| 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 | 44.1 | Very low | 80.8 | Confident | 240 Ų | 240 | 104.7 Ų | 104.7 | 100% | 1.182 | 52% | 0.519 | S | S | * | . | 0 | 121.9 | 0 | -80.4 | -172.4 | -152.7 | 0 | 0 | 105.4 | |||||
| 2 | D | 67 | Low | 81.3 | Confident | 132 Ų | 132 | 106.5 Ų | 106.5 | 71% | 0.706 | 53% | 0.525 | S | S | * | . | trans | -69.7 | 130.2 | 179.1 | -61.8 | -20.9 | 0 | 0 | 0 | 109 | ||||
| 3 | W | 85.9 | Confident | 81.8 | Confident | 49 Ų | 49 | 99.1 Ų | 99.1 | 19% | 0.186 | 49% | 0.489 | C | S | . | . | trans | -59.7 | 141.2 | 174.3 | 179.2 | 95.7 | 0 | 0 | 0 | 110.1 | P5 D43 N46 Y47 F50 F88 | W3-P5 HydrophobicContact CH2-CB 3.68Å; W3-P5 HydrophobicContact CH2-CG 4.49Å; W3-P5 HydrophobicContact CZ2-CB 4.46Å; W3-P5 HydrophobicContact CZ3-CB 3.99Å; W3-P5 HydrophobicContact CZ3-CG 4.32Å; W3-D43 PolarHBondContact NE1-OD1 3.38Å; W3-N46 VanDerWaalsContact CD1-ND2 3.33Å; W3-N46 HydrophobicContact CD2-CB 3.69Å; W3-N46 HydrophobicContact CE3-CB 4.11Å; W3-N46 HydrophobicContact CG-CB 4.26Å; W3-N46 HydrophobicContact CH2-CB 3.86Å; W3-N46 HydrophobicContact CZ2-CB 3.42Å; W3-N46 VanDerWaalsContact CZ2-CB 3.42Å; W3-N46 HydrophobicContact CZ3-CB 4.19Å; W3-N46 PolarHBondContact NE1-ND2 2.99Å; W3-Y47 AromaticContact CH2-CD1 3.94Å; W3-Y47 HydrophobicContact CH2-CD1 3.94Å; W3-Y47 HydrophobicContact CH2-CD2 4.13Å; W3-Y47 HydrophobicContact CH2-CE1 4.12Å; W3-Y47 HydrophobicContact CH2-CE2 4.29Å; W3-Y47 AromaticContact CH2-CG 3.94Å; W3-Y47 HydrophobicContact CH2-CG 3.94Å; W3-Y47 HydrophobicContact CZ2-CD1 4.31Å; W3-Y47 AromaticContact CZ2-CD2 3.78Å; W3-Y47 HydrophobicContact CZ2-CD2 3.78Å; W3-Y47 HydrophobicContact CZ2-CE1 4.24Å; W3-Y47 AromaticContact CZ2-CE2 3.69Å; W3-Y47 HydrophobicContact CZ2-CE2 3.69Å; W3-Y47 HydrophobicContact CZ2-CG 4.08Å; W3-Y47 AromaticContact CZ2-CZ 3.92Å; W3-F50 HydrophobicContact CH2-CB 4.29Å; W3-F50 HydrophobicContact CZ3-CB 3.76Å; W3-F50 AromaticContact CZ3-CD2 3.87Å; W3-F50 HydrophobicContact CZ3-CD2 3.87Å; W3-F50 AromaticContact CZ3-CG 3.96Å; W3-F50 HydrophobicContact CZ3-CG 3.96Å; W3-F88 HydrophobicContact CD2-CE1 4.32Å; W3-F88 AromaticContact CE3-CE1 3.76Å; W3-F88 HydrophobicContact CE3-CE1 3.76Å; W3-F88 AromaticContact CE3-CZ 3.82Å; W3-F88 HydrophobicContact CE3-CZ 3.82Å; W3-F88 HydrophobicContact CZ3-CE1 4.3Å; W3-F88 HydrophobicContact CZ3-CZ 4.46Å | ||
| 4 | Q | 84.9 | Confident | 82.4 | Confident | 125 Ų | 125 | 93.6 Ų | 93.6 | 58% | 0.584 | 46% | 0.463 | S | S | * | . | trans | -133.4 | 137.7 | 177.4 | -69.5 | -67.9 | -27.8 | 0 | 0 | 109.1 | ||||
| 5 | P | 88.3 | Confident | 82.8 | Confident | 28 Ų | 28 | 94.5 Ų | 94.5 | 18% | 0.182 | 47% | 0.465 | C | S | . | . | trans | -70.5 | 144.5 | 178.3 | 30.1 | -34.6 | 0 | 0 | 0 | 110.9 | W3 L10 Y47 F50 | W3-P5 HydrophobicContact CH2-CB 3.68Å; W3-P5 HydrophobicContact CH2-CG 4.49Å; W3-P5 HydrophobicContact CZ2-CB 4.46Å; W3-P5 HydrophobicContact CZ3-CB 3.99Å; W3-P5 HydrophobicContact CZ3-CG 4.32Å; P5-L10 HydrophobicContact CB-CB 4.38Å; P5-L10 HydrophobicContact CG-CD2 4.46Å; P5-Y47 HydrophobicContact CB-CD1 4.05Å; P5-Y47 HydrophobicContact CB-CE1 3.59Å; P5-F50 HydrophobicContact CG-CD1 4.17Å; P5-F50 HydrophobicContact CG-CD2 4.22Å; P5-F50 HydrophobicContact CG-CE1 3.8Å; P5-F50 HydrophobicContact CG-CE2 3.83Å; P5-F50 HydrophobicContact CG-CG 4.38Å; P5-F50 HydrophobicContact CG-CZ 3.62Å | ||
| 6 | D | 89.8 | Confident | 83.2 | Confident | 92 Ų | 92 | 89.3 Ų | 89.3 | 49% | 0.492 | 44% | 0.44 | S | S | . | . | trans | -76.6 | 134.8 | 160.7 | 174.5 | 78.1 | 0 | 0 | 0 | 109.4 | Q8 G9 L10 Y47 | D6-Q8 VanDerWaalsContact C-N 3.29Å; D6-Q8 PolarHBondContact O-N 2.9Å; D6-Q8 WeakPolarHBondContact OD2-CA 3.3Å; D6-Q8 VanDerWaalsContact OD2-CB 3.25Å; D6-Q8 WeakPolarHBondContact OD2-CB 3.44Å; D6-Q8 PolarHBondContact OD2-N 3.21Å; D6-G9 PolarHBondContact O-N 3.15Å; D6-G9 PolarHBondContact OD2-N 2.91Å; D6-L10 WeakPolarHBondContact O-CB 3.06Å; D6-L10 PolarHBondContact O-N 3.44Å; D6-Y47 WeakPolarHBondContact CB-OH 3.39Å; D6-Y47 PolarHBondContact N-OH 3.08Å | ||
| 7 | E | 85.1 | Confident | 83.6 | Confident | 172 Ų | 172 | 84.2 Ų | 84.2 | 80% | 0.804 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61.7 | -37 | -175.7 | -74.2 | -169.5 | 167.1 | 0 | 0 | 112.4 | Q11 | E7-Q11 WeakPolarHBondContact O-CB 3.47Å; E7-Q11 PolarHBondContact O-N 3.46Å |
| 8 | Q | 84.1 | Confident | 83.8 | Confident | 134 Ų | 134 | 84.6 Ų | 84.6 | 63% | 0.626 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -70.9 | -41.5 | 179.3 | -168.2 | 180 | 13 | 0 | 0 | 110.7 | D6 Q11 Q12 | D6-Q8 VanDerWaalsContact C-N 3.29Å; D6-Q8 PolarHBondContact O-N 2.9Å; D6-Q8 WeakPolarHBondContact OD2-CA 3.3Å; D6-Q8 VanDerWaalsContact OD2-CB 3.25Å; D6-Q8 WeakPolarHBondContact OD2-CB 3.44Å; D6-Q8 PolarHBondContact OD2-N 3.21Å; Q8-Q11 PolarHBondContact O-N 2.95Å; Q8-Q12 WeakPolarHBondContact O-CG 3.35Å; Q8-Q12 PolarHBondContact O-N 3.23Å |
| 9 | G | 84.1 | Confident | 84 | Confident | 17 Ų | 17 | 82.6 Ų | 82.6 | 18% | 0.175 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.4 | -46.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D6 Q11 Q12 V13 | D6-G9 PolarHBondContact O-N 3.15Å; D6-G9 PolarHBondContact OD2-N 2.91Å; G9-Q11 VanDerWaalsContact C-N 3.34Å; G9-Q11 PolarHBondContact O-N 3.27Å; G9-Q12 PolarHBondContact O-N 2.8Å; G9-V13 WeakPolarHBondContact O-CG2 3.43Å; G9-V13 PolarHBondContact O-N 2.92Å; G9-V13 VanDerWaalsContact O-N 3.07Å |
| 10 | L | 88.1 | Confident | 84.1 | Confident | 23 Ų | 23 | 79.8 Ų | 79.8 | 12% | 0.12 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 179 | -176.6 | 61.5 | 0 | 0 | 0 | 111.6 | P5 D6 Q12 V13 L14 Y47 F50 V51 L55 | P5-L10 HydrophobicContact CB-CB 4.38Å; P5-L10 HydrophobicContact CG-CD2 4.46Å; D6-L10 WeakPolarHBondContact O-CB 3.06Å; D6-L10 PolarHBondContact O-N 3.44Å; L10-Q12 VanDerWaalsContact C-N 3.3Å; L10-Q12 PolarHBondContact O-N 2.83Å; L10-V13 PolarHBondContact O-N 3Å; L10-L14 HydrophobicContact CD1-CG 4.48Å; L10-L14 HydrophobicContact CG-CD1 4.17Å; L10-L14 WeakPolarHBondContact O-CG 3.35Å; L10-L14 PolarHBondContact O-N 3.26Å; L10-Y47 HydrophobicContact CB-CD1 4.27Å; L10-Y47 HydrophobicContact CB-CE1 4.14Å; L10-Y47 HydrophobicContact CD1-CD1 4.19Å; L10-F50 HydrophobicContact CD1-CD1 4.16Å; L10-F50 HydrophobicContact CD1-CE1 4.41Å; L10-F50 HydrophobicContact CD2-CE1 4.07Å; L10-V51 HydrophobicContact CD1-CG2 3.73Å; L10-L55 HydrophobicContact CD1-CD2 4.46Å |
| 11 | Q | 87.5 | Confident | 84.1 | Confident | 140 Ų | 140 | 80.1 Ų | 80.1 | 65% | 0.654 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.2 | -36.1 | 178 | -166.3 | 174.6 | 15.6 | 0 | 0 | 112.4 | E7 Q8 G9 Q15 | E7-Q11 WeakPolarHBondContact O-CB 3.47Å; E7-Q11 PolarHBondContact O-N 3.46Å; Q8-Q11 PolarHBondContact O-N 2.95Å; G9-Q11 VanDerWaalsContact C-N 3.34Å; G9-Q11 PolarHBondContact O-N 3.27Å; Q11-Q15 WeakPolarHBondContact O-CB 2.98Å; Q11-Q15 PolarHBondContact O-N 3.37Å |
| 12 | Q | 86.4 | Confident | 86.2 | Confident | 126 Ų | 126 | 70.1 Ų | 70.1 | 59% | 0.589 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -67.5 | -41.8 | 175.5 | -71 | 179.1 | 13.4 | 0 | 0 | 112.3 | Q8 G9 L10 Q15 L16 | Q8-Q12 WeakPolarHBondContact O-CG 3.35Å; Q8-Q12 PolarHBondContact O-N 3.23Å; G9-Q12 PolarHBondContact O-N 2.8Å; L10-Q12 VanDerWaalsContact C-N 3.3Å; L10-Q12 PolarHBondContact O-N 2.83Å; Q12-Q15 PolarHBondContact O-N 2.83Å; Q12-L16 PolarHBondContact O-N 3.11Å |
| 13 | V | 88.7 | Confident | 86.9 | Confident | 10 Ų | 10 | 69.8 Ų | 69.8 | 6% | 0.061 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 176.3 | 176.8 | 0 | 0 | 0 | 0 | 110.8 | G9 L10 Q15 L16 L17 F44 Y47 L48 | G9-V13 WeakPolarHBondContact O-CG2 3.43Å; G9-V13 PolarHBondContact O-N 2.92Å; G9-V13 VanDerWaalsContact O-N 3.07Å; L10-V13 PolarHBondContact O-N 3Å; V13-Q15 PolarHBondContact O-N 3.44Å; V13-L16 WeakPolarHBondContact O-CB 3.48Å; V13-L16 PolarHBondContact O-N 3.45Å; V13-L17 HydrophobicContact CG1-CD1 4.13Å; V13-L17 HydrophobicContact CG1-CG 4.45Å; V13-L17 WeakPolarHBondContact O-CG 3.49Å; V13-L17 PolarHBondContact O-N 3.07Å; V13-F44 HydrophobicContact CG1-CE2 4.18Å; V13-F44 HydrophobicContact CG2-CD2 4.11Å; V13-F44 HydrophobicContact CG2-CE2 3.91Å; V13-Y47 HydrophobicContact CG2-CD1 4.38Å; V13-Y47 HydrophobicContact CG2-CG 4.14Å; V13-L48 HydrophobicContact CG1-CD2 4.31Å |
| 14 | L | 89.6 | Confident | 87 | Confident | 22 Ų | 22 | 71.5 Ų | 71.5 | 12% | 0.115 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 176.7 | -70.5 | 173.9 | 0 | 0 | 0 | 112.5 | L10 L16 L17 K18 V51 L55 E58 | L10-L14 HydrophobicContact CD1-CG 4.48Å; L10-L14 HydrophobicContact CG-CD1 4.17Å; L10-L14 WeakPolarHBondContact O-CG 3.35Å; L10-L14 PolarHBondContact O-N 3.26Å; L14-L16 VanDerWaalsContact C-N 3.31Å; L14-L16 PolarHBondContact O-N 3.05Å; L14-L17 PolarHBondContact O-N 3.38Å; L14-K18 WeakPolarHBondContact O-CG 3.34Å; L14-K18 PolarHBondContact O-N 2.77Å; L14-V51 HydrophobicContact CD2-CG1 4.19Å; L14-V51 HydrophobicContact CD2-CG2 4.1Å; L14-L55 HydrophobicContact CD1-CD2 3.86Å; L14-L55 HydrophobicContact CD2-CD2 3.76Å; L14-L55 HydrophobicContact CG-CD2 4.32Å; L14-E58 HydrophobicContact CD2-CG 3.85Å |
| 15 | Q | 88.7 | Confident | 86.9 | Confident | 107 Ų | 107 | 69.7 Ų | 69.7 | 50% | 0.5 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 174.7 | -172.8 | 61 | 50.9 | 0 | 0 | 111.1 | Q11 Q12 V13 L17 K18 D19 | Q11-Q15 WeakPolarHBondContact O-CB 2.98Å; Q11-Q15 PolarHBondContact O-N 3.37Å; Q12-Q15 PolarHBondContact O-N 2.83Å; V13-Q15 PolarHBondContact O-N 3.44Å; Q15-L17 PolarHBondContact O-N 2.92Å; Q15-K18 PolarHBondContact O-N 3.32Å; Q15-D19 PolarHBondContact NE2-OD1 3.34Å; Q15-D19 WeakPolarHBondContact O-CB 3.31Å; Q15-D19 PolarHBondContact O-N 3.26Å |
| 16 | L | 89.5 | Confident | 86.8 | Confident | 11 Ų | 11 | 71.2 Ų | 71.2 | 6% | 0.058 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 177.3 | -175.5 | 69.1 | 0 | 0 | 0 | 112.4 | Q12 V13 L14 K18 D19 S20 V31 K34 L35 L38 F44 | Q12-L16 PolarHBondContact O-N 3.11Å; V13-L16 WeakPolarHBondContact O-CB 3.48Å; V13-L16 PolarHBondContact O-N 3.45Å; L14-L16 VanDerWaalsContact C-N 3.31Å; L14-L16 PolarHBondContact O-N 3.05Å; L16-K18 VanDerWaalsContact C-N 3.34Å; L16-D19 PolarHBondContact O-N 3.13Å; L16-S20 WeakPolarHBondContact O-CB 3.48Å; L16-S20 PolarHBondContact O-N 3.43Å; L16-V31 HydrophobicContact CD1-CB 4.3Å; L16-V31 HydrophobicContact CD1-CG1 3.99Å; L16-V31 HydrophobicContact CD1-CG2 4.18Å; L16-K34 HydrophobicContact CD1-CB 3.88Å; L16-K34 HydrophobicContact CD1-CD 4.1Å; L16-L35 HydrophobicContact CD2-CD2 3.54Å; L16-L35 HydrophobicContact CD2-CG 4.03Å; L16-L35 HydrophobicContact CG-CD2 4.29Å; L16-L35 HydrophobicContact CG-CG 4.49Å; L16-L38 HydrophobicContact CD2-CD1 3.58Å; L16-F44 HydrophobicContact CD2-CZ 4.39Å |
| 17 | L | 89.3 | Confident | 86.5 | Confident | 3 Ų | 3 | 68.6 Ų | 68.6 | 2% | 0.016 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.2 | -31.8 | 176.1 | -68.4 | 171.1 | 0 | 0 | 0 | 112.7 | V13 L14 Q15 S20 Q21 V51 T62 L65 I69 | V13-L17 HydrophobicContact CG1-CD1 4.13Å; V13-L17 HydrophobicContact CG1-CG 4.45Å; V13-L17 WeakPolarHBondContact O-CG 3.49Å; V13-L17 PolarHBondContact O-N 3.07Å; L14-L17 PolarHBondContact O-N 3.38Å; Q15-L17 PolarHBondContact O-N 2.92Å; L17-S20 PolarHBondContact O-OG 2.86Å; L17-Q21 WeakPolarHBondContact O-CG 3.32Å; L17-V51 HydrophobicContact CD1-CG1 3.89Å; L17-T62 HydrophobicContact CB-CG2 4.01Å; L17-T62 HydrophobicContact CD1-CG2 4.28Å; L17-L65 HydrophobicContact CD2-CG 4.38Å; L17-I69 HydrophobicContact CD2-CD1 3.61Å |
| 18 | K | 87.9 | Confident | 86.3 | Confident | 91 Ų | 91 | 64.2 Ų | 64.2 | 40% | 0.396 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -73.9 | -40.5 | 173.8 | -73.1 | 174.2 | -178.3 | 171.7 | 0 | 111.1 | L14 Q15 L16 S20 Q21 E58 | L14-K18 WeakPolarHBondContact O-CG 3.34Å; L14-K18 PolarHBondContact O-N 2.77Å; Q15-K18 PolarHBondContact O-N 3.32Å; L16-K18 VanDerWaalsContact C-N 3.34Å; K18-S20 VanDerWaalsContact C-N 3.28Å; K18-S20 PolarHBondContact O-N 2.9Å; K18-Q21 PolarHBondContact O-N 3.04Å; K18-E58 WeakPolarHBondContact CE-OE2 3.26Å; K18-E58 IonicContact NZ-OE1 3.37Å; K18-E58 PolarHBondContact NZ-OE1 3.14Å; K18-E58 IonicContact NZ-OE2 2.88Å; K18-E58 PolarHBondContact NZ-OE2 3.22Å |
| 19 | D | 87.3 | Confident | 86.3 | Confident | 47 Ų | 47 | 66.3 Ų | 66.3 | 25% | 0.251 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.9 | -32.4 | 176.2 | -69 | -10.3 | 0 | 0 | 0 | 111.8 | Q15 L16 Q21 S22 T27 V31 | Q15-D19 PolarHBondContact NE2-OD1 3.34Å; Q15-D19 WeakPolarHBondContact O-CB 3.31Å; Q15-D19 PolarHBondContact O-N 3.26Å; L16-D19 PolarHBondContact O-N 3.13Å; D19-Q21 VanDerWaalsContact C-N 3.26Å; D19-Q21 PolarHBondContact O-N 3.42Å; D19-S22 WeakPolarHBondContact O-CB 3.09Å; D19-S22 PolarHBondContact O-N 2.95Å; D19-S22 VanDerWaalsContact O-N 3.13Å; D19-T27 HydrophobicContact CB-CG2 4.02Å; D19-V31 HydrophobicContact CB-CG2 3.53Å |
| 20 | S | 85.4 | Confident | 86.3 | Confident | 27 Ų | 27 | 70.1 Ų | 70.1 | 19% | 0.189 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -69.7 | -21.6 | 178 | 69.8 | 0 | 0 | 0 | 0 | 113.7 | L16 L17 K18 S22 L65 | L16-S20 WeakPolarHBondContact O-CB 3.48Å; L16-S20 PolarHBondContact O-N 3.43Å; L17-S20 PolarHBondContact O-OG 2.86Å; K18-S20 VanDerWaalsContact C-N 3.28Å; K18-S20 PolarHBondContact O-N 2.9Å; S20-S22 VanDerWaalsContact C-N 3.31Å; S20-L65 WeakPolarHBondContact OG-CD2 3.34Å |
| 21 | Q | 85.3 | Confident | 86.3 | Confident | 87 Ų | 87 | 69.2 Ų | 69.2 | 41% | 0.407 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -3.4 | 173.5 | -63.6 | 171.9 | 1.7 | 0 | 0 | 112.7 | L17 K18 D19 T62 L65 | L17-Q21 WeakPolarHBondContact O-CG 3.32Å; K18-Q21 PolarHBondContact O-N 3.04Å; D19-Q21 VanDerWaalsContact C-N 3.26Å; D19-Q21 PolarHBondContact O-N 3.42Å; Q21-T62 PolarHBondContact NE2-OG1 3.44Å; Q21-L65 HydrophobicContact CG-CD2 3.69Å |
| 22 | S | 86.9 | Confident | 86 | Confident | 30 Ų | 30 | 68.2 Ų | 68.2 | 21% | 0.21 | 35% | 0.354 | C | S | . | . | trans | -64.5 | 136 | 179.2 | -178.3 | 0 | 0 | 0 | 0 | 111.2 | D19 S20 N24 Q28 | D19-S22 WeakPolarHBondContact O-CB 3.09Å; D19-S22 PolarHBondContact O-N 2.95Å; D19-S22 VanDerWaalsContact O-N 3.13Å; S20-S22 VanDerWaalsContact C-N 3.31Å; S22-N24 PolarHBondContact O-N 3.39Å; S22-N24 WeakPolarHBondContact OG-CB 3.45Å; S22-N24 PolarHBondContact OG-N 2.92Å; S22-Q28 PolarHBondContact O-NE2 3.48Å | ||
| 23 | P | 81.3 | Confident | 85.9 | Confident | 125 Ų | 125 | 66.6 Ų | 66.6 | 81% | 0.812 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -72.8 | -4.5 | 173.5 | 31.1 | -35.4 | 0 | 0 | 0 | 112.8 | ||
| 24 | N | 88.8 | Confident | 85.7 | Confident | 85 Ų | 85 | 71 Ų | 71 | 46% | 0.455 | 37% | 0.368 | S | S | . | . | trans | -82.8 | 116.2 | -178.9 | -174 | -32.1 | 0 | 0 | 0 | 111.7 | S22 A26 T27 Q28 | S22-N24 PolarHBondContact O-N 3.39Å; S22-N24 WeakPolarHBondContact OG-CB 3.45Å; S22-N24 PolarHBondContact OG-N 2.92Å; N24-A26 VanDerWaalsContact C-N 3.28Å; N24-A26 PolarHBondContact O-N 3.09Å; N24-A26 WeakPolarHBondContact OD1-CB 3.46Å; N24-A26 PolarHBondContact OD1-N 3.31Å; N24-T27 WeakPolarHBondContact O-CB 3.47Å; N24-T27 PolarHBondContact O-N 2.98Å; N24-T27 VanDerWaalsContact O-N 3.09Å; N24-Q28 PolarHBondContact O-N 3.08Å | ||
| 25 | T | 83.9 | Confident | 85.5 | Confident | 87 Ų | 87 | 71.1 Ų | 71.1 | 53% | 0.534 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57.3 | -34.9 | 179.6 | -44.2 | 0 | 0 | 0 | 0 | 113.8 | Q28 R29 | T25-Q28 PolarHBondContact O-N 3.48Å; T25-R29 PolarHBondContact O-N 3.48Å; T25-R29 VanDerWaalsContact O-N 3.08Å |
| 26 | A | 85.4 | Confident | 85.1 | Confident | 59 Ų | 59 | 72.6 Ų | 72.6 | 49% | 0.488 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -69.1 | -39.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | N24 R29 I30 | N24-A26 VanDerWaalsContact C-N 3.28Å; N24-A26 PolarHBondContact O-N 3.09Å; N24-A26 WeakPolarHBondContact OD1-CB 3.46Å; N24-A26 PolarHBondContact OD1-N 3.31Å; A26-R29 PolarHBondContact O-N 2.92Å; A26-I30 WeakPolarHBondContact O-CG1 3.37Å; A26-I30 PolarHBondContact O-N 3.5Å |
| 27 | T | 83.4 | Confident | 84.8 | Confident | 38 Ų | 38 | 77.8 Ų | 77.8 | 23% | 0.233 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 173.7 | -55 | 0 | 0 | 0 | 0 | 110.8 | D19 N24 R29 I30 V31 | D19-T27 HydrophobicContact CB-CG2 4.02Å; N24-T27 WeakPolarHBondContact O-CB 3.47Å; N24-T27 PolarHBondContact O-N 2.98Å; N24-T27 VanDerWaalsContact O-N 3.09Å; T27-R29 VanDerWaalsContact C-N 3.34Å; T27-R29 PolarHBondContact O-N 3.07Å; T27-I30 PolarHBondContact O-N 3.47Å; T27-V31 HydrophobicContact CG2-CG2 4.36Å; T27-V31 WeakPolarHBondContact O-CB 3.49Å; T27-V31 VanDerWaalsContact O-CG2 3.24Å; T27-V31 WeakPolarHBondContact O-CG2 3.47Å; T27-V31 PolarHBondContact O-N 3.2Å |
| 28 | Q | 81.6 | Confident | 84.5 | Confident | 80 Ų | 80 | 80.6 Ų | 80.6 | 37% | 0.374 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.2 | -39.8 | 177.7 | -70.1 | 178.4 | -4.7 | 0 | 0 | 113 | S22 N24 T25 V31 Q32 | S22-Q28 PolarHBondContact O-NE2 3.48Å; N24-Q28 PolarHBondContact O-N 3.08Å; T25-Q28 PolarHBondContact O-N 3.48Å; Q28-V31 PolarHBondContact O-N 2.93Å; Q28-Q32 WeakPolarHBondContact O-CG 3.44Å; Q28-Q32 PolarHBondContact O-N 2.94Å |
| 29 | R | 82.3 | Confident | 84.1 | Confident | 177 Ų | 177 | 78 Ų | 78 | 67% | 0.668 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.8 | -47 | 174.4 | -75 | -177.3 | -176.1 | 177.5 | 1.5 | 112.1 | T25 A26 T27 V31 Q32 D33 | T25-R29 PolarHBondContact O-N 3.48Å; T25-R29 VanDerWaalsContact O-N 3.08Å; A26-R29 PolarHBondContact O-N 2.92Å; T27-R29 VanDerWaalsContact C-N 3.34Å; T27-R29 PolarHBondContact O-N 3.07Å; R29-V31 VanDerWaalsContact C-N 3.27Å; R29-V31 PolarHBondContact O-N 3.09Å; R29-Q32 PolarHBondContact O-N 3.43Å; R29-D33 PolarHBondContact O-N 3.27Å |
| 30 | I | 85.8 | Confident | 83.5 | Confident | 97 Ų | 97 | 83 Ų | 83 | 50% | 0.497 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 177.6 | -66.4 | 166.6 | 0 | 0 | 0 | 110.8 | A26 T27 D33 K34 | A26-I30 WeakPolarHBondContact O-CG1 3.37Å; A26-I30 PolarHBondContact O-N 3.5Å; T27-I30 PolarHBondContact O-N 3.47Å; I30-D33 PolarHBondContact O-N 3.26Å; I30-K34 HydrophobicContact CG2-CD 4.37Å; I30-K34 WeakPolarHBondContact O-CG 3.31Å; I30-K34 PolarHBondContact O-N 3.4Å |
| 31 | V | 86.7 | Confident | 83.3 | Confident | 5 Ų | 5 | 87.7 Ų | 87.7 | 3% | 0.03 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -63 | -45.6 | 175.9 | 166.3 | 0 | 0 | 0 | 0 | 111.1 | L16 D19 T27 Q28 R29 D33 K34 L35 | L16-V31 HydrophobicContact CD1-CB 4.3Å; L16-V31 HydrophobicContact CD1-CG1 3.99Å; L16-V31 HydrophobicContact CD1-CG2 4.18Å; D19-V31 HydrophobicContact CB-CG2 3.53Å; T27-V31 HydrophobicContact CG2-CG2 4.36Å; T27-V31 WeakPolarHBondContact O-CB 3.49Å; T27-V31 VanDerWaalsContact O-CG2 3.24Å; T27-V31 WeakPolarHBondContact O-CG2 3.47Å; T27-V31 PolarHBondContact O-N 3.2Å; Q28-V31 PolarHBondContact O-N 2.93Å; R29-V31 VanDerWaalsContact C-N 3.27Å; R29-V31 PolarHBondContact O-N 3.09Å; V31-D33 VanDerWaalsContact C-N 3.34Å; V31-D33 PolarHBondContact O-N 3.45Å; V31-K34 PolarHBondContact O-N 3.33Å; V31-L35 HydrophobicContact CG1-CD1 3.82Å; V31-L35 HydrophobicContact CG1-CG 4.28Å; V31-L35 WeakPolarHBondContact O-CB 3.36Å; V31-L35 WeakPolarHBondContact O-CG 3.25Å; V31-L35 PolarHBondContact O-N 2.97Å |
| 32 | Q | 82 | Confident | 82.8 | Confident | 119 Ų | 119 | 86 Ų | 86 | 56% | 0.556 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -60.1 | -43.2 | 177.8 | -78.4 | -175.1 | -3.6 | 0 | 0 | 112.1 | Q28 R29 L35 K36 | Q28-Q32 WeakPolarHBondContact O-CG 3.44Å; Q28-Q32 PolarHBondContact O-N 2.94Å; R29-Q32 PolarHBondContact O-N 3.43Å; Q32-L35 PolarHBondContact O-N 3.4Å; Q32-K36 WeakPolarHBondContact O-CG 3.29Å; Q32-K36 PolarHBondContact O-N 3.22Å |
| 33 | D | 84 | Confident | 82.8 | Confident | 92 Ų | 92 | 88 Ų | 88 | 49% | 0.492 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 177.3 | -71.3 | -23.5 | 0 | 0 | 0 | 111.7 | R29 I30 V31 K36 Q37 | R29-D33 PolarHBondContact O-N 3.27Å; I30-D33 PolarHBondContact O-N 3.26Å; V31-D33 VanDerWaalsContact C-N 3.34Å; V31-D33 PolarHBondContact O-N 3.45Å; D33-K36 PolarHBondContact O-N 3.04Å; D33-Q37 WeakPolarHBondContact O-CG 3.33Å; D33-Q37 PolarHBondContact O-N 3.11Å; D33-Q37 VanDerWaalsContact O-N 3.16Å |
| 34 | K | 85.4 | Confident | 83.2 | Confident | 102 Ų | 102 | 82.5 Ų | 82.5 | 44% | 0.443 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 174.8 | -76.8 | -177.9 | 178.9 | -178.6 | 0 | 112.4 | L16 I30 V31 Q37 L38 | L16-K34 HydrophobicContact CD1-CB 3.88Å; L16-K34 HydrophobicContact CD1-CD 4.1Å; I30-K34 HydrophobicContact CG2-CD 4.37Å; I30-K34 WeakPolarHBondContact O-CG 3.31Å; I30-K34 PolarHBondContact O-N 3.4Å; V31-K34 PolarHBondContact O-N 3.33Å; K34-Q37 PolarHBondContact O-N 3.28Å; K34-L38 WeakPolarHBondContact O-CG 3.41Å; K34-L38 PolarHBondContact O-N 3.07Å |
| 35 | L | 83.7 | Confident | 83.4 | Confident | 25 Ų | 25 | 78.5 Ų | 78.5 | 13% | 0.131 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 175.8 | -76.6 | 170.5 | 0 | 0 | 0 | 111.1 | L16 V31 Q32 Q37 L38 N39 F44 I69 | L16-L35 HydrophobicContact CD2-CD2 3.54Å; L16-L35 HydrophobicContact CD2-CG 4.03Å; L16-L35 HydrophobicContact CG-CD2 4.29Å; L16-L35 HydrophobicContact CG-CG 4.49Å; V31-L35 HydrophobicContact CG1-CD1 3.82Å; V31-L35 HydrophobicContact CG1-CG 4.28Å; V31-L35 WeakPolarHBondContact O-CB 3.36Å; V31-L35 WeakPolarHBondContact O-CG 3.25Å; V31-L35 PolarHBondContact O-N 2.97Å; Q32-L35 PolarHBondContact O-N 3.4Å; L35-Q37 VanDerWaalsContact C-N 3.3Å; L35-Q37 PolarHBondContact O-N 3.18Å; L35-L38 PolarHBondContact O-N 3.29Å; L35-N39 VanDerWaalsContact O-CB 3.31Å; L35-N39 WeakPolarHBondContact O-CB 3.42Å; L35-N39 PolarHBondContact O-N 3.16Å; L35-N39 PolarHBondContact O-OD1 3.01Å; L35-F44 HydrophobicContact CD2-CE1 4.19Å; L35-F44 HydrophobicContact CD2-CZ 3.84Å; L35-I69 HydrophobicContact CD1-CD1 4.28Å; L35-I69 HydrophobicContact CD2-CD1 4.2Å; L35-I69 HydrophobicContact CD2-CG2 4.07Å |
| 36 | K | 81.3 | Confident | 83.8 | Confident | 137 Ų | 137 | 74.7 Ų | 74.7 | 60% | 0.596 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59 | -39.5 | 175.4 | -75.5 | 177.3 | -179.3 | 175.7 | 0 | 112.8 | Q32 D33 | Q32-K36 WeakPolarHBondContact O-CG 3.29Å; Q32-K36 PolarHBondContact O-N 3.22Å; D33-K36 PolarHBondContact O-N 3.04Å |
| 37 | Q | 83.3 | Confident | 84.3 | Confident | 121 Ų | 121 | 73.1 Ų | 73.1 | 57% | 0.565 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -68.6 | -46.4 | 176.4 | -69.4 | 174.2 | 8.3 | 0 | 0 | 111.7 | D33 K34 L35 N39 Q40 | D33-Q37 WeakPolarHBondContact O-CG 3.33Å; D33-Q37 PolarHBondContact O-N 3.11Å; D33-Q37 VanDerWaalsContact O-N 3.16Å; K34-Q37 PolarHBondContact O-N 3.28Å; L35-Q37 VanDerWaalsContact C-N 3.3Å; L35-Q37 PolarHBondContact O-N 3.18Å; Q37-N39 VanDerWaalsContact C-N 3.32Å; Q37-N39 PolarHBondContact O-N 3.07Å; Q37-Q40 WeakPolarHBondContact O-CB 3.46Å; Q37-Q40 PolarHBondContact O-N 2.97Å |
| 38 | L | 83.3 | Confident | 84.8 | Confident | 61 Ų | 61 | 71.3 Ų | 71.3 | 32% | 0.319 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -68.9 | -30.4 | -178 | -71.2 | 171.9 | 0 | 0 | 0 | 112.9 | L16 K34 L35 Q40 F41 F44 | L16-L38 HydrophobicContact CD2-CD1 3.58Å; K34-L38 WeakPolarHBondContact O-CG 3.41Å; K34-L38 PolarHBondContact O-N 3.07Å; L35-L38 PolarHBondContact O-N 3.29Å; L38-Q40 PolarHBondContact O-N 3.44Å; L38-Q40 VanDerWaalsContact O-N 3.12Å; L38-F41 PolarHBondContact O-N 3.16Å; L38-F44 HydrophobicContact CB-CD1 3.92Å; L38-F44 HydrophobicContact CB-CD2 4.04Å; L38-F44 HydrophobicContact CB-CE1 4.05Å; L38-F44 HydrophobicContact CB-CE2 4.18Å; L38-F44 HydrophobicContact CB-CG 3.92Å; L38-F44 HydrophobicContact CB-CZ 4.18Å; L38-F44 HydrophobicContact CD1-CD2 4.35Å; L38-F44 HydrophobicContact CD1-CE2 3.99Å; L38-F44 HydrophobicContact CD1-CZ 4.34Å; L38-F44 WeakPolarHBondContact O-CB 3.28Å |
| 39 | N | 78.6 | Confident | 85.5 | Confident | 38 Ų | 38 | 67.5 Ų | 67.5 | 20% | 0.203 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -17.8 | 175.6 | -77.2 | -4.3 | 0 | 0 | 0 | 113.8 | L35 Q37 F41 F44 N73 | L35-N39 VanDerWaalsContact O-CB 3.31Å; L35-N39 WeakPolarHBondContact O-CB 3.42Å; L35-N39 PolarHBondContact O-N 3.16Å; L35-N39 PolarHBondContact O-OD1 3.01Å; Q37-N39 VanDerWaalsContact C-N 3.32Å; Q37-N39 PolarHBondContact O-N 3.07Å; N39-F41 PolarHBondContact O-N 3.35Å; N39-F44 WeakPolarHBondContact OD1-CD1 3.39Å; N39-F44 VanDerWaalsContact OD1-CE1 3.27Å; N39-F44 WeakPolarHBondContact OD1-CE1 3.18Å; N39-N73 VanDerWaalsContact CG-OD1 3.23Å; N39-N73 PolarHBondContact ND2-OD1 2.86Å; N39-N73 PolarHBondContact OD1-ND2 3.41Å; N39-N73 PolarHBondContact OD1-OD1 3.15Å |
| 40 | Q | 74.3 | Confident | 86.1 | Confident | 151 Ų | 151 | 60.1 Ų | 60.1 | 71% | 0.706 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -16.2 | 174.3 | -59.3 | 177.5 | 6.3 | 0 | 0 | 112.6 | Q37 L38 | Q37-Q40 WeakPolarHBondContact O-CB 3.46Å; Q37-Q40 PolarHBondContact O-N 2.97Å; L38-Q40 PolarHBondContact O-N 3.44Å; L38-Q40 VanDerWaalsContact O-N 3.12Å |
| 41 | F | 81.7 | Confident | 86.5 | Confident | 125 Ų | 125 | 55.5 Ų | 55.5 | 55% | 0.548 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -101.9 | 113.6 | -179.6 | -61.9 | -82.9 | 0 | 0 | 0 | 110 | L38 N39 D43 F44 | L38-F41 PolarHBondContact O-N 3.16Å; N39-F41 PolarHBondContact O-N 3.35Å; F41-D43 PolarHBondContact O-N 2.89Å; F41-D43 VanDerWaalsContact O-N 3.1Å; F41-F44 VanDerWaalsContact O-CB 3.25Å; F41-F44 WeakPolarHBondContact O-CB 3.4Å; F41-F44 PolarHBondContact O-N 3.02Å |
| 42 | P | 75.8 | Confident | 87 | Confident | 51 Ų | 51 | 55.3 Ų | 55.3 | 33% | 0.331 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.8 | -30.3 | -178.3 | -28.1 | 35.6 | 0 | 0 | 0 | 114.5 | F44 N45 P82 V85 | P42-F44 PolarHBondContact O-N 3.35Å; P42-N45 WeakPolarHBondContact O-CB 3.47Å; P42-N45 PolarHBondContact O-N 2.96Å; P42-N45 PolarHBondContact O-ND2 3.5Å; P42-P82 VanDerWaalsContact CB-CD 3.42Å; P42-P82 HydrophobicContact CB-CG 3.6Å; P42-P82 HydrophobicContact CG-CG 3.81Å; P42-V85 HydrophobicContact CB-CG2 4.27Å |
| 43 | D | 86 | Confident | 87.6 | Confident | 72 Ų | 72 | 49.6 Ų | 49.6 | 39% | 0.385 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65 | -25.3 | 179 | -162.6 | 51.4 | 0 | 0 | 0 | 113.1 | W3 F41 N45 N46 Y47 | W3-D43 PolarHBondContact NE1-OD1 3.38Å; F41-D43 PolarHBondContact O-N 2.89Å; F41-D43 VanDerWaalsContact O-N 3.1Å; D43-N45 PolarHBondContact O-N 3.07Å; D43-N46 WeakPolarHBondContact O-CB 3.41Å; D43-N46 PolarHBondContact O-N 3.42Å; D43-N46 PolarHBondContact OD1-ND2 2.97Å; D43-N46 VanDerWaalsContact OD1-ND2 3.1Å; D43-Y47 WeakPolarHBondContact O-CD2 3.21Å; D43-Y47 PolarHBondContact O-N 2.89Å; D43-Y47 WeakPolarHBondContact OD2-CE2 3.38Å |
| 44 | F | 90.6 | Very high | 88 | Confident | 10 Ų | 10 | 49.9 Ų | 49.9 | 4% | 0.044 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.9 | -36.8 | 174.3 | 178.1 | -123.3 | 0 | 0 | 0 | 111.9 | V13 L16 L35 L38 N39 F41 P42 N46 Y47 L48 | V13-F44 HydrophobicContact CG1-CE2 4.18Å; V13-F44 HydrophobicContact CG2-CD2 4.11Å; V13-F44 HydrophobicContact CG2-CE2 3.91Å; L16-F44 HydrophobicContact CD2-CZ 4.39Å; L35-F44 HydrophobicContact CD2-CE1 4.19Å; L35-F44 HydrophobicContact CD2-CZ 3.84Å; L38-F44 HydrophobicContact CB-CD1 3.92Å; L38-F44 HydrophobicContact CB-CD2 4.04Å; L38-F44 HydrophobicContact CB-CE1 4.05Å; L38-F44 HydrophobicContact CB-CE2 4.18Å; L38-F44 HydrophobicContact CB-CG 3.92Å; L38-F44 HydrophobicContact CB-CZ 4.18Å; L38-F44 HydrophobicContact CD1-CD2 4.35Å; L38-F44 HydrophobicContact CD1-CE2 3.99Å; L38-F44 HydrophobicContact CD1-CZ 4.34Å; L38-F44 WeakPolarHBondContact O-CB 3.28Å; N39-F44 WeakPolarHBondContact OD1-CD1 3.39Å; N39-F44 VanDerWaalsContact OD1-CE1 3.27Å; N39-F44 WeakPolarHBondContact OD1-CE1 3.18Å; F41-F44 VanDerWaalsContact O-CB 3.25Å; F41-F44 WeakPolarHBondContact O-CB 3.4Å; F41-F44 PolarHBondContact O-N 3.02Å; P42-F44 PolarHBondContact O-N 3.35Å; F44-N46 VanDerWaalsContact C-N 3.27Å; F44-N46 PolarHBondContact O-N 3.38Å; F44-Y47 WeakPolarHBondContact O-CB 3.43Å; F44-Y47 PolarHBondContact O-N 3.3Å; F44-Y47 VanDerWaalsContact O-N 3.16Å; F44-L48 HydrophobicContact CD1-CD1 4.08Å; F44-L48 HydrophobicContact CE1-CD1 3.69Å; F44-L48 HydrophobicContact CE1-CD2 4.35Å; F44-L48 HydrophobicContact CE1-CG 4.18Å; F44-L48 HydrophobicContact CE2-CD2 4.15Å; F44-L48 HydrophobicContact CE2-CG 4.32Å; F44-L48 HydrophobicContact CZ-CD1 4.04Å; F44-L48 HydrophobicContact CZ-CD2 3.82Å; F44-L48 HydrophobicContact CZ-CG 4.06Å; F44-L48 PolarHBondContact O-N 3.12Å; F44-L48 VanDerWaalsContact O-N 3.13Å |
| 45 | N | 92.3 | Very high | 88.3 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.011 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.9 | -28.9 | 178.7 | -59.7 | -62.9 | 0 | 0 | 0 | 112.3 | P42 D43 L48 I49 L70 N73 F81 V85 I89 | P42-N45 WeakPolarHBondContact O-CB 3.47Å; P42-N45 PolarHBondContact O-N 2.96Å; P42-N45 PolarHBondContact O-ND2 3.5Å; D43-N45 PolarHBondContact O-N 3.07Å; N45-L48 PolarHBondContact O-N 3.41Å; N45-I49 PolarHBondContact O-N 2.93Å; N45-I49 VanDerWaalsContact O-N 3.12Å; N45-L70 HydrophobicContact CB-CD1 3.66Å; N45-N73 WeakPolarHBondContact OD1-CB 3.33Å; N45-N73 PolarHBondContact OD1-ND2 2.67Å; N45-F81 HydrophobicContact CB-CE2 4.16Å; N45-F81 HydrophobicContact CB-CZ 4.31Å; N45-F81 WeakPolarHBondContact ND2-CZ 3.39Å; N45-V85 HydrophobicContact CB-CG1 4.16Å; N45-I89 HydrophobicContact CB-CD1 4.15Å |
| 46 | N | 93.6 | Very high | 88.6 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.5 | -39.5 | 173 | -66.2 | -28.1 | 0 | 0 | 0 | 111.6 | W3 D43 F44 L48 I49 F50 V85 F88 | W3-N46 VanDerWaalsContact CD1-ND2 3.33Å; W3-N46 HydrophobicContact CD2-CB 3.69Å; W3-N46 HydrophobicContact CE3-CB 4.11Å; W3-N46 HydrophobicContact CG-CB 4.26Å; W3-N46 HydrophobicContact CH2-CB 3.86Å; W3-N46 HydrophobicContact CZ2-CB 3.42Å; W3-N46 VanDerWaalsContact CZ2-CB 3.42Å; W3-N46 HydrophobicContact CZ3-CB 4.19Å; W3-N46 PolarHBondContact NE1-ND2 2.99Å; D43-N46 WeakPolarHBondContact O-CB 3.41Å; D43-N46 PolarHBondContact O-N 3.42Å; D43-N46 PolarHBondContact OD1-ND2 2.97Å; D43-N46 VanDerWaalsContact OD1-ND2 3.1Å; F44-N46 VanDerWaalsContact C-N 3.27Å; F44-N46 PolarHBondContact O-N 3.38Å; N46-L48 VanDerWaalsContact C-N 3.35Å; N46-I49 VanDerWaalsContact O-CG2 3.26Å; N46-I49 WeakPolarHBondContact O-CG2 3.48Å; N46-F50 VanDerWaalsContact O-CB 3.23Å; N46-F50 WeakPolarHBondContact O-CB 3.36Å; N46-F50 PolarHBondContact O-N 3.03Å; N46-V85 WeakPolarHBondContact OD1-CG1 3.07Å; N46-F88 HydrophobicContact CB-CD1 4.17Å; N46-F88 HydrophobicContact CB-CE1 4.16Å; N46-F88 WeakPolarHBondContact OD1-CD1 3.35Å |
| 47 | Y | 93.9 | Very high | 89 | Confident | 25 Ų | 25 | 48.4 Ų | 48.4 | 10% | 0.098 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.4 | -41.4 | 173.6 | -74.4 | -86.5 | 0 | 0 | 0 | 111.9 | W3 P5 D6 L10 V13 D43 F44 F50 V51 | W3-Y47 AromaticContact CH2-CD1 3.94Å; W3-Y47 HydrophobicContact CH2-CD1 3.94Å; W3-Y47 HydrophobicContact CH2-CD2 4.13Å; W3-Y47 HydrophobicContact CH2-CE1 4.12Å; W3-Y47 HydrophobicContact CH2-CE2 4.29Å; W3-Y47 AromaticContact CH2-CG 3.94Å; W3-Y47 HydrophobicContact CH2-CG 3.94Å; W3-Y47 HydrophobicContact CZ2-CD1 4.31Å; W3-Y47 AromaticContact CZ2-CD2 3.78Å; W3-Y47 HydrophobicContact CZ2-CD2 3.78Å; W3-Y47 HydrophobicContact CZ2-CE1 4.24Å; W3-Y47 AromaticContact CZ2-CE2 3.69Å; W3-Y47 HydrophobicContact CZ2-CE2 3.69Å; W3-Y47 HydrophobicContact CZ2-CG 4.08Å; W3-Y47 AromaticContact CZ2-CZ 3.92Å; P5-Y47 HydrophobicContact CB-CD1 4.05Å; P5-Y47 HydrophobicContact CB-CE1 3.59Å; D6-Y47 WeakPolarHBondContact CB-OH 3.39Å; D6-Y47 PolarHBondContact N-OH 3.08Å; L10-Y47 HydrophobicContact CB-CD1 4.27Å; L10-Y47 HydrophobicContact CB-CE1 4.14Å; L10-Y47 HydrophobicContact CD1-CD1 4.19Å; V13-Y47 HydrophobicContact CG2-CD1 4.38Å; V13-Y47 HydrophobicContact CG2-CG 4.14Å; D43-Y47 WeakPolarHBondContact O-CD2 3.21Å; D43-Y47 PolarHBondContact O-N 2.89Å; D43-Y47 WeakPolarHBondContact OD2-CE2 3.38Å; F44-Y47 WeakPolarHBondContact O-CB 3.43Å; F44-Y47 PolarHBondContact O-N 3.3Å; F44-Y47 VanDerWaalsContact O-N 3.16Å; Y47-F50 PolarHBondContact O-N 3.48Å; Y47-V51 WeakPolarHBondContact O-CG2 3.39Å; Y47-V51 PolarHBondContact O-N 3.05Å |
| 48 | L | 94.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.1 | -48 | -179.8 | -65.3 | 175.8 | 0 | 0 | 0 | 112 | V13 F44 N45 N46 F50 V51 L52 S66 I69 L70 | V13-L48 HydrophobicContact CG1-CD2 4.31Å; F44-L48 HydrophobicContact CD1-CD1 4.08Å; F44-L48 HydrophobicContact CE1-CD1 3.69Å; F44-L48 HydrophobicContact CE1-CD2 4.35Å; F44-L48 HydrophobicContact CE1-CG 4.18Å; F44-L48 HydrophobicContact CE2-CD2 4.15Å; F44-L48 HydrophobicContact CE2-CG 4.32Å; F44-L48 HydrophobicContact CZ-CD1 4.04Å; F44-L48 HydrophobicContact CZ-CD2 3.82Å; F44-L48 HydrophobicContact CZ-CG 4.06Å; F44-L48 PolarHBondContact O-N 3.12Å; F44-L48 VanDerWaalsContact O-N 3.13Å; N45-L48 PolarHBondContact O-N 3.41Å; N46-L48 VanDerWaalsContact C-N 3.35Å; L48-F50 VanDerWaalsContact C-N 3.3Å; L48-F50 PolarHBondContact O-N 2.95Å; L48-V51 PolarHBondContact O-N 3.28Å; L48-L52 PolarHBondContact O-N 2.92Å; L48-L52 VanDerWaalsContact O-N 3.1Å; L48-S66 VanDerWaalsContact CA-OG 3.27Å; L48-S66 WeakPolarHBondContact CA-OG 3.44Å; L48-S66 VanDerWaalsContact CD2-OG 3.32Å; L48-S66 WeakPolarHBondContact CD2-OG 3.42Å; L48-S66 PolarHBondContact O-OG 3.47Å; L48-I69 HydrophobicContact CD1-CB 4.38Å; L48-I69 HydrophobicContact CD1-CG2 3.79Å; L48-I69 HydrophobicContact CD2-CG2 4.39Å; L48-L70 HydrophobicContact CB-CB 4Å; L48-L70 HydrophobicContact CB-CD2 4.48Å; L48-L70 HydrophobicContact CD1-CB 4.02Å; L48-L70 HydrophobicContact CD1-CD1 4.43Å |
| 49 | I | 95.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66 | -35.6 | 177.5 | -171.2 | 61.5 | 0 | 0 | 0 | 111.7 | N45 N46 L52 T53 L70 F88 I89 E92 L111 | N45-I49 PolarHBondContact O-N 2.93Å; N45-I49 VanDerWaalsContact O-N 3.12Å; N46-I49 VanDerWaalsContact O-CG2 3.26Å; N46-I49 WeakPolarHBondContact O-CG2 3.48Å; I49-L52 HydrophobicContact CD1-CD2 4.01Å; I49-L52 PolarHBondContact O-N 3.3Å; I49-T53 HydrophobicContact CD1-CG2 3.73Å; I49-T53 HydrophobicContact CG1-CG2 4.24Å; I49-T53 WeakPolarHBondContact O-CB 3.43Å; I49-T53 PolarHBondContact O-N 3.41Å; I49-T53 PolarHBondContact O-OG1 3.48Å; I49-L70 HydrophobicContact CB-CD2 3.76Å; I49-L70 HydrophobicContact CD1-CD2 4.19Å; I49-L70 HydrophobicContact CG1-CD2 4.47Å; I49-F88 HydrophobicContact CG2-CD1 3.79Å; I49-F88 HydrophobicContact CG2-CE1 3.55Å; I49-I89 HydrophobicContact CB-CG1 4.16Å; I49-I89 HydrophobicContact CD1-CG2 4.4Å; I49-I89 HydrophobicContact CG1-CG2 4.37Å; I49-I89 HydrophobicContact CG2-CG1 3.89Å; I49-E92 HydrophobicContact CD1-CB 4.18Å; I49-E92 HydrophobicContact CG1-CB 3.55Å; I49-E92 HydrophobicContact CG1-CG 4.18Å; I49-L111 HydrophobicContact CD1-CD1 4.37Å |
| 50 | F | 95.2 | Very high | 90.5 | Very high | 23 Ų | 23 | 48 Ų | 48 | 10% | 0.101 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.4 | -44 | 176.5 | -179.3 | -85.9 | 0 | 0 | 0 | 112.3 | W3 P5 L10 N46 Y47 L48 T53 R54 L55 | W3-F50 HydrophobicContact CH2-CB 4.29Å; W3-F50 HydrophobicContact CZ3-CB 3.76Å; W3-F50 AromaticContact CZ3-CD2 3.87Å; W3-F50 HydrophobicContact CZ3-CD2 3.87Å; W3-F50 AromaticContact CZ3-CG 3.96Å; W3-F50 HydrophobicContact CZ3-CG 3.96Å; P5-F50 HydrophobicContact CG-CD1 4.17Å; P5-F50 HydrophobicContact CG-CD2 4.22Å; P5-F50 HydrophobicContact CG-CE1 3.8Å; P5-F50 HydrophobicContact CG-CE2 3.83Å; P5-F50 HydrophobicContact CG-CG 4.38Å; P5-F50 HydrophobicContact CG-CZ 3.62Å; L10-F50 HydrophobicContact CD1-CD1 4.16Å; L10-F50 HydrophobicContact CD1-CE1 4.41Å; L10-F50 HydrophobicContact CD2-CE1 4.07Å; N46-F50 VanDerWaalsContact O-CB 3.23Å; N46-F50 WeakPolarHBondContact O-CB 3.36Å; N46-F50 PolarHBondContact O-N 3.03Å; Y47-F50 PolarHBondContact O-N 3.48Å; L48-F50 VanDerWaalsContact C-N 3.3Å; L48-F50 PolarHBondContact O-N 2.95Å; F50-T53 PolarHBondContact O-N 3.47Å; F50-R54 HydrophobicContact CD2-CB 3.95Å; F50-R54 HydrophobicContact CD2-CG 4.2Å; F50-R54 HydrophobicContact CE2-CB 3.8Å; F50-R54 HydrophobicContact CE2-CG 4.28Å; F50-R54 HydrophobicContact CG-CB 4.37Å; F50-R54 HydrophobicContact CZ-CB 4.08Å; F50-R54 PolarHBondContact O-N 3.12Å; F50-L55 HydrophobicContact CE1-CB 4.38Å; F50-L55 HydrophobicContact CE1-CD1 4.39Å; F50-L55 PolarHBondContact O-N 3.48Å |
| 51 | V | 95.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.4 | -44.8 | 176.4 | 170.1 | 0 | 0 | 0 | 0 | 110.4 | L10 L14 L17 Y47 L48 T53 L55 R63 | L10-V51 HydrophobicContact CD1-CG2 3.73Å; L14-V51 HydrophobicContact CD2-CG1 4.19Å; L14-V51 HydrophobicContact CD2-CG2 4.1Å; L17-V51 HydrophobicContact CD1-CG1 3.89Å; Y47-V51 WeakPolarHBondContact O-CG2 3.39Å; Y47-V51 PolarHBondContact O-N 3.05Å; L48-V51 PolarHBondContact O-N 3.28Å; V51-T53 PolarHBondContact O-N 3.01Å; V51-L55 HydrophobicContact CG2-CD2 4.28Å; V51-R63 WeakPolarHBondContact O-CG 3.4Å |
| 52 | L | 96.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.6 | -49.2 | 177.6 | 176.4 | 65.6 | 0 | 0 | 0 | 112.2 | L48 I49 R63 I104 T107 I108 L111 | L48-L52 PolarHBondContact O-N 2.92Å; L48-L52 VanDerWaalsContact O-N 3.1Å; I49-L52 HydrophobicContact CD1-CD2 4.01Å; I49-L52 PolarHBondContact O-N 3.3Å; L52-R63 WeakPolarHBondContact CD1-O 3.46Å; L52-R63 PolarHBondContact O-NE 3.37Å; L52-R63 VanDerWaalsContact O-NE 3.08Å; L52-R63 PolarHBondContact O-NH2 3.07Å; L52-I104 HydrophobicContact CD1-CD1 4.05Å; L52-I104 HydrophobicContact CD1-CG2 4.12Å; L52-T107 HydrophobicContact CD1-CG2 3.95Å; L52-T107 HydrophobicContact CD2-CG2 4.23Å; L52-I108 HydrophobicContact CD2-CG1 3.89Å; L52-I108 HydrophobicContact CG-CG1 4.34Å; L52-L111 HydrophobicContact CD2-CD1 3.46Å; L52-L111 VanDerWaalsContact CD2-CD1 3.46Å |
| 53 | T | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -98.9 | -42.3 | -163.9 | 57.1 | 0 | 0 | 0 | 0 | 114.1 | I49 F50 V51 K56 E92 N96 I108 | I49-T53 HydrophobicContact CD1-CG2 3.73Å; I49-T53 HydrophobicContact CG1-CG2 4.24Å; I49-T53 WeakPolarHBondContact O-CB 3.43Å; I49-T53 PolarHBondContact O-N 3.41Å; I49-T53 PolarHBondContact O-OG1 3.48Å; F50-T53 PolarHBondContact O-N 3.47Å; V51-T53 PolarHBondContact O-N 3.01Å; T53-K56 WeakPolarHBondContact O-CE 3.32Å; T53-K56 PolarHBondContact O-NZ 3.1Å; T53-E92 HydrophobicContact CG2-CB 4.2Å; T53-E92 PolarHBondContact OG1-OE2 3.42Å; T53-N96 HydrophobicContact CG2-CB 4.03Å; T53-N96 PolarHBondContact O-OD1 3.46Å; T53-I108 HydrophobicContact CG2-CD1 4.32Å |
| 54 | R | 92.7 | Very high | 93.2 | Very high | 98 Ų | 98 | 33.7 Ų | 33.7 | 37% | 0.37 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -29.1 | -171 | -62.8 | -166.6 | 177.5 | -167.4 | -1.2 | 114.1 | F50 K56 E92 | F50-R54 HydrophobicContact CD2-CB 3.95Å; F50-R54 HydrophobicContact CD2-CG 4.2Å; F50-R54 HydrophobicContact CE2-CB 3.8Å; F50-R54 HydrophobicContact CE2-CG 4.28Å; F50-R54 HydrophobicContact CG-CB 4.37Å; F50-R54 HydrophobicContact CZ-CB 4.08Å; F50-R54 PolarHBondContact O-N 3.12Å; R54-K56 VanDerWaalsContact C-N 3.3Å; R54-K56 PolarHBondContact O-N 3.33Å; R54-E92 WeakPolarHBondContact CG-OE2 3.44Å; R54-E92 IonicContact CZ-OE1 3.29Å; R54-E92 VanDerWaalsContact CZ-OE1 3.29Å; R54-E92 IonicContact CZ-OE2 3.81Å; R54-E92 VanDerWaalsContact NE-CD 3.3Å; R54-E92 IonicContact NE-OE1 3.19Å; R54-E92 PolarHBondContact NE-OE1 2.95Å; R54-E92 IonicContact NE-OE2 2.91Å; R54-E92 PolarHBondContact NE-OE2 3.09Å; R54-E92 IonicContact NH2-OE1 2.77Å; R54-E92 PolarHBondContact NH2-OE1 2.91Å; R54-E92 IonicContact NH2-OE2 3.51Å |
| 55 | L | 92.3 | Very high | 93.3 | Very high | 27 Ų | 27 | 35.4 Ų | 35.4 | 14% | 0.141 | 18% | 0.181 | C | C | . | . | trans | -83.8 | 66.8 | -174.9 | -162.3 | 67.8 | 0 | 0 | 0 | 112.8 | L10 L14 F50 V51 S57 E58 | L10-L55 HydrophobicContact CD1-CD2 4.46Å; L14-L55 HydrophobicContact CD1-CD2 3.86Å; L14-L55 HydrophobicContact CD2-CD2 3.76Å; L14-L55 HydrophobicContact CG-CD2 4.32Å; F50-L55 HydrophobicContact CE1-CB 4.38Å; F50-L55 HydrophobicContact CE1-CD1 4.39Å; F50-L55 PolarHBondContact O-N 3.48Å; V51-L55 HydrophobicContact CG2-CD2 4.28Å; L55-S57 PolarHBondContact O-N 3.44Å; L55-E58 HydrophobicContact CD2-CB 4.45Å; L55-E58 HydrophobicContact CD2-CG 3.53Å; L55-E58 HydrophobicContact CG-CG 4.01Å; L55-E58 PolarHBondContact O-N 2.83Å | ||
| 56 | K | 90.1 | Very high | 93.4 | Very high | 107 Ų | 107 | 35.3 Ų | 35.3 | 47% | 0.465 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -6.7 | -178.5 | -51.5 | -57.1 | -168.1 | -167.9 | 0 | 114.5 | T53 R54 D99 | T53-K56 WeakPolarHBondContact O-CE 3.32Å; T53-K56 PolarHBondContact O-NZ 3.1Å; R54-K56 VanDerWaalsContact C-N 3.3Å; R54-K56 PolarHBondContact O-N 3.33Å; K56-D99 IonicContact NZ-OD2 3.87Å; K56-D99 PolarHBondContact NZ-OD2 2.84Å |
| 57 | S | 90.1 | Very high | 93.4 | Very high | 99 Ų | 99 | 35 Ų | 35 | 69% | 0.692 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -21.6 | 175.7 | 55.3 | 0 | 0 | 0 | 0 | 113.7 | L55 | L55-S57 PolarHBondContact O-N 3.44Š|
| 58 | E | 91.9 | Very high | 93.4 | Very high | 39 Ų | 39 | 36.8 Ų | 36.8 | 18% | 0.182 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -88.3 | 156.9 | 175.5 | -67.1 | -69.1 | 150.5 | 0 | 0 | 111 | L14 K18 L55 R63 | L14-E58 HydrophobicContact CD2-CG 3.85Å; K18-E58 WeakPolarHBondContact CE-OE2 3.26Å; K18-E58 IonicContact NZ-OE1 3.37Å; K18-E58 PolarHBondContact NZ-OE1 3.14Å; K18-E58 IonicContact NZ-OE2 2.88Å; K18-E58 PolarHBondContact NZ-OE2 3.22Å; L55-E58 HydrophobicContact CD2-CB 4.45Å; L55-E58 HydrophobicContact CD2-CG 3.53Å; L55-E58 HydrophobicContact CG-CG 4.01Å; L55-E58 PolarHBondContact O-N 2.83Å; E58-R63 HydrophobicContact CB-CG 4.22Å; E58-R63 VanDerWaalsContact O-CD 3.31Å; E58-R63 WeakPolarHBondContact O-CD 3.28Å |
| 59 | D | 91.8 | Very high | 93.2 | Very high | 81 Ų | 81 | 37.6 Ų | 37.6 | 43% | 0.433 | 19% | 0.194 | S | C | . | . | trans | -68.2 | 157.8 | -179.4 | 63.2 | 46.6 | 0 | 0 | 0 | 113.3 | P61 T62 R63 | D59-P61 WeakPolarHBondContact OD1-CD 3.37Å; D59-T62 PolarHBondContact O-N 2.84Å; D59-T62 WeakPolarHBondContact OD1-CB 3.27Å; D59-T62 PolarHBondContact OD1-N 3.44Å; D59-T62 PolarHBondContact OD1-OG1 2.88Å; D59-R63 VanDerWaalsContact O-CG 3.3Å; D59-R63 WeakPolarHBondContact O-CG 3.49Å; D59-R63 PolarHBondContact O-N 2.58Å; D59-R63 VanDerWaalsContact O-N 3.08Å | ||
| 60 | E | 92.5 | Very high | 93.1 | Very high | 92 Ų | 92 | 37.6 Ų | 37.6 | 43% | 0.43 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.8 | -42 | -176.8 | -52.6 | -177.3 | 178.7 | 0 | 0 | 113.4 | T62 R63 S64 S101 L103 | E60-T62 PolarHBondContact O-N 3.17Å; E60-R63 PolarHBondContact O-N 3.14Å; E60-S64 VanDerWaalsContact O-CB 3.24Å; E60-S64 WeakPolarHBondContact O-CB 3.41Å; E60-S64 PolarHBondContact O-N 3.33Å; E60-S101 PolarHBondContact OE2-OG 3.24Å; E60-L103 HydrophobicContact CB-CD2 4.24Å |
| 61 | P | 92.3 | Very high | 93.1 | Very high | 76 Ų | 76 | 39.1 Ų | 39.1 | 49% | 0.494 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59.9 | -42 | 176 | -25.7 | 36.1 | 0 | 0 | 0 | 113.5 | D59 S64 L65 | D59-P61 WeakPolarHBondContact OD1-CD 3.37Å; P61-S64 PolarHBondContact O-N 3.45Å; P61-L65 VanDerWaalsContact O-CB 3.23Å; P61-L65 WeakPolarHBondContact O-CB 3.4Å; P61-L65 PolarHBondContact O-N 3.23Å |
| 62 | T | 91.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.8 | -44.8 | 178.8 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | L17 Q21 D59 E60 L65 S66 | L17-T62 HydrophobicContact CB-CG2 4.01Å; L17-T62 HydrophobicContact CD1-CG2 4.28Å; Q21-T62 PolarHBondContact NE2-OG1 3.44Å; D59-T62 PolarHBondContact O-N 2.84Å; D59-T62 WeakPolarHBondContact OD1-CB 3.27Å; D59-T62 PolarHBondContact OD1-N 3.44Å; D59-T62 PolarHBondContact OD1-OG1 2.88Å; E60-T62 PolarHBondContact O-N 3.17Å; T62-L65 PolarHBondContact O-N 3.16Å; T62-S66 PolarHBondContact O-N 2.81Å; T62-S66 VanDerWaalsContact O-N 3.08Å |
| 63 | R | 95.4 | Very high | 92.6 | Very high | 14 Ų | 14 | 43.5 Ų | 43.5 | 5% | 0.053 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.6 | -47 | 175.4 | -68.4 | 173.4 | 58 | -151.2 | -7.3 | 111.3 | V51 L52 E58 D59 E60 S66 G67 D99 I104 | V51-R63 WeakPolarHBondContact O-CG 3.4Å; L52-R63 WeakPolarHBondContact CD1-O 3.46Å; L52-R63 PolarHBondContact O-NE 3.37Å; L52-R63 VanDerWaalsContact O-NE 3.08Å; L52-R63 PolarHBondContact O-NH2 3.07Å; E58-R63 HydrophobicContact CB-CG 4.22Å; E58-R63 VanDerWaalsContact O-CD 3.31Å; E58-R63 WeakPolarHBondContact O-CD 3.28Å; D59-R63 VanDerWaalsContact O-CG 3.3Å; D59-R63 WeakPolarHBondContact O-CG 3.49Å; D59-R63 PolarHBondContact O-N 2.58Å; D59-R63 VanDerWaalsContact O-N 3.08Å; E60-R63 PolarHBondContact O-N 3.14Å; R63-S66 VanDerWaalsContact O-CB 3.3Å; R63-S66 WeakPolarHBondContact O-CB 3.32Å; R63-S66 PolarHBondContact O-N 2.93Å; R63-G67 PolarHBondContact O-N 2.62Å; R63-D99 IonicContact CZ-OD2 2.65Å; R63-D99 IonicContact NH2-OD2 3.95Å; R63-D99 PolarHBondContact NH2-OD2 3.13Å; R63-I104 HydrophobicContact CB-CD1 3.64Å |
| 64 | S | 93.6 | Very high | 92.4 | Very high | 7 Ų | 7 | 43.6 Ų | 43.6 | 5% | 0.049 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 178.6 | -175.3 | 0 | 0 | 0 | 0 | 112.3 | E60 P61 S66 G67 L68 T107 | E60-S64 VanDerWaalsContact O-CB 3.24Å; E60-S64 WeakPolarHBondContact O-CB 3.41Å; E60-S64 PolarHBondContact O-N 3.33Å; P61-S64 PolarHBondContact O-N 3.45Å; S64-S66 VanDerWaalsContact C-N 3.26Å; S64-S66 PolarHBondContact O-N 3.18Å; S64-G67 WeakPolarHBondContact O-CA 3.43Å; S64-G67 PolarHBondContact O-N 2.87Å; S64-L68 WeakPolarHBondContact O-CG 3.33Å; S64-L68 PolarHBondContact O-N 3.45Å; S64-T107 PolarHBondContact OG-OG1 3.42Å |
| 65 | L | 92.4 | Very high | 92.2 | Very high | 46 Ų | 46 | 45.1 Ų | 45.1 | 24% | 0.241 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.9 | -39.2 | 176.6 | 180 | 57.7 | 0 | 0 | 0 | 112.1 | L17 S20 Q21 P61 T62 G67 L68 I69 | L17-L65 HydrophobicContact CD2-CG 4.38Å; S20-L65 WeakPolarHBondContact OG-CD2 3.34Å; Q21-L65 HydrophobicContact CG-CD2 3.69Å; P61-L65 VanDerWaalsContact O-CB 3.23Å; P61-L65 WeakPolarHBondContact O-CB 3.4Å; P61-L65 PolarHBondContact O-N 3.23Å; T62-L65 PolarHBondContact O-N 3.16Å; L65-G67 VanDerWaalsContact C-N 3.32Å; L65-G67 PolarHBondContact O-N 3.29Å; L65-L68 PolarHBondContact O-N 2.91Å; L65-I69 HydrophobicContact CD1-CD1 4.41Å; L65-I69 HydrophobicContact CD1-CG1 4.44Å; L65-I69 HydrophobicContact CG-CD1 4.26Å; L65-I69 WeakPolarHBondContact O-CG1 3.37Å; L65-I69 PolarHBondContact O-N 3.35Å |
| 66 | S | 94.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.8 | -45.5 | 173.4 | -163.8 | 0 | 0 | 0 | 0 | 111.9 | L48 T62 R63 S64 I69 L70 | L48-S66 VanDerWaalsContact CA-OG 3.27Å; L48-S66 WeakPolarHBondContact CA-OG 3.44Å; L48-S66 VanDerWaalsContact CD2-OG 3.32Å; L48-S66 WeakPolarHBondContact CD2-OG 3.42Å; L48-S66 PolarHBondContact O-OG 3.47Å; T62-S66 PolarHBondContact O-N 2.81Å; T62-S66 VanDerWaalsContact O-N 3.08Å; R63-S66 VanDerWaalsContact O-CB 3.3Å; R63-S66 WeakPolarHBondContact O-CB 3.32Å; R63-S66 PolarHBondContact O-N 2.93Å; S64-S66 VanDerWaalsContact C-N 3.26Å; S64-S66 PolarHBondContact O-N 3.18Å; S66-I69 PolarHBondContact O-N 3.3Å; S66-L70 PolarHBondContact O-N 2.98Å |
| 67 | G | 95 | Very high | 91.8 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64 | -38.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R63 S64 L65 L70 K71 | R63-G67 PolarHBondContact O-N 2.62Å; S64-G67 WeakPolarHBondContact O-CA 3.43Å; S64-G67 PolarHBondContact O-N 2.87Å; L65-G67 VanDerWaalsContact C-N 3.32Å; L65-G67 PolarHBondContact O-N 3.29Å; G67-L70 WeakPolarHBondContact O-CB 3.27Å; G67-L70 PolarHBondContact O-N 3.18Å; G67-K71 PolarHBondContact O-N 2.89Å |
| 68 | L | 92.1 | Very high | 91.7 | Very high | 64 Ų | 64 | 43 Ų | 43 | 34% | 0.335 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -69.2 | -35.7 | 177.5 | -67.5 | 175.7 | 0 | 0 | 0 | 112.9 | S64 L65 K71 N72 T107 | S64-L68 WeakPolarHBondContact O-CG 3.33Å; S64-L68 PolarHBondContact O-N 3.45Å; L65-L68 PolarHBondContact O-N 2.91Å; L68-K71 WeakPolarHBondContact O-CB 3.44Å; L68-K71 PolarHBondContact O-N 3.32Å; L68-N72 PolarHBondContact O-N 3.02Å; L68-N72 VanDerWaalsContact O-N 3.15Å; L68-N72 PolarHBondContact O-ND2 3.03Å; L68-T107 HydrophobicContact CG-CG2 4.46Å |
| 69 | I | 91.6 | Very high | 91.4 | Very high | 17 Ų | 17 | 50.1 Ų | 50.1 | 9% | 0.087 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.9 | -46 | 171.3 | -67.8 | 167.9 | 0 | 0 | 0 | 109.5 | L17 L35 L48 L65 S66 K71 N72 N73 | L17-I69 HydrophobicContact CD2-CD1 3.61Å; L35-I69 HydrophobicContact CD1-CD1 4.28Å; L35-I69 HydrophobicContact CD2-CD1 4.2Å; L35-I69 HydrophobicContact CD2-CG2 4.07Å; L48-I69 HydrophobicContact CD1-CB 4.38Å; L48-I69 HydrophobicContact CD1-CG2 3.79Å; L48-I69 HydrophobicContact CD2-CG2 4.39Å; L65-I69 HydrophobicContact CD1-CD1 4.41Å; L65-I69 HydrophobicContact CD1-CG1 4.44Å; L65-I69 HydrophobicContact CG-CD1 4.26Å; L65-I69 WeakPolarHBondContact O-CG1 3.37Å; L65-I69 PolarHBondContact O-N 3.35Å; S66-I69 PolarHBondContact O-N 3.3Å; I69-K71 VanDerWaalsContact C-N 3.27Å; I69-K71 PolarHBondContact O-N 3.48Å; I69-N72 PolarHBondContact O-N 3.25Å; I69-N72 VanDerWaalsContact O-N 3.11Å; I69-N73 PolarHBondContact O-N 3.41Å; I69-N73 PolarHBondContact O-OD1 3.18Å |
| 70 | L | 94.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.6 | -40.6 | 175.7 | 179.4 | 59.3 | 0 | 0 | 0 | 111.6 | N45 L48 I49 S66 G67 N72 N73 V74 I89 L111 | N45-L70 HydrophobicContact CB-CD1 3.66Å; L48-L70 HydrophobicContact CB-CB 4Å; L48-L70 HydrophobicContact CB-CD2 4.48Å; L48-L70 HydrophobicContact CD1-CB 4.02Å; L48-L70 HydrophobicContact CD1-CD1 4.43Å; I49-L70 HydrophobicContact CB-CD2 3.76Å; I49-L70 HydrophobicContact CD1-CD2 4.19Å; I49-L70 HydrophobicContact CG1-CD2 4.47Å; S66-L70 PolarHBondContact O-N 2.98Å; G67-L70 WeakPolarHBondContact O-CB 3.27Å; G67-L70 PolarHBondContact O-N 3.18Å; L70-N72 VanDerWaalsContact C-N 3.31Å; L70-N72 PolarHBondContact O-N 3.23Å; L70-N73 WeakPolarHBondContact O-CB 3.36Å; L70-N73 PolarHBondContact O-N 3.38Å; L70-N73 VanDerWaalsContact O-N 3.12Å; L70-V74 HydrophobicContact CD1-CG2 4.42Å; L70-V74 WeakPolarHBondContact O-CG2 3.34Å; L70-V74 PolarHBondContact O-N 3.22Å; L70-I89 HydrophobicContact CD1-CD1 4.09Å; L70-I89 HydrophobicContact CD2-CD1 4.48Å; L70-I89 HydrophobicContact CD2-CG1 4.45Å; L70-I89 HydrophobicContact CD2-CG2 4.1Å; L70-L111 HydrophobicContact CB-CD2 4.13Å; L70-L111 HydrophobicContact CD2-CD1 4.12Å; L70-L111 HydrophobicContact CD2-CD2 4.12Å; L70-L111 HydrophobicContact CG-CD2 3.86Å |
| 71 | K | 93.9 | Very high | 90.9 | Very high | 55 Ų | 55 | 46.8 Ų | 46.8 | 24% | 0.239 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.7 | -45.5 | 175.4 | -171.3 | -144 | 80 | 178.3 | 0 | 111.5 | G67 L68 I69 N73 V74 K75 I110 L111 T114 | G67-K71 PolarHBondContact O-N 2.89Å; L68-K71 WeakPolarHBondContact O-CB 3.44Å; L68-K71 PolarHBondContact O-N 3.32Å; I69-K71 VanDerWaalsContact C-N 3.27Å; I69-K71 PolarHBondContact O-N 3.48Å; K71-N73 VanDerWaalsContact C-N 3.31Å; K71-N73 PolarHBondContact O-N 3.02Å; K71-V74 PolarHBondContact O-N 2.93Å; K71-K75 WeakPolarHBondContact O-CB 3.24Å; K71-K75 PolarHBondContact O-N 2.95Å; K71-I110 HydrophobicContact CD-CG2 3.39Å; K71-I110 HydrophobicContact CG-CG2 3.81Å; K71-L111 HydrophobicContact CB-CD2 3.85Å; K71-T114 HydrophobicContact CG-CG2 4Å; K71-T114 VanDerWaalsContact CG-OG1 3.31Å; K71-T114 WeakPolarHBondContact CG-OG1 3.31Å |
| 72 | N | 90.4 | Very high | 90.8 | Very high | 86 Ų | 86 | 45.4 Ų | 45.4 | 46% | 0.46 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.5 | -37.2 | 178.2 | -66.8 | -23.2 | 0 | 0 | 0 | 111.7 | L68 I69 L70 K75 A76 | L68-N72 PolarHBondContact O-N 3.02Å; L68-N72 VanDerWaalsContact O-N 3.15Å; L68-N72 PolarHBondContact O-ND2 3.03Å; I69-N72 PolarHBondContact O-N 3.25Å; I69-N72 VanDerWaalsContact O-N 3.11Å; L70-N72 VanDerWaalsContact C-N 3.31Å; L70-N72 PolarHBondContact O-N 3.23Å; N72-K75 PolarHBondContact O-N 3.39Å; N72-A76 PolarHBondContact O-N 3.42Å |
| 73 | N | 90.8 | Very high | 90.6 | Very high | 6 Ų | 6 | 49.9 Ų | 49.9 | 3% | 0.032 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 175.7 | -66.8 | -0.1 | 0 | 0 | 0 | 112.1 | N39 N45 I69 L70 K71 K75 A76 H77 F81 | N39-N73 VanDerWaalsContact CG-OD1 3.23Å; N39-N73 PolarHBondContact ND2-OD1 2.86Å; N39-N73 PolarHBondContact OD1-ND2 3.41Å; N39-N73 PolarHBondContact OD1-OD1 3.15Å; N45-N73 WeakPolarHBondContact OD1-CB 3.33Å; N45-N73 PolarHBondContact OD1-ND2 2.67Å; I69-N73 PolarHBondContact O-N 3.41Å; I69-N73 PolarHBondContact O-OD1 3.18Å; L70-N73 WeakPolarHBondContact O-CB 3.36Å; L70-N73 PolarHBondContact O-N 3.38Å; L70-N73 VanDerWaalsContact O-N 3.12Å; K71-N73 VanDerWaalsContact C-N 3.31Å; K71-N73 PolarHBondContact O-N 3.02Å; N73-K75 VanDerWaalsContact C-N 3.33Å; N73-A76 PolarHBondContact O-N 3.1Å; N73-H77 WeakPolarHBondContact O-CB 3.45Å; N73-H77 PolarHBondContact O-N 3.1Å; N73-F81 HydrophobicContact CB-CZ 4.18Å |
| 74 | V | 90.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58 | -48.2 | 171.5 | 171.3 | 0 | 0 | 0 | 0 | 109.4 | L70 K71 A76 Y78 F81 T114 I115 K118 | L70-V74 HydrophobicContact CD1-CG2 4.42Å; L70-V74 WeakPolarHBondContact O-CG2 3.34Å; L70-V74 PolarHBondContact O-N 3.22Å; K71-V74 PolarHBondContact O-N 2.93Å; V74-A76 VanDerWaalsContact C-N 3.26Å; V74-A76 PolarHBondContact O-N 3.16Å; V74-Y78 HydrophobicContact CB-CD2 4.4Å; V74-Y78 HydrophobicContact CG1-CD2 3.72Å; V74-Y78 HydrophobicContact CG1-CE2 4.46Å; V74-Y78 HydrophobicContact CG1-CG 4.14Å; V74-Y78 HydrophobicContact CG2-CD2 4.28Å; V74-Y78 WeakPolarHBondContact O-CB 3.22Å; V74-Y78 PolarHBondContact O-N 2.96Å; V74-Y78 VanDerWaalsContact O-N 3.13Å; V74-F81 HydrophobicContact CG2-CE2 4.06Å; V74-F81 HydrophobicContact CG2-CZ 4.37Å; V74-T114 HydrophobicContact CB-CG2 4.27Å; V74-T114 HydrophobicContact CG1-CG2 3.8Å; V74-I115 HydrophobicContact CG1-CG1 3.85Å; V74-I115 HydrophobicContact CG2-CG1 4.16Å; V74-K118 HydrophobicContact CG1-CB 4.46Å |
| 75 | K | 88.4 | Confident | 90.3 | Very high | 130 Ų | 130 | 54 Ų | 54 | 57% | 0.565 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -57 | -38.2 | -179.2 | -166.8 | 177.4 | 178.4 | 178.4 | 0 | 113.4 | K71 N72 N73 T114 | K71-K75 WeakPolarHBondContact O-CB 3.24Å; K71-K75 PolarHBondContact O-N 2.95Å; N72-K75 PolarHBondContact O-N 3.39Å; N73-K75 VanDerWaalsContact C-N 3.33Å; K75-T114 HydrophobicContact CB-CG2 4.42Å |
| 76 | A | 86 | Confident | 90.2 | Very high | 66 Ų | 66 | 52.3 Ų | 52.3 | 55% | 0.545 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -91.5 | -33.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | N72 N73 V74 | N72-A76 PolarHBondContact O-N 3.42Å; N73-A76 PolarHBondContact O-N 3.1Å; V74-A76 VanDerWaalsContact C-N 3.26Å; V74-A76 PolarHBondContact O-N 3.16Å |
| 77 | H | 87 | Confident | 90.1 | Very high | 89 Ų | 89 | 56.1 Ų | 56.1 | 41% | 0.412 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -137.1 | 11.2 | -161.4 | -56.3 | -49 | 0 | 0 | 0 | 114.5 | N73 Q79 S80 F81 | N73-H77 WeakPolarHBondContact O-CB 3.45Å; N73-H77 PolarHBondContact O-N 3.1Å; H77-Q79 PolarHBondContact O-N 3.48Å; H77-Q79 VanDerWaalsContact O-N 3.13Å; H77-S80 PolarHBondContact O-N 2.77Å; H77-S80 PolarHBondContact O-OG 2.83Å; H77-F81 HydrophobicContact CB-CE1 4.11Å; H77-F81 WeakPolarHBondContact O-CD1 3.4Å |
| 78 | Y | 87.9 | Confident | 90 | Very high | 35 Ų | 35 | 57 Ų | 57 | 14% | 0.137 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -54.3 | -38 | -174.5 | -172.8 | -104.2 | 0 | 0 | 0 | 113.9 | V74 S80 F81 A86 K90 I115 G119 | V74-Y78 HydrophobicContact CB-CD2 4.4Å; V74-Y78 HydrophobicContact CG1-CD2 3.72Å; V74-Y78 HydrophobicContact CG1-CE2 4.46Å; V74-Y78 HydrophobicContact CG1-CG 4.14Å; V74-Y78 HydrophobicContact CG2-CD2 4.28Å; V74-Y78 WeakPolarHBondContact O-CB 3.22Å; V74-Y78 PolarHBondContact O-N 2.96Å; V74-Y78 VanDerWaalsContact O-N 3.13Å; Y78-S80 PolarHBondContact O-N 3.16Å; Y78-F81 HydrophobicContact CD2-CD2 4.2Å; Y78-F81 VanDerWaalsContact O-CB 3.32Å; Y78-F81 WeakPolarHBondContact O-CB 3.38Å; Y78-F81 PolarHBondContact O-N 2.76Å; Y78-A86 HydrophobicContact CE2-CB 4.45Å; Y78-K90 VanDerWaalsContact OH-CE 3.24Å; Y78-K90 WeakPolarHBondContact OH-CE 3.43Å; Y78-I115 HydrophobicContact CE2-CG1 4.29Å; Y78-I115 HydrophobicContact CE2-CG2 3.9Å; Y78-I115 WeakPolarHBondContact OH-CG2 3.48Å; Y78-G119 VanDerWaalsContact CD1-CA 3.46Å |
| 79 | Q | 85.6 | Confident | 90.1 | Very high | 187 Ų | 187 | 54.1 Ų | 54.1 | 87% | 0.874 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -62.2 | -24.1 | 178.1 | -66.2 | 178.4 | -0.1 | 0 | 0 | 113.7 | H77 | H77-Q79 PolarHBondContact O-N 3.48Å; H77-Q79 VanDerWaalsContact O-N 3.13Å |
| 80 | S | 86 | Confident | 90.3 | Very high | 83 Ų | 83 | 54.4 Ų | 54.4 | 58% | 0.58 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -89.2 | -1.6 | 175.5 | 67.3 | 0 | 0 | 0 | 0 | 114.1 | H77 Y78 | H77-S80 PolarHBondContact O-N 2.77Å; H77-S80 PolarHBondContact O-OG 2.83Å; Y78-S80 PolarHBondContact O-N 3.16Å |
| 81 | F | 88.4 | Confident | 90.2 | Very high | 21 Ų | 21 | 59.8 Ų | 59.8 | 9% | 0.092 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -71.7 | 130.6 | -178.7 | -79.1 | 26.2 | 0 | 0 | 0 | 109.9 | N45 N73 V74 H77 Y78 V85 I89 | N45-F81 HydrophobicContact CB-CE2 4.16Å; N45-F81 HydrophobicContact CB-CZ 4.31Å; N45-F81 WeakPolarHBondContact ND2-CZ 3.39Å; N73-F81 HydrophobicContact CB-CZ 4.18Å; V74-F81 HydrophobicContact CG2-CE2 4.06Å; V74-F81 HydrophobicContact CG2-CZ 4.37Å; H77-F81 HydrophobicContact CB-CE1 4.11Å; H77-F81 WeakPolarHBondContact O-CD1 3.4Å; Y78-F81 HydrophobicContact CD2-CD2 4.2Å; Y78-F81 VanDerWaalsContact O-CB 3.32Å; Y78-F81 WeakPolarHBondContact O-CB 3.38Å; Y78-F81 PolarHBondContact O-N 2.76Å; F81-V85 HydrophobicContact CD2-CG1 4.24Å; F81-I89 HydrophobicContact CD2-CD1 4.2Å; F81-I89 HydrophobicContact CE2-CD1 3.95Å |
| 82 | P | 89.9 | Confident | 90.3 | Very high | 46 Ų | 46 | 57.5 Ų | 57.5 | 30% | 0.299 | 31% | 0.313 | S | S | . | . | trans | -60.5 | 140.1 | 170.2 | -21.8 | 33.3 | 0 | 0 | 0 | 110.5 | P42 P84 V85 A86 | P42-P82 VanDerWaalsContact CB-CD 3.42Å; P42-P82 HydrophobicContact CB-CG 3.6Å; P42-P82 HydrophobicContact CG-CG 3.81Å; P82-P84 VanDerWaalsContact C-CD 3.41Å; P82-P84 VanDerWaalsContact C-N 3.32Å; P82-V85 HydrophobicContact CB-CG2 4.26Å; P82-V85 HydrophobicContact CG-CG2 4.27Å; P82-V85 WeakPolarHBondContact O-CB 3.01Å; P82-V85 PolarHBondContact O-N 3.47Å; P82-A86 PolarHBondContact O-N 3.34Å; P82-A86 VanDerWaalsContact O-N 3.15Å | ||
| 83 | P | 89.1 | Confident | 90.5 | Very high | 95 Ų | 95 | 53.4 Ų | 53.4 | 62% | 0.617 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -50.8 | -41.9 | -180 | -26.2 | 32.4 | 0 | 0 | 0 | 114.6 | V85 A86 D87 | P83-V85 VanDerWaalsContact C-N 3.28Å; P83-V85 PolarHBondContact O-N 3.01Å; P83-A86 PolarHBondContact O-N 3.27Å; P83-D87 WeakPolarHBondContact O-CB 3.4Å; P83-D87 VanDerWaalsContact O-CG 3.25Å; P83-D87 PolarHBondContact O-N 2.89Å |
| 84 | P | 90.6 | Very high | 90.7 | Very high | 97 Ų | 97 | 53.9 Ų | 53.9 | 63% | 0.63 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62.3 | -32.1 | 178.2 | -23.8 | 34.9 | 0 | 0 | 0 | 114.4 | P82 F88 | P82-P84 VanDerWaalsContact C-CD 3.41Å; P82-P84 VanDerWaalsContact C-N 3.32Å; P84-F88 WeakPolarHBondContact O-CB 3.44Å; P84-F88 PolarHBondContact O-N 3.43Å; P84-F88 VanDerWaalsContact O-N 3.11Å |
| 85 | V | 91 | Very high | 90.8 | Very high | 11 Ų | 11 | 59.7 Ų | 59.7 | 7% | 0.067 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -72.9 | -46.5 | 177.4 | 172.6 | 0 | 0 | 0 | 0 | 109.6 | P42 N45 N46 F81 P82 P83 D87 F88 I89 | P42-V85 HydrophobicContact CB-CG2 4.27Å; N45-V85 HydrophobicContact CB-CG1 4.16Å; N46-V85 WeakPolarHBondContact OD1-CG1 3.07Å; F81-V85 HydrophobicContact CD2-CG1 4.24Å; P82-V85 HydrophobicContact CB-CG2 4.26Å; P82-V85 HydrophobicContact CG-CG2 4.27Å; P82-V85 WeakPolarHBondContact O-CB 3.01Å; P82-V85 PolarHBondContact O-N 3.47Å; P83-V85 VanDerWaalsContact C-N 3.28Å; P83-V85 PolarHBondContact O-N 3.01Å; V85-D87 PolarHBondContact O-N 3.5Å; V85-F88 PolarHBondContact O-N 3.06Å; V85-I89 HydrophobicContact CG1-CD1 3.83Å; V85-I89 WeakPolarHBondContact O-CD1 3.4Å; V85-I89 VanDerWaalsContact O-CG1 3.27Å; V85-I89 WeakPolarHBondContact O-CG1 3.43Å; V85-I89 PolarHBondContact O-N 2.92Å |
| 86 | A | 91.4 | Very high | 91.1 | Very high | 9 Ų | 9 | 55 Ų | 55 | 7% | 0.074 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.1 | -46.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y78 P82 P83 F88 I89 K90 | Y78-A86 HydrophobicContact CE2-CB 4.45Å; P82-A86 PolarHBondContact O-N 3.34Å; P82-A86 VanDerWaalsContact O-N 3.15Å; P83-A86 PolarHBondContact O-N 3.27Å; A86-F88 PolarHBondContact O-N 3.12Å; A86-I89 PolarHBondContact O-N 2.96Å; A86-K90 WeakPolarHBondContact O-CB 3.14Å; A86-K90 VanDerWaalsContact O-CG 3.23Å; A86-K90 WeakPolarHBondContact O-CG 3.28Å; A86-K90 PolarHBondContact O-N 3.3Å |
| 87 | D | 91.7 | Very high | 91.5 | Very high | 80 Ų | 80 | 52 Ų | 52 | 43% | 0.428 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 179.3 | -67.8 | -21.1 | 0 | 0 | 0 | 112.3 | P83 V85 K90 Q91 | P83-D87 WeakPolarHBondContact O-CB 3.4Å; P83-D87 VanDerWaalsContact O-CG 3.25Å; P83-D87 PolarHBondContact O-N 2.89Å; V85-D87 PolarHBondContact O-N 3.5Å; D87-K90 PolarHBondContact O-N 3.32Å; D87-Q91 WeakPolarHBondContact O-CB 3.08Å; D87-Q91 VanDerWaalsContact O-CG 3.3Å; D87-Q91 WeakPolarHBondContact O-CG 3.29Å; D87-Q91 PolarHBondContact O-N 3.5Å |
| 88 | F | 93.5 | Very high | 91.8 | Very high | 20 Ų | 20 | 48.6 Ų | 48.6 | 9% | 0.088 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 174.8 | 179.3 | -117.9 | 0 | 0 | 0 | 111.5 | W3 N46 I49 P84 V85 A86 K90 Q91 E92 | W3-F88 HydrophobicContact CD2-CE1 4.32Å; W3-F88 AromaticContact CE3-CE1 3.76Å; W3-F88 HydrophobicContact CE3-CE1 3.76Å; W3-F88 AromaticContact CE3-CZ 3.82Å; W3-F88 HydrophobicContact CE3-CZ 3.82Å; W3-F88 HydrophobicContact CZ3-CE1 4.3Å; W3-F88 HydrophobicContact CZ3-CZ 4.46Å; N46-F88 HydrophobicContact CB-CD1 4.17Å; N46-F88 HydrophobicContact CB-CE1 4.16Å; N46-F88 WeakPolarHBondContact OD1-CD1 3.35Å; I49-F88 HydrophobicContact CG2-CD1 3.79Å; I49-F88 HydrophobicContact CG2-CE1 3.55Å; P84-F88 WeakPolarHBondContact O-CB 3.44Å; P84-F88 PolarHBondContact O-N 3.43Å; P84-F88 VanDerWaalsContact O-N 3.11Å; V85-F88 PolarHBondContact O-N 3.06Å; A86-F88 PolarHBondContact O-N 3.12Å; F88-K90 PolarHBondContact O-N 3.1Å; F88-Q91 PolarHBondContact O-N 2.74Å; F88-E92 HydrophobicContact CD2-CG 4.13Å; F88-E92 HydrophobicContact CE1-CG 4.29Å; F88-E92 HydrophobicContact CE2-CG 3.7Å; F88-E92 HydrophobicContact CZ-CG 3.78Å; F88-E92 WeakPolarHBondContact O-CG 3.22Å; F88-E92 PolarHBondContact O-N 3.43Å |
| 89 | I | 94.1 | Very high | 92.1 | Very high | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.015 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 177.5 | -64.7 | 161.3 | 0 | 0 | 0 | 110.8 | N45 I49 L70 F81 V85 A86 Q91 E92 C93 I115 | N45-I89 HydrophobicContact CB-CD1 4.15Å; I49-I89 HydrophobicContact CB-CG1 4.16Å; I49-I89 HydrophobicContact CD1-CG2 4.4Å; I49-I89 HydrophobicContact CG1-CG2 4.37Å; I49-I89 HydrophobicContact CG2-CG1 3.89Å; L70-I89 HydrophobicContact CD1-CD1 4.09Å; L70-I89 HydrophobicContact CD2-CD1 4.48Å; L70-I89 HydrophobicContact CD2-CG1 4.45Å; L70-I89 HydrophobicContact CD2-CG2 4.1Å; F81-I89 HydrophobicContact CD2-CD1 4.2Å; F81-I89 HydrophobicContact CE2-CD1 3.95Å; V85-I89 HydrophobicContact CG1-CD1 3.83Å; V85-I89 WeakPolarHBondContact O-CD1 3.4Å; V85-I89 VanDerWaalsContact O-CG1 3.27Å; V85-I89 WeakPolarHBondContact O-CG1 3.43Å; V85-I89 PolarHBondContact O-N 2.92Å; A86-I89 PolarHBondContact O-N 2.96Å; I89-Q91 VanDerWaalsContact C-N 3.35Å; I89-Q91 PolarHBondContact O-N 3.49Å; I89-E92 PolarHBondContact O-N 3.15Å; I89-C93 WeakPolarHBondContact O-CB 3.41Å; I89-C93 PolarHBondContact O-N 3.34Å; I89-C93 PolarHBondContact O-SG 2.82Å; I89-C93 VanDerWaalsContact O-SG 3.32Å; I89-I115 HydrophobicContact CG2-CD1 3.7Å |
| 90 | K | 94.4 | Very high | 92.4 | Very high | 22 Ų | 22 | 42.8 Ų | 42.8 | 10% | 0.096 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.5 | -47.9 | 177.4 | -75.3 | 176.3 | 177.4 | -177.5 | 0 | 111.7 | Y78 A86 D87 F88 L94 I115 M123 W124 | Y78-K90 VanDerWaalsContact OH-CE 3.24Å; Y78-K90 WeakPolarHBondContact OH-CE 3.43Å; A86-K90 WeakPolarHBondContact O-CB 3.14Å; A86-K90 VanDerWaalsContact O-CG 3.23Å; A86-K90 WeakPolarHBondContact O-CG 3.28Å; A86-K90 PolarHBondContact O-N 3.3Å; D87-K90 PolarHBondContact O-N 3.32Å; F88-K90 PolarHBondContact O-N 3.1Å; K90-L94 WeakPolarHBondContact O-CG 3.33Å; K90-L94 PolarHBondContact O-N 2.74Å; K90-I115 HydrophobicContact CG-CG2 4.37Å; K90-M123 PolarHBondContact NZ-O 3.41Å; K90-W124 HydrophobicContact CB-CH2 3.81Å; K90-W124 HydrophobicContact CB-CZ2 3.41Å; K90-W124 VanDerWaalsContact CB-CZ2 3.41Å; K90-W124 HydrophobicContact CD-CD2 3.75Å; K90-W124 HydrophobicContact CD-CE3 4.15Å; K90-W124 HydrophobicContact CD-CG 4.1Å; K90-W124 HydrophobicContact CD-CH2 4.49Å; K90-W124 HydrophobicContact CD-CZ2 4.11Å; K90-W124 HydrophobicContact CG-CD2 3.94Å; K90-W124 HydrophobicContact CG-CE3 3.99Å; K90-W124 HydrophobicContact CG-CH2 3.62Å; K90-W124 HydrophobicContact CG-CZ2 3.53Å; K90-W124 HydrophobicContact CG-CZ3 3.85Å |
| 91 | Q | 93.8 | Very high | 92.7 | Very high | 113 Ų | 113 | 39.3 Ų | 39.3 | 53% | 0.528 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.6 | -45.8 | 179.6 | -73.6 | 177.9 | 3.8 | 0 | 0 | 112.5 | D87 F88 I89 C93 L94 N95 | D87-Q91 WeakPolarHBondContact O-CB 3.08Å; D87-Q91 VanDerWaalsContact O-CG 3.3Å; D87-Q91 WeakPolarHBondContact O-CG 3.29Å; D87-Q91 PolarHBondContact O-N 3.5Å; F88-Q91 PolarHBondContact O-N 2.74Å; I89-Q91 VanDerWaalsContact C-N 3.35Å; I89-Q91 PolarHBondContact O-N 3.49Å; Q91-C93 VanDerWaalsContact C-N 3.33Å; Q91-C93 PolarHBondContact O-N 2.84Å; Q91-L94 PolarHBondContact O-N 3.17Å; Q91-N95 WeakPolarHBondContact O-CB 3.49Å; Q91-N95 VanDerWaalsContact O-CG 3.22Å; Q91-N95 PolarHBondContact O-N 2.93Å; Q91-N95 PolarHBondContact O-ND2 3.16Å |
| 92 | E | 94.9 | Very high | 92.8 | Very high | 7 Ų | 7 | 42 Ų | 42 | 3% | 0.033 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 179.2 | -74.2 | -56.8 | 122.1 | 0 | 0 | 112.2 | I49 T53 R54 F88 I89 N96 | I49-E92 HydrophobicContact CD1-CB 4.18Å; I49-E92 HydrophobicContact CG1-CB 3.55Å; I49-E92 HydrophobicContact CG1-CG 4.18Å; T53-E92 HydrophobicContact CG2-CB 4.2Å; T53-E92 PolarHBondContact OG1-OE2 3.42Å; R54-E92 WeakPolarHBondContact CG-OE2 3.44Å; R54-E92 IonicContact CZ-OE1 3.29Å; R54-E92 VanDerWaalsContact CZ-OE1 3.29Å; R54-E92 IonicContact CZ-OE2 3.81Å; R54-E92 VanDerWaalsContact NE-CD 3.3Å; R54-E92 IonicContact NE-OE1 3.19Å; R54-E92 PolarHBondContact NE-OE1 2.95Å; R54-E92 IonicContact NE-OE2 2.91Å; R54-E92 PolarHBondContact NE-OE2 3.09Å; R54-E92 IonicContact NH2-OE1 2.77Å; R54-E92 PolarHBondContact NH2-OE1 2.91Å; R54-E92 IonicContact NH2-OE2 3.51Å; F88-E92 HydrophobicContact CD2-CG 4.13Å; F88-E92 HydrophobicContact CE1-CG 4.29Å; F88-E92 HydrophobicContact CE2-CG 3.7Å; F88-E92 HydrophobicContact CZ-CG 3.78Å; F88-E92 WeakPolarHBondContact O-CG 3.22Å; F88-E92 PolarHBondContact O-N 3.43Å; I89-E92 PolarHBondContact O-N 3.15Å; E92-N96 WeakPolarHBondContact O-CB 3.28Å; E92-N96 PolarHBondContact O-N 3.21Å; E92-N96 PolarHBondContact O-ND2 3.37Å |
| 93 | C | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60 | -51.5 | 175 | -75.3 | 0 | 0 | 0 | 0 | 111.7 | I89 Q91 N95 N96 I97 I108 I112 | I89-C93 WeakPolarHBondContact O-CB 3.41Å; I89-C93 PolarHBondContact O-N 3.34Å; I89-C93 PolarHBondContact O-SG 2.82Å; I89-C93 VanDerWaalsContact O-SG 3.32Å; Q91-C93 VanDerWaalsContact C-N 3.33Å; Q91-C93 PolarHBondContact O-N 2.84Å; C93-N95 PolarHBondContact O-N 3.46Å; C93-N96 PolarHBondContact O-N 3.49Å; C93-I97 PolarHBondContact O-N 3.14Å; C93-I97 VanDerWaalsContact O-N 3.1Å; C93-I108 HydrophobicContact CB-CG2 4.06Å; C93-I108 VanDerWaalsContact O-CG2 3.27Å; C93-I108 WeakPolarHBondContact O-CG2 3.48Å; C93-I112 HydrophobicContact CB-CD1 4.09Å; C93-I112 HydrophobicContact CB-CG1 3.7Å |
| 94 | L | 93.8 | Very high | 93.1 | Very high | 16 Ų | 16 | 38.7 Ų | 38.7 | 8% | 0.084 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.6 | -39 | -177.9 | -70.4 | 169.5 | 0 | 0 | 0 | 112.9 | K90 Q91 N96 I112 W124 L127 L131 | K90-L94 WeakPolarHBondContact O-CG 3.33Å; K90-L94 PolarHBondContact O-N 2.74Å; Q91-L94 PolarHBondContact O-N 3.17Å; L94-N96 PolarHBondContact O-N 2.94Å; L94-I112 HydrophobicContact CD2-CD1 4.38Å; L94-W124 HydrophobicContact CD1-CZ2 3.59Å; L94-W124 HydrophobicContact CD2-CZ2 4.49Å; L94-W124 HydrophobicContact CG-CZ2 3.95Å; L94-L127 HydrophobicContact CD2-CD1 3.89Å; L94-L131 HydrophobicContact CD2-CD2 4.05Å; L94-L131 HydrophobicContact CD2-CG 4.46Å |
| 95 | N | 93.3 | Very high | 93.2 | Very high | 124 Ų | 124 | 35.1 Ų | 35.1 | 66% | 0.663 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -68.8 | -22.9 | 179 | -71.9 | -24 | 0 | 0 | 0 | 113.3 | Q91 C93 | Q91-N95 WeakPolarHBondContact O-CB 3.49Å; Q91-N95 VanDerWaalsContact O-CG 3.22Å; Q91-N95 PolarHBondContact O-N 2.93Å; Q91-N95 PolarHBondContact O-ND2 3.16Å; C93-N95 PolarHBondContact O-N 3.46Å |
| 96 | N | 94.6 | Very high | 93.1 | Very high | 31 Ų | 31 | 37.1 Ų | 37.1 | 17% | 0.166 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | 11.1 | -175.3 | -68.1 | -91.1 | 0 | 0 | 0 | 113.4 | T53 E92 C93 L94 G98 D99 I108 | T53-N96 HydrophobicContact CG2-CB 4.03Å; T53-N96 PolarHBondContact O-OD1 3.46Å; E92-N96 WeakPolarHBondContact O-CB 3.28Å; E92-N96 PolarHBondContact O-N 3.21Å; E92-N96 PolarHBondContact O-ND2 3.37Å; C93-N96 PolarHBondContact O-N 3.49Å; L94-N96 PolarHBondContact O-N 2.94Å; N96-G98 PolarHBondContact O-N 3.39Å; N96-G98 VanDerWaalsContact O-N 3.09Å; N96-D99 PolarHBondContact O-N 3.15Å; N96-I108 HydrophobicContact CB-CD1 3.68Å; N96-I108 WeakPolarHBondContact O-CD1 3.48Å |
| 97 | I | 94.2 | Very high | 93.2 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -23.2 | -179.8 | -157.4 | 169.6 | 0 | 0 | 0 | 112.9 | C93 R105 I108 I112 L131 L134 T142 A146 A149 | C93-I97 PolarHBondContact O-N 3.14Å; C93-I97 VanDerWaalsContact O-N 3.1Å; I97-R105 VanDerWaalsContact O-CD 3.25Å; I97-R105 WeakPolarHBondContact O-CD 3.25Å; I97-R105 VanDerWaalsContact O-CG 3.31Å; I97-R105 WeakPolarHBondContact O-CG 3.49Å; I97-I108 HydrophobicContact CB-CG2 4.45Å; I97-I108 HydrophobicContact CG1-CG2 4.43Å; I97-I112 HydrophobicContact CD1-CD1 3.67Å; I97-I112 HydrophobicContact CG1-CD1 4.23Å; I97-L131 HydrophobicContact CD1-CD2 3.48Å; I97-L131 VanDerWaalsContact CD1-CD2 3.48Å; I97-L134 HydrophobicContact CG2-CD1 3.97Å; I97-T142 HydrophobicContact CG2-CG2 4.38Å; I97-A146 HydrophobicContact CD1-CB 4.31Å; I97-A149 HydrophobicContact CD1-CB 4.05Å |
| 98 | G | 93.7 | Very high | 93.4 | Very high | 18 Ų | 18 | 33 Ų | 33 | 19% | 0.186 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 26.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | N96 N141 | N96-G98 PolarHBondContact O-N 3.39Å; N96-G98 VanDerWaalsContact O-N 3.09Å; G98-N141 WeakPolarHBondContact O-CB 3.47Å |
| 99 | D | 94.9 | Very high | 93.2 | Very high | 16 Ų | 16 | 32.6 Ų | 32.6 | 9% | 0.086 | 20% | 0.2 | C | C | . | . | trans | -51.8 | 146.2 | 176.2 | -167.7 | -72.1 | 0 | 0 | 0 | 111.3 | K56 R63 N96 S101 I104 R105 | K56-D99 IonicContact NZ-OD2 3.87Å; K56-D99 PolarHBondContact NZ-OD2 2.84Å; R63-D99 IonicContact CZ-OD2 2.65Å; R63-D99 IonicContact NH2-OD2 3.95Å; R63-D99 PolarHBondContact NH2-OD2 3.13Å; N96-D99 PolarHBondContact O-N 3.15Å; D99-S101 VanDerWaalsContact C-N 3.27Å; D99-S101 PolarHBondContact O-N 3.4Å; D99-S101 PolarHBondContact OD1-N 3.44Å; D99-I104 HydrophobicContact CB-CB 4.13Å; D99-I104 HydrophobicContact CB-CG2 3.81Å; D99-R105 HydrophobicContact CB-CG 4.09Å; D99-R105 WeakPolarHBondContact O-CD 3.36Å; D99-R105 WeakPolarHBondContact O-CG 3.47Å; D99-R105 PolarHBondContact O-NH1 3.38Å | ||
| 100 | A | 91.9 | Very high | 93 | Very high | 85 Ų | 85 | 35.8 Ų | 35.8 | 70% | 0.702 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -65.3 | -30.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R105 | A100-R105 PolarHBondContact O-NH1 3.43Å; A100-R105 VanDerWaalsContact O-NH1 3.13Å |
| 101 | S | 92.6 | Very high | 93 | Very high | 9 Ų | 9 | 34.8 Ų | 34.8 | 6% | 0.063 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -81 | 124.7 | 176.7 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | E60 D99 L103 I104 R105 | E60-S101 PolarHBondContact OE2-OG 3.24Å; D99-S101 VanDerWaalsContact C-N 3.27Å; D99-S101 PolarHBondContact O-N 3.4Å; D99-S101 PolarHBondContact OD1-N 3.44Å; S101-L103 PolarHBondContact O-N 3.36Å; S101-L103 PolarHBondContact OG-N 2.91Å; S101-I104 PolarHBondContact O-N 2.86Å; S101-I104 PolarHBondContact OG-N 3.43Å; S101-R105 PolarHBondContact O-N 3.14Å |
| 102 | S | 89.7 | Confident | 93.1 | Very high | 78 Ų | 78 | 29.4 Ų | 29.4 | 55% | 0.545 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.1 | -32.9 | 175.1 | 56.4 | 0 | 0 | 0 | 0 | 112.5 | R105 A106 | S102-R105 PolarHBondContact O-N 3.33Å; S102-A106 WeakPolarHBondContact O-CB 3.34Å; S102-A106 PolarHBondContact O-N 3.39Å |
| 103 | L | 91.5 | Very high | 92.8 | Very high | 72 Ų | 72 | 29.6 Ų | 29.6 | 38% | 0.377 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.2 | -43.9 | 176.4 | 177.5 | 62.2 | 0 | 0 | 0 | 110.9 | E60 S101 A106 T107 | E60-L103 HydrophobicContact CB-CD2 4.24Å; S101-L103 PolarHBondContact O-N 3.36Å; S101-L103 PolarHBondContact OG-N 2.91Å; L103-A106 PolarHBondContact O-N 2.84Å; L103-T107 PolarHBondContact O-N 2.7Å; L103-T107 PolarHBondContact O-OG1 2.84Å; L103-T107 VanDerWaalsContact O-OG1 3.11Å |
| 104 | I | 93.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.4 | -42.5 | 178.6 | -58.2 | -59.4 | 0 | 0 | 0 | 110.9 | L52 R63 D99 S101 A106 T107 I108 | L52-I104 HydrophobicContact CD1-CD1 4.05Å; L52-I104 HydrophobicContact CD1-CG2 4.12Å; R63-I104 HydrophobicContact CB-CD1 3.64Å; D99-I104 HydrophobicContact CB-CB 4.13Å; D99-I104 HydrophobicContact CB-CG2 3.81Å; S101-I104 PolarHBondContact O-N 2.86Å; S101-I104 PolarHBondContact OG-N 3.43Å; I104-A106 VanDerWaalsContact C-N 3.33Å; I104-A106 PolarHBondContact O-N 3.25Å; I104-T107 PolarHBondContact O-N 3.47Å; I104-I108 HydrophobicContact CG2-CD1 3.79Å; I104-I108 HydrophobicContact CG2-CG1 4.33Å; I104-I108 WeakPolarHBondContact O-CG1 3.17Å; I104-I108 PolarHBondContact O-N 3.06Å |
| 105 | R | 92.4 | Very high | 92.6 | Very high | 21 Ų | 21 | 30 Ų | 30 | 8% | 0.079 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.9 | -45.2 | 174.4 | -68.7 | -161.5 | -58.2 | -85.2 | 7.7 | 112 | I97 D99 A100 S101 S102 T107 I108 G109 N141 E144 | I97-R105 VanDerWaalsContact O-CD 3.25Å; I97-R105 WeakPolarHBondContact O-CD 3.25Å; I97-R105 VanDerWaalsContact O-CG 3.31Å; I97-R105 WeakPolarHBondContact O-CG 3.49Å; D99-R105 HydrophobicContact CB-CG 4.09Å; D99-R105 WeakPolarHBondContact O-CD 3.36Å; D99-R105 WeakPolarHBondContact O-CG 3.47Å; D99-R105 PolarHBondContact O-NH1 3.38Å; A100-R105 PolarHBondContact O-NH1 3.43Å; A100-R105 VanDerWaalsContact O-NH1 3.13Å; S101-R105 PolarHBondContact O-N 3.14Å; S102-R105 PolarHBondContact O-N 3.33Å; R105-T107 PolarHBondContact O-N 2.85Å; R105-I108 PolarHBondContact O-N 3.42Å; R105-G109 PolarHBondContact O-N 3.41Å; R105-N141 WeakPolarHBondContact CD-O 3.45Å; R105-N141 PolarHBondContact NH1-OD1 3.15Å; R105-N141 VanDerWaalsContact NH1-OD1 3.16Å; R105-E144 IonicContact CZ-OE2 2.89Å; R105-E144 IonicContact NE-OE2 2.66Å; R105-E144 PolarHBondContact NE-OE2 3.38Å; R105-E144 IonicContact NH2-OE2 2.87Å; R105-E144 PolarHBondContact NH2-OE2 2.68Å |
| 106 | A | 89.2 | Confident | 92.4 | Very high | 53 Ų | 53 | 24.3 Ų | 24.3 | 44% | 0.438 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -59.4 | -46.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S102 L103 I104 I108 G109 I110 | S102-A106 WeakPolarHBondContact O-CB 3.34Å; S102-A106 PolarHBondContact O-N 3.39Å; L103-A106 PolarHBondContact O-N 2.84Å; I104-A106 VanDerWaalsContact C-N 3.33Å; I104-A106 PolarHBondContact O-N 3.25Å; A106-I108 PolarHBondContact O-N 3.17Å; A106-G109 PolarHBondContact O-N 3.17Å; A106-I110 VanDerWaalsContact O-CG1 3.3Å; A106-I110 WeakPolarHBondContact O-CG1 3.42Å; A106-I110 PolarHBondContact O-N 3.49Å |
| 107 | T | 93.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 26 Ų | 26 | 3% | 0.025 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.9 | -38.8 | 178.3 | -60.7 | 0 | 0 | 0 | 0 | 112.6 | L52 S64 L68 L103 I104 R105 I110 L111 | L52-T107 HydrophobicContact CD1-CG2 3.95Å; L52-T107 HydrophobicContact CD2-CG2 4.23Å; S64-T107 PolarHBondContact OG-OG1 3.42Å; L68-T107 HydrophobicContact CG-CG2 4.46Å; L103-T107 PolarHBondContact O-N 2.7Å; L103-T107 PolarHBondContact O-OG1 2.84Å; L103-T107 VanDerWaalsContact O-OG1 3.11Å; I104-T107 PolarHBondContact O-N 3.47Å; R105-T107 PolarHBondContact O-N 2.85Å; T107-I110 PolarHBondContact O-N 3.38Å; T107-L111 PolarHBondContact O-N 3.47Å |
| 108 | I | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.6 | -44.6 | 174.3 | -69.6 | 171.3 | 0 | 0 | 0 | 110.7 | L52 T53 C93 N96 I97 I104 R105 A106 I110 L111 I112 | L52-I108 HydrophobicContact CD2-CG1 3.89Å; L52-I108 HydrophobicContact CG-CG1 4.34Å; T53-I108 HydrophobicContact CG2-CD1 4.32Å; C93-I108 HydrophobicContact CB-CG2 4.06Å; C93-I108 VanDerWaalsContact O-CG2 3.27Å; C93-I108 WeakPolarHBondContact O-CG2 3.48Å; N96-I108 HydrophobicContact CB-CD1 3.68Å; N96-I108 WeakPolarHBondContact O-CD1 3.48Å; I97-I108 HydrophobicContact CB-CG2 4.45Å; I97-I108 HydrophobicContact CG1-CG2 4.43Å; I104-I108 HydrophobicContact CG2-CD1 3.79Å; I104-I108 HydrophobicContact CG2-CG1 4.33Å; I104-I108 WeakPolarHBondContact O-CG1 3.17Å; I104-I108 PolarHBondContact O-N 3.06Å; R105-I108 PolarHBondContact O-N 3.42Å; A106-I108 PolarHBondContact O-N 3.17Å; I108-I110 VanDerWaalsContact C-N 3.35Å; I108-I110 PolarHBondContact O-N 3.12Å; I108-L111 WeakPolarHBondContact O-CB 3.24Å; I108-L111 PolarHBondContact O-N 2.96Å; I108-L111 VanDerWaalsContact O-N 3.15Å; I108-I112 HydrophobicContact CG2-CD1 3.96Å; I108-I112 HydrophobicContact CG2-CG1 4.45Å; I108-I112 WeakPolarHBondContact O-CG1 3.45Å; I108-I112 PolarHBondContact O-N 3.27Å |
| 109 | G | 91.1 | Very high | 91.2 | Very high | 10 Ų | 10 | 30.2 Ų | 30.2 | 10% | 0.103 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.8 | -46.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R105 A106 L111 I112 T113 | R105-G109 PolarHBondContact O-N 3.41Å; A106-G109 PolarHBondContact O-N 3.17Å; G109-L111 VanDerWaalsContact C-N 3.31Å; G109-L111 PolarHBondContact O-N 2.75Å; G109-I112 PolarHBondContact O-N 3.49Å; G109-T113 VanDerWaalsContact O-CG2 3.24Å; G109-T113 WeakPolarHBondContact O-CG2 3.15Å; G109-T113 PolarHBondContact O-N 2.84Å; G109-T113 PolarHBondContact O-OG1 3.01Å |
| 110 | I | 90.1 | Very high | 90.7 | Very high | 71 Ų | 71 | 35.1 Ų | 35.1 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.1 | -39.6 | 175.4 | -69.6 | 165.4 | 0 | 0 | 0 | 111.8 | K71 A106 T107 I108 T113 T114 | K71-I110 HydrophobicContact CD-CG2 3.39Å; K71-I110 HydrophobicContact CG-CG2 3.81Å; A106-I110 VanDerWaalsContact O-CG1 3.3Å; A106-I110 WeakPolarHBondContact O-CG1 3.42Å; A106-I110 PolarHBondContact O-N 3.49Å; T107-I110 PolarHBondContact O-N 3.38Å; I108-I110 VanDerWaalsContact C-N 3.35Å; I108-I110 PolarHBondContact O-N 3.12Å; I110-T113 WeakPolarHBondContact CA-OG1 3.49Å; I110-T113 PolarHBondContact O-OG1 2.76Å; I110-T114 VanDerWaalsContact O-CB 3.29Å; I110-T114 WeakPolarHBondContact O-CB 3.46Å; I110-T114 PolarHBondContact O-N 3.08Å; I110-T114 PolarHBondContact O-OG1 3.16Å |
| 111 | L | 94.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.8 | -46.1 | 176.1 | -83.5 | 170.6 | 0 | 0 | 0 | 111.6 | I49 L52 L70 K71 T107 I108 G109 T113 T114 I115 | I49-L111 HydrophobicContact CD1-CD1 4.37Å; L52-L111 HydrophobicContact CD2-CD1 3.46Å; L52-L111 VanDerWaalsContact CD2-CD1 3.46Å; L70-L111 HydrophobicContact CB-CD2 4.13Å; L70-L111 HydrophobicContact CD2-CD1 4.12Å; L70-L111 HydrophobicContact CD2-CD2 4.12Å; L70-L111 HydrophobicContact CG-CD2 3.86Å; K71-L111 HydrophobicContact CB-CD2 3.85Å; T107-L111 PolarHBondContact O-N 3.47Å; I108-L111 WeakPolarHBondContact O-CB 3.24Å; I108-L111 PolarHBondContact O-N 2.96Å; I108-L111 VanDerWaalsContact O-N 3.15Å; G109-L111 VanDerWaalsContact C-N 3.31Å; G109-L111 PolarHBondContact O-N 2.75Å; L111-T113 VanDerWaalsContact C-N 3.32Å; L111-T113 PolarHBondContact O-N 3.41Å; L111-T114 PolarHBondContact O-N 3.2Å; L111-I115 WeakPolarHBondContact O-CB 3.34Å; L111-I115 WeakPolarHBondContact O-CD1 3.48Å; L111-I115 WeakPolarHBondContact O-CG1 3.46Å; L111-I115 PolarHBondContact O-N 2.89Å |
| 112 | I | 94.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.7 | -48.4 | 176.9 | -69.9 | 170.8 | 0 | 0 | 0 | 110.2 | C93 L94 I97 I108 G109 I115 A116 W124 L127 A149 I153 | C93-I112 HydrophobicContact CB-CD1 4.09Å; C93-I112 HydrophobicContact CB-CG1 3.7Å; L94-I112 HydrophobicContact CD2-CD1 4.38Å; I97-I112 HydrophobicContact CD1-CD1 3.67Å; I97-I112 HydrophobicContact CG1-CD1 4.23Å; I108-I112 HydrophobicContact CG2-CD1 3.96Å; I108-I112 HydrophobicContact CG2-CG1 4.45Å; I108-I112 WeakPolarHBondContact O-CG1 3.45Å; I108-I112 PolarHBondContact O-N 3.27Å; G109-I112 PolarHBondContact O-N 3.49Å; I112-I115 PolarHBondContact O-N 3.47Å; I112-A116 WeakPolarHBondContact O-CB 3.24Å; I112-A116 PolarHBondContact O-N 3.02Å; I112-W124 HydrophobicContact CG1-CH2 4.48Å; I112-W124 HydrophobicContact CG2-CZ3 4.42Å; I112-L127 HydrophobicContact CG2-CD1 3.77Å; I112-L127 HydrophobicContact CG2-CD2 4.19Å; I112-A149 HydrophobicContact CG2-CB 4.41Å; I112-I153 HydrophobicContact CG2-CD1 4.45Å |
| 113 | T | 89.9 | Confident | 90 | Very high | 11 Ų | 11 | 37.8 Ų | 37.8 | 7% | 0.067 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69 | -38.6 | -177.4 | 61.5 | 0 | 0 | 0 | 0 | 111.9 | G109 I110 L111 I115 A116 S117 K152 I153 | G109-T113 VanDerWaalsContact O-CG2 3.24Å; G109-T113 WeakPolarHBondContact O-CG2 3.15Å; G109-T113 PolarHBondContact O-N 2.84Å; G109-T113 PolarHBondContact O-OG1 3.01Å; I110-T113 WeakPolarHBondContact CA-OG1 3.49Å; I110-T113 PolarHBondContact O-OG1 2.76Å; L111-T113 VanDerWaalsContact C-N 3.32Å; L111-T113 PolarHBondContact O-N 3.41Å; T113-I115 PolarHBondContact O-N 2.93Å; T113-A116 PolarHBondContact O-N 3.18Å; T113-S117 WeakPolarHBondContact O-CB 3.49Å; T113-S117 PolarHBondContact O-N 2.89Å; T113-K152 HydrophobicContact CG2-CB 3.5Å; T113-K152 HydrophobicContact CG2-CG 3.56Å; T113-I153 HydrophobicContact CG2-CG1 4.07Å |
| 114 | T | 91.4 | Very high | 90 | Very high | 23 Ų | 23 | 34.9 Ų | 34.9 | 14% | 0.141 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.1 | -41.1 | 175 | -55 | 0 | 0 | 0 | 0 | 111.4 | K71 V74 K75 I110 L111 K118 | K71-T114 HydrophobicContact CG-CG2 4Å; K71-T114 VanDerWaalsContact CG-OG1 3.31Å; K71-T114 WeakPolarHBondContact CG-OG1 3.31Å; V74-T114 HydrophobicContact CB-CG2 4.27Å; V74-T114 HydrophobicContact CG1-CG2 3.8Å; K75-T114 HydrophobicContact CB-CG2 4.42Å; I110-T114 VanDerWaalsContact O-CB 3.29Å; I110-T114 WeakPolarHBondContact O-CB 3.46Å; I110-T114 PolarHBondContact O-N 3.08Å; I110-T114 PolarHBondContact O-OG1 3.16Å; L111-T114 PolarHBondContact O-N 3.2Å; T114-K118 HydrophobicContact CG2-CG 4.45Å; T114-K118 WeakPolarHBondContact O-CB 3.24Å; T114-K118 PolarHBondContact O-N 3.42Å |
| 115 | I | 92.7 | Very high | 89.7 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.6 | -44.5 | 176.3 | -68.9 | 165.4 | 0 | 0 | 0 | 110.4 | V74 Y78 I89 K90 L111 I112 T113 S117 G119 W124 | V74-I115 HydrophobicContact CG1-CG1 3.85Å; V74-I115 HydrophobicContact CG2-CG1 4.16Å; Y78-I115 HydrophobicContact CE2-CG1 4.29Å; Y78-I115 HydrophobicContact CE2-CG2 3.9Å; Y78-I115 WeakPolarHBondContact OH-CG2 3.48Å; I89-I115 HydrophobicContact CG2-CD1 3.7Å; K90-I115 HydrophobicContact CG-CG2 4.37Å; L111-I115 WeakPolarHBondContact O-CB 3.34Å; L111-I115 WeakPolarHBondContact O-CD1 3.48Å; L111-I115 WeakPolarHBondContact O-CG1 3.46Å; L111-I115 PolarHBondContact O-N 2.89Å; I112-I115 PolarHBondContact O-N 3.47Å; T113-I115 PolarHBondContact O-N 2.93Å; I115-S117 VanDerWaalsContact C-N 3.34Å; I115-S117 PolarHBondContact O-N 3.03Å; I115-G119 VanDerWaalsContact O-CA 3.31Å; I115-G119 WeakPolarHBondContact O-CA 3.45Å; I115-G119 PolarHBondContact O-N 3.42Å; I115-W124 HydrophobicContact CB-CE3 4.47Å; I115-W124 HydrophobicContact CB-CZ3 3.99Å; I115-W124 HydrophobicContact CG2-CE3 3.66Å; I115-W124 HydrophobicContact CG2-CZ3 3.54Å |
| 116 | A | 89.6 | Confident | 89.6 | Confident | 5 Ų | 5 | 42.8 Ų | 42.8 | 4% | 0.041 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61 | -42.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I112 T113 E120 L121 L127 | I112-A116 WeakPolarHBondContact O-CB 3.24Å; I112-A116 PolarHBondContact O-N 3.02Å; T113-A116 PolarHBondContact O-N 3.18Å; A116-E120 CarbonylContact O-C 3.11Å; A116-E120 VanDerWaalsContact O-C 3.31Å; A116-E120 WeakPolarHBondContact O-CA 3.42Å; A116-E120 PolarHBondContact O-N 3.29Å; A116-L121 HydrophobicContact CB-CD1 4.12Å; A116-L121 PolarHBondContact O-N 3.46Å; A116-L121 VanDerWaalsContact O-N 3.17Å; A116-L127 HydrophobicContact CB-CD2 3.94Å |
| 117 | S | 87.6 | Confident | 89.8 | Confident | 67 Ų | 67 | 40.2 Ų | 40.2 | 47% | 0.469 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -68.7 | -49.1 | 178.3 | 174.4 | 0 | 0 | 0 | 0 | 112.5 | T113 I115 | T113-S117 WeakPolarHBondContact O-CB 3.49Å; T113-S117 PolarHBondContact O-N 2.89Å; I115-S117 VanDerWaalsContact C-N 3.34Å; I115-S117 PolarHBondContact O-N 3.03Å |
| 118 | K | 87.8 | Confident | 89.8 | Confident | 95 Ų | 95 | 40.7 Ų | 40.7 | 41% | 0.413 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -84.1 | -25.1 | -174.7 | -69.5 | -69.1 | 177.7 | -160.7 | 0 | 114.7 | V74 T114 | V74-K118 HydrophobicContact CG1-CB 4.46Å; T114-K118 HydrophobicContact CG2-CG 4.45Å; T114-K118 WeakPolarHBondContact O-CB 3.24Å; T114-K118 PolarHBondContact O-N 3.42Å |
| 119 | G | 82.1 | Confident | 89.7 | Confident | 12 Ų | 12 | 44.1 Ų | 44.1 | 12% | 0.124 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -91.1 | -3.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y78 I115 M123 | Y78-G119 VanDerWaalsContact CD1-CA 3.46Å; I115-G119 VanDerWaalsContact O-CA 3.31Å; I115-G119 WeakPolarHBondContact O-CA 3.45Å; I115-G119 PolarHBondContact O-N 3.42Å; G119-M123 VanDerWaalsContact O-CB 3.25Å; G119-M123 WeakPolarHBondContact O-CB 3.41Å; G119-M123 VanDerWaalsContact O-CG 3.31Å; G119-M123 WeakPolarHBondContact O-CG 3.43Å |
| 120 | E | 84.2 | Confident | 89.8 | Confident | 120 Ų | 120 | 47.5 Ų | 47.5 | 56% | 0.561 | 25% | 0.251 | S | S | * | . | trans | 63.1 | 127 | -167.1 | -55.7 | 172.7 | -166.1 | 0 | 0 | 112.3 | A116 Q122 M123 | A116-E120 CarbonylContact O-C 3.11Å; A116-E120 VanDerWaalsContact O-C 3.31Å; A116-E120 WeakPolarHBondContact O-CA 3.42Å; A116-E120 PolarHBondContact O-N 3.29Å; E120-Q122 PolarHBondContact O-N 2.93Å; E120-Q122 VanDerWaalsContact O-N 3.09Å; E120-M123 HydrophobicContact CB-CG 4.2Å; E120-M123 WeakPolarHBondContact O-CB 3.47Å; E120-M123 PolarHBondContact O-N 3.5Å | ||
| 121 | L | 85.8 | Confident | 90.1 | Very high | 6 Ų | 6 | 44.1 Ų | 44.1 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -58.6 | -29.9 | -175.7 | -173.8 | 57.8 | 0 | 0 | 0 | 112.9 | A116 M123 W124 L127 L128 I153 L161 L166 | A116-L121 HydrophobicContact CB-CD1 4.12Å; A116-L121 PolarHBondContact O-N 3.46Å; A116-L121 VanDerWaalsContact O-N 3.17Å; L121-M123 PolarHBondContact O-N 2.87Å; L121-W124 PolarHBondContact O-N 3.34Å; L121-L127 HydrophobicContact CD1-CD2 3.9Å; L121-L128 HydrophobicContact CD1-CD2 4.43Å; L121-L128 HydrophobicContact CD1-CG 4.39Å; L121-L128 HydrophobicContact CD2-CD1 4.24Å; L121-I153 HydrophobicContact CD2-CG2 4.28Å; L121-L161 HydrophobicContact CD2-CD2 3.87Å; L121-L166 HydrophobicContact CB-CD1 4.46Å; L121-L166 HydrophobicContact CD2-CD1 3.65Å; L121-L166 HydrophobicContact CG-CD1 3.96Å |
| 122 | Q | 86 | Confident | 90 | Very high | 92 Ų | 92 | 44.7 Ų | 44.7 | 43% | 0.43 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -63 | -27.1 | 176.8 | -61 | 173.8 | 16.6 | 0 | 0 | 112.9 | E120 W124 L166 | E120-Q122 PolarHBondContact O-N 2.93Å; E120-Q122 VanDerWaalsContact O-N 3.09Å; Q122-W124 VanDerWaalsContact C-N 3.26Å; Q122-W124 PolarHBondContact O-N 3.4Å; Q122-L166 HydrophobicContact CB-CD2 4.22Å; Q122-L166 HydrophobicContact CG-CD2 3.67Å; Q122-L166 HydrophobicContact CG-CG 4.25Å |
| 123 | M | 87.7 | Confident | 90 | Very high | 129 Ų | 129 | 49.8 Ų | 49.8 | 64% | 0.635 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -85.4 | 2.9 | -179.9 | -58.4 | -62.6 | -68.8 | 0 | 0 | 113 | K90 G119 E120 L121 | K90-M123 PolarHBondContact NZ-O 3.41Å; G119-M123 VanDerWaalsContact O-CB 3.25Å; G119-M123 WeakPolarHBondContact O-CB 3.41Å; G119-M123 VanDerWaalsContact O-CG 3.31Å; G119-M123 WeakPolarHBondContact O-CG 3.43Å; E120-M123 HydrophobicContact CB-CG 4.2Å; E120-M123 WeakPolarHBondContact O-CB 3.47Å; E120-M123 PolarHBondContact O-N 3.5Å; L121-M123 PolarHBondContact O-N 2.87Å |
| 124 | W | 90.8 | Very high | 90.3 | Very high | 12 Ų | 12 | 51.6 Ų | 51.6 | 5% | 0.045 | 27% | 0.274 | C | S | . | . | trans | -133.5 | 66.4 | 172.5 | -164.1 | -3.8 | 0 | 0 | 0 | 111 | K90 L94 I112 I115 L121 Q122 E126 L127 | K90-W124 HydrophobicContact CB-CH2 3.81Å; K90-W124 HydrophobicContact CB-CZ2 3.41Å; K90-W124 VanDerWaalsContact CB-CZ2 3.41Å; K90-W124 HydrophobicContact CD-CD2 3.75Å; K90-W124 HydrophobicContact CD-CE3 4.15Å; K90-W124 HydrophobicContact CD-CG 4.1Å; K90-W124 HydrophobicContact CD-CH2 4.49Å; K90-W124 HydrophobicContact CD-CZ2 4.11Å; K90-W124 HydrophobicContact CG-CD2 3.94Å; K90-W124 HydrophobicContact CG-CE3 3.99Å; K90-W124 HydrophobicContact CG-CH2 3.62Å; K90-W124 HydrophobicContact CG-CZ2 3.53Å; K90-W124 HydrophobicContact CG-CZ3 3.85Å; L94-W124 HydrophobicContact CD1-CZ2 3.59Å; L94-W124 HydrophobicContact CD2-CZ2 4.49Å; L94-W124 HydrophobicContact CG-CZ2 3.95Å; I112-W124 HydrophobicContact CG1-CH2 4.48Å; I112-W124 HydrophobicContact CG2-CZ3 4.42Å; I115-W124 HydrophobicContact CB-CE3 4.47Å; I115-W124 HydrophobicContact CB-CZ3 3.99Å; I115-W124 HydrophobicContact CG2-CE3 3.66Å; I115-W124 HydrophobicContact CG2-CZ3 3.54Å; L121-W124 PolarHBondContact O-N 3.34Å; Q122-W124 VanDerWaalsContact C-N 3.26Å; Q122-W124 PolarHBondContact O-N 3.4Å; W124-E126 PolarHBondContact O-N 3.47Å; W124-E126 VanDerWaalsContact O-N 3.17Å; W124-L127 HydrophobicContact CB-CB 4.32Å; W124-L127 HydrophobicContact CD2-CB 3.83Å; W124-L127 HydrophobicContact CD2-CD1 4.25Å; W124-L127 HydrophobicContact CD2-CD2 4.11Å; W124-L127 HydrophobicContact CD2-CG 4.28Å; W124-L127 HydrophobicContact CE3-CB 4.39Å; W124-L127 HydrophobicContact CE3-CD1 4.3Å; W124-L127 HydrophobicContact CE3-CD2 3.79Å; W124-L127 HydrophobicContact CE3-CG 4.38Å; W124-L127 HydrophobicContact CG-CB 3.79Å; W124-L127 HydrophobicContact CH2-CD1 3.96Å; W124-L127 HydrophobicContact CZ2-CD1 3.91Å; W124-L127 HydrophobicContact CZ3-CD1 4.15Å; W124-L127 HydrophobicContact CZ3-CD2 4.13Å; W124-L127 VanDerWaalsContact O-CB 3.3Å; W124-L127 WeakPolarHBondContact O-CB 3.36Å; W124-L127 PolarHBondContact O-N 2.94Å; W124-L127 VanDerWaalsContact O-N 3.09Å | ||
| 125 | P | 87.5 | Confident | 90.5 | Very high | 83 Ų | 83 | 50.7 Ų | 50.7 | 54% | 0.539 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -24.6 | -170.6 | 26.1 | -34.5 | 0 | 0 | 0 | 113.7 | L127 P129 | P125-L127 VanDerWaalsContact C-N 3.32Å; P125-P129 VanDerWaalsContact O-CD 3.32Å; P125-P129 WeakPolarHBondContact O-CD 3.49Å |
| 126 | E | 90.4 | Very high | 90.5 | Very high | 103 Ų | 103 | 54.9 Ų | 54.9 | 48% | 0.481 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -15 | 178.6 | -53.4 | 81.8 | -175 | 0 | 0 | 113.7 | W124 P129 Q130 | W124-E126 PolarHBondContact O-N 3.47Å; W124-E126 VanDerWaalsContact O-N 3.17Å; E126-P129 WeakPolarHBondContact O-CD 3.26Å; E126-Q130 HydrophobicContact CB-CG 4.4Å; E126-Q130 VanDerWaalsContact O-CB 3.22Å; E126-Q130 WeakPolarHBondContact O-CB 3.4Å; E126-Q130 WeakPolarHBondContact O-CG 3.48Å; E126-Q130 PolarHBondContact O-N 3.23Å |
| 127 | L | 93.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.6 | -60 | -171.4 | 178.7 | 59.7 | 0 | 0 | 0 | 112.6 | L94 I112 A116 L121 W124 P125 Q130 L131 I153 | L94-L127 HydrophobicContact CD2-CD1 3.89Å; I112-L127 HydrophobicContact CG2-CD1 3.77Å; I112-L127 HydrophobicContact CG2-CD2 4.19Å; A116-L127 HydrophobicContact CB-CD2 3.94Å; L121-L127 HydrophobicContact CD1-CD2 3.9Å; W124-L127 HydrophobicContact CB-CB 4.32Å; W124-L127 HydrophobicContact CD2-CB 3.83Å; W124-L127 HydrophobicContact CD2-CD1 4.25Å; W124-L127 HydrophobicContact CD2-CD2 4.11Å; W124-L127 HydrophobicContact CD2-CG 4.28Å; W124-L127 HydrophobicContact CE3-CB 4.39Å; W124-L127 HydrophobicContact CE3-CD1 4.3Å; W124-L127 HydrophobicContact CE3-CD2 3.79Å; W124-L127 HydrophobicContact CE3-CG 4.38Å; W124-L127 HydrophobicContact CG-CB 3.79Å; W124-L127 HydrophobicContact CH2-CD1 3.96Å; W124-L127 HydrophobicContact CZ2-CD1 3.91Å; W124-L127 HydrophobicContact CZ3-CD1 4.15Å; W124-L127 HydrophobicContact CZ3-CD2 4.13Å; W124-L127 VanDerWaalsContact O-CB 3.3Å; W124-L127 WeakPolarHBondContact O-CB 3.36Å; W124-L127 PolarHBondContact O-N 2.94Å; W124-L127 VanDerWaalsContact O-N 3.09Å; P125-L127 VanDerWaalsContact C-N 3.32Å; L127-Q130 PolarHBondContact O-N 2.94Å; L127-L131 HydrophobicContact CD1-CD1 3.68Å; L127-L131 HydrophobicContact CD1-CG 3.94Å; L127-L131 HydrophobicContact CG-CD1 3.94Å; L127-L131 HydrophobicContact CG-CG 4.5Å; L127-L131 WeakPolarHBondContact O-CG 3.38Å; L127-L131 PolarHBondContact O-N 3.47Å; L127-I153 HydrophobicContact CD2-CD1 4Å; L127-I153 HydrophobicContact CG-CD1 4.5Å |
| 128 | L | 93.3 | Very high | 90.8 | Very high | 13 Ų | 13 | 63.4 Ų | 63.4 | 7% | 0.068 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.9 | -45.9 | -176.3 | -55.9 | 174 | 0 | 0 | 0 | 112.1 | L121 Q130 L131 C132 L150 I153 L161 P169 M173 | L121-L128 HydrophobicContact CD1-CD2 4.43Å; L121-L128 HydrophobicContact CD1-CG 4.39Å; L121-L128 HydrophobicContact CD2-CD1 4.24Å; L128-Q130 VanDerWaalsContact C-N 3.32Å; L128-Q130 PolarHBondContact O-N 2.84Å; L128-L131 PolarHBondContact O-N 3.24Å; L128-C132 WeakPolarHBondContact O-CB 3.34Å; L128-C132 PolarHBondContact O-N 2.94Å; L128-C132 PolarHBondContact O-SG 3.28Å; L128-L150 HydrophobicContact CD2-CD2 4.35Å; L128-I153 HydrophobicContact CD2-CD1 4.43Å; L128-I153 HydrophobicContact CD2-CG2 4.07Å; L128-L161 HydrophobicContact CD1-CD2 3.53Å; L128-L161 HydrophobicContact CD2-CD2 4.28Å; L128-P169 HydrophobicContact CD1-CB 3.84Å; L128-P169 HydrophobicContact CD1-CG 3.87Å; L128-M173 HydrophobicContact CB-SD 4.48Å; L128-M173 HydrophobicContact CD1-SD 4.27Å; L128-M173 HydrophobicContact CD2-CE 4.41Å; L128-M173 HydrophobicContact CD2-SD 4.49Å |
| 129 | P | 92.8 | Very high | 91 | Very high | 72 Ų | 72 | 62 Ų | 62 | 47% | 0.468 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.8 | -41.3 | 174.6 | -25.3 | 35.2 | 0 | 0 | 0 | 113.2 | P125 E126 N133 | P125-P129 VanDerWaalsContact O-CD 3.32Å; P125-P129 WeakPolarHBondContact O-CD 3.49Å; E126-P129 WeakPolarHBondContact O-CD 3.26Å; P129-N133 WeakPolarHBondContact O-CB 3.27Å; P129-N133 VanDerWaalsContact O-CG 3.22Å; P129-N133 PolarHBondContact O-N 3.47Å; P129-N133 PolarHBondContact O-ND2 3.3Å |
| 130 | Q | 93.9 | Very high | 91.6 | Very high | 81 Ų | 81 | 65.9 Ų | 65.9 | 38% | 0.379 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69.1 | -45.2 | 179.5 | -74.9 | 176.4 | -13.2 | 0 | 0 | 111.9 | E126 L127 L128 C132 N133 L134 | E126-Q130 HydrophobicContact CB-CG 4.4Å; E126-Q130 VanDerWaalsContact O-CB 3.22Å; E126-Q130 WeakPolarHBondContact O-CB 3.4Å; E126-Q130 WeakPolarHBondContact O-CG 3.48Å; E126-Q130 PolarHBondContact O-N 3.23Å; L127-Q130 PolarHBondContact O-N 2.94Å; L128-Q130 VanDerWaalsContact C-N 3.32Å; L128-Q130 PolarHBondContact O-N 2.84Å; Q130-C132 VanDerWaalsContact C-N 3.32Å; Q130-C132 PolarHBondContact O-N 3.47Å; Q130-N133 WeakPolarHBondContact O-CB 3.21Å; Q130-N133 PolarHBondContact O-N 2.89Å; Q130-N133 VanDerWaalsContact O-N 3.12Å; Q130-L134 VanDerWaalsContact O-CG 3.28Å; Q130-L134 WeakPolarHBondContact O-CG 3.49Å; Q130-L134 PolarHBondContact O-N 3.29Å |
| 131 | L | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59 | -43.6 | 175 | -70.2 | 175.9 | 0 | 0 | 0 | 111.5 | L94 I97 L127 L128 N133 L134 L135 A146 A149 L150 I153 | L94-L131 HydrophobicContact CD2-CD2 4.05Å; L94-L131 HydrophobicContact CD2-CG 4.46Å; I97-L131 HydrophobicContact CD1-CD2 3.48Å; I97-L131 VanDerWaalsContact CD1-CD2 3.48Å; L127-L131 HydrophobicContact CD1-CD1 3.68Å; L127-L131 HydrophobicContact CD1-CG 3.94Å; L127-L131 HydrophobicContact CG-CD1 3.94Å; L127-L131 HydrophobicContact CG-CG 4.5Å; L127-L131 WeakPolarHBondContact O-CG 3.38Å; L127-L131 PolarHBondContact O-N 3.47Å; L128-L131 PolarHBondContact O-N 3.24Å; L131-N133 VanDerWaalsContact C-N 3.3Å; L131-N133 PolarHBondContact O-N 3.3Å; L131-L134 HydrophobicContact CD2-CD1 4.48Å; L131-L134 PolarHBondContact O-N 2.95Å; L131-L135 PolarHBondContact O-N 3.36Å; L131-A146 HydrophobicContact CD2-CB 4.32Å; L131-A149 HydrophobicContact CD1-CB 4.31Å; L131-A149 HydrophobicContact CD2-CB 4.28Å; L131-L150 HydrophobicContact CB-CD1 4.03Å; L131-L150 HydrophobicContact CB-CD2 3.8Å; L131-L150 HydrophobicContact CB-CG 3.85Å; L131-L150 HydrophobicContact CD1-CD2 3.9Å; L131-L150 HydrophobicContact CD1-CG 4.07Å; L131-I153 HydrophobicContact CD1-CD1 3.75Å |
| 132 | C | 94.2 | Very high | 92.5 | Very high | 12 Ų | 12 | 62.9 Ų | 62.9 | 8% | 0.081 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.6 | -35.8 | 175.4 | -70.1 | 0 | 0 | 0 | 0 | 112.9 | L128 Q130 L135 | L128-C132 WeakPolarHBondContact O-CB 3.34Å; L128-C132 PolarHBondContact O-N 2.94Å; L128-C132 PolarHBondContact O-SG 3.28Å; Q130-C132 VanDerWaalsContact C-N 3.32Å; Q130-C132 PolarHBondContact O-N 3.47Å; C132-L135 WeakPolarHBondContact O-CB 3.5Å; C132-L135 PolarHBondContact O-N 3.04Å |
| 133 | N | 94.4 | Very high | 92.9 | Very high | 108 Ų | 108 | 58.8 Ų | 58.8 | 58% | 0.578 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -68.9 | -39.4 | 175.1 | -75.2 | -27.1 | 0 | 0 | 0 | 111.8 | P129 Q130 L131 L135 N136 | P129-N133 WeakPolarHBondContact O-CB 3.27Å; P129-N133 VanDerWaalsContact O-CG 3.22Å; P129-N133 PolarHBondContact O-N 3.47Å; P129-N133 PolarHBondContact O-ND2 3.3Å; Q130-N133 WeakPolarHBondContact O-CB 3.21Å; Q130-N133 PolarHBondContact O-N 2.89Å; Q130-N133 VanDerWaalsContact O-N 3.12Å; L131-N133 VanDerWaalsContact C-N 3.3Å; L131-N133 PolarHBondContact O-N 3.3Å; N133-L135 PolarHBondContact O-N 3.3Å; N133-N136 WeakPolarHBondContact O-CB 3.2Å; N133-N136 PolarHBondContact O-N 3.18Å; N133-N136 PolarHBondContact O-ND2 3.45Å |
| 134 | L | 94.9 | Very high | 93.2 | Very high | 49 Ų | 49 | 53.3 Ų | 53.3 | 26% | 0.257 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.2 | -24.2 | 178.1 | -69.5 | 169.4 | 0 | 0 | 0 | 112.8 | I97 Q130 L131 N136 S137 T142 A146 | I97-L134 HydrophobicContact CG2-CD1 3.97Å; Q130-L134 VanDerWaalsContact O-CG 3.28Å; Q130-L134 WeakPolarHBondContact O-CG 3.49Å; Q130-L134 PolarHBondContact O-N 3.29Å; L131-L134 HydrophobicContact CD2-CD1 4.48Å; L131-L134 PolarHBondContact O-N 2.95Å; L134-N136 PolarHBondContact O-N 3.2Å; L134-S137 WeakPolarHBondContact O-CB 3.48Å; L134-S137 PolarHBondContact O-N 3.19Å; L134-T142 HydrophobicContact CB-CG2 4.17Å; L134-T142 HydrophobicContact CD2-CG2 3.79Å; L134-T142 HydrophobicContact CG-CG2 4.49Å; L134-A146 HydrophobicContact CB-CB 3.88Å |
| 135 | L | 94.9 | Very high | 93.3 | Very high | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -24 | 170.3 | -60.5 | -174 | 0 | 0 | 0 | 113.3 | L131 C132 N133 S137 C143 A146 F147 L150 F177 F180 | L131-L135 PolarHBondContact O-N 3.36Å; C132-L135 WeakPolarHBondContact O-CB 3.5Å; C132-L135 PolarHBondContact O-N 3.04Å; N133-L135 PolarHBondContact O-N 3.3Å; L135-S137 VanDerWaalsContact C-N 3.29Å; L135-C143 PolarHBondContact O-SG 2.91Å; L135-A146 HydrophobicContact CD2-CB 3.84Å; L135-F147 HydrophobicContact CD1-CE1 4.27Å; L135-F147 HydrophobicContact CD1-CE2 4.04Å; L135-F147 HydrophobicContact CD1-CZ 3.9Å; L135-F147 HydrophobicContact CD2-CB 4.31Å; L135-F147 HydrophobicContact CD2-CD1 4.37Å; L135-F147 HydrophobicContact CD2-CD2 3.4Å; L135-F147 HydrophobicContact CD2-CE2 3.66Å; L135-F147 HydrophobicContact CD2-CG 3.78Å; L135-F147 HydrophobicContact CD2-CZ 4.26Å; L135-F147 HydrophobicContact CG-CE2 4.36Å; L135-L150 HydrophobicContact CD1-CD1 3.83Å; L135-L150 HydrophobicContact CD2-CD1 4.1Å; L135-L150 HydrophobicContact CG-CD1 4.08Å; L135-F177 HydrophobicContact CD1-CD1 4.28Å; L135-F177 HydrophobicContact CD1-CE1 4.08Å; L135-F180 HydrophobicContact CB-CE2 4.01Å; L135-F180 HydrophobicContact CB-CZ 3.74Å; L135-F180 HydrophobicContact CD1-CE2 4.16Å; L135-F180 WeakPolarHBondContact O-CZ 3.36Å |
| 136 | N | 93.1 | Very high | 93.7 | Very high | 90 Ų | 90 | 49.1 Ų | 49.1 | 48% | 0.481 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 1.3 | 176.5 | -55.2 | -59.3 | 0 | 0 | 0 | 113.4 | N133 L134 K176 | N133-N136 WeakPolarHBondContact O-CB 3.2Å; N133-N136 PolarHBondContact O-N 3.18Å; N133-N136 PolarHBondContact O-ND2 3.45Å; L134-N136 PolarHBondContact O-N 3.2Å; N136-K176 WeakPolarHBondContact OD1-CE 3.41Å; N136-K176 PolarHBondContact OD1-NZ 3.31Å |
| 137 | S | 92.9 | Very high | 93.9 | Very high | 48 Ų | 48 | 44.2 Ų | 44.2 | 34% | 0.336 | 23% | 0.232 | S | C | . | . | trans | -63.2 | 141.1 | 178.3 | -172.9 | 0 | 0 | 0 | 0 | 111.1 | L134 L135 D139 | L134-S137 WeakPolarHBondContact O-CB 3.48Å; L134-S137 PolarHBondContact O-N 3.19Å; L135-S137 VanDerWaalsContact C-N 3.29Å; S137-D139 PolarHBondContact O-N 3.06Å; S137-D139 PolarHBondContact OG-N 3.12Å | ||
| 138 | E | 90.3 | Very high | 93.7 | Very high | 204 Ų | 204 | 45.5 Ų | 45.5 | 95% | 0.953 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -71.4 | -19.4 | 170.6 | -64.5 | -174.5 | 173.3 | 0 | 0 | 111.9 | Y140 | E138-Y140 PolarHBondContact O-N 3.38Š|
| 139 | D | 93.5 | Very high | 93.7 | Very high | 65 Ų | 65 | 45 Ų | 45 | 35% | 0.348 | 24% | 0.242 | S | C | . | . | trans | -78.4 | 118.1 | 175.4 | 174.8 | 51.7 | 0 | 0 | 0 | 111.4 | S137 N141 T142 C143 | S137-D139 PolarHBondContact O-N 3.06Å; S137-D139 PolarHBondContact OG-N 3.12Å; D139-N141 VanDerWaalsContact C-N 3.31Å; D139-N141 PolarHBondContact O-N 3.32Å; D139-T142 PolarHBondContact O-N 3.45Å; D139-T142 WeakPolarHBondContact OD2-CB 3.49Å; D139-T142 PolarHBondContact OD2-N 3.28Å; D139-T142 PolarHBondContact OD2-OG1 3.38Å; D139-C143 PolarHBondContact O-N 3.18Å; D139-C143 VanDerWaalsContact O-N 3.09Å | ||
| 140 | Y | 93.4 | Very high | 93.8 | Very high | 94 Ų | 94 | 41.5 Ų | 41.5 | 37% | 0.369 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -55.9 | -43.6 | -179.9 | 173.5 | -100.2 | 0 | 0 | 0 | 112.6 | E138 C143 E144 S185 I188 | E138-Y140 PolarHBondContact O-N 3.38Å; Y140-C143 PolarHBondContact O-N 2.93Å; Y140-E144 HydrophobicContact CE1-CB 4.42Å; Y140-E144 VanDerWaalsContact O-CB 3.31Å; Y140-E144 WeakPolarHBondContact O-CB 3.25Å; Y140-E144 PolarHBondContact O-N 3.29Å; Y140-S185 WeakPolarHBondContact CE2-OG 3.46Å; Y140-S185 PolarHBondContact OH-OG 3.41Å; Y140-I188 HydrophobicContact CD2-CD1 3.84Å; Y140-I188 HydrophobicContact CE2-CD1 3.61Å; Y140-I188 HydrophobicContact CE2-CG1 4.21Å |
| 141 | N | 94.6 | Very high | 93.8 | Very high | 40 Ų | 40 | 39.6 Ų | 39.6 | 21% | 0.214 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.1 | -38.3 | -176 | -67 | -42.8 | 0 | 0 | 0 | 111.4 | G98 R105 D139 G145 | G98-N141 WeakPolarHBondContact O-CB 3.47Å; R105-N141 WeakPolarHBondContact CD-O 3.45Å; R105-N141 PolarHBondContact NH1-OD1 3.15Å; R105-N141 VanDerWaalsContact NH1-OD1 3.16Å; D139-N141 VanDerWaalsContact C-N 3.31Å; D139-N141 PolarHBondContact O-N 3.32Å; N141-G145 PolarHBondContact O-N 3.46Å |
| 142 | T | 94.5 | Very high | 93.5 | Very high | 23 Ų | 23 | 43.1 Ų | 43.1 | 14% | 0.141 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63 | -46.8 | 174 | -60 | 0 | 0 | 0 | 0 | 111.5 | I97 L134 D139 A146 | I97-T142 HydrophobicContact CG2-CG2 4.38Å; L134-T142 HydrophobicContact CB-CG2 4.17Å; L134-T142 HydrophobicContact CD2-CG2 3.79Å; L134-T142 HydrophobicContact CG-CG2 4.49Å; D139-T142 PolarHBondContact O-N 3.45Å; D139-T142 WeakPolarHBondContact OD2-CB 3.49Å; D139-T142 PolarHBondContact OD2-N 3.28Å; D139-T142 PolarHBondContact OD2-OG1 3.38Å; T142-A146 VanDerWaalsContact O-CB 3.31Å; T142-A146 WeakPolarHBondContact O-CB 3.17Å; T142-A146 PolarHBondContact O-N 3.45Å |
| 143 | C | 94.4 | Very high | 93.4 | Very high | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.034 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.1 | -46.8 | 177.5 | -175 | 0 | 0 | 0 | 0 | 111.4 | L135 D139 Y140 A146 F147 I188 | L135-C143 PolarHBondContact O-SG 2.91Å; D139-C143 PolarHBondContact O-N 3.18Å; D139-C143 VanDerWaalsContact O-N 3.09Å; Y140-C143 PolarHBondContact O-N 2.93Å; C143-A146 PolarHBondContact O-N 3.17Å; C143-F147 PolarHBondContact O-N 3.29Å; C143-I188 HydrophobicContact CB-CD1 4.43Å |
| 144 | E | 93.8 | Very high | 93.3 | Very high | 15 Ų | 15 | 37.5 Ų | 37.5 | 7% | 0.07 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.7 | -44.2 | 180 | -174.2 | -95.7 | 165.8 | 0 | 0 | 112.7 | R105 Y140 A146 F147 G148 K187 H191 | R105-E144 IonicContact CZ-OE2 2.89Å; R105-E144 IonicContact NE-OE2 2.66Å; R105-E144 PolarHBondContact NE-OE2 3.38Å; R105-E144 IonicContact NH2-OE2 2.87Å; R105-E144 PolarHBondContact NH2-OE2 2.68Å; Y140-E144 HydrophobicContact CE1-CB 4.42Å; Y140-E144 VanDerWaalsContact O-CB 3.31Å; Y140-E144 WeakPolarHBondContact O-CB 3.25Å; Y140-E144 PolarHBondContact O-N 3.29Å; E144-A146 VanDerWaalsContact C-N 3.34Å; E144-A146 PolarHBondContact O-N 3.2Å; E144-F147 PolarHBondContact O-N 3.12Å; E144-G148 PolarHBondContact O-N 3.28Å; E144-K187 HydrophobicContact CG-CD 4.04Å; E144-K187 WeakPolarHBondContact OE1-CE 3.37Å; E144-K187 IonicContact OE1-NZ 2.81Å; E144-K187 PolarHBondContact OE1-NZ 3.05Å; E144-H191 IonicContact OE1-NE2 2.75Å |
| 145 | G | 92.9 | Very high | 93 | Very high | 7 Ų | 7 | 38.5 Ų | 38.5 | 7% | 0.072 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.3 | -39.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N141 G148 A149 | N141-G145 PolarHBondContact O-N 3.46Å; G145-G148 PolarHBondContact O-N 3Å; G145-A149 PolarHBondContact O-N 2.98Å; G145-A149 VanDerWaalsContact O-N 3.09Å |
| 146 | A | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.9 | -41.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | I97 L131 L134 L135 T142 C143 E144 A149 L150 | I97-A146 HydrophobicContact CD1-CB 4.31Å; L131-A146 HydrophobicContact CD2-CB 4.32Å; L134-A146 HydrophobicContact CB-CB 3.88Å; L135-A146 HydrophobicContact CD2-CB 3.84Å; T142-A146 VanDerWaalsContact O-CB 3.31Å; T142-A146 WeakPolarHBondContact O-CB 3.17Å; T142-A146 PolarHBondContact O-N 3.45Å; C143-A146 PolarHBondContact O-N 3.17Å; E144-A146 VanDerWaalsContact C-N 3.34Å; E144-A146 PolarHBondContact O-N 3.2Å; A146-A149 PolarHBondContact O-N 3.1Å; A146-L150 WeakPolarHBondContact O-CB 3.31Å; A146-L150 VanDerWaalsContact O-CG 3.29Å; A146-L150 WeakPolarHBondContact O-CG 3.17Å; A146-L150 PolarHBondContact O-N 3.35Å |
| 147 | F | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.5 | -43.3 | 173.6 | -105.4 | -59 | 0 | 0 | 0 | 112.7 | L135 C143 E144 A149 L150 Q151 F177 F180 I188 H191 A192 | L135-F147 HydrophobicContact CD1-CE1 4.27Å; L135-F147 HydrophobicContact CD1-CE2 4.04Å; L135-F147 HydrophobicContact CD1-CZ 3.9Å; L135-F147 HydrophobicContact CD2-CB 4.31Å; L135-F147 HydrophobicContact CD2-CD1 4.37Å; L135-F147 HydrophobicContact CD2-CD2 3.4Å; L135-F147 HydrophobicContact CD2-CE2 3.66Å; L135-F147 HydrophobicContact CD2-CG 3.78Å; L135-F147 HydrophobicContact CD2-CZ 4.26Å; L135-F147 HydrophobicContact CG-CE2 4.36Å; C143-F147 PolarHBondContact O-N 3.29Å; E144-F147 PolarHBondContact O-N 3.12Å; F147-A149 VanDerWaalsContact C-N 3.34Å; F147-A149 PolarHBondContact O-N 3.17Å; F147-L150 PolarHBondContact O-N 2.65Å; F147-Q151 WeakPolarHBondContact O-CB 3.38Å; F147-Q151 PolarHBondContact O-N 3.34Å; F147-F177 AromaticContact CE1-CD1 3.76Å; F147-F177 HydrophobicContact CE1-CD1 3.76Å; F147-F177 HydrophobicContact CE1-CE1 4.16Å; F147-F177 HydrophobicContact CE1-CG 4.48Å; F147-F177 HydrophobicContact CZ-CD1 4.16Å; F147-F180 HydrophobicContact CE2-CB 3.98Å; F147-F180 AromaticContact CE2-CD1 3.82Å; F147-F180 HydrophobicContact CE2-CD1 3.82Å; F147-F180 AromaticContact CE2-CD2 3.87Å; F147-F180 HydrophobicContact CE2-CD2 3.87Å; F147-F180 HydrophobicContact CE2-CE1 4.27Å; F147-F180 HydrophobicContact CE2-CE2 4.31Å; F147-F180 AromaticContact CE2-CG 3.61Å; F147-F180 HydrophobicContact CE2-CG 3.61Å; F147-F180 HydrophobicContact CZ-CB 3.81Å; F147-F180 HydrophobicContact CZ-CD1 4.39Å; F147-F180 AromaticContact CZ-CD2 3.68Å; F147-F180 HydrophobicContact CZ-CD2 3.68Å; F147-F180 HydrophobicContact CZ-CE2 4.36Å; F147-F180 AromaticContact CZ-CG 3.7Å; F147-F180 HydrophobicContact CZ-CG 3.7Å; F147-I188 HydrophobicContact CD2-CG2 3.97Å; F147-I188 HydrophobicContact CE2-CG2 3.75Å; F147-H191 HydrophobicContact CB-CB 3.74Å; F147-H191 HydrophobicContact CD1-CB 3.72Å; F147-H191 HydrophobicContact CG-CB 3.8Å; F147-A192 HydrophobicContact CE1-CB 4.03Å; F147-A192 HydrophobicContact CZ-CB 3.97Å |
| 148 | G | 90.9 | Very high | 92 | Very high | 27 Ų | 27 | 37.8 Ų | 37.8 | 28% | 0.278 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.6 | -41.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | E144 G145 K152 | E144-G148 PolarHBondContact O-N 3.28Å; G145-G148 PolarHBondContact O-N 3Å; G148-K152 PolarHBondContact O-N 3.37Å |
| 149 | A | 92.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.8 | -44.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | I97 I112 L131 G145 A146 F147 K152 I153 | I97-A149 HydrophobicContact CD1-CB 4.05Å; I112-A149 HydrophobicContact CG2-CB 4.41Å; L131-A149 HydrophobicContact CD1-CB 4.31Å; L131-A149 HydrophobicContact CD2-CB 4.28Å; G145-A149 PolarHBondContact O-N 2.98Å; G145-A149 VanDerWaalsContact O-N 3.09Å; A146-A149 PolarHBondContact O-N 3.1Å; F147-A149 VanDerWaalsContact C-N 3.34Å; F147-A149 PolarHBondContact O-N 3.17Å; A149-K152 PolarHBondContact O-N 2.83Å; A149-I153 VanDerWaalsContact O-CG1 3.27Å; A149-I153 WeakPolarHBondContact O-CG1 3.08Å; A149-I153 PolarHBondContact O-N 3.02Å |
| 150 | L | 95.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.3 | -42.6 | 178.4 | -76.7 | 167 | 0 | 0 | 0 | 112.2 | L128 L131 L135 A146 F147 K152 I153 C154 M173 F177 | L128-L150 HydrophobicContact CD2-CD2 4.35Å; L131-L150 HydrophobicContact CB-CD1 4.03Å; L131-L150 HydrophobicContact CB-CD2 3.8Å; L131-L150 HydrophobicContact CB-CG 3.85Å; L131-L150 HydrophobicContact CD1-CD2 3.9Å; L131-L150 HydrophobicContact CD1-CG 4.07Å; L135-L150 HydrophobicContact CD1-CD1 3.83Å; L135-L150 HydrophobicContact CD2-CD1 4.1Å; L135-L150 HydrophobicContact CG-CD1 4.08Å; A146-L150 WeakPolarHBondContact O-CB 3.31Å; A146-L150 VanDerWaalsContact O-CG 3.29Å; A146-L150 WeakPolarHBondContact O-CG 3.17Å; A146-L150 PolarHBondContact O-N 3.35Å; F147-L150 PolarHBondContact O-N 2.65Å; L150-K152 PolarHBondContact O-N 3.35Å; L150-I153 PolarHBondContact O-N 3.29Å; L150-C154 PolarHBondContact O-N 2.68Å; L150-C154 PolarHBondContact O-SG 3.49Å; L150-M173 HydrophobicContact CD2-CE 4Å; L150-F177 HydrophobicContact CD1-CE1 4.05Å; L150-F177 HydrophobicContact CD1-CZ 4.43Å |
| 151 | Q | 93.1 | Very high | 90.9 | Very high | 41 Ų | 41 | 31.7 Ų | 31.7 | 19% | 0.192 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.2 | -51 | 177.4 | -177.9 | -172.9 | -22.3 | 0 | 0 | 110.7 | F147 I153 C154 E155 H191 A194 C195 | F147-Q151 WeakPolarHBondContact O-CB 3.38Å; F147-Q151 PolarHBondContact O-N 3.34Å; Q151-I153 VanDerWaalsContact C-N 3.31Å; Q151-I153 PolarHBondContact O-N 2.91Å; Q151-C154 WeakPolarHBondContact O-CB 3.26Å; Q151-C154 PolarHBondContact O-N 3.27Å; Q151-E155 WeakPolarHBondContact CG-OE1 3.46Å; Q151-E155 PolarHBondContact NE2-OE1 3.27Å; Q151-E155 WeakPolarHBondContact O-CG 3.43Å; Q151-E155 PolarHBondContact O-N 3.02Å; Q151-H191 PolarHBondContact OE1-CE1 3.4Å; Q151-H191 PolarHBondContact OE1-ND1 2.99Å; Q151-A194 HydrophobicContact CG-CB 4.21Å; Q151-C195 WeakPolarHBondContact CA-SG 3.42Å |
| 152 | K | 89.4 | Confident | 90.3 | Very high | 74 Ų | 74 | 32.2 Ų | 32.2 | 32% | 0.322 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -64.8 | -35.3 | -179.7 | -169.9 | 77.7 | -155.5 | 117.1 | 0 | 112.5 | T113 G148 A149 L150 C154 E155 D156 | T113-K152 HydrophobicContact CG2-CB 3.5Å; T113-K152 HydrophobicContact CG2-CG 3.56Å; G148-K152 PolarHBondContact O-N 3.37Å; A149-K152 PolarHBondContact O-N 2.83Å; L150-K152 PolarHBondContact O-N 3.35Å; K152-C154 VanDerWaalsContact C-N 3.34Å; K152-E155 WeakPolarHBondContact CD-OE2 2.86Å; K152-E155 IonicContact NZ-OE2 3.36Å; K152-E155 PolarHBondContact NZ-OE2 3.07Å; K152-E155 PolarHBondContact O-N 3.18Å; K152-D156 VanDerWaalsContact CE-OD1 3.29Å; K152-D156 WeakPolarHBondContact CE-OD1 3.49Å; K152-D156 WeakPolarHBondContact CE-OD2 3.49Å; K152-D156 IonicContact NZ-OD1 3.13Å; K152-D156 PolarHBondContact NZ-OD1 2.66Å; K152-D156 IonicContact NZ-OD2 3.22Å; K152-D156 WeakPolarHBondContact O-CB 3.48Å; K152-D156 PolarHBondContact O-N 2.97Å |
| 153 | I | 92.1 | Very high | 89.8 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.8 | -39.2 | 172.2 | -66.9 | 164.8 | 0 | 0 | 0 | 111.1 | I112 T113 L121 L127 L128 L131 A149 L150 Q151 S157 L161 | I112-I153 HydrophobicContact CG2-CD1 4.45Å; T113-I153 HydrophobicContact CG2-CG1 4.07Å; L121-I153 HydrophobicContact CD2-CG2 4.28Å; L127-I153 HydrophobicContact CD2-CD1 4Å; L127-I153 HydrophobicContact CG-CD1 4.5Å; L128-I153 HydrophobicContact CD2-CD1 4.43Å; L128-I153 HydrophobicContact CD2-CG2 4.07Å; L131-I153 HydrophobicContact CD1-CD1 3.75Å; A149-I153 VanDerWaalsContact O-CG1 3.27Å; A149-I153 WeakPolarHBondContact O-CG1 3.08Å; A149-I153 PolarHBondContact O-N 3.02Å; L150-I153 PolarHBondContact O-N 3.29Å; Q151-I153 VanDerWaalsContact C-N 3.31Å; Q151-I153 PolarHBondContact O-N 2.91Å; I153-S157 WeakPolarHBondContact O-CB 3.22Å; I153-S157 PolarHBondContact O-N 3.38Å; I153-L161 HydrophobicContact CG2-CD1 4.41Å |
| 154 | C | 92.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.3 | -39.7 | 176.3 | -62.7 | 0 | 0 | 0 | 0 | 111.3 | L150 Q151 K152 S158 Q198 F199 | L150-C154 PolarHBondContact O-N 2.68Å; L150-C154 PolarHBondContact O-SG 3.49Å; Q151-C154 WeakPolarHBondContact O-CB 3.26Å; Q151-C154 PolarHBondContact O-N 3.27Å; K152-C154 VanDerWaalsContact C-N 3.34Å; C154-S158 WeakPolarHBondContact O-CB 3.04Å; C154-S158 PolarHBondContact O-N 2.74Å; C154-Q198 HydrophobicContact CB-CB 4.2Å; C154-Q198 HydrophobicContact CB-CG 3.83Å; C154-F199 HydrophobicContact CB-CE2 3.95Å; C154-F199 HydrophobicContact CB-CZ 3.71Å |
| 155 | E | 89.1 | Confident | 88.4 | Confident | 70 Ų | 70 | 40.4 Ų | 40.4 | 33% | 0.327 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.2 | -44 | 175.8 | -69.9 | 168.7 | -169.5 | 0 | 0 | 112.5 | Q151 K152 Q198 | Q151-E155 WeakPolarHBondContact CG-OE1 3.46Å; Q151-E155 PolarHBondContact NE2-OE1 3.27Å; Q151-E155 WeakPolarHBondContact O-CG 3.43Å; Q151-E155 PolarHBondContact O-N 3.02Å; K152-E155 WeakPolarHBondContact CD-OE2 2.86Å; K152-E155 IonicContact NZ-OE2 3.36Å; K152-E155 PolarHBondContact NZ-OE2 3.07Å; K152-E155 PolarHBondContact O-N 3.18Å; E155-Q198 HydrophobicContact CG-CG 4.24Å |
| 156 | D | 85.8 | Confident | 87.9 | Confident | 82 Ų | 82 | 41.8 Ų | 41.8 | 44% | 0.439 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -89.1 | -9.8 | -171.9 | -65.3 | -12.3 | 0 | 0 | 0 | 113.3 | K152 | K152-D156 VanDerWaalsContact CE-OD1 3.29Å; K152-D156 WeakPolarHBondContact CE-OD1 3.49Å; K152-D156 WeakPolarHBondContact CE-OD2 3.49Å; K152-D156 IonicContact NZ-OD1 3.13Å; K152-D156 PolarHBondContact NZ-OD1 2.66Å; K152-D156 IonicContact NZ-OD2 3.22Å; K152-D156 WeakPolarHBondContact O-CB 3.48Å; K152-D156 PolarHBondContact O-N 2.97Å |
| 157 | S | 87.4 | Confident | 87.4 | Confident | 18 Ų | 18 | 48.6 Ų | 48.6 | 13% | 0.126 | 27% | 0.269 | C | S | . | . | trans | -147.9 | 30.8 | -170.2 | -59.3 | 0 | 0 | 0 | 0 | 113.9 | I153 E159 L160 L161 | I153-S157 WeakPolarHBondContact O-CB 3.22Å; I153-S157 PolarHBondContact O-N 3.38Å; S157-E159 PolarHBondContact O-N 2.88Å; S157-L160 PolarHBondContact O-N 3.39Å; S157-L161 WeakPolarHBondContact O-CG 3.11Å; S157-L161 PolarHBondContact O-N 3.31Å | ||
| 158 | S | 85.9 | Confident | 87 | Confident | 26 Ų | 26 | 53.4 Ų | 53.4 | 18% | 0.182 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -52.5 | -49.6 | -177.4 | 60.8 | 0 | 0 | 0 | 0 | 113 | C154 L160 L161 D202 | C154-S158 WeakPolarHBondContact O-CB 3.04Å; C154-S158 PolarHBondContact O-N 2.74Å; S158-L160 PolarHBondContact O-N 3.34Å; S158-L161 PolarHBondContact O-N 3.22Å; S158-L161 VanDerWaalsContact O-N 3.16Å; S158-D202 PolarHBondContact OG-OD2 2.97Å |
| 159 | E | 83.4 | Confident | 87 | Confident | 163 Ų | 163 | 53 Ų | 53 | 76% | 0.762 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -59.4 | -41.9 | -179.2 | -63.1 | -177.9 | 177.7 | 0 | 0 | 113 | S157 L161 D162 | S157-E159 PolarHBondContact O-N 2.88Å; E159-L161 VanDerWaalsContact C-N 3.29Å; E159-L161 PolarHBondContact O-N 3.39Å; E159-D162 PolarHBondContact O-N 2.93Å |
| 160 | L | 85.1 | Confident | 87 | Confident | 72 Ų | 72 | 53 Ų | 53 | 38% | 0.377 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.8 | -31.9 | -179.2 | -72.9 | 172.1 | 0 | 0 | 0 | 111.7 | S157 S158 D162 S163 L166 | S157-L160 PolarHBondContact O-N 3.39Å; S158-L160 PolarHBondContact O-N 3.34Å; L160-D162 VanDerWaalsContact C-N 3.34Å; L160-D162 PolarHBondContact O-N 3.27Å; L160-S163 WeakPolarHBondContact O-CB 3.03Å; L160-S163 PolarHBondContact O-N 3.31Å; L160-S163 PolarHBondContact O-OG 3.42Å; L160-L166 HydrophobicContact CB-CD1 4.44Å |
| 161 | L | 86.1 | Confident | 87 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -71.7 | -26.8 | -176.8 | -67.2 | 170.4 | 0 | 0 | 0 | 112.8 | L121 L128 I153 S157 S158 E159 S163 P169 L170 M173 F199 | L121-L161 HydrophobicContact CD2-CD2 3.87Å; L128-L161 HydrophobicContact CD1-CD2 3.53Å; L128-L161 HydrophobicContact CD2-CD2 4.28Å; I153-L161 HydrophobicContact CG2-CD1 4.41Å; S157-L161 WeakPolarHBondContact O-CG 3.11Å; S157-L161 PolarHBondContact O-N 3.31Å; S158-L161 PolarHBondContact O-N 3.22Å; S158-L161 VanDerWaalsContact O-N 3.16Å; E159-L161 VanDerWaalsContact C-N 3.29Å; E159-L161 PolarHBondContact O-N 3.39Å; L161-S163 VanDerWaalsContact C-N 3.35Å; L161-P169 HydrophobicContact CB-CG 4.46Å; L161-P169 HydrophobicContact CD2-CG 3.95Å; L161-P169 WeakPolarHBondContact O-CD 2.96Å; L161-P169 VanDerWaalsContact O-CG 3.31Å; L161-P169 WeakPolarHBondContact O-CG 3.49Å; L161-L170 HydrophobicContact CB-CD1 4.07Å; L161-L170 HydrophobicContact CB-CD2 3.82Å; L161-L170 HydrophobicContact CB-CG 3.82Å; L161-L170 HydrophobicContact CD1-CD2 4.42Å; L161-L170 WeakPolarHBondContact O-CG 3.48Å; L161-M173 HydrophobicContact CD2-SD 4.48Å; L161-F199 HydrophobicContact CB-CE1 4.25Å; L161-F199 HydrophobicContact CD1-CE1 4.03Å; L161-F199 HydrophobicContact CD1-CZ 3.71Å |
| 162 | D | 82.3 | Confident | 87 | Confident | 51 Ų | 51 | 60.9 Ų | 60.9 | 27% | 0.273 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -88 | -5.9 | 172.8 | -152.2 | 29.4 | 0 | 0 | 0 | 113 | E159 L160 L170 | E159-D162 PolarHBondContact O-N 2.93Å; L160-D162 VanDerWaalsContact C-N 3.34Å; L160-D162 PolarHBondContact O-N 3.27Å; D162-L170 HydrophobicContact CB-CD1 3.76Å |
| 163 | S | 82.8 | Confident | 87.3 | Confident | 32 Ų | 32 | 57.5 Ų | 57.5 | 22% | 0.224 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -73.9 | 150 | -176.2 | 80.4 | 0 | 0 | 0 | 0 | 114 | L160 L161 A165 L166 R168 | L160-S163 WeakPolarHBondContact O-CB 3.03Å; L160-S163 PolarHBondContact O-N 3.31Å; L160-S163 PolarHBondContact O-OG 3.42Å; L161-S163 VanDerWaalsContact C-N 3.35Å; S163-A165 PolarHBondContact O-N 2.87Å; S163-A165 PolarHBondContact OG-N 2.87Å; S163-L166 PolarHBondContact O-N 3.39Å; S163-R168 PolarHBondContact O-N 2.84Å |
| 164 | D | 79.6 | Confident | 87.4 | Confident | 117 Ų | 117 | 57.4 Ų | 57.4 | 63% | 0.626 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -63.4 | -22.9 | 171.6 | -75 | -29.8 | 0 | 0 | 0 | 112.4 | L166 N167 R168 | D164-L166 PolarHBondContact O-N 3.12Å; D164-N167 PolarHBondContact O-N 3.42Å; D164-R168 IonicContact OD1-CZ 3.49Å; D164-R168 VanDerWaalsContact OD1-CZ 3.22Å; D164-R168 IonicContact OD1-NE 3.43Å; D164-R168 PolarHBondContact OD1-NE 3.15Å; D164-R168 IonicContact OD1-NH2 3.71Å; D164-R168 PolarHBondContact OD1-NH2 3Å; D164-R168 IonicContact OD2-NH2 3.15Å |
| 165 | A | 79.9 | Confident | 87.6 | Confident | 66 Ų | 66 | 59.2 Ų | 59.2 | 55% | 0.545 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -62.1 | -30.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S163 | S163-A165 PolarHBondContact O-N 2.87Å; S163-A165 PolarHBondContact OG-N 2.87Å |
| 166 | L | 81.1 | Confident | 87.9 | Confident | 36 Ų | 36 | 57.8 Ų | 57.8 | 19% | 0.188 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -101.3 | 11 | 176 | -68.3 | 176.6 | 0 | 0 | 0 | 113.1 | L121 Q122 L160 S163 D164 R168 P169 | L121-L166 HydrophobicContact CB-CD1 4.46Å; L121-L166 HydrophobicContact CD2-CD1 3.65Å; L121-L166 HydrophobicContact CG-CD1 3.96Å; Q122-L166 HydrophobicContact CB-CD2 4.22Å; Q122-L166 HydrophobicContact CG-CD2 3.67Å; Q122-L166 HydrophobicContact CG-CG 4.25Å; L160-L166 HydrophobicContact CB-CD1 4.44Å; S163-L166 PolarHBondContact O-N 3.39Å; D164-L166 PolarHBondContact O-N 3.12Å; L166-R168 VanDerWaalsContact C-N 3.3Å; L166-R168 PolarHBondContact O-N 2.85Å; L166-P169 HydrophobicContact CB-CG 4.01Å; L166-P169 WeakPolarHBondContact O-CD 3.19Å |
| 167 | N | 85.9 | Confident | 88.5 | Confident | 143 Ų | 143 | 53.9 Ų | 53.9 | 77% | 0.765 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 39.8 | -174 | -168.4 | 44.3 | 0 | 0 | 0 | 112.7 | D164 | D164-N167 PolarHBondContact O-N 3.42Š|
| 168 | R | 86.6 | Confident | 88.9 | Confident | 101 Ų | 101 | 53.3 Ų | 53.3 | 38% | 0.381 | 29% | 0.285 | S | S | . | . | trans | 47.8 | 63.1 | 175.6 | -57 | -173 | -171 | -150.9 | -6.4 | 114.1 | S163 D164 L166 L170 N171 | S163-R168 PolarHBondContact O-N 2.84Å; D164-R168 IonicContact OD1-CZ 3.49Å; D164-R168 VanDerWaalsContact OD1-CZ 3.22Å; D164-R168 IonicContact OD1-NE 3.43Å; D164-R168 PolarHBondContact OD1-NE 3.15Å; D164-R168 IonicContact OD1-NH2 3.71Å; D164-R168 PolarHBondContact OD1-NH2 3Å; D164-R168 IonicContact OD2-NH2 3.15Å; L166-R168 VanDerWaalsContact C-N 3.3Å; L166-R168 PolarHBondContact O-N 2.85Å; R168-L170 PolarHBondContact O-N 3.05Å; R168-L170 VanDerWaalsContact O-N 3.11Å; R168-N171 WeakPolarHBondContact CB-ND2 3.26Å; R168-N171 WeakPolarHBondContact O-CB 3.18Å; R168-N171 PolarHBondContact O-N 3.09Å; R168-N171 PolarHBondContact O-ND2 3.24Å | ||
| 169 | P | 91.6 | Very high | 89.3 | Confident | 18 Ų | 18 | 57.7 Ų | 57.7 | 12% | 0.117 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -25.1 | -177.6 | 25.3 | -36.9 | 0 | 0 | 0 | 113.7 | L128 L161 L166 N171 I172 M173 | L128-P169 HydrophobicContact CD1-CB 3.84Å; L128-P169 HydrophobicContact CD1-CG 3.87Å; L161-P169 HydrophobicContact CB-CG 4.46Å; L161-P169 HydrophobicContact CD2-CG 3.95Å; L161-P169 WeakPolarHBondContact O-CD 2.96Å; L161-P169 VanDerWaalsContact O-CG 3.31Å; L161-P169 WeakPolarHBondContact O-CG 3.49Å; L166-P169 HydrophobicContact CB-CG 4.01Å; L166-P169 WeakPolarHBondContact O-CD 3.19Å; P169-N171 PolarHBondContact O-N 3.16Å; P169-I172 PolarHBondContact O-N 3.01Å; P169-M173 HydrophobicContact CB-SD 3.88Å; P169-M173 WeakPolarHBondContact O-CG 3.4Å; P169-M173 PolarHBondContact O-N 3.02Å; P169-M173 VanDerWaalsContact O-N 3.1Å |
| 170 | L | 93.2 | Very high | 90 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.3 | -29.3 | 177.8 | -66.3 | -179.5 | 0 | 0 | 0 | 114.1 | L161 D162 R168 I172 M173 I174 F199 A204 A206 | L161-L170 HydrophobicContact CB-CD1 4.07Å; L161-L170 HydrophobicContact CB-CD2 3.82Å; L161-L170 HydrophobicContact CB-CG 3.82Å; L161-L170 HydrophobicContact CD1-CD2 4.42Å; L161-L170 WeakPolarHBondContact O-CG 3.48Å; D162-L170 HydrophobicContact CB-CD1 3.76Å; R168-L170 PolarHBondContact O-N 3.05Å; R168-L170 VanDerWaalsContact O-N 3.11Å; L170-I172 PolarHBondContact O-N 3.28Å; L170-M173 PolarHBondContact O-N 3.14Å; L170-I174 HydrophobicContact CB-CD1 4.12Å; L170-I174 HydrophobicContact CB-CG1 4.26Å; L170-I174 HydrophobicContact CD2-CD1 4.36Å; L170-I174 HydrophobicContact CD2-CG1 4.24Å; L170-I174 PolarHBondContact O-N 3.01Å; L170-F199 HydrophobicContact CD1-CD1 3.67Å; L170-F199 HydrophobicContact CD1-CE1 3.73Å; L170-F199 HydrophobicContact CD1-CG 4.29Å; L170-F199 HydrophobicContact CD1-CZ 4.4Å; L170-F199 HydrophobicContact CD2-CD1 4.17Å; L170-F199 HydrophobicContact CD2-CD2 4.29Å; L170-F199 HydrophobicContact CD2-CE1 3.64Å; L170-F199 HydrophobicContact CD2-CE2 3.78Å; L170-F199 HydrophobicContact CD2-CG 4.47Å; L170-F199 HydrophobicContact CD2-CZ 3.44Å; L170-F199 VanDerWaalsContact CD2-CZ 3.44Å; L170-F199 HydrophobicContact CG-CE1 4.31Å; L170-A204 HydrophobicContact CD1-CB 4.07Å; L170-A206 HydrophobicContact CB-CB 3.87Å |
| 171 | N | 93.3 | Very high | 90.5 | Very high | 80 Ų | 80 | 47.6 Ų | 47.6 | 43% | 0.428 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58 | -24.1 | 176.2 | -71.2 | -29.2 | 0 | 0 | 0 | 113 | R168 P169 A206 | R168-N171 WeakPolarHBondContact CB-ND2 3.26Å; R168-N171 WeakPolarHBondContact O-CB 3.18Å; R168-N171 PolarHBondContact O-N 3.09Å; R168-N171 PolarHBondContact O-ND2 3.24Å; P169-N171 PolarHBondContact O-N 3.16Å; N171-A206 WeakPolarHBondContact OD1-CB 3.42Å |
| 172 | I | 93.1 | Very high | 90.9 | Very high | 127 Ų | 127 | 54.4 Ų | 54.4 | 65% | 0.651 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -102.3 | -43.1 | 177.4 | -59.2 | 171.8 | 0 | 0 | 0 | 110.3 | P169 L170 K176 | P169-I172 PolarHBondContact O-N 3.01Å; L170-I172 PolarHBondContact O-N 3.28Å; I172-K176 WeakPolarHBondContact O-CB 3.48Å; I172-K176 PolarHBondContact O-N 3.32Å |
| 173 | M | 95.5 | Very high | 91.5 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.015 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.8 | -46.4 | -173.6 | -67.1 | 170.2 | 61.7 | 0 | 0 | 112.5 | L128 L150 L161 P169 L170 K176 F177 | L128-M173 HydrophobicContact CB-SD 4.48Å; L128-M173 HydrophobicContact CD1-SD 4.27Å; L128-M173 HydrophobicContact CD2-CE 4.41Å; L128-M173 HydrophobicContact CD2-SD 4.49Å; L150-M173 HydrophobicContact CD2-CE 4Å; L161-M173 HydrophobicContact CD2-SD 4.48Å; P169-M173 HydrophobicContact CB-SD 3.88Å; P169-M173 WeakPolarHBondContact O-CG 3.4Å; P169-M173 PolarHBondContact O-N 3.02Å; P169-M173 VanDerWaalsContact O-N 3.1Å; L170-M173 PolarHBondContact O-N 3.14Å; M173-K176 CarbonylContact O-C 3.31Å; M173-K176 WeakPolarHBondContact O-CA 3.16Å; M173-K176 WeakPolarHBondContact O-CB 3.33Å; M173-K176 PolarHBondContact O-N 3.11Å; M173-K176 VanDerWaalsContact O-N 3.11Å; M173-F177 HydrophobicContact CB-CE1 4.47Å; M173-F177 HydrophobicContact CB-CE2 3.88Å; M173-F177 HydrophobicContact CB-CZ 3.84Å; M173-F177 HydrophobicContact CE-CE2 4.1Å; M173-F177 HydrophobicContact CE-CZ 3.68Å; M173-F177 HydrophobicContact CG-CZ 4.43Å; M173-F177 WeakPolarHBondContact O-CD1 3.33Å; M173-F177 WeakPolarHBondContact O-CD2 3.49Å; M173-F177 WeakPolarHBondContact O-CG 3.2Å; M173-F177 PolarHBondContact O-N 3.07Å |
| 174 | I | 96 | Very high | 92 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.2 | -52.3 | -175 | -64.2 | -174.5 | 0 | 0 | 0 | 111.9 | L170 K176 F177 L178 F199 A206 L207 | L170-I174 HydrophobicContact CB-CD1 4.12Å; L170-I174 HydrophobicContact CB-CG1 4.26Å; L170-I174 HydrophobicContact CD2-CD1 4.36Å; L170-I174 HydrophobicContact CD2-CG1 4.24Å; L170-I174 PolarHBondContact O-N 3.01Å; I174-K176 PolarHBondContact O-N 3.34Å; I174-K176 VanDerWaalsContact O-N 3.14Å; I174-F177 PolarHBondContact O-N 2.97Å; I174-F177 VanDerWaalsContact O-N 3.13Å; I174-L178 HydrophobicContact CG2-CD1 4.39Å; I174-L178 WeakPolarHBondContact O-CG 3.45Å; I174-L178 PolarHBondContact O-N 3.38Å; I174-L178 VanDerWaalsContact O-N 3.09Å; I174-F199 HydrophobicContact CD1-CB 4.36Å; I174-F199 HydrophobicContact CD1-CD2 4.22Å; I174-F199 HydrophobicContact CD1-CG 4.38Å; I174-A206 HydrophobicContact CD1-CB 3.93Å; I174-L207 HydrophobicContact CD1-CB 3.81Å; I174-L207 HydrophobicContact CG2-CB 4.49Å; I174-L207 HydrophobicContact CG2-CD1 3.99Å |
| 175 | P | 96.2 | Very high | 92.7 | Very high | 39 Ų | 39 | 53.6 Ų | 53.6 | 25% | 0.253 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57 | -31.8 | 174.2 | -25.7 | 35 | 0 | 0 | 0 | 112.8 | ||
| 176 | K | 95.6 | Very high | 93.4 | Very high | 40 Ų | 40 | 52.5 Ų | 52.5 | 17% | 0.174 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.4 | -46.1 | 177.3 | -170.9 | 60.5 | 176.2 | 167.5 | 0 | 111.7 | N136 I172 M173 I174 L178 Q179 F180 | N136-K176 WeakPolarHBondContact OD1-CE 3.41Å; N136-K176 PolarHBondContact OD1-NZ 3.31Å; I172-K176 WeakPolarHBondContact O-CB 3.48Å; I172-K176 PolarHBondContact O-N 3.32Å; M173-K176 CarbonylContact O-C 3.31Å; M173-K176 WeakPolarHBondContact O-CA 3.16Å; M173-K176 WeakPolarHBondContact O-CB 3.33Å; M173-K176 PolarHBondContact O-N 3.11Å; M173-K176 VanDerWaalsContact O-N 3.11Å; I174-K176 PolarHBondContact O-N 3.34Å; I174-K176 VanDerWaalsContact O-N 3.14Å; K176-L178 VanDerWaalsContact C-N 3.33Å; K176-L178 PolarHBondContact O-N 3.25Å; K176-Q179 VanDerWaalsContact NZ-OE1 3.12Å; K176-Q179 WeakPolarHBondContact O-CB 3.24Å; K176-Q179 PolarHBondContact O-N 3.38Å; K176-F180 HydrophobicContact CD-CE2 4.26Å; K176-F180 HydrophobicContact CG-CE2 4.25Å; K176-F180 VanDerWaalsContact O-CD2 3.25Å; K176-F180 WeakPolarHBondContact O-CD2 3.42Å |
| 177 | F | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 177.4 | -59.6 | -25.6 | 0 | 0 | 0 | 111.8 | L135 F147 L150 M173 I174 Q179 F180 F181 C195 V196 | L135-F177 HydrophobicContact CD1-CD1 4.28Å; L135-F177 HydrophobicContact CD1-CE1 4.08Å; F147-F177 AromaticContact CE1-CD1 3.76Å; F147-F177 HydrophobicContact CE1-CD1 3.76Å; F147-F177 HydrophobicContact CE1-CE1 4.16Å; F147-F177 HydrophobicContact CE1-CG 4.48Å; F147-F177 HydrophobicContact CZ-CD1 4.16Å; L150-F177 HydrophobicContact CD1-CE1 4.05Å; L150-F177 HydrophobicContact CD1-CZ 4.43Å; M173-F177 HydrophobicContact CB-CE1 4.47Å; M173-F177 HydrophobicContact CB-CE2 3.88Å; M173-F177 HydrophobicContact CB-CZ 3.84Å; M173-F177 HydrophobicContact CE-CE2 4.1Å; M173-F177 HydrophobicContact CE-CZ 3.68Å; M173-F177 HydrophobicContact CG-CZ 4.43Å; M173-F177 WeakPolarHBondContact O-CD1 3.33Å; M173-F177 WeakPolarHBondContact O-CD2 3.49Å; M173-F177 WeakPolarHBondContact O-CG 3.2Å; M173-F177 PolarHBondContact O-N 3.07Å; I174-F177 PolarHBondContact O-N 2.97Å; I174-F177 VanDerWaalsContact O-N 3.13Å; F177-Q179 PolarHBondContact O-N 2.83Å; F177-Q179 VanDerWaalsContact O-N 3.09Å; F177-F180 PolarHBondContact O-N 3.15Å; F177-F181 WeakPolarHBondContact O-CD1 3.3Å; F177-C195 HydrophobicContact CD2-CB 3.73Å; F177-C195 HydrophobicContact CE2-CB 3.73Å; F177-C195 HydrophobicContact CG-CB 4.32Å; F177-C195 HydrophobicContact CZ-CB 4.32Å; F177-V196 HydrophobicContact CB-CG2 3.87Å; F177-V196 HydrophobicContact CD2-CG2 4.21Å |
| 178 | L | 96.3 | Very high | 94.5 | Very high | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.3 | -26.9 | 178.2 | -66.8 | 177.7 | 0 | 0 | 0 | 113.5 | I174 K176 F180 F181 V196 N210 T213 F214 H217 | I174-L178 HydrophobicContact CG2-CD1 4.39Å; I174-L178 WeakPolarHBondContact O-CG 3.45Å; I174-L178 PolarHBondContact O-N 3.38Å; I174-L178 VanDerWaalsContact O-N 3.09Å; K176-L178 VanDerWaalsContact C-N 3.33Å; K176-L178 PolarHBondContact O-N 3.25Å; L178-F180 VanDerWaalsContact C-N 3.29Å; L178-F180 PolarHBondContact O-N 3.25Å; L178-F181 HydrophobicContact CD2-CD1 4.48Å; L178-F181 HydrophobicContact CD2-CE1 3.99Å; L178-F181 HydrophobicContact CD2-CE2 4.24Å; L178-F181 HydrophobicContact CD2-CZ 3.85Å; L178-F181 PolarHBondContact O-N 3.05Å; L178-V196 HydrophobicContact CD2-CG2 4.39Å; L178-N210 HydrophobicContact CD1-CB 3.92Å; L178-T213 HydrophobicContact CD1-CG2 4.36Å; L178-F214 HydrophobicContact CD2-CB 3.94Å; L178-F214 HydrophobicContact CD2-CD2 3.65Å; L178-F214 HydrophobicContact CD2-CG 4.2Å; L178-H217 PolarHBondContact O-CE1 3.48Å; L178-H217 PolarHBondContact O-ND1 3.44Å |
| 179 | Q | 95.4 | Very high | 95 | Very high | 119 Ų | 119 | 45 Ų | 45 | 56% | 0.556 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -67 | -31.2 | 174.9 | -64.5 | 170.7 | 7.6 | 0 | 0 | 112.4 | K176 F177 F181 | K176-Q179 VanDerWaalsContact NZ-OE1 3.12Å; K176-Q179 WeakPolarHBondContact O-CB 3.24Å; K176-Q179 PolarHBondContact O-N 3.38Å; F177-Q179 PolarHBondContact O-N 2.83Å; F177-Q179 VanDerWaalsContact O-N 3.09Å; Q179-F181 VanDerWaalsContact C-N 3.3Å; Q179-F181 PolarHBondContact O-N 3.06Å |
| 180 | F | 96.6 | Very high | 95.2 | Very high | 22 Ų | 22 | 44.5 Ų | 44.5 | 10% | 0.096 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -83.2 | -4 | -177 | -69.8 | -85.6 | 0 | 0 | 0 | 113.8 | L135 F147 K176 F177 L178 K182 H183 I188 A192 | L135-F180 HydrophobicContact CB-CE2 4.01Å; L135-F180 HydrophobicContact CB-CZ 3.74Å; L135-F180 HydrophobicContact CD1-CE2 4.16Å; L135-F180 WeakPolarHBondContact O-CZ 3.36Å; F147-F180 HydrophobicContact CE2-CB 3.98Å; F147-F180 AromaticContact CE2-CD1 3.82Å; F147-F180 HydrophobicContact CE2-CD1 3.82Å; F147-F180 AromaticContact CE2-CD2 3.87Å; F147-F180 HydrophobicContact CE2-CD2 3.87Å; F147-F180 HydrophobicContact CE2-CE1 4.27Å; F147-F180 HydrophobicContact CE2-CE2 4.31Å; F147-F180 AromaticContact CE2-CG 3.61Å; F147-F180 HydrophobicContact CE2-CG 3.61Å; F147-F180 HydrophobicContact CZ-CB 3.81Å; F147-F180 HydrophobicContact CZ-CD1 4.39Å; F147-F180 AromaticContact CZ-CD2 3.68Å; F147-F180 HydrophobicContact CZ-CD2 3.68Å; F147-F180 HydrophobicContact CZ-CE2 4.36Å; F147-F180 AromaticContact CZ-CG 3.7Å; F147-F180 HydrophobicContact CZ-CG 3.7Å; K176-F180 HydrophobicContact CD-CE2 4.26Å; K176-F180 HydrophobicContact CG-CE2 4.25Å; K176-F180 VanDerWaalsContact O-CD2 3.25Å; K176-F180 WeakPolarHBondContact O-CD2 3.42Å; F177-F180 PolarHBondContact O-N 3.15Å; L178-F180 VanDerWaalsContact C-N 3.29Å; L178-F180 PolarHBondContact O-N 3.25Å; F180-K182 PolarHBondContact O-N 3.23Å; F180-H183 HydrophobicContact CD1-CB 4.49Å; F180-H183 WeakPolarHBondContact O-CB 3.4Å; F180-H183 PolarHBondContact O-N 3.01Å; F180-I188 HydrophobicContact CB-CG2 4.05Å; F180-I188 HydrophobicContact CD1-CG2 3.83Å; F180-I188 HydrophobicContact CG-CG2 4.3Å; F180-A192 HydrophobicContact CB-CB 3.89Å |
| 181 | F | 96.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -62.8 | -26.6 | 172.8 | -78.7 | 45.6 | 0 | 0 | 0 | 111 | F177 L178 Q179 R189 A192 I193 V196 F214 H217 L218 L221 | F177-F181 WeakPolarHBondContact O-CD1 3.3Å; L178-F181 HydrophobicContact CD2-CD1 4.48Å; L178-F181 HydrophobicContact CD2-CE1 3.99Å; L178-F181 HydrophobicContact CD2-CE2 4.24Å; L178-F181 HydrophobicContact CD2-CZ 3.85Å; L178-F181 PolarHBondContact O-N 3.05Å; Q179-F181 VanDerWaalsContact C-N 3.3Å; Q179-F181 PolarHBondContact O-N 3.06Å; F181-R189 WeakPolarHBondContact O-CD 3.47Å; F181-R189 WeakPolarHBondContact O-CG 3.5Å; F181-A192 HydrophobicContact CD1-CB 3.78Å; F181-A192 HydrophobicContact CE1-CB 3.81Å; F181-I193 HydrophobicContact CD1-CG1 4.46Å; F181-I193 HydrophobicContact CD2-CG1 4.02Å; F181-I193 HydrophobicContact CE1-CG1 4.12Å; F181-I193 HydrophobicContact CE2-CB 4.46Å; F181-I193 HydrophobicContact CE2-CG1 3.65Å; F181-I193 HydrophobicContact CG-CG1 4.43Å; F181-I193 HydrophobicContact CZ-CB 4.17Å; F181-I193 HydrophobicContact CZ-CG1 3.7Å; F181-V196 HydrophobicContact CE1-CG2 4.15Å; F181-V196 HydrophobicContact CZ-CB 4.38Å; F181-V196 HydrophobicContact CZ-CG2 4.14Å; F181-F214 AromaticContact CE2-CD2 3.75Å; F181-F214 HydrophobicContact CE2-CD2 3.75Å; F181-F214 AromaticContact CE2-CE2 3.67Å; F181-F214 HydrophobicContact CE2-CE2 3.67Å; F181-F214 AromaticContact CZ-CD2 3.89Å; F181-F214 HydrophobicContact CZ-CD2 3.89Å; F181-F214 AromaticContact CZ-CE2 3.69Å; F181-F214 HydrophobicContact CZ-CE2 3.69Å; F181-H217 HydrophobicContact CB-CB 4.11Å; F181-H217 HydrophobicContact CD2-CB 3.6Å; F181-H217 HydrophobicContact CE2-CB 4.36Å; F181-H217 HydrophobicContact CG-CB 4.16Å; F181-L218 HydrophobicContact CE2-CD2 4.14Å; F181-L221 HydrophobicContact CB-CD1 3.94Å; F181-L221 HydrophobicContact CD2-CD1 3.73Å; F181-L221 HydrophobicContact CG-CD1 4.11Å; F181-L221 WeakPolarHBondContact O-CD2 3.29Å |
| 182 | K | 94.1 | Very high | 95.5 | Very high | 142 Ų | 142 | 41.7 Ų | 41.7 | 62% | 0.617 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -94.8 | 11.7 | 177.2 | -63.2 | 176.4 | -179.1 | 164.4 | 0 | 113.2 | F180 H217 | F180-K182 PolarHBondContact O-N 3.23Å; K182-H217 VanDerWaalsContact CE-CD2 3.44Å; K182-H217 WeakPolarHBondContact CE-CD2 3.42Å; K182-H217 WeakPolarHBondContact CE-NE2 3.22Å; K182-H217 PolarHBondContact NZ-NE2 3.29Å |
| 183 | H | 94.8 | Very high | 95.7 | Very high | 52 Ų | 52 | 35.6 Ų | 35.6 | 24% | 0.241 | 18% | 0.182 | C | C | . | . | trans | -68.5 | 148.8 | -176.8 | -167.9 | -92.2 | 0 | 0 | 0 | 111.8 | F180 S185 I188 R189 | F180-H183 HydrophobicContact CD1-CB 4.49Å; F180-H183 WeakPolarHBondContact O-CB 3.4Å; F180-H183 PolarHBondContact O-N 3.01Å; H183-S185 PolarHBondContact ND1-N 3.4Å; H183-S185 PolarHBondContact O-N 2.97Å; H183-I188 HydrophobicContact CB-CB 4.41Å; H183-I188 HydrophobicContact CB-CG2 3.86Å; H183-I188 WeakPolarHBondContact CE1-CD1 3.43Å; H183-R189 HydrophobicContact CB-CG 4.32Å; H183-R189 WeakPolarHBondContact O-CD 3.48Å; H183-R189 WeakPolarHBondContact O-CG 3.31Å; H183-R189 PolarHBondContact O-NH1 2.9Å | ||
| 184 | C | 93.4 | Very high | 95.8 | Very high | 115 Ų | 115 | 35.7 Ų | 35.7 | 78% | 0.777 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -67.9 | -32.7 | -176.8 | 59.5 | 0 | 0 | 0 | 0 | 113.3 | R189 | C184-R189 PolarHBondContact O-NH1 2.83Š|
| 185 | S | 94.8 | Very high | 95.8 | Very high | 17 Ų | 17 | 35.7 Ų | 35.7 | 12% | 0.119 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -82.4 | 125.6 | 176.8 | 175.3 | 0 | 0 | 0 | 0 | 112 | Y140 H183 K187 I188 R189 | Y140-S185 WeakPolarHBondContact CE2-OG 3.46Å; Y140-S185 PolarHBondContact OH-OG 3.41Å; H183-S185 PolarHBondContact ND1-N 3.4Å; H183-S185 PolarHBondContact O-N 2.97Å; S185-K187 VanDerWaalsContact C-N 3.28Å; S185-K187 PolarHBondContact O-N 3.01Å; S185-K187 PolarHBondContact OG-N 3.44Å; S185-I188 PolarHBondContact O-N 3.11Å; S185-R189 PolarHBondContact O-N 3.18Å |
| 186 | P | 95.3 | Very high | 95.8 | Very high | 43 Ų | 43 | 33.8 Ų | 33.8 | 28% | 0.279 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -61.3 | -35.2 | 176.1 | 23.4 | -31.9 | 0 | 0 | 0 | 112.8 | I188 R189 S190 D226 V229 | P186-I188 VanDerWaalsContact C-N 3.31Å; P186-I188 PolarHBondContact O-N 3.33Å; P186-R189 WeakPolarHBondContact O-CB 3.44Å; P186-R189 PolarHBondContact O-N 3.25Å; P186-R189 VanDerWaalsContact O-N 3.14Å; P186-S190 PolarHBondContact O-N 3.16Å; P186-D226 HydrophobicContact CB-CB 3.52Å; P186-D226 VanDerWaalsContact CB-CG 3.47Å; P186-D226 WeakPolarHBondContact CB-OD2 3.31Å; P186-D226 HydrophobicContact CG-CB 4.39Å; P186-V229 HydrophobicContact CB-CG2 4.14Å; P186-V229 WeakPolarHBondContact O-CG2 3.02Å |
| 187 | K | 93.8 | Very high | 95.9 | Very high | 90 Ų | 90 | 32 Ų | 32 | 39% | 0.391 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.6 | -40.1 | 179.5 | -165.7 | 173.1 | -171.3 | -172 | 0 | 112.4 | E144 S185 S190 H191 | E144-K187 HydrophobicContact CG-CD 4.04Å; E144-K187 WeakPolarHBondContact OE1-CE 3.37Å; E144-K187 IonicContact OE1-NZ 2.81Å; E144-K187 PolarHBondContact OE1-NZ 3.05Å; S185-K187 VanDerWaalsContact C-N 3.28Å; S185-K187 PolarHBondContact O-N 3.01Å; S185-K187 PolarHBondContact OG-N 3.44Å; K187-S190 PolarHBondContact O-N 2.99Å; K187-H191 PolarHBondContact O-CD2 2.88Å; K187-H191 PolarHBondContact O-N 3.12Å |
| 188 | I | 95.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -71 | -38 | 176.5 | -70.8 | 170.4 | 0 | 0 | 0 | 110.8 | Y140 C143 F147 F180 H183 S185 P186 H191 A192 | Y140-I188 HydrophobicContact CD2-CD1 3.84Å; Y140-I188 HydrophobicContact CE2-CD1 3.61Å; Y140-I188 HydrophobicContact CE2-CG1 4.21Å; C143-I188 HydrophobicContact CB-CD1 4.43Å; F147-I188 HydrophobicContact CD2-CG2 3.97Å; F147-I188 HydrophobicContact CE2-CG2 3.75Å; F180-I188 HydrophobicContact CB-CG2 4.05Å; F180-I188 HydrophobicContact CD1-CG2 3.83Å; F180-I188 HydrophobicContact CG-CG2 4.3Å; H183-I188 HydrophobicContact CB-CB 4.41Å; H183-I188 HydrophobicContact CB-CG2 3.86Å; H183-I188 WeakPolarHBondContact CE1-CD1 3.43Å; S185-I188 PolarHBondContact O-N 3.11Å; P186-I188 VanDerWaalsContact C-N 3.31Å; P186-I188 PolarHBondContact O-N 3.33Å; I188-H191 PolarHBondContact O-N 3.28Å; I188-A192 WeakPolarHBondContact O-CB 3.44Å; I188-A192 PolarHBondContact O-N 3.23Å |
| 189 | R | 96.8 | Very high | 95.8 | Very high | 32 Ų | 32 | 33.8 Ų | 33.8 | 12% | 0.121 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.9 | -47.5 | 173.2 | -63.8 | -164.7 | -64.2 | -82.6 | 4.7 | 110.9 | F181 H183 C184 S185 P186 A192 I193 D224 V229 | F181-R189 WeakPolarHBondContact O-CD 3.47Å; F181-R189 WeakPolarHBondContact O-CG 3.5Å; H183-R189 HydrophobicContact CB-CG 4.32Å; H183-R189 WeakPolarHBondContact O-CD 3.48Å; H183-R189 WeakPolarHBondContact O-CG 3.31Å; H183-R189 PolarHBondContact O-NH1 2.9Å; C184-R189 PolarHBondContact O-NH1 2.83Å; S185-R189 PolarHBondContact O-N 3.18Å; P186-R189 WeakPolarHBondContact O-CB 3.44Å; P186-R189 PolarHBondContact O-N 3.25Å; P186-R189 VanDerWaalsContact O-N 3.14Å; R189-A192 PolarHBondContact O-N 3.26Å; R189-I193 WeakPolarHBondContact O-CD1 3.36Å; R189-I193 VanDerWaalsContact O-CG1 3.26Å; R189-I193 WeakPolarHBondContact O-CG1 3.48Å; R189-I193 PolarHBondContact O-N 2.89Å; R189-D224 IonicContact CZ-OD2 3.74Å; R189-D224 IonicContact NE-OD2 2.89Å; R189-D224 PolarHBondContact NE-OD2 3.16Å; R189-D224 VanDerWaalsContact NH2-CG 3.26Å; R189-D224 IonicContact NH2-OD1 2.7Å; R189-D224 PolarHBondContact NH2-OD1 3.41Å; R189-D224 IonicContact NH2-OD2 2.77Å; R189-D224 PolarHBondContact NH2-OD2 3.37Å; R189-V229 HydrophobicContact CB-CG2 3.98Å |
| 190 | S | 96.3 | Very high | 95.7 | Very high | 7 Ų | 7 | 28.1 Ų | 28.1 | 5% | 0.049 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56 | -53.7 | 175.7 | 160 | 0 | 0 | 0 | 0 | 111.9 | P186 K187 A192 I193 A194 E228 N232 | P186-S190 PolarHBondContact O-N 3.16Å; K187-S190 PolarHBondContact O-N 2.99Å; S190-A192 VanDerWaalsContact C-N 3.28Å; S190-A192 PolarHBondContact O-N 3.14Å; S190-I193 PolarHBondContact O-N 2.9Å; S190-I193 VanDerWaalsContact O-N 3.17Å; S190-A194 WeakPolarHBondContact O-CB 3.48Å; S190-A194 PolarHBondContact O-N 3.04Å; S190-E228 WeakPolarHBondContact OG-CG 2.97Å; S190-N232 PolarHBondContact OG-ND2 3.12Å |
| 191 | H | 95.6 | Very high | 95.5 | Very high | 20 Ų | 20 | 30.5 Ų | 30.5 | 9% | 0.093 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.4 | -42.3 | 177.2 | -73.6 | -50.5 | 0 | 0 | 0 | 112.6 | E144 F147 Q151 K187 I188 I193 A194 C195 | E144-H191 IonicContact OE1-NE2 2.75Å; F147-H191 HydrophobicContact CB-CB 3.74Å; F147-H191 HydrophobicContact CD1-CB 3.72Å; F147-H191 HydrophobicContact CG-CB 3.8Å; Q151-H191 PolarHBondContact OE1-CE1 3.4Å; Q151-H191 PolarHBondContact OE1-ND1 2.99Å; K187-H191 PolarHBondContact O-CD2 2.88Å; K187-H191 PolarHBondContact O-N 3.12Å; I188-H191 PolarHBondContact O-N 3.28Å; H191-I193 PolarHBondContact O-N 3.1Å; H191-A194 PolarHBondContact O-N 2.97Å; H191-C195 WeakPolarHBondContact O-CB 3.22Å; H191-C195 PolarHBondContact O-N 3.38Å; H191-C195 PolarHBondContact O-SG 3.06Å |
| 192 | A | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.5 | -42.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F147 F180 F181 I188 R189 S190 V196 | F147-A192 HydrophobicContact CE1-CB 4.03Å; F147-A192 HydrophobicContact CZ-CB 3.97Å; F180-A192 HydrophobicContact CB-CB 3.89Å; F181-A192 HydrophobicContact CD1-CB 3.78Å; F181-A192 HydrophobicContact CE1-CB 3.81Å; I188-A192 WeakPolarHBondContact O-CB 3.44Å; I188-A192 PolarHBondContact O-N 3.23Å; R189-A192 PolarHBondContact O-N 3.26Å; S190-A192 VanDerWaalsContact C-N 3.28Å; S190-A192 PolarHBondContact O-N 3.14Å; A192-V196 WeakPolarHBondContact O-CG2 3.47Å; A192-V196 PolarHBondContact O-N 3.46Å |
| 193 | I | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69 | -46.9 | 177.1 | -55.8 | 159.6 | 0 | 0 | 0 | 110 | F181 R189 S190 H191 C195 V196 N197 L218 L221 V229 N232 V233 A236 | F181-I193 HydrophobicContact CD1-CG1 4.46Å; F181-I193 HydrophobicContact CD2-CG1 4.02Å; F181-I193 HydrophobicContact CE1-CG1 4.12Å; F181-I193 HydrophobicContact CE2-CB 4.46Å; F181-I193 HydrophobicContact CE2-CG1 3.65Å; F181-I193 HydrophobicContact CG-CG1 4.43Å; F181-I193 HydrophobicContact CZ-CB 4.17Å; F181-I193 HydrophobicContact CZ-CG1 3.7Å; R189-I193 WeakPolarHBondContact O-CD1 3.36Å; R189-I193 VanDerWaalsContact O-CG1 3.26Å; R189-I193 WeakPolarHBondContact O-CG1 3.48Å; R189-I193 PolarHBondContact O-N 2.89Å; S190-I193 PolarHBondContact O-N 2.9Å; S190-I193 VanDerWaalsContact O-N 3.17Å; H191-I193 PolarHBondContact O-N 3.1Å; I193-C195 VanDerWaalsContact C-N 3.29Å; I193-C195 PolarHBondContact O-N 3.24Å; I193-V196 PolarHBondContact O-N 3.32Å; I193-N197 VanDerWaalsContact O-CG 3.28Å; I193-N197 PolarHBondContact O-N 3.2Å; I193-N197 PolarHBondContact O-OD1 3.12Å; I193-L218 HydrophobicContact CG2-CD2 4.23Å; I193-L221 HydrophobicContact CD1-CD1 3.68Å; I193-L221 HydrophobicContact CG1-CD1 4.23Å; I193-V229 HydrophobicContact CD1-CG1 3.88Å; I193-N232 HydrophobicContact CB-CB 3.97Å; I193-N232 HydrophobicContact CD1-CB 4.47Å; I193-N232 HydrophobicContact CG2-CB 3.68Å; I193-V233 HydrophobicContact CD1-CG2 3.96Å; I193-A236 HydrophobicContact CG2-CB 4.49Å |
| 194 | A | 96.1 | Very high | 95 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 3% | 0.033 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.2 | -39.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q151 S190 H191 Q198 | Q151-A194 HydrophobicContact CG-CB 4.21Å; S190-A194 WeakPolarHBondContact O-CB 3.48Å; S190-A194 PolarHBondContact O-N 3.04Å; H191-A194 PolarHBondContact O-N 2.97Å; A194-Q198 WeakPolarHBondContact O-CG 3.23Å; A194-Q198 PolarHBondContact O-NE2 2.93Å |
| 195 | C | 96.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.2 | -46.8 | 172.4 | -72.6 | 0 | 0 | 0 | 0 | 111.9 | Q151 F177 H191 I193 N197 Q198 F199 | Q151-C195 WeakPolarHBondContact CA-SG 3.42Å; F177-C195 HydrophobicContact CD2-CB 3.73Å; F177-C195 HydrophobicContact CE2-CB 3.73Å; F177-C195 HydrophobicContact CG-CB 4.32Å; F177-C195 HydrophobicContact CZ-CB 4.32Å; H191-C195 WeakPolarHBondContact O-CB 3.22Å; H191-C195 PolarHBondContact O-N 3.38Å; H191-C195 PolarHBondContact O-SG 3.06Å; I193-C195 VanDerWaalsContact C-N 3.29Å; I193-C195 PolarHBondContact O-N 3.24Å; C195-N197 VanDerWaalsContact C-N 3.34Å; C195-Q198 PolarHBondContact O-N 3.04Å; C195-F199 WeakPolarHBondContact O-CD2 3.39Å; C195-F199 WeakPolarHBondContact O-CE2 3.4Å |
| 196 | V | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.8 | -36.1 | -178.3 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | F177 L178 F181 A192 I193 Q198 F199 L207 F214 | F177-V196 HydrophobicContact CB-CG2 3.87Å; F177-V196 HydrophobicContact CD2-CG2 4.21Å; L178-V196 HydrophobicContact CD2-CG2 4.39Å; F181-V196 HydrophobicContact CE1-CG2 4.15Å; F181-V196 HydrophobicContact CZ-CB 4.38Å; F181-V196 HydrophobicContact CZ-CG2 4.14Å; A192-V196 WeakPolarHBondContact O-CG2 3.47Å; A192-V196 PolarHBondContact O-N 3.46Å; I193-V196 PolarHBondContact O-N 3.32Å; V196-Q198 PolarHBondContact O-N 2.91Å; V196-F199 PolarHBondContact O-N 3.14Å; V196-L207 HydrophobicContact CG1-CD1 3.62Å; V196-L207 HydrophobicContact CG1-CD2 4.09Å; V196-F214 HydrophobicContact CB-CE2 4.2Å; V196-F214 HydrophobicContact CB-CZ 4.49Å; V196-F214 HydrophobicContact CG1-CD1 4.43Å; V196-F214 HydrophobicContact CG1-CD2 3.9Å; V196-F214 HydrophobicContact CG1-CE1 4.12Å; V196-F214 HydrophobicContact CG1-CE2 3.55Å; V196-F214 HydrophobicContact CG1-CG 4.32Å; V196-F214 HydrophobicContact CG1-CZ 3.66Å |
| 197 | N | 96.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.011 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.6 | -32 | -179.7 | -74 | 0.9 | 0 | 0 | 0 | 113.2 | I193 C195 F199 I200 N232 A236 M239 | I193-N197 VanDerWaalsContact O-CG 3.28Å; I193-N197 PolarHBondContact O-N 3.2Å; I193-N197 PolarHBondContact O-OD1 3.12Å; C195-N197 VanDerWaalsContact C-N 3.34Å; N197-F199 PolarHBondContact O-N 3.16Å; N197-I200 HydrophobicContact CB-CD1 4.32Å; N197-I200 PolarHBondContact O-N 3.19Å; N197-N232 PolarHBondContact ND2-O 3.4Å; N197-A236 WeakPolarHBondContact OD1-CB 3.32Å; N197-M239 HydrophobicContact CB-SD 4.13Å |
| 198 | Q | 95.4 | Very high | 94.9 | Very high | 41 Ų | 41 | 25.9 Ų | 25.9 | 19% | 0.192 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -19.3 | 178.2 | -55 | -50.3 | -52.9 | 0 | 0 | 113.6 | C154 E155 A194 C195 V196 | C154-Q198 HydrophobicContact CB-CB 4.2Å; C154-Q198 HydrophobicContact CB-CG 3.83Å; E155-Q198 HydrophobicContact CG-CG 4.24Å; A194-Q198 WeakPolarHBondContact O-CG 3.23Å; A194-Q198 PolarHBondContact O-NE2 2.93Å; C195-Q198 PolarHBondContact O-N 3.04Å; V196-Q198 PolarHBondContact O-N 2.91Å |
| 199 | F | 95.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | 4.7 | -172.1 | -53.3 | -68.4 | 0 | 0 | 0 | 113.8 | C154 L161 L170 I174 C195 V196 N197 A204 L207 | C154-F199 HydrophobicContact CB-CE2 3.95Å; C154-F199 HydrophobicContact CB-CZ 3.71Å; L161-F199 HydrophobicContact CB-CE1 4.25Å; L161-F199 HydrophobicContact CD1-CE1 4.03Å; L161-F199 HydrophobicContact CD1-CZ 3.71Å; L170-F199 HydrophobicContact CD1-CD1 3.67Å; L170-F199 HydrophobicContact CD1-CE1 3.73Å; L170-F199 HydrophobicContact CD1-CG 4.29Å; L170-F199 HydrophobicContact CD1-CZ 4.4Å; L170-F199 HydrophobicContact CD2-CD1 4.17Å; L170-F199 HydrophobicContact CD2-CD2 4.29Å; L170-F199 HydrophobicContact CD2-CE1 3.64Å; L170-F199 HydrophobicContact CD2-CE2 3.78Å; L170-F199 HydrophobicContact CD2-CG 4.47Å; L170-F199 HydrophobicContact CD2-CZ 3.44Å; L170-F199 VanDerWaalsContact CD2-CZ 3.44Å; L170-F199 HydrophobicContact CG-CE1 4.31Å; I174-F199 HydrophobicContact CD1-CB 4.36Å; I174-F199 HydrophobicContact CD1-CD2 4.22Å; I174-F199 HydrophobicContact CD1-CG 4.38Å; C195-F199 WeakPolarHBondContact O-CD2 3.39Å; C195-F199 WeakPolarHBondContact O-CE2 3.4Å; V196-F199 PolarHBondContact O-N 3.14Å; N197-F199 PolarHBondContact O-N 3.16Å; F199-A204 HydrophobicContact CB-CB 3.83Å; F199-A204 PolarHBondContact O-N 3.02Å; F199-L207 HydrophobicContact CB-CD2 4.3Å |
| 200 | I | 94.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -53.8 | -178.4 | -61.4 | 171.5 | 0 | 0 | 0 | 110.2 | N197 D202 R203 L207 F214 A236 M239 L240 V243 | N197-I200 HydrophobicContact CB-CD1 4.32Å; N197-I200 PolarHBondContact O-N 3.19Å; I200-D202 PolarHBondContact O-N 3.08Å; I200-R203 PolarHBondContact O-N 2.97Å; I200-R203 VanDerWaalsContact O-N 3.1Å; I200-L207 HydrophobicContact CB-CD2 4.43Å; I200-L207 HydrophobicContact CG1-CD2 3.76Å; I200-F214 HydrophobicContact CD1-CE1 3.81Å; I200-F214 HydrophobicContact CD1-CZ 3.93Å; I200-F214 HydrophobicContact CG1-CE1 4.15Å; I200-A236 HydrophobicContact CD1-CB 4.23Å; I200-M239 HydrophobicContact CB-CB 3.93Å; I200-M239 HydrophobicContact CB-SD 4.36Å; I200-M239 HydrophobicContact CD1-CB 3.98Å; I200-M239 HydrophobicContact CD1-SD 4.03Å; I200-M239 HydrophobicContact CG2-CB 3.54Å; I200-L240 HydrophobicContact CD1-CG 4.45Å; I200-L240 HydrophobicContact CG2-CD2 3.94Å; I200-L240 HydrophobicContact CG2-CG 4.23Å; I200-V243 HydrophobicContact CG2-CG2 3.49Å; I200-V243 VanDerWaalsContact CG2-CG2 3.49Å |
| 201 | M | 92.3 | Very high | 94.7 | Very high | 72 Ų | 72 | 31.6 Ų | 31.6 | 36% | 0.355 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -41.5 | -176.4 | -67.4 | -51.3 | -69.2 | 0 | 0 | 112.7 | R203 M239 E242 V243 | M201-R203 PolarHBondContact O-N 2.75Å; M201-R203 VanDerWaalsContact O-N 3.11Å; M201-M239 HydrophobicContact CG-CG 4.33Å; M201-M239 HydrophobicContact SD-CB 4.08Å; M201-M239 HydrophobicContact SD-CG 4.29Å; M201-E242 HydrophobicContact CE-CB 4.45Å; M201-E242 HydrophobicContact CE-CG 4.21Å; M201-E242 WeakPolarHBondContact CE-OE1 3.25Å; M201-E242 WeakPolarHBondContact CE-OE2 3.49Å; M201-E242 HydrophobicContact SD-CB 4.5Å; M201-V243 HydrophobicContact CE-CG1 4.23Å; M201-V243 HydrophobicContact SD-CG1 3.89Å |
| 202 | D | 89.4 | Confident | 94.6 | Very high | 88 Ų | 88 | 34.9 Ų | 34.9 | 47% | 0.471 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -8.7 | 177.4 | -63.4 | -17.9 | 0 | 0 | 0 | 113.3 | S158 I200 A204 | S158-D202 PolarHBondContact OG-OD2 2.97Å; I200-D202 PolarHBondContact O-N 3.08Å; D202-A204 PolarHBondContact O-N 2.86Å |
| 203 | R | 92.4 | Very high | 94.5 | Very high | 147 Ų | 147 | 37.7 Ų | 37.7 | 56% | 0.555 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 40.5 | -176.1 | -52.1 | -178.6 | -179.1 | -170.6 | -2.5 | 113.3 | I200 M201 Q205 M208 V243 | I200-R203 PolarHBondContact O-N 2.97Å; I200-R203 VanDerWaalsContact O-N 3.1Å; M201-R203 PolarHBondContact O-N 2.75Å; M201-R203 VanDerWaalsContact O-N 3.11Å; R203-Q205 PolarHBondContact O-N 2.82Å; R203-M208 HydrophobicContact CB-CE 3.85Å; R203-M208 HydrophobicContact CB-CG 4.44Å; R203-M208 HydrophobicContact CG-CE 4.13Å; R203-V243 HydrophobicContact CG-CB 4.29Å; R203-V243 HydrophobicContact CG-CG1 4.26Å |
| 204 | A | 92.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.008 | 19% | 0.187 | C | C | . | . | trans | -51.6 | 130.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L170 F199 D202 A206 L207 M208 | L170-A204 HydrophobicContact CD1-CB 4.07Å; F199-A204 HydrophobicContact CB-CB 3.83Å; F199-A204 PolarHBondContact O-N 3.02Å; D202-A204 PolarHBondContact O-N 2.86Å; A204-A206 VanDerWaalsContact C-N 3.26Å; A204-A206 PolarHBondContact O-N 3.48Å; A204-L207 WeakPolarHBondContact O-CB 3.19Å; A204-L207 PolarHBondContact O-N 3.13Å; A204-M208 PolarHBondContact O-N 3.4Å | ||
| 205 | Q | 91.6 | Very high | 94.4 | Very high | 97 Ų | 97 | 38 Ų | 38 | 45% | 0.453 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -59.2 | -39.8 | -169.2 | -174.3 | 63.1 | 44.5 | 0 | 0 | 111.9 | R203 L207 M208 D209 | R203-Q205 PolarHBondContact O-N 2.82Å; Q205-L207 VanDerWaalsContact C-N 3.27Å; Q205-L207 PolarHBondContact O-N 3.24Å; Q205-M208 PolarHBondContact O-N 2.79Å; Q205-M208 VanDerWaalsContact O-N 3.14Å; Q205-D209 PolarHBondContact NE2-OD1 3.31Å; Q205-D209 VanDerWaalsContact O-CG 3.28Å; Q205-D209 PolarHBondContact O-N 3.03Å |
| 206 | A | 93.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 2% | 0.017 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.2 | -34.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | L170 N171 I174 A204 N210 | L170-A206 HydrophobicContact CB-CB 3.87Å; N171-A206 WeakPolarHBondContact OD1-CB 3.42Å; I174-A206 HydrophobicContact CD1-CB 3.93Å; A204-A206 VanDerWaalsContact C-N 3.26Å; A204-A206 PolarHBondContact O-N 3.48Å; A206-N210 PolarHBondContact O-ND2 3.42Å |
| 207 | L | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -74.3 | -43.6 | 174.3 | -176.4 | 53.8 | 0 | 0 | 0 | 110.8 | I174 V196 F199 I200 A204 Q205 D209 N210 I211 F214 | I174-L207 HydrophobicContact CD1-CB 3.81Å; I174-L207 HydrophobicContact CG2-CB 4.49Å; I174-L207 HydrophobicContact CG2-CD1 3.99Å; V196-L207 HydrophobicContact CG1-CD1 3.62Å; V196-L207 HydrophobicContact CG1-CD2 4.09Å; F199-L207 HydrophobicContact CB-CD2 4.3Å; I200-L207 HydrophobicContact CB-CD2 4.43Å; I200-L207 HydrophobicContact CG1-CD2 3.76Å; A204-L207 WeakPolarHBondContact O-CB 3.19Å; A204-L207 PolarHBondContact O-N 3.13Å; Q205-L207 VanDerWaalsContact C-N 3.27Å; Q205-L207 PolarHBondContact O-N 3.24Å; L207-D209 PolarHBondContact O-N 3.11Å; L207-N210 CarbonylContact O-C 3.59Å; L207-N210 VanDerWaalsContact O-C 3.3Å; L207-N210 WeakPolarHBondContact O-CA 3.44Å; L207-N210 PolarHBondContact O-N 2.89Å; L207-I211 WeakPolarHBondContact O-CA 3.41Å; L207-I211 PolarHBondContact O-N 2.81Å; L207-F214 HydrophobicContact CD1-CB 4.28Å; L207-F214 HydrophobicContact CD1-CD1 4.03Å; L207-F214 HydrophobicContact CD1-CG 4.17Å |
| 208 | M | 94.4 | Very high | 94.2 | Very high | 29 Ų | 29 | 44.7 Ų | 44.7 | 14% | 0.143 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.3 | -34.6 | -179.2 | -67 | -58.9 | 151.8 | 0 | 0 | 112.4 | R203 A204 Q205 N210 I211 R244 | R203-M208 HydrophobicContact CB-CE 3.85Å; R203-M208 HydrophobicContact CB-CG 4.44Å; R203-M208 HydrophobicContact CG-CE 4.13Å; A204-M208 PolarHBondContact O-N 3.4Å; Q205-M208 PolarHBondContact O-N 2.79Å; Q205-M208 VanDerWaalsContact O-N 3.14Å; M208-N210 VanDerWaalsContact C-N 3.27Å; M208-N210 PolarHBondContact O-N 2.77Å; M208-I211 WeakPolarHBondContact O-CG2 3.39Å; M208-R244 HydrophobicContact CE-CG 4.02Å; M208-R244 HydrophobicContact SD-CG 3.92Å; M208-R244 PolarHBondContact SD-NH1 3.37Å |
| 209 | D | 94.4 | Very high | 94.1 | Very high | 108 Ų | 108 | 45.9 Ų | 45.9 | 58% | 0.578 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -69 | -24.1 | 173.8 | -68.3 | -16.1 | 0 | 0 | 0 | 113 | Q205 L207 | Q205-D209 PolarHBondContact NE2-OD1 3.31Å; Q205-D209 VanDerWaalsContact O-CG 3.28Å; Q205-D209 PolarHBondContact O-N 3.03Å; L207-D209 PolarHBondContact O-N 3.11Å |
| 210 | N | 95.6 | Very high | 93.9 | Very high | 45 Ų | 45 | 48.8 Ų | 48.8 | 24% | 0.241 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 13.4 | -178.5 | -67.4 | -84.2 | 0 | 0 | 0 | 113.2 | L178 A206 L207 M208 D212 T213 F214 | L178-N210 HydrophobicContact CD1-CB 3.92Å; A206-N210 PolarHBondContact O-ND2 3.42Å; L207-N210 CarbonylContact O-C 3.59Å; L207-N210 VanDerWaalsContact O-C 3.3Å; L207-N210 WeakPolarHBondContact O-CA 3.44Å; L207-N210 PolarHBondContact O-N 2.89Å; M208-N210 VanDerWaalsContact C-N 3.27Å; M208-N210 PolarHBondContact O-N 2.77Å; N210-D212 VanDerWaalsContact C-N 3.34Å; N210-D212 PolarHBondContact O-N 3.15Å; N210-T213 WeakPolarHBondContact O-CB 3.09Å; N210-T213 PolarHBondContact O-N 3.42Å; N210-T213 VanDerWaalsContact O-N 3.11Å; N210-F214 PolarHBondContact O-N 3.04Å |
| 211 | I | 95.1 | Very high | 93.9 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.5 | -40 | -167.9 | -167.7 | 68.2 | 0 | 0 | 0 | 113.3 | L207 M208 T213 F214 I215 L240 | L207-I211 WeakPolarHBondContact O-CA 3.41Å; L207-I211 PolarHBondContact O-N 2.81Å; M208-I211 WeakPolarHBondContact O-CG2 3.39Å; I211-T213 VanDerWaalsContact C-N 3.31Å; I211-T213 PolarHBondContact O-N 2.92Å; I211-F214 HydrophobicContact CD1-CD1 4.2Å; I211-F214 WeakPolarHBondContact O-CB 3.19Å; I211-F214 PolarHBondContact O-N 3.21Å; I211-I215 HydrophobicContact CG1-CD1 4.06Å; I211-I215 WeakPolarHBondContact O-CG1 3.32Å; I211-I215 PolarHBondContact O-N 2.93Å; I211-L240 HydrophobicContact CD1-CD2 3.65Å |
| 212 | D | 93.7 | Very high | 93.8 | Very high | 90 Ų | 90 | 47 Ų | 47 | 48% | 0.481 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67 | -36.1 | -178.6 | -67.1 | -35.6 | 0 | 0 | 0 | 110.9 | N210 E216 R247 | N210-D212 VanDerWaalsContact C-N 3.34Å; N210-D212 PolarHBondContact O-N 3.15Å; D212-E216 WeakPolarHBondContact O-CB 3.45Å; D212-E216 PolarHBondContact O-N 2.92Å; D212-E216 VanDerWaalsContact O-N 3.08Å; D212-R247 VanDerWaalsContact CG-NH1 3.26Å; D212-R247 IonicContact OD1-CZ 2.67Å; D212-R247 IonicContact OD1-NH1 3.27Å; D212-R247 PolarHBondContact OD1-NH1 3.25Å; D212-R247 IonicContact OD2-NH1 3.69Å; D212-R247 PolarHBondContact OD2-NH1 3.49Å |
| 213 | T | 95.4 | Very high | 93.8 | Very high | 58 Ų | 58 | 48.5 Ų | 48.5 | 36% | 0.356 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.4 | -38.7 | 175.4 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | L178 N210 I211 H217 | L178-T213 HydrophobicContact CD1-CG2 4.36Å; N210-T213 WeakPolarHBondContact O-CB 3.09Å; N210-T213 PolarHBondContact O-N 3.42Å; N210-T213 VanDerWaalsContact O-N 3.11Å; I211-T213 VanDerWaalsContact C-N 3.31Å; I211-T213 PolarHBondContact O-N 2.92Å; T213-H217 PolarHBondContact O-N 3.36Å; T213-H217 VanDerWaalsContact O-N 3.08Å |
| 214 | F | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.8 | -49.6 | 176.6 | 176 | -132.8 | 0 | 0 | 0 | 111.3 | L178 F181 V196 I200 L207 N210 I211 E216 H217 L218 A236 L240 | L178-F214 HydrophobicContact CD2-CB 3.94Å; L178-F214 HydrophobicContact CD2-CD2 3.65Å; L178-F214 HydrophobicContact CD2-CG 4.2Å; F181-F214 AromaticContact CE2-CD2 3.75Å; F181-F214 HydrophobicContact CE2-CD2 3.75Å; F181-F214 AromaticContact CE2-CE2 3.67Å; F181-F214 HydrophobicContact CE2-CE2 3.67Å; F181-F214 AromaticContact CZ-CD2 3.89Å; F181-F214 HydrophobicContact CZ-CD2 3.89Å; F181-F214 AromaticContact CZ-CE2 3.69Å; F181-F214 HydrophobicContact CZ-CE2 3.69Å; V196-F214 HydrophobicContact CB-CE2 4.2Å; V196-F214 HydrophobicContact CB-CZ 4.49Å; V196-F214 HydrophobicContact CG1-CD1 4.43Å; V196-F214 HydrophobicContact CG1-CD2 3.9Å; V196-F214 HydrophobicContact CG1-CE1 4.12Å; V196-F214 HydrophobicContact CG1-CE2 3.55Å; V196-F214 HydrophobicContact CG1-CG 4.32Å; V196-F214 HydrophobicContact CG1-CZ 3.66Å; I200-F214 HydrophobicContact CD1-CE1 3.81Å; I200-F214 HydrophobicContact CD1-CZ 3.93Å; I200-F214 HydrophobicContact CG1-CE1 4.15Å; L207-F214 HydrophobicContact CD1-CB 4.28Å; L207-F214 HydrophobicContact CD1-CD1 4.03Å; L207-F214 HydrophobicContact CD1-CG 4.17Å; N210-F214 PolarHBondContact O-N 3.04Å; I211-F214 HydrophobicContact CD1-CD1 4.2Å; I211-F214 WeakPolarHBondContact O-CB 3.19Å; I211-F214 PolarHBondContact O-N 3.21Å; F214-E216 PolarHBondContact O-N 3.37Å; F214-H217 PolarHBondContact O-N 3Å; F214-L218 HydrophobicContact CD1-CD1 4.27Å; F214-L218 HydrophobicContact CD2-CD1 4.3Å; F214-L218 HydrophobicContact CD2-CG 4.09Å; F214-L218 HydrophobicContact CE1-CD1 3.86Å; F214-L218 HydrophobicContact CE2-CD1 3.88Å; F214-L218 HydrophobicContact CE2-CD2 3.8Å; F214-L218 HydrophobicContact CE2-CG 3.78Å; F214-L218 HydrophobicContact CG-CD1 4.5Å; F214-L218 HydrophobicContact CZ-CD1 3.66Å; F214-L218 HydrophobicContact CZ-CD2 4.15Å; F214-L218 HydrophobicContact CZ-CG 4.1Å; F214-L218 WeakPolarHBondContact O-CG 3.21Å; F214-L218 PolarHBondContact O-N 3.07Å; F214-A236 HydrophobicContact CZ-CB 3.99Å; F214-L240 HydrophobicContact CD1-CD1 4.15Å; F214-L240 HydrophobicContact CD1-CD2 4.45Å; F214-L240 HydrophobicContact CE1-CD1 3.81Å; F214-L240 HydrophobicContact CE1-CD2 4.23Å; F214-L240 HydrophobicContact CE1-CG 4.2Å |
| 215 | I | 94.2 | Very high | 93.9 | Very high | 10 Ų | 10 | 49.7 Ų | 49.7 | 5% | 0.051 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61 | -44.2 | 178.5 | -67.5 | 169.5 | 0 | 0 | 0 | 111.3 | I211 H217 L218 F219 L240 R247 L248 | I211-I215 HydrophobicContact CG1-CD1 4.06Å; I211-I215 WeakPolarHBondContact O-CG1 3.32Å; I211-I215 PolarHBondContact O-N 2.93Å; I215-H217 VanDerWaalsContact C-N 3.3Å; I215-H217 PolarHBondContact O-N 3.36Å; I215-L218 PolarHBondContact O-N 3.44Å; I215-F219 HydrophobicContact CG2-CD2 3.96Å; I215-F219 HydrophobicContact CG2-CE1 4.31Å; I215-F219 HydrophobicContact CG2-CE2 3.34Å; I215-F219 HydrophobicContact CG2-CZ 3.54Å; I215-F219 WeakPolarHBondContact O-CG 3.29Å; I215-F219 PolarHBondContact O-N 2.92Å; I215-L240 HydrophobicContact CG1-CD1 4.02Å; I215-R247 HydrophobicContact CD1-CB 3.57Å; I215-R247 HydrophobicContact CD1-CG 4.43Å; I215-L248 HydrophobicContact CD1-CD2 4.19Å; I215-L248 HydrophobicContact CG1-CD2 4.48Å |
| 216 | E | 94.2 | Very high | 94.2 | Very high | 125 Ų | 125 | 47.2 Ų | 47.2 | 58% | 0.584 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -57.3 | -44.3 | 176.1 | -173.8 | -172.2 | 158.1 | 0 | 0 | 111.6 | D212 F214 F219 A220 | D212-E216 WeakPolarHBondContact O-CB 3.45Å; D212-E216 PolarHBondContact O-N 2.92Å; D212-E216 VanDerWaalsContact O-N 3.08Å; F214-E216 PolarHBondContact O-N 3.37Å; E216-F219 PolarHBondContact O-N 3.36Å; E216-A220 PolarHBondContact O-N 2.97Å; E216-A220 VanDerWaalsContact O-N 3.1Å |
| 217 | H | 95.7 | Very high | 94.2 | Very high | 19 Ų | 19 | 49.3 Ų | 49.3 | 9% | 0.088 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.5 | -35.9 | 178.4 | -70 | 165.3 | 0 | 0 | 0 | 113.3 | L178 F181 K182 T213 F214 I215 A220 L221 | L178-H217 PolarHBondContact O-CE1 3.48Å; L178-H217 PolarHBondContact O-ND1 3.44Å; F181-H217 HydrophobicContact CB-CB 4.11Å; F181-H217 HydrophobicContact CD2-CB 3.6Å; F181-H217 HydrophobicContact CE2-CB 4.36Å; F181-H217 HydrophobicContact CG-CB 4.16Å; K182-H217 VanDerWaalsContact CE-CD2 3.44Å; K182-H217 WeakPolarHBondContact CE-CD2 3.42Å; K182-H217 WeakPolarHBondContact CE-NE2 3.22Å; K182-H217 PolarHBondContact NZ-NE2 3.29Å; T213-H217 PolarHBondContact O-N 3.36Å; T213-H217 VanDerWaalsContact O-N 3.08Å; F214-H217 PolarHBondContact O-N 3Å; I215-H217 VanDerWaalsContact C-N 3.3Å; I215-H217 PolarHBondContact O-N 3.36Å; H217-A220 PolarHBondContact O-N 3.45Å; H217-L221 WeakPolarHBondContact O-CG 3.42Å; H217-L221 PolarHBondContact O-N 3.01Å; H217-L221 VanDerWaalsContact O-N 3.13Å |
| 218 | L | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 173.3 | -72.1 | 177.5 | 0 | 0 | 0 | 111.2 | F181 I193 F214 I215 A220 L221 A222 V233 A236 L237 L240 | F181-L218 HydrophobicContact CE2-CD2 4.14Å; I193-L218 HydrophobicContact CG2-CD2 4.23Å; F214-L218 HydrophobicContact CD1-CD1 4.27Å; F214-L218 HydrophobicContact CD2-CD1 4.3Å; F214-L218 HydrophobicContact CD2-CG 4.09Å; F214-L218 HydrophobicContact CE1-CD1 3.86Å; F214-L218 HydrophobicContact CE2-CD1 3.88Å; F214-L218 HydrophobicContact CE2-CD2 3.8Å; F214-L218 HydrophobicContact CE2-CG 3.78Å; F214-L218 HydrophobicContact CG-CD1 4.5Å; F214-L218 HydrophobicContact CZ-CD1 3.66Å; F214-L218 HydrophobicContact CZ-CD2 4.15Å; F214-L218 HydrophobicContact CZ-CG 4.1Å; F214-L218 WeakPolarHBondContact O-CG 3.21Å; F214-L218 PolarHBondContact O-N 3.07Å; I215-L218 PolarHBondContact O-N 3.44Å; L218-A220 VanDerWaalsContact C-N 3.31Å; L218-A220 PolarHBondContact O-N 3.29Å; L218-L221 CarbonylContact O-C 3.57Å; L218-L221 WeakPolarHBondContact O-CA 3.31Å; L218-L221 PolarHBondContact O-N 2.7Å; L218-A222 PolarHBondContact O-N 3.2Å; L218-V233 HydrophobicContact CD2-CG1 4.45Å; L218-V233 HydrophobicContact CD2-CG2 4.19Å; L218-A236 HydrophobicContact CD1-CB 3.77Å; L218-A236 HydrophobicContact CD2-CB 3.81Å; L218-A236 HydrophobicContact CG-CB 4.47Å; L218-L237 HydrophobicContact CD1-CD2 4.4Å; L218-L240 HydrophobicContact CD1-CD1 3.68Å |
| 219 | F | 93 | Very high | 94.4 | Very high | 66 Ų | 66 | 51.6 Ų | 51.6 | 29% | 0.289 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.8 | -35.5 | 177.3 | -64.5 | -26 | 0 | 0 | 0 | 112.8 | I215 E216 L221 A222 L237 H251 I255 | I215-F219 HydrophobicContact CG2-CD2 3.96Å; I215-F219 HydrophobicContact CG2-CE1 4.31Å; I215-F219 HydrophobicContact CG2-CE2 3.34Å; I215-F219 HydrophobicContact CG2-CZ 3.54Å; I215-F219 WeakPolarHBondContact O-CG 3.29Å; I215-F219 PolarHBondContact O-N 2.92Å; E216-F219 PolarHBondContact O-N 3.36Å; F219-L221 PolarHBondContact O-N 2.9Å; F219-A222 WeakPolarHBondContact O-CB 3.26Å; F219-A222 PolarHBondContact O-N 2.89Å; F219-L237 HydrophobicContact CE1-CD2 4.09Å; F219-H251 HydrophobicContact CE2-CB 3.97Å; F219-H251 AromaticContact CE2-CD2 3.79Å; F219-H251 AromaticContact CE2-CG 3.69Å; F219-H251 HydrophobicContact CZ-CB 3.78Å; F219-I255 HydrophobicContact CE1-CD1 4.07Å; F219-I255 HydrophobicContact CE1-CG1 3.86Å; F219-I255 HydrophobicContact CZ-CD1 4Å; F219-I255 HydrophobicContact CZ-CG1 4.15Å |
| 220 | A | 93.1 | Very high | 94.5 | Very high | 61 Ų | 61 | 47.7 Ų | 47.7 | 50% | 0.504 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.4 | -29.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E216 H217 L218 | E216-A220 PolarHBondContact O-N 2.97Å; E216-A220 VanDerWaalsContact O-N 3.1Å; H217-A220 PolarHBondContact O-N 3.45Å; L218-A220 VanDerWaalsContact C-N 3.31Å; L218-A220 PolarHBondContact O-N 3.29Å |
| 221 | L | 94.8 | Very high | 94.5 | Very high | 16 Ų | 16 | 47.6 Ų | 47.6 | 8% | 0.084 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -91.6 | -5.3 | 179 | -67.8 | 179 | 0 | 0 | 0 | 114.6 | F181 I193 H217 L218 F219 V223 D224 V229 V233 | F181-L221 HydrophobicContact CB-CD1 3.94Å; F181-L221 HydrophobicContact CD2-CD1 3.73Å; F181-L221 HydrophobicContact CG-CD1 4.11Å; F181-L221 WeakPolarHBondContact O-CD2 3.29Å; I193-L221 HydrophobicContact CD1-CD1 3.68Å; I193-L221 HydrophobicContact CG1-CD1 4.23Å; H217-L221 WeakPolarHBondContact O-CG 3.42Å; H217-L221 PolarHBondContact O-N 3.01Å; H217-L221 VanDerWaalsContact O-N 3.13Å; L218-L221 CarbonylContact O-C 3.57Å; L218-L221 WeakPolarHBondContact O-CA 3.31Å; L218-L221 PolarHBondContact O-N 2.7Å; F219-L221 PolarHBondContact O-N 2.9Å; L221-V223 PolarHBondContact O-N 3.12Å; L221-V223 VanDerWaalsContact O-N 3.11Å; L221-D224 VanDerWaalsContact O-CB 3.25Å; L221-D224 WeakPolarHBondContact O-CB 3.43Å; L221-D224 PolarHBondContact O-N 3.43Å; L221-V229 HydrophobicContact CB-CG1 4.4Å; L221-V229 HydrophobicContact CD1-CG1 4.46Å; L221-V233 HydrophobicContact CB-CG2 3.92Å |
| 222 | A | 89.4 | Confident | 94.6 | Very high | 18 Ų | 18 | 47.7 Ų | 47.7 | 15% | 0.149 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -25 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L218 F219 Y258 | L218-A222 PolarHBondContact O-N 3.2Å; F219-A222 WeakPolarHBondContact O-CB 3.26Å; F219-A222 PolarHBondContact O-N 2.89Å; A222-Y258 HydrophobicContact CB-CD2 3.97Å; A222-Y258 HydrophobicContact CB-CE2 3.74Å; A222-Y258 WeakPolarHBondContact O-CE2 3.37Å |
| 223 | V | 89.9 | Confident | 94.8 | Very high | 121 Ų | 121 | 43.4 Ų | 43.4 | 73% | 0.733 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 10.4 | 178.7 | -60.7 | 0 | 0 | 0 | 0 | 113.7 | L221 | L221-V223 PolarHBondContact O-N 3.12Å; L221-V223 VanDerWaalsContact O-N 3.11Å |
| 224 | D | 94.3 | Very high | 94.9 | Very high | 22 Ų | 22 | 40.6 Ų | 40.6 | 12% | 0.118 | 22% | 0.22 | C | C | . | . | trans | -67.9 | 137.2 | -179.6 | -153.3 | -54.2 | 0 | 0 | 0 | 112.1 | R189 L221 D226 V229 R230 | R189-D224 IonicContact CZ-OD2 3.74Å; R189-D224 IonicContact NE-OD2 2.89Å; R189-D224 PolarHBondContact NE-OD2 3.16Å; R189-D224 VanDerWaalsContact NH2-CG 3.26Å; R189-D224 IonicContact NH2-OD1 2.7Å; R189-D224 PolarHBondContact NH2-OD1 3.41Å; R189-D224 IonicContact NH2-OD2 2.77Å; R189-D224 PolarHBondContact NH2-OD2 3.37Å; L221-D224 VanDerWaalsContact O-CB 3.25Å; L221-D224 WeakPolarHBondContact O-CB 3.43Å; L221-D224 PolarHBondContact O-N 3.43Å; D224-D226 WeakPolarHBondContact OD1-CB 2.82Å; D224-D226 PolarHBondContact OD1-N 3.3Å; D224-V229 HydrophobicContact CB-CB 4.21Å; D224-V229 HydrophobicContact CB-CG1 3.78Å; D224-R230 VanDerWaalsContact O-CD 3.28Å; D224-R230 WeakPolarHBondContact O-CD 3.32Å; D224-R230 WeakPolarHBondContact O-CG 3.3Å; D224-R230 PolarHBondContact O-NH1 3.09Å | ||
| 225 | D | 92.5 | Very high | 94.9 | Very high | 151 Ų | 151 | 45 Ų | 45 | 81% | 0.807 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -82.4 | -15.6 | -179.1 | -68.3 | -41.8 | 0 | 0 | 0 | 112.6 | R230 | D225-R230 VanDerWaalsContact CA-NH1 3.34Å; D225-R230 PolarHBondContact O-NH1 2.96Å |
| 226 | D | 96.6 | Very high | 95.1 | Very high | 44 Ų | 44 | 44.5 Ų | 44.5 | 24% | 0.235 | 24% | 0.235 | C | C | . | . | trans | -80 | 125.5 | 178.8 | -171.1 | -88.1 | 0 | 0 | 0 | 111.9 | P186 D224 E228 V229 R230 | P186-D226 HydrophobicContact CB-CB 3.52Å; P186-D226 VanDerWaalsContact CB-CG 3.47Å; P186-D226 WeakPolarHBondContact CB-OD2 3.31Å; P186-D226 HydrophobicContact CG-CB 4.39Å; D224-D226 WeakPolarHBondContact OD1-CB 2.82Å; D224-D226 PolarHBondContact OD1-N 3.3Å; D226-E228 VanDerWaalsContact C-N 3.32Å; D226-E228 PolarHBondContact O-N 3.4Å; D226-E228 WeakPolarHBondContact OD1-CB 3.45Å; D226-E228 PolarHBondContact OD1-N 3.17Å; D226-V229 HydrophobicContact CB-CB 4.26Å; D226-V229 HydrophobicContact CB-CG2 3.97Å; D226-V229 PolarHBondContact O-N 2.95Å; D226-V229 PolarHBondContact OD1-N 3.23Å; D226-R230 PolarHBondContact O-N 3.46Å | ||
| 227 | P | 95.2 | Very high | 95.2 | Very high | 47 Ų | 47 | 38.7 Ų | 38.7 | 31% | 0.305 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.5 | -35.3 | -175.9 | 25.6 | -33.7 | 0 | 0 | 0 | 112.3 | V229 R230 K231 D267 V270 | P227-V229 VanDerWaalsContact C-N 3.33Å; P227-V229 PolarHBondContact O-N 2.95Å; P227-R230 PolarHBondContact O-N 3.29Å; P227-K231 VanDerWaalsContact O-CB 3.29Å; P227-K231 WeakPolarHBondContact O-CB 2.84Å; P227-K231 PolarHBondContact O-N 3.27Å; P227-D267 HydrophobicContact CB-CB 4.22Å; P227-V270 HydrophobicContact CB-CG2 3.99Å; P227-V270 VanDerWaalsContact O-CG2 3.29Å; P227-V270 WeakPolarHBondContact O-CG2 3.49Å |
| 228 | E | 95.4 | Very high | 95.3 | Very high | 76 Ų | 76 | 38.3 Ų | 38.3 | 36% | 0.355 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -70.5 | -34.2 | -178.8 | -170.8 | 63.4 | -157.5 | 0 | 0 | 111.1 | S190 D226 K231 N232 | S190-E228 WeakPolarHBondContact OG-CG 2.97Å; D226-E228 VanDerWaalsContact C-N 3.32Å; D226-E228 PolarHBondContact O-N 3.4Å; D226-E228 WeakPolarHBondContact OD1-CB 3.45Å; D226-E228 PolarHBondContact OD1-N 3.17Å; E228-K231 VanDerWaalsContact OE1-CE 3.24Å; E228-K231 WeakPolarHBondContact OE1-CE 3.48Å; E228-K231 IonicContact OE1-NZ 2.92Å; E228-K231 PolarHBondContact OE1-NZ 3.41Å; E228-K231 WeakPolarHBondContact OE2-CE 3.22Å; E228-K231 IonicContact OE2-NZ 3.9Å; E228-K231 PolarHBondContact OE2-NZ 2.91Å; E228-N232 PolarHBondContact O-N 2.91Å; E228-N232 PolarHBondContact O-ND2 3.39Å; E228-N232 PolarHBondContact OE1-ND2 3.03Å |
| 229 | V | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.1 | -50.1 | 170.6 | 179 | 0 | 0 | 0 | 0 | 110.4 | P186 R189 I193 L221 D224 D226 P227 K231 N232 V233 | P186-V229 HydrophobicContact CB-CG2 4.14Å; P186-V229 WeakPolarHBondContact O-CG2 3.02Å; R189-V229 HydrophobicContact CB-CG2 3.98Å; I193-V229 HydrophobicContact CD1-CG1 3.88Å; L221-V229 HydrophobicContact CB-CG1 4.4Å; L221-V229 HydrophobicContact CD1-CG1 4.46Å; D224-V229 HydrophobicContact CB-CB 4.21Å; D224-V229 HydrophobicContact CB-CG1 3.78Å; D226-V229 HydrophobicContact CB-CB 4.26Å; D226-V229 HydrophobicContact CB-CG2 3.97Å; D226-V229 PolarHBondContact O-N 2.95Å; D226-V229 PolarHBondContact OD1-N 3.23Å; P227-V229 VanDerWaalsContact C-N 3.33Å; P227-V229 PolarHBondContact O-N 2.95Å; V229-K231 VanDerWaalsContact C-N 3.32Å; V229-K231 PolarHBondContact O-N 2.94Å; V229-N232 PolarHBondContact O-N 3.2Å; V229-V233 HydrophobicContact CG1-CG2 4.33Å; V229-V233 WeakPolarHBondContact O-CG2 3.19Å; V229-V233 PolarHBondContact O-N 3.33Å |
| 230 | R | 96.4 | Very high | 95.5 | Very high | 27 Ų | 27 | 36.5 Ų | 36.5 | 10% | 0.102 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.2 | -43.8 | 179.2 | -70.6 | -158.9 | -63 | -75.3 | -1.5 | 112.2 | D224 D225 D226 P227 N232 V233 C234 R262 D265 V270 | D224-R230 VanDerWaalsContact O-CD 3.28Å; D224-R230 WeakPolarHBondContact O-CD 3.32Å; D224-R230 WeakPolarHBondContact O-CG 3.3Å; D224-R230 PolarHBondContact O-NH1 3.09Å; D225-R230 VanDerWaalsContact CA-NH1 3.34Å; D225-R230 PolarHBondContact O-NH1 2.96Å; D226-R230 PolarHBondContact O-N 3.46Å; P227-R230 PolarHBondContact O-N 3.29Å; R230-N232 PolarHBondContact O-N 3.29Å; R230-V233 PolarHBondContact O-N 3.24Å; R230-C234 PolarHBondContact O-N 3.17Å; R230-C234 PolarHBondContact O-SG 3.39Å; R230-R262 VanDerWaalsContact CD-NH1 3.33Å; R230-D265 IonicContact CZ-OD2 3.08Å; R230-D265 IonicContact NE-OD2 2.72Å; R230-D265 PolarHBondContact NE-OD2 2.84Å; R230-D265 IonicContact NH2-OD1 2.71Å; R230-D265 PolarHBondContact NH2-OD1 2.9Å; R230-D265 IonicContact NH2-OD2 3.13Å; R230-D265 PolarHBondContact NH2-OD2 3.33Å; R230-V270 HydrophobicContact CB-CG1 3.95Å; R230-V270 HydrophobicContact CB-CG2 4.3Å |
| 231 | K | 96.4 | Very high | 95.6 | Very high | 43 Ų | 43 | 33.6 Ų | 33.6 | 19% | 0.187 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -54.1 | -52.9 | 176.2 | -166.5 | -172 | 72.5 | -168.1 | 0 | 111.3 | P227 E228 V229 V233 C234 R235 N269 V270 E273 | P227-K231 VanDerWaalsContact O-CB 3.29Å; P227-K231 WeakPolarHBondContact O-CB 2.84Å; P227-K231 PolarHBondContact O-N 3.27Å; E228-K231 VanDerWaalsContact OE1-CE 3.24Å; E228-K231 WeakPolarHBondContact OE1-CE 3.48Å; E228-K231 IonicContact OE1-NZ 2.92Å; E228-K231 PolarHBondContact OE1-NZ 3.41Å; E228-K231 WeakPolarHBondContact OE2-CE 3.22Å; E228-K231 IonicContact OE2-NZ 3.9Å; E228-K231 PolarHBondContact OE2-NZ 2.91Å; V229-K231 VanDerWaalsContact C-N 3.32Å; V229-K231 PolarHBondContact O-N 2.94Å; K231-V233 VanDerWaalsContact C-N 3.33Å; K231-V233 PolarHBondContact O-N 2.98Å; K231-C234 WeakPolarHBondContact O-CB 3.35Å; K231-C234 PolarHBondContact O-N 2.98Å; K231-R235 PolarHBondContact O-N 3.43Å; K231-N269 HydrophobicContact CD-CB 4.02Å; K231-V270 HydrophobicContact CB-CG2 4.16Å; K231-E273 HydrophobicContact CD-CG 4.36Å; K231-E273 HydrophobicContact CG-CB 4.22Å; K231-E273 HydrophobicContact CG-CG 3.66Å |
| 232 | N | 97.1 | Very high | 95.5 | Very high | 7 Ų | 7 | 37.2 Ų | 37.2 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.6 | -32.1 | 179.9 | -76.3 | -63.6 | 0 | 0 | 0 | 113.1 | S190 I193 N197 E228 V229 R230 A236 | S190-N232 PolarHBondContact OG-ND2 3.12Å; I193-N232 HydrophobicContact CB-CB 3.97Å; I193-N232 HydrophobicContact CD1-CB 4.47Å; I193-N232 HydrophobicContact CG2-CB 3.68Å; N197-N232 PolarHBondContact ND2-O 3.4Å; E228-N232 PolarHBondContact O-N 2.91Å; E228-N232 PolarHBondContact O-ND2 3.39Å; E228-N232 PolarHBondContact OE1-ND2 3.03Å; V229-N232 PolarHBondContact O-N 3.2Å; R230-N232 PolarHBondContact O-N 3.29Å; N232-A236 VanDerWaalsContact O-CB 3.32Å; N232-A236 WeakPolarHBondContact O-CB 3.41Å; N232-A236 PolarHBondContact O-N 3.07Å |
| 233 | V | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.8 | -44.3 | 172.5 | 172.1 | 0 | 0 | 0 | 0 | 111 | I193 L218 L221 V229 R230 K231 A236 L237 Y258 | I193-V233 HydrophobicContact CD1-CG2 3.96Å; L218-V233 HydrophobicContact CD2-CG1 4.45Å; L218-V233 HydrophobicContact CD2-CG2 4.19Å; L221-V233 HydrophobicContact CB-CG2 3.92Å; V229-V233 HydrophobicContact CG1-CG2 4.33Å; V229-V233 WeakPolarHBondContact O-CG2 3.19Å; V229-V233 PolarHBondContact O-N 3.33Å; R230-V233 PolarHBondContact O-N 3.24Å; K231-V233 VanDerWaalsContact C-N 3.33Å; K231-V233 PolarHBondContact O-N 2.98Å; V233-A236 PolarHBondContact O-N 3.12Å; V233-L237 HydrophobicContact CG1-CD1 4.18Å; V233-L237 WeakPolarHBondContact O-CG 3.34Å; V233-L237 PolarHBondContact O-N 2.93Å; V233-L237 VanDerWaalsContact O-N 3.08Å; V233-Y258 HydrophobicContact CG1-CE1 4.34Å |
| 234 | C | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.8 | -53.8 | 175.7 | -68.2 | 0 | 0 | 0 | 0 | 110.2 | R230 K231 A236 L237 V238 M259 E273 A274 | R230-C234 PolarHBondContact O-N 3.17Å; R230-C234 PolarHBondContact O-SG 3.39Å; K231-C234 WeakPolarHBondContact O-CB 3.35Å; K231-C234 PolarHBondContact O-N 2.98Å; C234-A236 VanDerWaalsContact C-N 3.3Å; C234-A236 PolarHBondContact O-N 2.91Å; C234-L237 WeakPolarHBondContact O-CB 3.38Å; C234-L237 PolarHBondContact O-N 2.89Å; C234-V238 WeakPolarHBondContact O-CG2 3.41Å; C234-V238 PolarHBondContact O-N 3.09Å; C234-M259 HydrophobicContact CB-CE 4.49Å; C234-E273 HydrophobicContact CB-CB 4.07Å; C234-A274 HydrophobicContact CB-CB 4.44Å |
| 235 | R | 96.6 | Very high | 95.8 | Very high | 92 Ų | 92 | 33.8 Ų | 33.8 | 35% | 0.347 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -54.7 | -43.1 | 177.4 | -166.9 | 169.9 | 175.2 | -170 | -3.2 | 113.2 | K231 L237 V238 M239 E273 | K231-R235 PolarHBondContact O-N 3.43Å; R235-L237 VanDerWaalsContact C-N 3.34Å; R235-L237 PolarHBondContact O-N 3.28Å; R235-V238 PolarHBondContact O-N 3.21Å; R235-M239 HydrophobicContact CG-CE 3.86Å; R235-M239 HydrophobicContact CG-SD 4.31Å; R235-M239 VanDerWaalsContact NE-CE 3.26Å; R235-M239 WeakPolarHBondContact O-CG 3.48Å; R235-M239 PolarHBondContact O-N 2.74Å; R235-E273 VanDerWaalsContact CB-OE2 3.26Å; R235-E273 WeakPolarHBondContact CB-OE2 3.19Å; R235-E273 WeakPolarHBondContact CD-OE2 3.5Å; R235-E273 WeakPolarHBondContact CG-OE2 3.4Å |
| 236 | A | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.3 | -43.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | I193 N197 I200 F214 L218 N232 V233 C234 L240 | I193-A236 HydrophobicContact CG2-CB 4.49Å; N197-A236 WeakPolarHBondContact OD1-CB 3.32Å; I200-A236 HydrophobicContact CD1-CB 4.23Å; F214-A236 HydrophobicContact CZ-CB 3.99Å; L218-A236 HydrophobicContact CD1-CB 3.77Å; L218-A236 HydrophobicContact CD2-CB 3.81Å; L218-A236 HydrophobicContact CG-CB 4.47Å; N232-A236 VanDerWaalsContact O-CB 3.32Å; N232-A236 WeakPolarHBondContact O-CB 3.41Å; N232-A236 PolarHBondContact O-N 3.07Å; V233-A236 PolarHBondContact O-N 3.12Å; C234-A236 VanDerWaalsContact C-N 3.3Å; C234-A236 PolarHBondContact O-N 2.91Å; A236-L240 VanDerWaalsContact O-CB 3.32Å; A236-L240 WeakPolarHBondContact O-CB 3.44Å; A236-L240 WeakPolarHBondContact O-CG 3.13Å; A236-L240 PolarHBondContact O-N 3.39Å |
| 237 | L | 97.6 | Very high | 95.6 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.016 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.2 | -35.3 | 178.8 | -70.7 | 171 | 0 | 0 | 0 | 112.3 | L218 F219 V233 C234 R235 L241 L248 Y258 M259 | L218-L237 HydrophobicContact CD1-CD2 4.4Å; F219-L237 HydrophobicContact CE1-CD2 4.09Å; V233-L237 HydrophobicContact CG1-CD1 4.18Å; V233-L237 WeakPolarHBondContact O-CG 3.34Å; V233-L237 PolarHBondContact O-N 2.93Å; V233-L237 VanDerWaalsContact O-N 3.08Å; C234-L237 WeakPolarHBondContact O-CB 3.38Å; C234-L237 PolarHBondContact O-N 2.89Å; R235-L237 VanDerWaalsContact C-N 3.34Å; R235-L237 PolarHBondContact O-N 3.28Å; L237-L241 WeakPolarHBondContact O-CB 3.28Å; L237-L241 PolarHBondContact O-N 3.48Å; L237-L248 HydrophobicContact CD2-CD2 4.46Å; L237-Y258 HydrophobicContact CD1-CD1 4.06Å; L237-Y258 HydrophobicContact CD1-CE1 4Å; L237-M259 HydrophobicContact CB-CE 3.4Å; L237-M259 VanDerWaalsContact CB-CE 3.4Å; L237-M259 HydrophobicContact CD1-CE 3.64Å; L237-M259 HydrophobicContact CG-CE 4.17Å |
| 238 | V | 96.8 | Very high | 95.5 | Very high | 10 Ų | 10 | 30.6 Ų | 30.6 | 6% | 0.061 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.9 | -53.4 | 172.9 | 177.1 | 0 | 0 | 0 | 0 | 110.3 | C234 R235 L240 L241 E242 E276 F277 T280 | C234-V238 WeakPolarHBondContact O-CG2 3.41Å; C234-V238 PolarHBondContact O-N 3.09Å; R235-V238 PolarHBondContact O-N 3.21Å; V238-L240 VanDerWaalsContact C-N 3.31Å; V238-L240 PolarHBondContact O-N 3.11Å; V238-L241 VanDerWaalsContact O-CB 3.26Å; V238-L241 WeakPolarHBondContact O-CB 3.49Å; V238-L241 PolarHBondContact O-N 2.93Å; V238-E242 PolarHBondContact O-N 2.95Å; V238-E276 HydrophobicContact CG1-CB 4.28Å; V238-E276 HydrophobicContact CG2-CB 4.3Å; V238-F277 HydrophobicContact CG2-CB 3.9Å; V238-T280 WeakPolarHBondContact CG1-OG1 3.49Å |
| 239 | M | 96.4 | Very high | 95.4 | Very high | 28 Ų | 28 | 30.7 Ų | 30.7 | 14% | 0.138 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60 | -41.7 | 178.1 | -66 | 170.8 | 169.6 | 0 | 0 | 111.9 | N197 I200 M201 R235 L241 E242 V243 | N197-M239 HydrophobicContact CB-SD 4.13Å; I200-M239 HydrophobicContact CB-CB 3.93Å; I200-M239 HydrophobicContact CB-SD 4.36Å; I200-M239 HydrophobicContact CD1-CB 3.98Å; I200-M239 HydrophobicContact CD1-SD 4.03Å; I200-M239 HydrophobicContact CG2-CB 3.54Å; M201-M239 HydrophobicContact CG-CG 4.33Å; M201-M239 HydrophobicContact SD-CB 4.08Å; M201-M239 HydrophobicContact SD-CG 4.29Å; R235-M239 HydrophobicContact CG-CE 3.86Å; R235-M239 HydrophobicContact CG-SD 4.31Å; R235-M239 VanDerWaalsContact NE-CE 3.26Å; R235-M239 WeakPolarHBondContact O-CG 3.48Å; R235-M239 PolarHBondContact O-N 2.74Å; M239-L241 VanDerWaalsContact C-N 3.27Å; M239-L241 PolarHBondContact O-N 3.41Å; M239-E242 PolarHBondContact O-N 2.85Å; M239-V243 WeakPolarHBondContact O-CG2 3.44Å; M239-V243 PolarHBondContact O-N 3.06Å |
| 240 | L | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.9 | -30.4 | 177 | -76.1 | 174.5 | 0 | 0 | 0 | 113.1 | I200 I211 F214 I215 L218 A236 V238 E242 R244 I245 L248 | I200-L240 HydrophobicContact CD1-CG 4.45Å; I200-L240 HydrophobicContact CG2-CD2 3.94Å; I200-L240 HydrophobicContact CG2-CG 4.23Å; I211-L240 HydrophobicContact CD1-CD2 3.65Å; F214-L240 HydrophobicContact CD1-CD1 4.15Å; F214-L240 HydrophobicContact CD1-CD2 4.45Å; F214-L240 HydrophobicContact CE1-CD1 3.81Å; F214-L240 HydrophobicContact CE1-CD2 4.23Å; F214-L240 HydrophobicContact CE1-CG 4.2Å; I215-L240 HydrophobicContact CG1-CD1 4.02Å; L218-L240 HydrophobicContact CD1-CD1 3.68Å; A236-L240 VanDerWaalsContact O-CB 3.32Å; A236-L240 WeakPolarHBondContact O-CB 3.44Å; A236-L240 WeakPolarHBondContact O-CG 3.13Å; A236-L240 PolarHBondContact O-N 3.39Å; V238-L240 VanDerWaalsContact C-N 3.31Å; V238-L240 PolarHBondContact O-N 3.11Å; L240-E242 VanDerWaalsContact C-N 3.27Å; L240-E242 PolarHBondContact O-N 3.24Å; L240-R244 HydrophobicContact CD2-CB 4.33Å; L240-R244 CarbonylContact O-C 3.49Å; L240-R244 VanDerWaalsContact O-CA 3.3Å; L240-R244 WeakPolarHBondContact O-CA 3.35Å; L240-R244 PolarHBondContact O-N 3.35Å; L240-I245 PolarHBondContact O-N 2.95Å; L240-L248 HydrophobicContact CB-CD1 3.87Å; L240-L248 HydrophobicContact CB-CD2 4.47Å; L240-L248 HydrophobicContact CB-CG 4.43Å |
| 241 | L | 95.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.2 | -37.4 | 175.7 | -178.8 | 64.3 | 0 | 0 | 0 | 111.2 | L237 V238 M239 I245 L248 M252 F277 T280 L281 Q284 | L237-L241 WeakPolarHBondContact O-CB 3.28Å; L237-L241 PolarHBondContact O-N 3.48Å; V238-L241 VanDerWaalsContact O-CB 3.26Å; V238-L241 WeakPolarHBondContact O-CB 3.49Å; V238-L241 PolarHBondContact O-N 2.93Å; M239-L241 VanDerWaalsContact C-N 3.27Å; M239-L241 PolarHBondContact O-N 3.41Å; L241-I245 HydrophobicContact CD1-CD1 3.72Å; L241-I245 HydrophobicContact CD1-CG1 3.9Å; L241-I245 WeakPolarHBondContact O-CB 3.29Å; L241-L248 HydrophobicContact CB-CD1 4.25Å; L241-M252 HydrophobicContact CD1-CE 3.94Å; L241-F277 HydrophobicContact CD2-CD2 3.88Å; L241-F277 HydrophobicContact CD2-CE2 3.7Å; L241-F277 HydrophobicContact CD2-CZ 4.2Å; L241-T280 HydrophobicContact CB-CG2 4.34Å; L241-T280 HydrophobicContact CD2-CG2 4.03Å; L241-T280 HydrophobicContact CG-CG2 4.22Å; L241-L281 HydrophobicContact CD1-CD1 3.99Å; L241-L281 HydrophobicContact CD2-CB 3.71Å; L241-L281 HydrophobicContact CD2-CD1 4.09Å; L241-L281 HydrophobicContact CD2-CG 4.49Å; L241-Q284 HydrophobicContact CG-CG 4.38Å |
| 242 | E | 93.3 | Very high | 95 | Very high | 93 Ų | 93 | 36.6 Ų | 36.6 | 44% | 0.435 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -74.9 | -44.1 | 180 | -161.1 | -177.8 | 149.2 | 0 | 0 | 112.4 | M201 V238 M239 L240 T280 | M201-E242 HydrophobicContact CE-CB 4.45Å; M201-E242 HydrophobicContact CE-CG 4.21Å; M201-E242 WeakPolarHBondContact CE-OE1 3.25Å; M201-E242 WeakPolarHBondContact CE-OE2 3.49Å; M201-E242 HydrophobicContact SD-CB 4.5Å; V238-E242 PolarHBondContact O-N 2.95Å; M239-E242 PolarHBondContact O-N 2.85Å; L240-E242 VanDerWaalsContact C-N 3.27Å; L240-E242 PolarHBondContact O-N 3.24Å; E242-T280 HydrophobicContact CB-CG2 4.07Å |
| 243 | V | 93.6 | Very high | 94.8 | Very high | 16 Ų | 16 | 41.1 Ų | 41.1 | 10% | 0.097 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -95.6 | -27.8 | -173.4 | -62.6 | 0 | 0 | 0 | 0 | 115.4 | I200 M201 R203 M239 | I200-V243 HydrophobicContact CG2-CG2 3.49Å; I200-V243 VanDerWaalsContact CG2-CG2 3.49Å; M201-V243 HydrophobicContact CE-CG1 4.23Å; M201-V243 HydrophobicContact SD-CG1 3.89Å; R203-V243 HydrophobicContact CG-CB 4.29Å; R203-V243 HydrophobicContact CG-CG1 4.26Å; M239-V243 WeakPolarHBondContact O-CG2 3.44Å; M239-V243 PolarHBondContact O-N 3.06Å |
| 244 | R | 92.4 | Very high | 94.7 | Very high | 39 Ų | 39 | 44.7 Ų | 44.7 | 15% | 0.147 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -142 | 42.1 | -169 | -68.2 | -57.1 | -57.8 | -89.8 | 1.9 | 113 | M208 L240 D246 R247 | M208-R244 HydrophobicContact CE-CG 4.02Å; M208-R244 HydrophobicContact SD-CG 3.92Å; M208-R244 PolarHBondContact SD-NH1 3.37Å; L240-R244 HydrophobicContact CD2-CB 4.33Å; L240-R244 CarbonylContact O-C 3.49Å; L240-R244 VanDerWaalsContact O-CA 3.3Å; L240-R244 WeakPolarHBondContact O-CA 3.35Å; L240-R244 PolarHBondContact O-N 3.35Å; R244-D246 VanDerWaalsContact C-OD1 3.3Å; R244-D246 VanDerWaalsContact CA-OD1 3.3Å; R244-D246 WeakPolarHBondContact CA-OD1 3.41Å; R244-D246 IonicContact CZ-OD1 3.56Å; R244-D246 IonicContact CZ-OD2 3.66Å; R244-D246 IonicContact NE-OD1 3.48Å; R244-D246 PolarHBondContact NE-OD1 3.08Å; R244-D246 IonicContact NE-OD2 2.66Å; R244-D246 IonicContact NH2-OD1 2.82Å; R244-D246 IonicContact NH2-OD2 3.81Å; R244-D246 PolarHBondContact NH2-OD2 3.41Å; R244-D246 PolarHBondContact O-N 3.19Å; R244-D246 VanDerWaalsContact O-N 3.08Å; R244-R247 VanDerWaalsContact NH2-CG 3.3Å; R244-R247 PolarHBondContact O-N 2.91Å |
| 245 | I | 92.6 | Very high | 94.6 | Very high | 33 Ų | 33 | 44.9 Ų | 44.9 | 17% | 0.169 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -52.6 | -31.1 | 173.7 | -165.2 | 164.2 | 0 | 0 | 0 | 112.8 | L240 L241 R247 L248 I249 M252 Q284 I286 | L240-I245 PolarHBondContact O-N 2.95Å; L241-I245 HydrophobicContact CD1-CD1 3.72Å; L241-I245 HydrophobicContact CD1-CG1 3.9Å; L241-I245 WeakPolarHBondContact O-CB 3.29Å; I245-R247 PolarHBondContact O-N 2.9Å; I245-R247 VanDerWaalsContact O-N 3.12Å; I245-L248 PolarHBondContact O-N 3.01Å; I245-I249 HydrophobicContact CG1-CD1 4.35Å; I245-I249 HydrophobicContact CG1-CG1 4.11Å; I245-I249 VanDerWaalsContact O-CG1 3.31Å; I245-I249 WeakPolarHBondContact O-CG1 3.32Å; I245-I249 PolarHBondContact O-N 3.07Å; I245-M252 HydrophobicContact CG1-CE 4.3Å; I245-Q284 HydrophobicContact CD1-CB 4Å; I245-Q284 HydrophobicContact CD1-CG 3.88Å; I245-I286 HydrophobicContact CD1-CG2 3.58Å |
| 246 | D | 92.3 | Very high | 94.6 | Very high | 80 Ų | 80 | 40.6 Ų | 40.6 | 43% | 0.428 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -51 | -36.9 | 176.8 | 67.7 | -59.6 | 0 | 0 | 0 | 112.9 | R244 | R244-D246 VanDerWaalsContact C-OD1 3.3Å; R244-D246 VanDerWaalsContact CA-OD1 3.3Å; R244-D246 WeakPolarHBondContact CA-OD1 3.41Å; R244-D246 IonicContact CZ-OD1 3.56Å; R244-D246 IonicContact CZ-OD2 3.66Å; R244-D246 IonicContact NE-OD1 3.48Å; R244-D246 PolarHBondContact NE-OD1 3.08Å; R244-D246 IonicContact NE-OD2 2.66Å; R244-D246 IonicContact NH2-OD1 2.82Å; R244-D246 IonicContact NH2-OD2 3.81Å; R244-D246 PolarHBondContact NH2-OD2 3.41Å; R244-D246 PolarHBondContact O-N 3.19Å; R244-D246 VanDerWaalsContact O-N 3.08Å |
| 247 | R | 93.4 | Very high | 94.5 | Very high | 96 Ų | 96 | 44.8 Ų | 44.8 | 36% | 0.362 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -88.4 | -20.7 | 179.8 | -62.6 | -57.3 | 176.4 | 131.5 | -4.5 | 113.8 | D212 I215 R244 I245 | D212-R247 VanDerWaalsContact CG-NH1 3.26Å; D212-R247 IonicContact OD1-CZ 2.67Å; D212-R247 IonicContact OD1-NH1 3.27Å; D212-R247 PolarHBondContact OD1-NH1 3.25Å; D212-R247 IonicContact OD2-NH1 3.69Å; D212-R247 PolarHBondContact OD2-NH1 3.49Å; I215-R247 HydrophobicContact CD1-CB 3.57Å; I215-R247 HydrophobicContact CD1-CG 4.43Å; R244-R247 VanDerWaalsContact NH2-CG 3.3Å; R244-R247 PolarHBondContact O-N 2.91Å; I245-R247 PolarHBondContact O-N 2.9Å; I245-R247 VanDerWaalsContact O-N 3.12Å |
| 248 | L | 93.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -86 | -29 | 178.2 | -59.5 | -171 | 0 | 0 | 0 | 112.8 | I215 L237 L240 L241 I245 P250 H251 M252 I255 | I215-L248 HydrophobicContact CD1-CD2 4.19Å; I215-L248 HydrophobicContact CG1-CD2 4.48Å; L237-L248 HydrophobicContact CD2-CD2 4.46Å; L240-L248 HydrophobicContact CB-CD1 3.87Å; L240-L248 HydrophobicContact CB-CD2 4.47Å; L240-L248 HydrophobicContact CB-CG 4.43Å; L241-L248 HydrophobicContact CB-CD1 4.25Å; I245-L248 PolarHBondContact O-N 3.01Å; L248-P250 VanDerWaalsContact C-CD 3.43Å; L248-P250 VanDerWaalsContact C-N 3.35Å; L248-H251 CarbonylContact O-C 3.48Å; L248-H251 WeakPolarHBondContact O-CA 3.4Å; L248-H251 PolarHBondContact O-N 3.16Å; L248-M252 HydrophobicContact CB-CE 4.21Å; L248-M252 PolarHBondContact O-N 2.92Å; L248-I255 HydrophobicContact CB-CD1 3.91Å; L248-I255 HydrophobicContact CD1-CD1 4.45Å; L248-I255 HydrophobicContact CD2-CD1 3.99Å; L248-I255 HydrophobicContact CG-CD1 4.34Å |
| 249 | I | 93.1 | Very high | 94.5 | Very high | 78 Ų | 78 | 45.3 Ų | 45.3 | 40% | 0.4 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -46.7 | -47.5 | -178.9 | -75.6 | 164 | 0 | 0 | 0 | 113.4 | I245 H251 M252 I286 | I245-I249 HydrophobicContact CG1-CD1 4.35Å; I245-I249 HydrophobicContact CG1-CG1 4.11Å; I245-I249 VanDerWaalsContact O-CG1 3.31Å; I245-I249 WeakPolarHBondContact O-CG1 3.32Å; I245-I249 PolarHBondContact O-N 3.07Å; I249-H251 PolarHBondContact O-N 2.93Å; I249-H251 VanDerWaalsContact O-N 3.1Å; I249-M252 WeakPolarHBondContact O-CB 3.46Å; I249-M252 PolarHBondContact O-N 3.04Å; I249-I286 HydrophobicContact CD1-CD1 4.04Å; I249-I286 HydrophobicContact CG1-CD1 4.06Å |
| 250 | P | 93.5 | Very high | 94.5 | Very high | 98 Ų | 98 | 44.3 Ų | 44.3 | 64% | 0.636 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -60.8 | -23.2 | -179.8 | -23.7 | 34.9 | 0 | 0 | 0 | 114.3 | L248 | L248-P250 VanDerWaalsContact C-CD 3.43Å; L248-P250 VanDerWaalsContact C-N 3.35Å |
| 251 | H | 93.9 | Very high | 94.5 | Very high | 87 Ų | 87 | 49.9 Ų | 49.9 | 40% | 0.403 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -112 | 4.8 | -176.4 | -57.7 | -71.7 | 0 | 0 | 0 | 112.8 | F219 L248 I249 H253 S254 I255 | F219-H251 HydrophobicContact CE2-CB 3.97Å; F219-H251 AromaticContact CE2-CD2 3.79Å; F219-H251 AromaticContact CE2-CG 3.69Å; F219-H251 HydrophobicContact CZ-CB 3.78Å; L248-H251 CarbonylContact O-C 3.48Å; L248-H251 WeakPolarHBondContact O-CA 3.4Å; L248-H251 PolarHBondContact O-N 3.16Å; I249-H251 PolarHBondContact O-N 2.93Å; I249-H251 VanDerWaalsContact O-N 3.1Å; H251-H253 VanDerWaalsContact C-N 3.3Å; H251-H253 PolarHBondContact O-N 3.03Å; H251-H253 VanDerWaalsContact O-N 3.16Å; H251-S254 WeakPolarHBondContact O-CB 3.31Å; H251-S254 PolarHBondContact O-N 2.89Å; H251-I255 HydrophobicContact CB-CD1 4.16Å; H251-I255 HydrophobicContact CB-CG1 4.42Å; H251-I255 WeakPolarHBondContact O-CG1 3.38Å; H251-I255 PolarHBondContact O-N 3.47Å |
| 252 | M | 93.6 | Very high | 94.6 | Very high | 8 Ų | 8 | 52.1 Ų | 52.1 | 4% | 0.039 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.2 | -40.7 | -167.6 | -172.2 | 58.3 | 72.2 | 0 | 0 | 113.4 | L241 I245 L248 I249 S254 I255 I256 F277 V290 | L241-M252 HydrophobicContact CD1-CE 3.94Å; I245-M252 HydrophobicContact CG1-CE 4.3Å; L248-M252 HydrophobicContact CB-CE 4.21Å; L248-M252 PolarHBondContact O-N 2.92Å; I249-M252 WeakPolarHBondContact O-CB 3.46Å; I249-M252 PolarHBondContact O-N 3.04Å; M252-S254 VanDerWaalsContact C-N 3.32Å; M252-S254 PolarHBondContact O-N 3.27Å; M252-I255 PolarHBondContact O-N 3.45Å; M252-I256 HydrophobicContact CG-CD1 3.82Å; M252-I256 HydrophobicContact CG-CG1 4.29Å; M252-I256 WeakPolarHBondContact O-CB 3.28Å; M252-I256 WeakPolarHBondContact O-CG1 3.3Å; M252-I256 PolarHBondContact O-N 2.92Å; M252-I256 HydrophobicContact SD-CD1 4.23Å; M252-I256 HydrophobicContact SD-CG1 4.18Å; M252-F277 HydrophobicContact SD-CZ 4.14Å; M252-V290 HydrophobicContact CG-CB 3.85Å; M252-V290 HydrophobicContact CG-CG1 3.82Å; M252-V290 HydrophobicContact CG-CG2 4.24Å |
| 253 | H | 93.6 | Very high | 94.8 | Very high | 102 Ų | 102 | 48 Ų | 48 | 47% | 0.472 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.8 | -41.9 | 177.2 | -180 | 63.7 | 0 | 0 | 0 | 112.7 | H251 Q257 H294 | H251-H253 VanDerWaalsContact C-N 3.3Å; H251-H253 PolarHBondContact O-N 3.03Å; H251-H253 VanDerWaalsContact O-N 3.16Å; H253-Q257 PolarHBondContact CE1-NE2 3.47Å; H253-Q257 VanDerWaalsContact CE1-NE2 3.33Å; H253-Q257 PolarHBondContact NE2-NE2 2.84Å; H253-Q257 WeakPolarHBondContact O-CG 3.46Å; H253-Q257 PolarHBondContact O-N 3.42Å; H253-Q257 VanDerWaalsContact O-N 3.09Å; H253-H294 AromaticContact CE1-CE1 3.99Å; H253-H294 AromaticContact CE1-NE2 3.31Å; H253-H294 PolarHBondContact CE1-NE2 3.39Å; H253-H294 VanDerWaalsContact CE1-NE2 3.31Å; H253-H294 AromaticContact ND1-CE1 3.38Å; H253-H294 PolarHBondContact ND1-CE1 3.05Å; H253-H294 AromaticContact ND1-NE2 3.07Å; H253-H294 PolarHBondContact ND1-NE2 3.05Å |
| 254 | S | 94 | Very high | 95 | Very high | 75 Ų | 75 | 53 Ų | 53 | 52% | 0.524 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -71 | -37 | 178.4 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | H251 M252 Q257 Y258 | H251-S254 WeakPolarHBondContact O-CB 3.31Å; H251-S254 PolarHBondContact O-N 2.89Å; M252-S254 VanDerWaalsContact C-N 3.32Å; M252-S254 PolarHBondContact O-N 3.27Å; S254-Q257 PolarHBondContact O-N 3.08Å; S254-Y258 WeakPolarHBondContact O-CB 3.38Å; S254-Y258 PolarHBondContact O-N 3.39Å |
| 255 | I | 96.1 | Very high | 95.1 | Very high | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64 | -47.6 | 175.6 | -62.7 | 168.9 | 0 | 0 | 0 | 110.2 | F219 L248 H251 M252 Q257 Y258 M259 F277 | F219-I255 HydrophobicContact CE1-CD1 4.07Å; F219-I255 HydrophobicContact CE1-CG1 3.86Å; F219-I255 HydrophobicContact CZ-CD1 4Å; F219-I255 HydrophobicContact CZ-CG1 4.15Å; L248-I255 HydrophobicContact CB-CD1 3.91Å; L248-I255 HydrophobicContact CD1-CD1 4.45Å; L248-I255 HydrophobicContact CD2-CD1 3.99Å; L248-I255 HydrophobicContact CG-CD1 4.34Å; H251-I255 HydrophobicContact CB-CD1 4.16Å; H251-I255 HydrophobicContact CB-CG1 4.42Å; H251-I255 WeakPolarHBondContact O-CG1 3.38Å; H251-I255 PolarHBondContact O-N 3.47Å; M252-I255 PolarHBondContact O-N 3.45Å; I255-Q257 VanDerWaalsContact C-N 3.33Å; I255-Q257 PolarHBondContact O-N 3.44Å; I255-Y258 WeakPolarHBondContact O-CB 3.39Å; I255-Y258 PolarHBondContact O-N 2.89Å; I255-Y258 VanDerWaalsContact O-N 3.14Å; I255-M259 HydrophobicContact CG2-CG 4.23Å; I255-M259 WeakPolarHBondContact O-CG 3.47Å; I255-M259 PolarHBondContact O-N 3.32Å; I255-F277 HydrophobicContact CG2-CE2 3.66Å; I255-F277 HydrophobicContact CG2-CZ 3.69Å |
| 256 | I | 96.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 177.2 | -70.5 | 170.4 | 0 | 0 | 0 | 110.6 | M252 Y258 M259 L260 F277 W278 V290 L291 H294 | M252-I256 HydrophobicContact CG-CD1 3.82Å; M252-I256 HydrophobicContact CG-CG1 4.29Å; M252-I256 WeakPolarHBondContact O-CB 3.28Å; M252-I256 WeakPolarHBondContact O-CG1 3.3Å; M252-I256 PolarHBondContact O-N 2.92Å; M252-I256 HydrophobicContact SD-CD1 4.23Å; M252-I256 HydrophobicContact SD-CG1 4.18Å; I256-Y258 VanDerWaalsContact C-N 3.33Å; I256-Y258 PolarHBondContact O-N 3.11Å; I256-M259 PolarHBondContact O-N 3.21Å; I256-L260 HydrophobicContact CG2-CD1 3.96Å; I256-L260 HydrophobicContact CG2-CG 4.35Å; I256-L260 WeakPolarHBondContact O-CB 3.27Å; I256-L260 VanDerWaalsContact O-CG 3.27Å; I256-L260 WeakPolarHBondContact O-CG 3.38Å; I256-L260 PolarHBondContact O-N 3.48Å; I256-F277 HydrophobicContact CG1-CE1 4.16Å; I256-F277 HydrophobicContact CG1-CZ 4.44Å; I256-W278 HydrophobicContact CG1-CZ3 4.45Å; I256-W278 HydrophobicContact CG2-CH2 4.02Å; I256-W278 HydrophobicContact CG2-CZ3 4.15Å; I256-V290 HydrophobicContact CD1-CB 4.07Å; I256-V290 HydrophobicContact CD1-CG2 4.22Å; I256-L291 HydrophobicContact CD1-CD1 4.33Å; I256-L291 HydrophobicContact CG2-CD1 4.35Å; I256-H294 HydrophobicContact CG2-CB 4.01Å |
| 257 | Q | 95.8 | Very high | 95.2 | Very high | 88 Ų | 88 | 58.7 Ų | 58.7 | 41% | 0.411 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 176 | -76.5 | -179.1 | -16.5 | 0 | 0 | 112.6 | H253 S254 I255 Q261 | H253-Q257 PolarHBondContact CE1-NE2 3.47Å; H253-Q257 VanDerWaalsContact CE1-NE2 3.33Å; H253-Q257 PolarHBondContact NE2-NE2 2.84Å; H253-Q257 WeakPolarHBondContact O-CG 3.46Å; H253-Q257 PolarHBondContact O-N 3.42Å; H253-Q257 VanDerWaalsContact O-N 3.09Å; S254-Q257 PolarHBondContact O-N 3.08Å; I255-Q257 VanDerWaalsContact C-N 3.33Å; I255-Q257 PolarHBondContact O-N 3.44Å; Q257-Q261 WeakPolarHBondContact O-CG 3.27Å; Q257-Q261 PolarHBondContact O-N 3.11Å |
| 258 | Y | 96.3 | Very high | 95.1 | Very high | 24 Ų | 24 | 59.2 Ų | 59.2 | 9% | 0.094 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.5 | -50.8 | 175.2 | 172.5 | -106.3 | 0 | 0 | 0 | 111.1 | A222 V233 L237 S254 I255 I256 L260 Q261 R262 | A222-Y258 HydrophobicContact CB-CD2 3.97Å; A222-Y258 HydrophobicContact CB-CE2 3.74Å; A222-Y258 WeakPolarHBondContact O-CE2 3.37Å; V233-Y258 HydrophobicContact CG1-CE1 4.34Å; L237-Y258 HydrophobicContact CD1-CD1 4.06Å; L237-Y258 HydrophobicContact CD1-CE1 4Å; S254-Y258 WeakPolarHBondContact O-CB 3.38Å; S254-Y258 PolarHBondContact O-N 3.39Å; I255-Y258 WeakPolarHBondContact O-CB 3.39Å; I255-Y258 PolarHBondContact O-N 2.89Å; I255-Y258 VanDerWaalsContact O-N 3.14Å; I256-Y258 VanDerWaalsContact C-N 3.33Å; I256-Y258 PolarHBondContact O-N 3.11Å; Y258-L260 PolarHBondContact O-N 3.39Å; Y258-Q261 WeakPolarHBondContact O-CB 3.48Å; Y258-Q261 PolarHBondContact O-N 3.22Å; Y258-Q261 VanDerWaalsContact O-N 3.09Å; Y258-R262 HydrophobicContact CD1-CG 4.17Å; Y258-R262 HydrophobicContact CD2-CG 3.99Å; Y258-R262 HydrophobicContact CE1-CG 3.71Å; Y258-R262 HydrophobicContact CE2-CG 3.49Å; Y258-R262 VanDerWaalsContact CE2-CG 3.49Å; Y258-R262 HydrophobicContact CG-CG 4.3Å; Y258-R262 WeakPolarHBondContact O-CG 3.39Å; Y258-R262 PolarHBondContact O-N 3.29Å |
| 259 | M | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.7 | -40.3 | -179.5 | -66.6 | -54.8 | -159.8 | 0 | 0 | 112 | C234 L237 I255 I256 Q261 R262 T263 A274 F277 W278 | C234-M259 HydrophobicContact CB-CE 4.49Å; L237-M259 HydrophobicContact CB-CE 3.4Å; L237-M259 VanDerWaalsContact CB-CE 3.4Å; L237-M259 HydrophobicContact CD1-CE 3.64Å; L237-M259 HydrophobicContact CG-CE 4.17Å; I255-M259 HydrophobicContact CG2-CG 4.23Å; I255-M259 WeakPolarHBondContact O-CG 3.47Å; I255-M259 PolarHBondContact O-N 3.32Å; I256-M259 PolarHBondContact O-N 3.21Å; M259-Q261 PolarHBondContact O-N 3.21Å; M259-R262 PolarHBondContact O-N 2.83Å; M259-T263 PolarHBondContact O-N 3.47Å; M259-T263 PolarHBondContact O-OG1 3.3Å; M259-A274 HydrophobicContact SD-CB 4.26Å; M259-F277 HydrophobicContact CB-CD1 3.92Å; M259-F277 HydrophobicContact CB-CE1 4.38Å; M259-F277 HydrophobicContact CB-CG 4.24Å; M259-F277 HydrophobicContact CE-CB 4.07Å; M259-F277 HydrophobicContact CE-CD2 3.65Å; M259-F277 HydrophobicContact CE-CE2 4.34Å; M259-F277 HydrophobicContact CE-CG 3.99Å; M259-F277 HydrophobicContact CG-CB 4.1Å; M259-F277 HydrophobicContact CG-CD1 3.75Å; M259-F277 HydrophobicContact CG-CD2 3.97Å; M259-F277 HydrophobicContact CG-CE1 4.14Å; M259-F277 HydrophobicContact CG-CE2 4.32Å; M259-F277 HydrophobicContact CG-CG 3.66Å; M259-F277 HydrophobicContact CG-CZ 4.41Å; M259-F277 HydrophobicContact SD-CB 4.33Å; M259-F277 HydrophobicContact SD-CG 4.39Å; M259-W278 HydrophobicContact CB-CH2 3.74Å; M259-W278 HydrophobicContact CB-CZ2 3.6Å |
| 260 | L | 97.6 | Very high | 95.2 | Very high | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.9 | -36.7 | 175 | -77.1 | 168.1 | 0 | 0 | 0 | 112.3 | I256 Y258 Q264 W278 H294 L298 I301 | I256-L260 HydrophobicContact CG2-CD1 3.96Å; I256-L260 HydrophobicContact CG2-CG 4.35Å; I256-L260 WeakPolarHBondContact O-CB 3.27Å; I256-L260 VanDerWaalsContact O-CG 3.27Å; I256-L260 WeakPolarHBondContact O-CG 3.38Å; I256-L260 PolarHBondContact O-N 3.48Å; Y258-L260 PolarHBondContact O-N 3.39Å; L260-Q264 PolarHBondContact O-NE2 3.26Å; L260-W278 HydrophobicContact CB-CZ2 4.45Å; L260-W278 HydrophobicContact CD2-CH2 4Å; L260-W278 HydrophobicContact CD2-CZ2 3.86Å; L260-W278 HydrophobicContact CG-CH2 3.77Å; L260-W278 HydrophobicContact CG-CZ2 3.9Å; L260-H294 HydrophobicContact CD1-CB 4.37Å; L260-L298 HydrophobicContact CD2-CB 3.86Å; L260-L298 HydrophobicContact CD2-CD1 3.77Å; L260-L298 HydrophobicContact CD2-CG 4.41Å; L260-I301 HydrophobicContact CB-CD1 4.49Å; L260-I301 HydrophobicContact CD2-CD1 3.74Å |
| 261 | Q | 96.3 | Very high | 95.4 | Very high | 117 Ų | 117 | 55.5 Ų | 55.5 | 55% | 0.547 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -75.9 | -38.4 | 176.2 | -67.8 | 178 | 7.7 | 0 | 0 | 112 | Q257 Y258 M259 Q264 | Q257-Q261 WeakPolarHBondContact O-CG 3.27Å; Q257-Q261 PolarHBondContact O-N 3.11Å; Y258-Q261 WeakPolarHBondContact O-CB 3.48Å; Y258-Q261 PolarHBondContact O-N 3.22Å; Y258-Q261 VanDerWaalsContact O-N 3.09Å; M259-Q261 PolarHBondContact O-N 3.21Å; Q261-Q264 CarbonylContact O-C 3.6Å; Q261-Q264 PolarHBondContact O-N 2.76Å |
| 262 | R | 97.1 | Very high | 95.4 | Very high | 47 Ų | 47 | 52.5 Ų | 52.5 | 18% | 0.177 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -74.2 | -32.5 | -179.5 | -64.7 | -60.3 | 87.1 | 125.4 | -3.4 | 113.3 | R230 Y258 M259 Q264 D265 A271 A274 | R230-R262 VanDerWaalsContact CD-NH1 3.33Å; Y258-R262 HydrophobicContact CD1-CG 4.17Å; Y258-R262 HydrophobicContact CD2-CG 3.99Å; Y258-R262 HydrophobicContact CE1-CG 3.71Å; Y258-R262 HydrophobicContact CE2-CG 3.49Å; Y258-R262 VanDerWaalsContact CE2-CG 3.49Å; Y258-R262 HydrophobicContact CG-CG 4.3Å; Y258-R262 WeakPolarHBondContact O-CG 3.39Å; Y258-R262 PolarHBondContact O-N 3.29Å; M259-R262 PolarHBondContact O-N 2.83Å; R262-Q264 PolarHBondContact O-N 2.92Å; R262-Q264 VanDerWaalsContact O-N 3.1Å; R262-D265 IonicContact NE-OD2 2.76Å; R262-D265 WeakPolarHBondContact O-CB 3.39Å; R262-D265 PolarHBondContact O-N 3.5Å; R262-A271 VanDerWaalsContact O-CA 3.32Å; R262-A271 WeakPolarHBondContact O-CA 3.43Å; R262-A274 HydrophobicContact CB-CB 3.45Å; R262-A274 VanDerWaalsContact CB-CB 3.45Å |
| 263 | T | 97.7 | Very high | 95.6 | Very high | 8 Ų | 8 | 53.6 Ų | 53.6 | 5% | 0.049 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -17.4 | 170.7 | -51.6 | 0 | 0 | 0 | 0 | 112.2 | M259 A274 C275 W278 I301 | M259-T263 PolarHBondContact O-N 3.47Å; M259-T263 PolarHBondContact O-OG1 3.3Å; T263-A274 PolarHBondContact OG1-O 2.91Å; T263-C275 HydrophobicContact CG2-CB 4.01Å; T263-W278 PolarHBondContact OG1-NE1 3.21Å; T263-I301 HydrophobicContact CG2-CG2 3.75Å |
| 264 | Q | 96.6 | Very high | 95.8 | Very high | 120 Ų | 120 | 48.7 Ų | 48.7 | 56% | 0.561 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | 16.8 | 174.7 | -62.7 | 174.1 | 91.6 | 0 | 0 | 112.7 | L260 Q261 R262 I301 | L260-Q264 PolarHBondContact O-NE2 3.26Å; Q261-Q264 CarbonylContact O-C 3.6Å; Q261-Q264 PolarHBondContact O-N 2.76Å; R262-Q264 PolarHBondContact O-N 2.92Å; R262-Q264 VanDerWaalsContact O-N 3.1Å; Q264-I301 HydrophobicContact CG-CB 4.44Å; Q264-I301 HydrophobicContact CG-CD1 4.17Å; Q264-I301 HydrophobicContact CG-CG1 3.99Å; Q264-I301 HydrophobicContact CG-CG2 3.64Å |
| 265 | D | 96 | Very high | 96 | Very high | 27 Ų | 27 | 45.1 Ų | 45.1 | 14% | 0.144 | 22% | 0.215 | C | C | . | . | trans | -62.8 | 153.4 | 177.6 | -155.8 | -57.6 | 0 | 0 | 0 | 110.6 | R230 R262 D267 V270 | R230-D265 IonicContact CZ-OD2 3.08Å; R230-D265 IonicContact NE-OD2 2.72Å; R230-D265 PolarHBondContact NE-OD2 2.84Å; R230-D265 IonicContact NH2-OD1 2.71Å; R230-D265 PolarHBondContact NH2-OD1 2.9Å; R230-D265 IonicContact NH2-OD2 3.13Å; R230-D265 PolarHBondContact NH2-OD2 3.33Å; R262-D265 IonicContact NE-OD2 2.76Å; R262-D265 WeakPolarHBondContact O-CB 3.39Å; R262-D265 PolarHBondContact O-N 3.5Å; D265-D267 VanDerWaalsContact C-N 3.3Å; D265-D267 PolarHBondContact OD1-N 3.47Å; D265-D267 VanDerWaalsContact OD1-N 3.13Å; D265-V270 HydrophobicContact CB-CB 4.04Å; D265-V270 HydrophobicContact CB-CG1 3.88Å | ||
| 266 | H | 92.8 | Very high | 96 | Very high | 193 Ų | 193 | 47.2 Ų | 47.2 | 89% | 0.894 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -74.9 | -25.1 | 178 | -66.5 | -58.7 | 0 | 0 | 0 | 111.9 | ||
| 267 | D | 93.9 | Very high | 96 | Very high | 51 Ų | 51 | 47.2 Ų | 47.2 | 27% | 0.273 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -82.6 | 113.9 | 170.7 | -168.5 | -63.1 | 0 | 0 | 0 | 109.5 | P227 D265 N269 V270 A271 | P227-D267 HydrophobicContact CB-CB 4.22Å; D265-D267 VanDerWaalsContact C-N 3.3Å; D265-D267 PolarHBondContact OD1-N 3.47Å; D265-D267 VanDerWaalsContact OD1-N 3.13Å; D267-N269 PolarHBondContact O-N 2.97Å; D267-N269 VanDerWaalsContact OD1-CB 3.29Å; D267-N269 WeakPolarHBondContact OD1-CB 3.39Å; D267-N269 PolarHBondContact OD1-N 2.96Å; D267-N269 PolarHBondContact OD1-ND2 3.27Å; D267-V270 HydrophobicContact CB-CB 4.23Å; D267-V270 HydrophobicContact CB-CG2 3.89Å; D267-V270 PolarHBondContact O-N 3.22Å; D267-V270 VanDerWaalsContact O-N 3.1Å; D267-V270 PolarHBondContact OD1-N 3.21Å; D267-A271 PolarHBondContact O-N 3.19Å |
| 268 | E | 90.9 | Very high | 96.1 | Very high | 108 Ų | 108 | 43 Ų | 43 | 51% | 0.505 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.4 | -29.7 | -177.1 | -69.2 | -176 | 169.7 | 0 | 0 | 112.9 | A271 L272 | E268-A271 PolarHBondContact O-N 3.28Å; E268-L272 WeakPolarHBondContact O-CB 3.33Å; E268-L272 PolarHBondContact O-N 3.06Å |
| 269 | N | 92.7 | Very high | 95.9 | Very high | 95 Ų | 95 | 43.5 Ų | 43.5 | 51% | 0.508 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -71 | -37.6 | 177.7 | -51.1 | -75.4 | 0 | 0 | 0 | 111.1 | K231 D267 E273 | K231-N269 HydrophobicContact CD-CB 4.02Å; D267-N269 PolarHBondContact O-N 2.97Å; D267-N269 VanDerWaalsContact OD1-CB 3.29Å; D267-N269 WeakPolarHBondContact OD1-CB 3.39Å; D267-N269 PolarHBondContact OD1-N 2.96Å; D267-N269 PolarHBondContact OD1-ND2 3.27Å; N269-E273 WeakPolarHBondContact O-CG 3.42Å; N269-E273 PolarHBondContact O-N 3.43Å; N269-E273 VanDerWaalsContact O-N 3.14Å |
| 270 | V | 96.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.2 | -41.6 | 174.2 | -180 | 0 | 0 | 0 | 0 | 110.2 | P227 R230 K231 D265 D267 A274 | P227-V270 HydrophobicContact CB-CG2 3.99Å; P227-V270 VanDerWaalsContact O-CG2 3.29Å; P227-V270 WeakPolarHBondContact O-CG2 3.49Å; R230-V270 HydrophobicContact CB-CG1 3.95Å; R230-V270 HydrophobicContact CB-CG2 4.3Å; K231-V270 HydrophobicContact CB-CG2 4.16Å; D265-V270 HydrophobicContact CB-CB 4.04Å; D265-V270 HydrophobicContact CB-CG1 3.88Å; D267-V270 HydrophobicContact CB-CB 4.23Å; D267-V270 HydrophobicContact CB-CG2 3.89Å; D267-V270 PolarHBondContact O-N 3.22Å; D267-V270 VanDerWaalsContact O-N 3.1Å; D267-V270 PolarHBondContact OD1-N 3.21Å; V270-A274 VanDerWaalsContact O-CB 3.28Å; V270-A274 WeakPolarHBondContact O-CB 3.33Å; V270-A274 PolarHBondContact O-N 2.81Å |
| 271 | A | 97.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 2% | 0.017 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.3 | -42.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R262 D267 E268 A274 C275 L372 | R262-A271 VanDerWaalsContact O-CA 3.32Å; R262-A271 WeakPolarHBondContact O-CA 3.43Å; D267-A271 PolarHBondContact O-N 3.19Å; E268-A271 PolarHBondContact O-N 3.28Å; A271-A274 PolarHBondContact O-N 3.38Å; A271-C275 VanDerWaalsContact O-CB 3.28Å; A271-C275 WeakPolarHBondContact O-CB 3.37Å; A271-C275 PolarHBondContact O-N 2.93Å; A271-L372 HydrophobicContact CB-CD1 4.23Å; A271-L372 HydrophobicContact CB-CD2 3.88Å |
| 272 | L | 95.6 | Very high | 95.5 | Very high | 24 Ų | 24 | 38.5 Ų | 38.5 | 13% | 0.126 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.4 | -54.5 | 175.8 | 174.6 | 55.8 | 0 | 0 | 0 | 111.6 | E268 A274 C275 E276 C375 | E268-L272 WeakPolarHBondContact O-CB 3.33Å; E268-L272 PolarHBondContact O-N 3.06Å; L272-A274 PolarHBondContact O-N 2.97Å; L272-C275 WeakPolarHBondContact O-CA 3.49Å; L272-C275 VanDerWaalsContact O-CB 3.29Å; L272-C275 WeakPolarHBondContact O-CB 3.1Å; L272-C275 PolarHBondContact O-N 2.88Å; L272-E276 PolarHBondContact O-N 2.93Å; L272-C375 HydrophobicContact CD1-CB 3.62Å |
| 273 | E | 96.1 | Very high | 95.1 | Very high | 31 Ų | 31 | 42 Ų | 42 | 15% | 0.145 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.9 | -28 | -177.9 | -65.5 | -96.5 | -163 | 0 | 0 | 112.1 | K231 C234 R235 N269 | K231-E273 HydrophobicContact CD-CG 4.36Å; K231-E273 HydrophobicContact CG-CB 4.22Å; K231-E273 HydrophobicContact CG-CG 3.66Å; C234-E273 HydrophobicContact CB-CB 4.07Å; R235-E273 VanDerWaalsContact CB-OE2 3.26Å; R235-E273 WeakPolarHBondContact CB-OE2 3.19Å; R235-E273 WeakPolarHBondContact CD-OE2 3.5Å; R235-E273 WeakPolarHBondContact CG-OE2 3.4Å; N269-E273 WeakPolarHBondContact O-CG 3.42Å; N269-E273 PolarHBondContact O-N 3.43Å; N269-E273 VanDerWaalsContact O-N 3.14Å |
| 274 | A | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -76.3 | -29.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113 | C234 M259 R262 T263 V270 A271 L272 F277 | C234-A274 HydrophobicContact CB-CB 4.44Å; M259-A274 HydrophobicContact SD-CB 4.26Å; R262-A274 HydrophobicContact CB-CB 3.45Å; R262-A274 VanDerWaalsContact CB-CB 3.45Å; T263-A274 PolarHBondContact OG1-O 2.91Å; V270-A274 VanDerWaalsContact O-CB 3.28Å; V270-A274 WeakPolarHBondContact O-CB 3.33Å; V270-A274 PolarHBondContact O-N 2.81Å; A271-A274 PolarHBondContact O-N 3.38Å; L272-A274 PolarHBondContact O-N 2.97Å; A274-F277 VanDerWaalsContact O-CB 3.28Å; A274-F277 WeakPolarHBondContact O-CB 3.49Å; A274-F277 PolarHBondContact O-N 3.41Å |
| 275 | C | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.2 | -34.8 | 178.6 | -166.1 | 0 | 0 | 0 | 0 | 111.6 | T263 A271 L272 F277 W278 L372 C375 | T263-C275 HydrophobicContact CG2-CB 4.01Å; A271-C275 VanDerWaalsContact O-CB 3.28Å; A271-C275 WeakPolarHBondContact O-CB 3.37Å; A271-C275 PolarHBondContact O-N 2.93Å; L272-C275 WeakPolarHBondContact O-CA 3.49Å; L272-C275 VanDerWaalsContact O-CB 3.29Å; L272-C275 WeakPolarHBondContact O-CB 3.1Å; L272-C275 PolarHBondContact O-N 2.88Å; C275-F277 PolarHBondContact O-N 2.69Å; C275-F277 VanDerWaalsContact O-N 3.13Å; C275-W278 WeakPolarHBondContact O-CB 3.27Å; C275-W278 VanDerWaalsContact O-CD1 3.25Å; C275-W278 PolarHBondContact O-N 3.12Å; C275-L372 HydrophobicContact CB-CD1 3.69Å; C275-C375 VanDerWaalsContact C-SG 3.55Å; C275-C375 HydrophobicContact CB-CB 4.42Å; C275-C375 VanDerWaalsContact SG-SG 3.6Å |
| 276 | E | 96.4 | Very high | 94.3 | Very high | 49 Ų | 49 | 44 Ų | 44 | 23% | 0.229 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.6 | -27.8 | 175.7 | -70 | -172.5 | -176.7 | 0 | 0 | 112.7 | V238 L272 W278 L279 T280 W370 C375 | V238-E276 HydrophobicContact CG1-CB 4.28Å; V238-E276 HydrophobicContact CG2-CB 4.3Å; L272-E276 PolarHBondContact O-N 2.93Å; E276-W278 PolarHBondContact O-N 2.98Å; E276-L279 WeakPolarHBondContact O-CB 3.29Å; E276-L279 PolarHBondContact O-N 2.87Å; E276-L279 VanDerWaalsContact O-N 3.14Å; E276-T280 PolarHBondContact O-N 3.4Å; E276-T280 PolarHBondContact O-OG1 3.45Å; E276-W370 PolarHBondContact OE1-NE1 2.89Å; E276-W370 VanDerWaalsContact OE1-NE1 3.07Å; E276-C375 PolarHBondContact N-SG 2.94Å; E276-C375 VanDerWaalsContact N-SG 3.44Å |
| 277 | F | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -54.9 | -36.8 | 172.6 | -178.5 | -94.9 | 0 | 0 | 0 | 112.9 | V238 L241 M252 I255 I256 M259 A274 C275 L281 | V238-F277 HydrophobicContact CG2-CB 3.9Å; L241-F277 HydrophobicContact CD2-CD2 3.88Å; L241-F277 HydrophobicContact CD2-CE2 3.7Å; L241-F277 HydrophobicContact CD2-CZ 4.2Å; M252-F277 HydrophobicContact SD-CZ 4.14Å; I255-F277 HydrophobicContact CG2-CE2 3.66Å; I255-F277 HydrophobicContact CG2-CZ 3.69Å; I256-F277 HydrophobicContact CG1-CE1 4.16Å; I256-F277 HydrophobicContact CG1-CZ 4.44Å; M259-F277 HydrophobicContact CB-CD1 3.92Å; M259-F277 HydrophobicContact CB-CE1 4.38Å; M259-F277 HydrophobicContact CB-CG 4.24Å; M259-F277 HydrophobicContact CE-CB 4.07Å; M259-F277 HydrophobicContact CE-CD2 3.65Å; M259-F277 HydrophobicContact CE-CE2 4.34Å; M259-F277 HydrophobicContact CE-CG 3.99Å; M259-F277 HydrophobicContact CG-CB 4.1Å; M259-F277 HydrophobicContact CG-CD1 3.75Å; M259-F277 HydrophobicContact CG-CD2 3.97Å; M259-F277 HydrophobicContact CG-CE1 4.14Å; M259-F277 HydrophobicContact CG-CE2 4.32Å; M259-F277 HydrophobicContact CG-CG 3.66Å; M259-F277 HydrophobicContact CG-CZ 4.41Å; M259-F277 HydrophobicContact SD-CB 4.33Å; M259-F277 HydrophobicContact SD-CG 4.39Å; A274-F277 VanDerWaalsContact O-CB 3.28Å; A274-F277 WeakPolarHBondContact O-CB 3.49Å; A274-F277 PolarHBondContact O-N 3.41Å; C275-F277 PolarHBondContact O-N 2.69Å; C275-F277 VanDerWaalsContact O-N 3.13Å; F277-L281 HydrophobicContact CE1-CB 4.45Å; F277-L281 HydrophobicContact CE1-CD2 3.8Å; F277-L281 HydrophobicContact CZ-CD2 4.3Å; F277-L281 WeakPolarHBondContact O-CB 3.36Å; F277-L281 PolarHBondContact O-N 3.24Å |
| 278 | W | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -72 | -37.4 | -179.3 | -51.9 | 120.1 | 0 | 0 | 0 | 112.1 | I256 M259 L260 T263 C275 E276 L281 A282 L291 L298 L302 A379 | I256-W278 HydrophobicContact CG1-CZ3 4.45Å; I256-W278 HydrophobicContact CG2-CH2 4.02Å; I256-W278 HydrophobicContact CG2-CZ3 4.15Å; M259-W278 HydrophobicContact CB-CH2 3.74Å; M259-W278 HydrophobicContact CB-CZ2 3.6Å; L260-W278 HydrophobicContact CB-CZ2 4.45Å; L260-W278 HydrophobicContact CD2-CH2 4Å; L260-W278 HydrophobicContact CD2-CZ2 3.86Å; L260-W278 HydrophobicContact CG-CH2 3.77Å; L260-W278 HydrophobicContact CG-CZ2 3.9Å; T263-W278 PolarHBondContact OG1-NE1 3.21Å; C275-W278 WeakPolarHBondContact O-CB 3.27Å; C275-W278 VanDerWaalsContact O-CD1 3.25Å; C275-W278 PolarHBondContact O-N 3.12Å; E276-W278 PolarHBondContact O-N 2.98Å; W278-L281 HydrophobicContact CE3-CD2 4.46Å; W278-L281 HydrophobicContact CZ3-CD2 4.5Å; W278-A282 WeakPolarHBondContact O-CB 3.46Å; W278-A282 PolarHBondContact O-N 3.1Å; W278-L291 HydrophobicContact CE3-CD1 4.11Å; W278-L291 HydrophobicContact CZ3-CD1 3.75Å; W278-L298 HydrophobicContact CD2-CD1 3.6Å; W278-L298 HydrophobicContact CD2-CD2 3.94Å; W278-L298 HydrophobicContact CD2-CG 4.45Å; W278-L298 VanDerWaalsContact CE2-CD1 3.44Å; W278-L298 HydrophobicContact CE3-CD1 4.13Å; W278-L298 HydrophobicContact CE3-CD2 3.76Å; W278-L298 HydrophobicContact CG-CD1 3.94Å; W278-L298 HydrophobicContact CG-CD2 4.36Å; W278-L298 HydrophobicContact CH2-CD1 4.41Å; W278-L298 HydrophobicContact CZ2-CD1 3.88Å; W278-L298 HydrophobicContact CZ3-CD2 4.27Å; W278-L302 HydrophobicContact CG-CD2 4.36Å; W278-A379 HydrophobicContact CB-CB 3.88Å |
| 279 | L | 92.3 | Very high | 94.4 | Very high | 34 Ų | 34 | 38.7 Ų | 38.7 | 18% | 0.178 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.3 | -57 | 175.8 | -171.8 | 68.6 | 0 | 0 | 0 | 109.8 | E276 L281 A282 E283 W370 A378 A379 V382 | E276-L279 WeakPolarHBondContact O-CB 3.29Å; E276-L279 PolarHBondContact O-N 2.87Å; E276-L279 VanDerWaalsContact O-N 3.14Å; L279-L281 VanDerWaalsContact C-N 3.29Å; L279-L281 PolarHBondContact O-N 2.93Å; L279-A282 WeakPolarHBondContact O-CB 3.46Å; L279-A282 PolarHBondContact O-N 3.38Å; L279-E283 PolarHBondContact O-N 3.26Å; L279-W370 HydrophobicContact CD2-CZ2 4.45Å; L279-A378 HydrophobicContact CD1-CB 3.96Å; L279-A379 HydrophobicContact CB-CB 4.42Å; L279-V382 HydrophobicContact CD1-CB 4.49Å; L279-V382 HydrophobicContact CD1-CG2 3.72Å |
| 280 | T | 93.9 | Very high | 94.4 | Very high | 15 Ų | 15 | 35.4 Ų | 35.4 | 9% | 0.092 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.4 | -35.8 | 178.7 | -51.3 | 0 | 0 | 0 | 0 | 112.3 | V238 L241 E242 E276 A282 Q284 | V238-T280 WeakPolarHBondContact CG1-OG1 3.49Å; L241-T280 HydrophobicContact CB-CG2 4.34Å; L241-T280 HydrophobicContact CD2-CG2 4.03Å; L241-T280 HydrophobicContact CG-CG2 4.22Å; E242-T280 HydrophobicContact CB-CG2 4.07Å; E276-T280 PolarHBondContact O-N 3.4Å; E276-T280 PolarHBondContact O-OG1 3.45Å; T280-A282 VanDerWaalsContact C-N 3.35Å; T280-Q284 WeakPolarHBondContact O-CG 3.16Å |
| 281 | L | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.1 | -36.8 | 176.5 | -176.1 | 60.8 | 0 | 0 | 0 | 112 | L241 F277 W278 L279 E283 Q284 C287 V290 L291 | L241-L281 HydrophobicContact CD1-CD1 3.99Å; L241-L281 HydrophobicContact CD2-CB 3.71Å; L241-L281 HydrophobicContact CD2-CD1 4.09Å; L241-L281 HydrophobicContact CD2-CG 4.49Å; F277-L281 HydrophobicContact CE1-CB 4.45Å; F277-L281 HydrophobicContact CE1-CD2 3.8Å; F277-L281 HydrophobicContact CZ-CD2 4.3Å; F277-L281 WeakPolarHBondContact O-CB 3.36Å; F277-L281 PolarHBondContact O-N 3.24Å; W278-L281 HydrophobicContact CE3-CD2 4.46Å; W278-L281 HydrophobicContact CZ3-CD2 4.5Å; L279-L281 VanDerWaalsContact C-N 3.29Å; L279-L281 PolarHBondContact O-N 2.93Å; L281-E283 VanDerWaalsContact C-N 3.26Å; L281-E283 PolarHBondContact O-N 3.16Å; L281-Q284 WeakPolarHBondContact O-CB 3.34Å; L281-Q284 PolarHBondContact O-N 3.37Å; L281-C287 VanDerWaalsContact O-CB 3.26Å; L281-C287 WeakPolarHBondContact O-CB 3.15Å; L281-V290 HydrophobicContact CD1-CG2 4.03Å; L281-V290 HydrophobicContact CD2-CG2 4.17Å; L281-L291 HydrophobicContact CD2-CD1 4.12Å; L281-L291 HydrophobicContact CD2-CD2 4.41Å |
| 282 | A | 93 | Very high | 94.2 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 3% | 0.033 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.8 | -32.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | W278 L279 T280 Q284 V382 L383 V386 | W278-A282 WeakPolarHBondContact O-CB 3.46Å; W278-A282 PolarHBondContact O-N 3.1Å; L279-A282 WeakPolarHBondContact O-CB 3.46Å; L279-A282 PolarHBondContact O-N 3.38Å; T280-A282 VanDerWaalsContact C-N 3.35Å; A282-Q284 PolarHBondContact O-N 3.47Å; A282-V382 HydrophobicContact CB-CB 3.93Å; A282-V382 HydrophobicContact CB-CG1 3.46Å; A282-V382 VanDerWaalsContact CB-CG1 3.46Å; A282-L383 HydrophobicContact CB-CD2 3.98Å; A282-L383 HydrophobicContact CB-CG 4.2Å; A282-V386 HydrophobicContact CB-CG2 4.47Å; A282-V386 VanDerWaalsContact O-CG2 3.29Å; A282-V386 WeakPolarHBondContact O-CG2 3.42Å |
| 283 | E | 88.9 | Confident | 94.1 | Very high | 120 Ų | 120 | 41 Ų | 41 | 56% | 0.561 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -18.1 | 174.1 | -64.8 | 167.5 | -172.3 | 0 | 0 | 113.2 | L279 L281 | L279-E283 PolarHBondContact O-N 3.26Å; L281-E283 VanDerWaalsContact C-N 3.26Å; L281-E283 PolarHBondContact O-N 3.16Å |
| 284 | Q | 90.3 | Very high | 94 | Very high | 34 Ų | 34 | 40 Ų | 40 | 16% | 0.159 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -78.9 | 135.9 | -178.5 | -58.8 | -60.2 | -44 | 0 | 0 | 111.3 | L241 I245 T280 L281 A282 I286 C287 | L241-Q284 HydrophobicContact CG-CG 4.38Å; I245-Q284 HydrophobicContact CD1-CB 4Å; I245-Q284 HydrophobicContact CD1-CG 3.88Å; T280-Q284 WeakPolarHBondContact O-CG 3.16Å; L281-Q284 WeakPolarHBondContact O-CB 3.34Å; L281-Q284 PolarHBondContact O-N 3.37Å; A282-Q284 PolarHBondContact O-N 3.47Å; Q284-I286 HydrophobicContact CB-CG2 4.32Å; Q284-I286 PolarHBondContact O-N 3.06Å; Q284-C287 WeakPolarHBondContact O-CB 3.41Å; Q284-C287 PolarHBondContact O-N 3.38Å |
| 285 | P | 89.4 | Confident | 93.8 | Very high | 126 Ų | 126 | 40.3 Ų | 40.3 | 82% | 0.818 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -25.2 | 179 | -27 | 34 | 0 | 0 | 0 | 114.8 | C287 | P285-C287 VanDerWaalsContact C-N 3.34Š|
| 286 | I | 92.6 | Very high | 93.7 | Very high | 37 Ų | 37 | 44.8 Ų | 44.8 | 19% | 0.19 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -7.3 | -179.7 | -156.7 | 178.7 | 0 | 0 | 0 | 113.3 | I245 I249 Q284 K288 E289 V290 | I245-I286 HydrophobicContact CD1-CG2 3.58Å; I249-I286 HydrophobicContact CD1-CD1 4.04Å; I249-I286 HydrophobicContact CG1-CD1 4.06Å; Q284-I286 HydrophobicContact CB-CG2 4.32Å; Q284-I286 PolarHBondContact O-N 3.06Å; I286-K288 VanDerWaalsContact C-N 3.3Å; I286-K288 PolarHBondContact O-N 3.17Å; I286-K288 VanDerWaalsContact O-N 3.16Å; I286-E289 HydrophobicContact CG1-CB 4.22Å; I286-E289 PolarHBondContact O-N 3.3Å; I286-V290 HydrophobicContact CD1-CG1 3.99Å; I286-V290 HydrophobicContact CG1-CG1 3.98Å; I286-V290 PolarHBondContact O-N 3.36Å |
| 287 | C | 93.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.007 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -44.5 | -53.8 | -174.1 | 177.1 | 0 | 0 | 0 | 0 | 112.5 | L281 Q284 P285 E289 V290 L291 V386 | L281-C287 VanDerWaalsContact O-CB 3.26Å; L281-C287 WeakPolarHBondContact O-CB 3.15Å; Q284-C287 WeakPolarHBondContact O-CB 3.41Å; Q284-C287 PolarHBondContact O-N 3.38Å; P285-C287 VanDerWaalsContact C-N 3.34Å; C287-E289 VanDerWaalsContact C-N 3.29Å; C287-E289 PolarHBondContact O-N 2.93Å; C287-V290 WeakPolarHBondContact O-CG2 3.32Å; C287-V290 PolarHBondContact O-N 3.19Å; C287-L291 WeakPolarHBondContact O-CB 3.48Å; C287-L291 PolarHBondContact O-N 2.89Å; C287-V386 HydrophobicContact CB-CG1 4.34Å |
| 288 | K | 93.1 | Very high | 93.6 | Very high | 82 Ų | 82 | 48.3 Ų | 48.3 | 36% | 0.357 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59 | -40.7 | -176 | -170.1 | 163.5 | -174.6 | 168.3 | 0 | 112.4 | I286 A292 V386 F387 E390 | I286-K288 VanDerWaalsContact C-N 3.3Å; I286-K288 PolarHBondContact O-N 3.17Å; I286-K288 VanDerWaalsContact O-N 3.16Å; K288-A292 WeakPolarHBondContact O-CB 3.09Å; K288-A292 PolarHBondContact O-N 3.46Å; K288-V386 HydrophobicContact CB-CG1 4.45Å; K288-F387 HydrophobicContact CB-CE1 4.27Å; K288-F387 HydrophobicContact CB-CZ 4.37Å; K288-F387 HydrophobicContact CG-CD1 4.23Å; K288-F387 HydrophobicContact CG-CE1 3.72Å; K288-F387 HydrophobicContact CG-CZ 4.31Å; K288-E390 WeakPolarHBondContact CE-OE1 3.45Å; K288-E390 WeakPolarHBondContact CE-OE2 3.33Å; K288-E390 IonicContact NZ-OE1 2.88Å; K288-E390 PolarHBondContact NZ-OE1 3.42Å; K288-E390 IonicContact NZ-OE2 3.4Å; K288-E390 PolarHBondContact NZ-OE2 3.5Å |
| 289 | E | 92.9 | Very high | 93.6 | Very high | 159 Ų | 159 | 48.3 Ų | 48.3 | 74% | 0.743 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -68.2 | -41.8 | -178.4 | -60.2 | -174.6 | 175.3 | 0 | 0 | 112.1 | I286 C287 | I286-E289 HydrophobicContact CG1-CB 4.22Å; I286-E289 PolarHBondContact O-N 3.3Å; C287-E289 VanDerWaalsContact C-N 3.29Å; C287-E289 PolarHBondContact O-N 2.93Å |
| 290 | V | 94.2 | Very high | 93.8 | Very high | 26 Ų | 26 | 49.4 Ų | 49.4 | 16% | 0.158 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -84.4 | -32.4 | -174.8 | -61.5 | 0 | 0 | 0 | 0 | 112.6 | M252 I256 L281 I286 C287 H294 | M252-V290 HydrophobicContact CG-CB 3.85Å; M252-V290 HydrophobicContact CG-CG1 3.82Å; M252-V290 HydrophobicContact CG-CG2 4.24Å; I256-V290 HydrophobicContact CD1-CB 4.07Å; I256-V290 HydrophobicContact CD1-CG2 4.22Å; L281-V290 HydrophobicContact CD1-CG2 4.03Å; L281-V290 HydrophobicContact CD2-CG2 4.17Å; I286-V290 HydrophobicContact CD1-CG1 3.99Å; I286-V290 HydrophobicContact CG1-CG1 3.98Å; I286-V290 PolarHBondContact O-N 3.36Å; C287-V290 WeakPolarHBondContact O-CG2 3.32Å; C287-V290 PolarHBondContact O-N 3.19Å; V290-H294 PolarHBondContact O-ND1 3.36Å |
| 291 | L | 94.9 | Very high | 94 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -96.9 | -22.2 | -169.7 | -160.5 | 65.1 | 0 | 0 | 0 | 114 | I256 W278 L281 C287 S293 H294 L295 L298 L383 F387 | I256-L291 HydrophobicContact CD1-CD1 4.33Å; I256-L291 HydrophobicContact CG2-CD1 4.35Å; W278-L291 HydrophobicContact CE3-CD1 4.11Å; W278-L291 HydrophobicContact CZ3-CD1 3.75Å; L281-L291 HydrophobicContact CD2-CD1 4.12Å; L281-L291 HydrophobicContact CD2-CD2 4.41Å; C287-L291 WeakPolarHBondContact O-CB 3.48Å; C287-L291 PolarHBondContact O-N 2.89Å; L291-S293 PolarHBondContact O-N 3.07Å; L291-H294 HydrophobicContact CD1-CB 4.32Å; L291-H294 WeakPolarHBondContact O-CA 3.37Å; L291-H294 PolarHBondContact O-N 2.94Å; L291-L295 HydrophobicContact CD2-CD2 4.25Å; L291-L295 HydrophobicContact CG-CD2 4.18Å; L291-L295 PolarHBondContact O-N 2.94Å; L291-L295 VanDerWaalsContact O-N 3.15Å; L291-L298 HydrophobicContact CD1-CD2 3.99Å; L291-L298 HydrophobicContact CD2-CD2 3.78Å; L291-L298 HydrophobicContact CG-CD2 4.18Å; L291-L383 HydrophobicContact CD2-CD1 4.47Å; L291-L383 HydrophobicContact CD2-CD2 3.52Å; L291-F387 HydrophobicContact CB-CZ 4.18Å; L291-F387 HydrophobicContact CD2-CE2 4.3Å |
| 292 | A | 92.4 | Very high | 94.1 | Very high | 51 Ų | 51 | 49.6 Ų | 49.6 | 42% | 0.421 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -39 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | K288 H294 F387 | K288-A292 WeakPolarHBondContact O-CB 3.09Å; K288-A292 PolarHBondContact O-N 3.46Å; A292-H294 VanDerWaalsContact C-N 3.27Å; A292-H294 PolarHBondContact O-N 3.37Å; A292-F387 HydrophobicContact CB-CE1 4.29Å |
| 293 | S | 93.6 | Very high | 94.4 | Very high | 92 Ų | 92 | 49.8 Ų | 49.8 | 64% | 0.643 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -12.4 | 179.5 | 59.6 | 0 | 0 | 0 | 0 | 114.7 | L291 | L291-S293 PolarHBondContact O-N 3.07Š|
| 294 | H | 95.4 | Very high | 94.7 | Very high | 11 Ų | 11 | 48.5 Ų | 48.5 | 5% | 0.051 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | -9.7 | -176.4 | -56.6 | 91.9 | 0 | 0 | 0 | 113.2 | H253 I256 L260 V290 L291 A292 V296 Q297 L298 | H253-H294 AromaticContact CE1-CE1 3.99Å; H253-H294 AromaticContact CE1-NE2 3.31Å; H253-H294 PolarHBondContact CE1-NE2 3.39Å; H253-H294 VanDerWaalsContact CE1-NE2 3.31Å; H253-H294 AromaticContact ND1-CE1 3.38Å; H253-H294 PolarHBondContact ND1-CE1 3.05Å; H253-H294 AromaticContact ND1-NE2 3.07Å; H253-H294 PolarHBondContact ND1-NE2 3.05Å; I256-H294 HydrophobicContact CG2-CB 4.01Å; L260-H294 HydrophobicContact CD1-CB 4.37Å; V290-H294 PolarHBondContact O-ND1 3.36Å; L291-H294 HydrophobicContact CD1-CB 4.32Å; L291-H294 WeakPolarHBondContact O-CA 3.37Å; L291-H294 PolarHBondContact O-N 2.94Å; A292-H294 VanDerWaalsContact C-N 3.27Å; A292-H294 PolarHBondContact O-N 3.37Å; H294-V296 VanDerWaalsContact C-N 3.26Å; H294-V296 PolarHBondContact O-N 3.47Å; H294-Q297 PolarHBondContact O-N 2.94Å; H294-L298 PolarHBondContact O-N 2.86Å |
| 295 | L | 93.8 | Very high | 95 | Very high | 6 Ų | 6 | 47.5 Ų | 47.5 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -52.5 | -40.7 | -178.4 | -73.1 | -179.2 | 0 | 0 | 0 | 113.6 | L291 Q297 L298 I299 F387 L391 | L291-L295 HydrophobicContact CD2-CD2 4.25Å; L291-L295 HydrophobicContact CG-CD2 4.18Å; L291-L295 PolarHBondContact O-N 2.94Å; L291-L295 VanDerWaalsContact O-N 3.15Å; L295-Q297 PolarHBondContact O-N 2.94Å; L295-Q297 VanDerWaalsContact O-N 3.12Å; L295-L298 PolarHBondContact O-N 2.91Å; L295-I299 HydrophobicContact CD2-CD1 4.5Å; L295-I299 WeakPolarHBondContact O-CB 3.33Å; L295-I299 VanDerWaalsContact O-CG1 3.27Å; L295-I299 WeakPolarHBondContact O-CG1 3.47Å; L295-I299 PolarHBondContact O-N 2.98Å; L295-F387 HydrophobicContact CD1-CD1 3.65Å; L295-F387 HydrophobicContact CD1-CD2 4.45Å; L295-F387 HydrophobicContact CD1-CE1 3.57Å; L295-F387 HydrophobicContact CD1-CE2 4.4Å; L295-F387 HydrophobicContact CD1-CG 4.1Å; L295-F387 HydrophobicContact CD1-CZ 3.96Å; L295-F387 HydrophobicContact CD2-CD2 4.29Å; L295-F387 HydrophobicContact CD2-CE1 4.49Å; L295-F387 HydrophobicContact CD2-CE2 3.95Å; L295-F387 HydrophobicContact CD2-CZ 4.04Å; L295-F387 HydrophobicContact CG-CE1 4.32Å; L295-F387 HydrophobicContact CG-CZ 4.25Å; L295-L391 HydrophobicContact CD2-CD1 4.33Å |
| 296 | V | 94.8 | Very high | 95.3 | Very high | 94 Ų | 94 | 41.5 Ų | 41.5 | 57% | 0.57 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -57.2 | -31 | 179.2 | 179.2 | 0 | 0 | 0 | 0 | 112 | H294 P300 H394 | H294-V296 VanDerWaalsContact C-N 3.26Å; H294-V296 PolarHBondContact O-N 3.47Å; V296-P300 VanDerWaalsContact O-CD 3.31Å; V296-P300 WeakPolarHBondContact O-CD 3.42Å; V296-P300 WeakPolarHBondContact O-CG 3.11Å; V296-H394 VanDerWaalsContact CG2-CE1 3.43Å; V296-H394 WeakPolarHBondContact CG2-CE1 3.26Å |
| 297 | Q | 96 | Very high | 95.5 | Very high | 122 Ų | 122 | 42.8 Ų | 42.8 | 57% | 0.57 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -90.8 | -41.9 | 177.8 | -62.5 | 178.6 | 40.7 | 0 | 0 | 111.8 | H294 L295 P300 I301 | H294-Q297 PolarHBondContact O-N 2.94Å; L295-Q297 PolarHBondContact O-N 2.94Å; L295-Q297 VanDerWaalsContact O-N 3.12Å; Q297-P300 WeakPolarHBondContact O-CD 3.42Å; Q297-I301 VanDerWaalsContact O-CD1 3.27Å; Q297-I301 WeakPolarHBondContact O-CD1 3.29Å; Q297-I301 WeakPolarHBondContact O-CG1 3.27Å |
| 298 | L | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.2 | -46.4 | -176.1 | 179.4 | 58.4 | 0 | 0 | 0 | 112.6 | L260 W278 L291 H294 L295 I301 L302 L383 | L260-L298 HydrophobicContact CD2-CB 3.86Å; L260-L298 HydrophobicContact CD2-CD1 3.77Å; L260-L298 HydrophobicContact CD2-CG 4.41Å; W278-L298 HydrophobicContact CD2-CD1 3.6Å; W278-L298 HydrophobicContact CD2-CD2 3.94Å; W278-L298 HydrophobicContact CD2-CG 4.45Å; W278-L298 VanDerWaalsContact CE2-CD1 3.44Å; W278-L298 HydrophobicContact CE3-CD1 4.13Å; W278-L298 HydrophobicContact CE3-CD2 3.76Å; W278-L298 HydrophobicContact CG-CD1 3.94Å; W278-L298 HydrophobicContact CG-CD2 4.36Å; W278-L298 HydrophobicContact CH2-CD1 4.41Å; W278-L298 HydrophobicContact CZ2-CD1 3.88Å; W278-L298 HydrophobicContact CZ3-CD2 4.27Å; L291-L298 HydrophobicContact CD1-CD2 3.99Å; L291-L298 HydrophobicContact CD2-CD2 3.78Å; L291-L298 HydrophobicContact CG-CD2 4.18Å; H294-L298 PolarHBondContact O-N 2.86Å; L295-L298 PolarHBondContact O-N 2.91Å; L298-I301 WeakPolarHBondContact O-CA 3.47Å; L298-I301 WeakPolarHBondContact O-CB 3.33Å; L298-I301 PolarHBondContact O-N 3.49Å; L298-L302 HydrophobicContact CD1-CD1 4.05Å; L298-L302 HydrophobicContact CD1-CD2 4.09Å; L298-L302 HydrophobicContact CD1-CG 3.79Å; L298-L302 HydrophobicContact CD2-CD1 4.26Å; L298-L302 HydrophobicContact CG-CD1 3.88Å; L298-L302 HydrophobicContact CG-CG 4.05Å; L298-L302 PolarHBondContact O-N 2.85Å; L298-L383 HydrophobicContact CD2-CD1 3.94Å |
| 299 | I | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.2 | -46.7 | -171.5 | -63.6 | -61.4 | 0 | 0 | 0 | 112.5 | L295 I301 L302 V303 L380 L391 H394 L395 L398 | L295-I299 HydrophobicContact CD2-CD1 4.5Å; L295-I299 WeakPolarHBondContact O-CB 3.33Å; L295-I299 VanDerWaalsContact O-CG1 3.27Å; L295-I299 WeakPolarHBondContact O-CG1 3.47Å; L295-I299 PolarHBondContact O-N 2.98Å; I299-I301 PolarHBondContact O-N 2.9Å; I299-L302 PolarHBondContact O-N 3.11Å; I299-V303 HydrophobicContact CG2-CG2 4.26Å; I299-V303 WeakPolarHBondContact O-CB 3.3Å; I299-V303 WeakPolarHBondContact O-CG2 3.4Å; I299-V303 PolarHBondContact O-N 3.08Å; I299-L380 HydrophobicContact CD1-CD1 3.7Å; I299-L391 HydrophobicContact CD1-CD1 3.51Å; I299-L391 HydrophobicContact CD1-CG 4.28Å; I299-L391 HydrophobicContact CG1-CD1 4Å; I299-H394 HydrophobicContact CG1-CB 4.47Å; I299-H394 HydrophobicContact CG2-CB 4.46Å; I299-L395 HydrophobicContact CG2-CD2 3.36Å; I299-L395 HydrophobicContact CG2-CG 3.8Å; I299-L398 HydrophobicContact CG2-CD1 4.13Å |
| 300 | P | 97.5 | Very high | 95 | Very high | 57 Ų | 57 | 41.8 Ų | 41.8 | 37% | 0.37 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.2 | -32.5 | 172.3 | -25.4 | 33.4 | 0 | 0 | 0 | 114.6 | V296 Q297 N304 L398 | V296-P300 VanDerWaalsContact O-CD 3.31Å; V296-P300 WeakPolarHBondContact O-CD 3.42Å; V296-P300 WeakPolarHBondContact O-CG 3.11Å; Q297-P300 WeakPolarHBondContact O-CD 3.42Å; P300-N304 WeakPolarHBondContact O-CB 3.22Å; P300-N304 PolarHBondContact O-N 2.82Å; P300-L398 HydrophobicContact CB-CD1 4.4Å; P300-L398 HydrophobicContact CG-CD1 4.18Å |
| 301 | I | 98 | Very high | 94.5 | Very high | 19 Ų | 19 | 45.4 Ų | 45.4 | 10% | 0.097 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.7 | -51.2 | 179.9 | -64.9 | 164.1 | 0 | 0 | 0 | 109.9 | L260 T263 Q264 Q297 L298 I299 V303 N304 G305 | L260-I301 HydrophobicContact CB-CD1 4.49Å; L260-I301 HydrophobicContact CD2-CD1 3.74Å; T263-I301 HydrophobicContact CG2-CG2 3.75Å; Q264-I301 HydrophobicContact CG-CB 4.44Å; Q264-I301 HydrophobicContact CG-CD1 4.17Å; Q264-I301 HydrophobicContact CG-CG1 3.99Å; Q264-I301 HydrophobicContact CG-CG2 3.64Å; Q297-I301 VanDerWaalsContact O-CD1 3.27Å; Q297-I301 WeakPolarHBondContact O-CD1 3.29Å; Q297-I301 WeakPolarHBondContact O-CG1 3.27Å; L298-I301 WeakPolarHBondContact O-CA 3.47Å; L298-I301 WeakPolarHBondContact O-CB 3.33Å; L298-I301 PolarHBondContact O-N 3.49Å; I299-I301 PolarHBondContact O-N 2.9Å; I301-V303 PolarHBondContact O-N 2.95Å; I301-N304 PolarHBondContact O-N 2.96Å; I301-N304 VanDerWaalsContact O-N 3.14Å; I301-G305 PolarHBondContact O-N 3.03Å |
| 302 | L | 98 | Very high | 94 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.4 | -48.3 | 177.5 | -63.9 | -179 | 0 | 0 | 0 | 110.9 | W278 L298 I299 N304 G305 M306 S376 A379 L383 | W278-L302 HydrophobicContact CG-CD2 4.36Å; L298-L302 HydrophobicContact CD1-CD1 4.05Å; L298-L302 HydrophobicContact CD1-CD2 4.09Å; L298-L302 HydrophobicContact CD1-CG 3.79Å; L298-L302 HydrophobicContact CD2-CD1 4.26Å; L298-L302 HydrophobicContact CG-CD1 3.88Å; L298-L302 HydrophobicContact CG-CG 4.05Å; L298-L302 PolarHBondContact O-N 2.85Å; I299-L302 PolarHBondContact O-N 3.11Å; L302-N304 PolarHBondContact O-N 2.98Å; L302-G305 WeakPolarHBondContact O-CA 3.13Å; L302-G305 PolarHBondContact O-N 3.08Å; L302-M306 VanDerWaalsContact O-CG 3.28Å; L302-M306 WeakPolarHBondContact O-CG 3.43Å; L302-M306 PolarHBondContact O-N 3.13Å; L302-S376 WeakPolarHBondContact O-CB 3.42Å; L302-A379 HydrophobicContact CD1-CB 4.36Å; L302-A379 HydrophobicContact CD2-CB 4.4Å; L302-L383 HydrophobicContact CD1-CD1 3.71Å |
| 303 | V | 97.6 | Very high | 93.7 | Very high | 8 Ų | 8 | 45.5 Ų | 45.5 | 5% | 0.048 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.2 | -34 | 177.5 | 168.2 | 0 | 0 | 0 | 0 | 112.1 | I299 I301 L380 L395 L398 L402 V417 | I299-V303 HydrophobicContact CG2-CG2 4.26Å; I299-V303 WeakPolarHBondContact O-CB 3.3Å; I299-V303 WeakPolarHBondContact O-CG2 3.4Å; I299-V303 PolarHBondContact O-N 3.08Å; I301-V303 PolarHBondContact O-N 2.95Å; V303-L380 HydrophobicContact CG2-CD2 4.26Å; V303-L395 HydrophobicContact CG2-CD2 3.91Å; V303-L398 HydrophobicContact CB-CD1 4.43Å; V303-L398 HydrophobicContact CG1-CD1 4.46Å; V303-L398 HydrophobicContact CG2-CD1 4.21Å; V303-L402 HydrophobicContact CG1-CD1 3.51Å; V303-V417 HydrophobicContact CB-CG2 4.42Å; V303-V417 HydrophobicContact CG1-CG2 4.11Å; V303-V417 HydrophobicContact CG2-CG1 4.34Å; V303-V417 HydrophobicContact CG2-CG2 3.99Å |
| 304 | N | 96.6 | Very high | 93.2 | Very high | 94 Ų | 94 | 47.3 Ų | 47.3 | 50% | 0.503 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -75 | -38.3 | 174.5 | -175.1 | 73.3 | 0 | 0 | 0 | 112.7 | P300 I301 L302 M306 K307 | P300-N304 WeakPolarHBondContact O-CB 3.22Å; P300-N304 PolarHBondContact O-N 2.82Å; I301-N304 PolarHBondContact O-N 2.96Å; I301-N304 VanDerWaalsContact O-N 3.14Å; L302-N304 PolarHBondContact O-N 2.98Å; N304-M306 PolarHBondContact O-N 3.3Å; N304-K307 PolarHBondContact O-N 2.91Å; N304-K307 PolarHBondContact OD1-NZ 3.43Å |
| 305 | G | 96.1 | Very high | 92.5 | Very high | 12 Ų | 12 | 50.8 Ų | 50.8 | 12% | 0.124 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63 | -23.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I301 L302 K307 R373 | I301-G305 PolarHBondContact O-N 3.03Å; L302-G305 WeakPolarHBondContact O-CA 3.13Å; L302-G305 PolarHBondContact O-N 3.08Å; G305-K307 PolarHBondContact O-N 3.18Å; G305-R373 VanDerWaalsContact O-CA 3.24Å; G305-R373 WeakPolarHBondContact O-CA 3.03Å |
| 306 | M | 96.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -2.1 | 176.7 | -69.2 | 168.5 | 76 | 0 | 0 | 114.8 | L302 N304 R373 A377 L380 L416 V417 A420 | L302-M306 VanDerWaalsContact O-CG 3.28Å; L302-M306 WeakPolarHBondContact O-CG 3.43Å; L302-M306 PolarHBondContact O-N 3.13Å; N304-M306 PolarHBondContact O-N 3.3Å; M306-R373 PolarHBondContact O-NH1 2.92Å; M306-A377 HydrophobicContact CE-CB 3.78Å; M306-A377 HydrophobicContact CG-CB 4.2Å; M306-A377 HydrophobicContact SD-CB 4.49Å; M306-L380 HydrophobicContact CE-CD2 4.21Å; M306-L380 HydrophobicContact SD-CB 4.4Å; M306-L380 HydrophobicContact SD-CD2 3.68Å; M306-L416 HydrophobicContact CB-CD2 4.12Å; M306-L416 HydrophobicContact CE-CB 4.32Å; M306-L416 HydrophobicContact CE-CD2 3.76Å; M306-L416 HydrophobicContact CE-CG 3.53Å; M306-L416 HydrophobicContact CG-CD2 4.5Å; M306-V417 HydrophobicContact CE-CB 4.21Å; M306-V417 HydrophobicContact CE-CG2 3.51Å; M306-V417 HydrophobicContact SD-CG2 3.58Å; M306-V417 VanDerWaalsContact SD-CG2 3.58Å; M306-A420 HydrophobicContact CE-CB 4.2Å |
| 307 | K | 95.6 | Very high | 90.9 | Very high | 65 Ų | 65 | 53.1 Ų | 53.1 | 28% | 0.283 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -77.5 | 146.1 | 173.8 | -68.4 | 170 | -172.6 | 163 | 0 | 110.4 | N304 G305 S309 V409 | N304-K307 PolarHBondContact O-N 2.91Å; N304-K307 PolarHBondContact OD1-NZ 3.43Å; G305-K307 PolarHBondContact O-N 3.18Å; K307-S309 PolarHBondContact O-N 3.11Å; K307-V409 HydrophobicContact CB-CG1 4.24Å |
| 308 | Y | 91.7 | Very high | 89.6 | Confident | 30 Ų | 30 | 47.6 Ų | 47.6 | 12% | 0.118 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -60 | 136 | 169.8 | -78.2 | -65.4 | 0 | 0 | 0 | 111.2 | D312 I313 L316 R373 W408 E412 L450 | Y308-D312 HydrophobicContact CD1-CB 3.77Å; Y308-I313 HydrophobicContact CG-CG1 4.49Å; Y308-L316 HydrophobicContact CD1-CD1 4.12Å; Y308-L316 HydrophobicContact CE1-CD1 3.43Å; Y308-L316 VanDerWaalsContact CE1-CD1 3.43Å; Y308-R373 VanDerWaalsContact CD2-NH1 3.34Å; Y308-R373 VanDerWaalsContact CZ-CZ 3.43Å; Y308-R373 VanDerWaalsContact CZ-NH2 3.33Å; Y308-R373 PolarHBondContact OH-NH2 3.21Å; Y308-W408 HydrophobicContact CD2-CZ3 4.3Å; Y308-E412 HydrophobicContact CE2-CG 4.22Å; Y308-L450 HydrophobicContact CE2-CD1 4.38Å |
| 309 | S | 90.1 | Very high | 88.7 | Confident | 23 Ų | 23 | 53.8 Ų | 53.8 | 16% | 0.161 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 160.2 | 167.4 | 73.7 | 0 | 0 | 0 | 0 | 110.2 | K307 I311 D312 I313 | K307-S309 PolarHBondContact O-N 3.11Å; S309-I311 PolarHBondContact O-N 3.47Å; S309-I311 PolarHBondContact OG-N 3.42Å; S309-D312 WeakPolarHBondContact CB-OD2 3.3Å; S309-D312 PolarHBondContact N-OD2 3.4Å; S309-D312 PolarHBondContact O-N 3.08Å; S309-D312 PolarHBondContact OG-N 3.16Å; S309-D312 PolarHBondContact OG-OD2 3.08Å; S309-I313 WeakPolarHBondContact O-CG1 3.26Å; S309-I313 PolarHBondContact O-N 3.03Å |
| 310 | E | 87.4 | Confident | 88.1 | Confident | 167 Ų | 167 | 56.2 Ų | 56.2 | 78% | 0.78 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -60.5 | -33.7 | 174.5 | -67 | -174.4 | 172.3 | 0 | 0 | 111.7 | I313 I314 | E310-I313 PolarHBondContact O-N 3.26Å; E310-I314 WeakPolarHBondContact O-CD1 3.16Å; E310-I314 VanDerWaalsContact O-CG1 3.27Å; E310-I314 WeakPolarHBondContact O-CG1 3.39Å; E310-I314 PolarHBondContact O-N 3.24Å; E310-I314 VanDerWaalsContact O-N 3.17Å |
| 311 | I | 84.8 | Confident | 87.7 | Confident | 102 Ų | 102 | 55.7 Ų | 55.7 | 52% | 0.523 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.7 | -46 | 177.9 | -63.4 | 169.1 | 0 | 0 | 0 | 109.9 | S309 I313 I314 L315 | S309-I311 PolarHBondContact O-N 3.47Å; S309-I311 PolarHBondContact OG-N 3.42Å; I311-I313 VanDerWaalsContact C-N 3.34Å; I311-I313 PolarHBondContact O-N 2.99Å; I311-I314 WeakPolarHBondContact O-CB 3.45Å; I311-I314 PolarHBondContact O-N 3.48Å; I311-I314 VanDerWaalsContact O-N 3.12Å; I311-L315 HydrophobicContact CG2-CD1 3.76Å; I311-L315 HydrophobicContact CG2-CG 4.14Å; I311-L315 WeakPolarHBondContact O-CG 3.39Å; I311-L315 PolarHBondContact O-N 3.27Å |
| 312 | D | 84.3 | Confident | 87.3 | Confident | 18 Ų | 18 | 62.6 Ų | 62.6 | 10% | 0.096 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 177 | -60.2 | -38.5 | 0 | 0 | 0 | 111 | Y308 S309 I314 L315 L316 | Y308-D312 HydrophobicContact CD1-CB 3.77Å; S309-D312 WeakPolarHBondContact CB-OD2 3.3Å; S309-D312 PolarHBondContact N-OD2 3.4Å; S309-D312 PolarHBondContact O-N 3.08Å; S309-D312 PolarHBondContact OG-N 3.16Å; S309-D312 PolarHBondContact OG-OD2 3.08Å; D312-I314 PolarHBondContact O-N 3.21Å; D312-L315 PolarHBondContact O-N 2.95Å; D312-L316 VanDerWaalsContact O-CB 3.26Å; D312-L316 WeakPolarHBondContact O-CB 3.26Å; D312-L316 WeakPolarHBondContact O-CG 3.31Å; D312-L316 PolarHBondContact O-N 3.06Å |
| 313 | I | 86.5 | Confident | 87 | Confident | 35 Ų | 35 | 64 Ų | 64 | 18% | 0.179 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.9 | -38.1 | 177.6 | -64.5 | 170.2 | 0 | 0 | 0 | 110.8 | Y308 S309 E310 I311 K317 G318 W408 V409 | Y308-I313 HydrophobicContact CG-CG1 4.49Å; S309-I313 WeakPolarHBondContact O-CG1 3.26Å; S309-I313 PolarHBondContact O-N 3.03Å; E310-I313 PolarHBondContact O-N 3.26Å; I311-I313 VanDerWaalsContact C-N 3.34Å; I311-I313 PolarHBondContact O-N 2.99Å; I313-K317 PolarHBondContact O-N 3.04Å; I313-G318 PolarHBondContact O-N 2.89Å; I313-W408 HydrophobicContact CD1-CH2 4.1Å; I313-W408 HydrophobicContact CD1-CZ2 3.97Å; I313-W408 HydrophobicContact CG1-CH2 4Å; I313-W408 HydrophobicContact CG1-CZ2 4.21Å; I313-W408 HydrophobicContact CG2-CH2 4.46Å; I313-W408 HydrophobicContact CG2-CZ2 4.14Å; I313-V409 HydrophobicContact CD1-CG2 3.9Å |
| 314 | I | 83.5 | Confident | 86.6 | Confident | 131 Ų | 131 | 66.8 Ų | 66.8 | 67% | 0.672 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -72.1 | -47.7 | 177.5 | -66.1 | 163.6 | 0 | 0 | 0 | 111.2 | E310 I311 D312 L316 K317 | E310-I314 WeakPolarHBondContact O-CD1 3.16Å; E310-I314 VanDerWaalsContact O-CG1 3.27Å; E310-I314 WeakPolarHBondContact O-CG1 3.39Å; E310-I314 PolarHBondContact O-N 3.24Å; E310-I314 VanDerWaalsContact O-N 3.17Å; I311-I314 WeakPolarHBondContact O-CB 3.45Å; I311-I314 PolarHBondContact O-N 3.48Å; I311-I314 VanDerWaalsContact O-N 3.12Å; D312-I314 PolarHBondContact O-N 3.21Å; I314-L316 PolarHBondContact O-N 2.95Å; I314-K317 PolarHBondContact O-N 3.36Å |
| 315 | L | 79.6 | Confident | 86.3 | Confident | 83 Ų | 83 | 66.2 Ų | 66.2 | 44% | 0.435 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | -178.3 | -72 | 176.1 | 0 | 0 | 0 | 111.8 | I311 D312 K317 | I311-L315 HydrophobicContact CG2-CD1 3.76Å; I311-L315 HydrophobicContact CG2-CG 4.14Å; I311-L315 WeakPolarHBondContact O-CG 3.39Å; I311-L315 PolarHBondContact O-N 3.27Å; D312-L315 PolarHBondContact O-N 2.95Å; L315-K317 PolarHBondContact O-N 3.14Å; L315-K317 VanDerWaalsContact O-N 3.16Å |
| 316 | L | 77.4 | Confident | 86 | Confident | 19 Ų | 19 | 69.5 Ų | 69.5 | 10% | 0.099 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | 1.8 | 176.4 | -59.5 | -174.7 | 0 | 0 | 0 | 113.3 | Y308 D312 I314 G318 D365 L367 L450 R492 | Y308-L316 HydrophobicContact CD1-CD1 4.12Å; Y308-L316 HydrophobicContact CE1-CD1 3.43Å; Y308-L316 VanDerWaalsContact CE1-CD1 3.43Å; D312-L316 VanDerWaalsContact O-CB 3.26Å; D312-L316 WeakPolarHBondContact O-CB 3.26Å; D312-L316 WeakPolarHBondContact O-CG 3.31Å; D312-L316 PolarHBondContact O-N 3.06Å; I314-L316 PolarHBondContact O-N 2.95Å; L316-G318 PolarHBondContact O-N 2.95Å; L316-D365 VanDerWaalsContact CD2-OD2 3.22Å; L316-D365 WeakPolarHBondContact CD2-OD2 3.38Å; L316-L367 HydrophobicContact CD2-CB 4.11Å; L316-L450 HydrophobicContact CD1-CD2 4.37Å; L316-R492 VanDerWaalsContact CD2-NH1 3.28Å |
| 317 | K | 78.3 | Confident | 85.6 | Confident | 130 Ų | 130 | 74 Ų | 74 | 57% | 0.565 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 47.5 | -175.1 | -56.9 | 173 | -176.6 | 161.8 | 0 | 110.9 | I313 I314 L315 D319 V320 | I313-K317 PolarHBondContact O-N 3.04Å; I314-K317 PolarHBondContact O-N 3.36Å; L315-K317 PolarHBondContact O-N 3.14Å; L315-K317 VanDerWaalsContact O-N 3.16Å; K317-D319 PolarHBondContact O-N 3.44Å; K317-V320 HydrophobicContact CB-CB 4.1Å; K317-V320 HydrophobicContact CB-CG2 3.71Å; K317-V320 HydrophobicContact CD-CG2 4.43Å; K317-V320 WeakPolarHBondContact O-CB 3.33Å; K317-V320 PolarHBondContact O-N 2.88Å |
| 318 | G | 68.9 | Low | 85.2 | Confident | 6 Ų | 6 | 72.4 Ų | 72.4 | 6% | 0.062 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -0.9 | -173 | 0 | 0 | 0 | 0 | 0 | 116.6 | I313 L316 K448 | I313-G318 PolarHBondContact O-N 2.89Å; L316-G318 PolarHBondContact O-N 2.95Å; G318-K448 PolarHBondContact O-NZ 3Å; G318-K448 VanDerWaalsContact O-NZ 3.14Å |
| 319 | D | 77.6 | Confident | 84.8 | Confident | 131 Ų | 131 | 73.4 Ų | 73.4 | 70% | 0.701 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -4.7 | 169.3 | -73.7 | -33.6 | 0 | 0 | 0 | 114.1 | K317 E321 K448 | K317-D319 PolarHBondContact O-N 3.44Å; D319-E321 PolarHBondContact O-N 3.35Å; D319-K448 IonicContact OD1-NZ 3.87Å; D319-K448 PolarHBondContact OD1-NZ 3.17Å |
| 320 | V | 85.3 | Confident | 84.1 | Confident | 51 Ų | 51 | 80.8 Ų | 80.8 | 31% | 0.309 | 43% | 0.429 | S | S | . | . | trans | -86.8 | 104.8 | 175.6 | 177.8 | 0 | 0 | 0 | 0 | 109.1 | K317 D323 N490 | K317-V320 HydrophobicContact CB-CB 4.1Å; K317-V320 HydrophobicContact CB-CG2 3.71Å; K317-V320 HydrophobicContact CD-CG2 4.43Å; K317-V320 WeakPolarHBondContact O-CB 3.33Å; K317-V320 PolarHBondContact O-N 2.88Å; V320-D323 HydrophobicContact CG1-CB 3.8Å; V320-N490 PolarHBondContact O-ND2 3.4Å | ||
| 321 | E | 89.2 | Confident | 83.3 | Confident | 46 Ų | 46 | 81.2 Ų | 81.2 | 22% | 0.215 | 43% | 0.431 | C | S | . | . | trans | -91.2 | -16.2 | 177 | -64.5 | -60.7 | 148.7 | 0 | 0 | 113.3 | D319 K448 A449 R452 N490 | D319-E321 PolarHBondContact O-N 3.35Å; E321-K448 WeakPolarHBondContact OE1-CA 3.34Å; E321-K448 VanDerWaalsContact OE1-CD 3.26Å; E321-K448 WeakPolarHBondContact OE1-CD 3.27Å; E321-K448 IonicContact OE1-NZ 3.75Å; E321-A449 PolarHBondContact OE1-N 3.33Å; E321-A449 WeakPolarHBondContact OE2-CB 3.32Å; E321-A449 PolarHBondContact OE2-N 3.12Å; E321-R452 IonicContact OE2-CZ 3.96Å; E321-R452 IonicContact OE2-NH1 3.69Å; E321-R452 PolarHBondContact OE2-NH1 3.15Å; E321-R452 IonicContact OE2-NH2 2.93Å; E321-R452 PolarHBondContact OE2-NH2 3.41Å; E321-N490 WeakPolarHBondContact O-CB 3.29Å | ||
| 322 | E | 88.8 | Confident | 82.7 | Confident | 164 Ų | 164 | 78.9 Ų | 78.9 | 77% | 0.766 | 42% | 0.42 | S | S | * | . | trans | -139.5 | 115.7 | -178.9 | -66.9 | -179.9 | -171.4 | 0 | 0 | 110.6 | G489 | E322-G489 CarbonylContact C-O 3.5Å; E322-G489 VanDerWaalsContact CA-O 3.3Å; E322-G489 WeakPolarHBondContact CA-O 3.47Å | ||
| 323 | D | 91.2 | Very high | 82.2 | Confident | 30 Ų | 30 | 80.2 Ų | 80.2 | 16% | 0.16 | 43% | 0.426 | C | S | . | . | trans | -145.8 | 12.2 | 176.2 | 71.2 | -26.8 | 0 | 0 | 0 | 113.8 | V320 A325 V326 G489 N490 K491 | V320-D323 HydrophobicContact CG1-CB 3.8Å; D323-A325 PolarHBondContact O-N 3.47Å; D323-V326 HydrophobicContact CB-CB 4.5Å; D323-V326 HydrophobicContact CB-CG2 4.2Å; D323-V326 WeakPolarHBondContact O-CB 3.44Å; D323-V326 PolarHBondContact O-N 2.88Å; D323-G489 PolarHBondContact N-O 3.38Å; D323-N490 VanDerWaalsContact OD1-CA 3.26Å; D323-N490 WeakPolarHBondContact OD1-CA 3.12Å; D323-K491 PolarHBondContact OD1-N 3.36Å; D323-K491 WeakPolarHBondContact OD2-CE 3.29Å | ||
| 324 | E | 89.6 | Confident | 81.3 | Confident | 66 Ų | 66 | 82.3 Ų | 82.3 | 31% | 0.308 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -29.7 | 179.2 | 64 | 179.2 | -152 | 0 | 0 | 114.9 | G489 K529 Q531 | E324-G489 WeakPolarHBondContact CB-O 3.37Å; E324-G489 PolarHBondContact N-O 3Å; E324-G489 WeakPolarHBondContact OE2-CA 3.49Å; E324-K529 IonicContact OE1-NZ 2.83Å; E324-K529 WeakPolarHBondContact OE2-CE 3.08Å; E324-K529 IonicContact OE2-NZ 2.84Å; E324-K529 PolarHBondContact OE2-NZ 3.28Å; E324-Q531 WeakPolarHBondContact O-CG 3.29Å; E324-Q531 PolarHBondContact O-NE2 3.01Å |
| 325 | A | 90.3 | Very high | 80.5 | Confident | 82 Ų | 82 | 80.8 Ų | 80.8 | 68% | 0.678 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -2.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | D323 P327 | D323-A325 PolarHBondContact O-N 3.47Å; A325-P327 WeakPolarHBondContact O-CD 3.41Å |
| 326 | V | 89.8 | Confident | 79.9 | Confident | 80 Ų | 80 | 79.7 Ų | 79.7 | 49% | 0.485 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -90.4 | 114.8 | -178.6 | -177.1 | 0 | 0 | 0 | 0 | 108.9 | D323 K491 | D323-V326 HydrophobicContact CB-CB 4.5Å; D323-V326 HydrophobicContact CB-CG2 4.2Å; D323-V326 WeakPolarHBondContact O-CB 3.44Å; D323-V326 PolarHBondContact O-N 2.88Å; V326-K491 PolarHBondContact O-NZ 3.04Å |
| 327 | P | 88.8 | Confident | 79.8 | Confident | 95 Ų | 95 | 85.3 Ų | 85.3 | 62% | 0.617 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 146.5 | 177.8 | -23.7 | 34.1 | 0 | 0 | 0 | 112 | A325 | A325-P327 WeakPolarHBondContact O-CD 3.41Š|
| 328 | D | 86.2 | Confident | 79.5 | Confident | 31 Ų | 31 | 79.7 Ų | 79.7 | 17% | 0.166 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -70 | 144.8 | 175.1 | -59.8 | -46.2 | 0 | 0 | 0 | 111.1 | I333 K491 Q531 H532 K533 | D328-I333 HydrophobicContact CB-CD1 4.49Å; D328-K491 IonicContact OD1-NZ 3.64Å; D328-K491 PolarHBondContact OD1-NZ 3.31Å; D328-Q531 WeakPolarHBondContact OD2-CB 3.46Å; D328-H532 PolarHBondContact OD2-N 3.19Å; D328-K533 PolarHBondContact OD2-N 3.49Å |
| 329 | S | 83.2 | Confident | 79.5 | Confident | 51 Ų | 51 | 84.8 Ų | 84.8 | 36% | 0.357 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 143.5 | 169.2 | -179.9 | 0 | 0 | 0 | 0 | 109.4 | Q331 D332 | S329-Q331 PolarHBondContact O-N 3.34Å; S329-Q331 VanDerWaalsContact O-N 3.09Å; S329-Q331 PolarHBondContact OG-N 3.1Å; S329-D332 VanDerWaalsContact CB-OD2 3.28Å; S329-D332 WeakPolarHBondContact CB-OD2 3.12Å; S329-D332 PolarHBondContact O-N 3.47Å |
| 330 | E | 75.3 | Confident | 78.6 | Confident | 179 Ų | 179 | 79.3 Ų | 79.3 | 84% | 0.836 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -56.4 | -25.3 | 170.5 | -69.3 | 179.7 | -178 | 0 | 0 | 112.3 | D332 | E330-D332 VanDerWaalsContact C-N 3.34Š|
| 331 | Q | 71.6 | Confident | 78.1 | Confident | 176 Ų | 176 | 80.4 Ų | 80.4 | 82% | 0.822 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -77.2 | -20 | 177.5 | -61.7 | 176.4 | 0.6 | 0 | 0 | 113.3 | S329 I333 | S329-Q331 PolarHBondContact O-N 3.34Å; S329-Q331 VanDerWaalsContact O-N 3.09Å; S329-Q331 PolarHBondContact OG-N 3.1Å; Q331-I333 VanDerWaalsContact C-N 3.33Å |
| 332 | D | 71.3 | Confident | 77.2 | Confident | 53 Ų | 53 | 79.6 Ų | 79.6 | 28% | 0.283 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -88.4 | -8 | -179.4 | -57.2 | -20.9 | 0 | 0 | 0 | 111.5 | S329 E330 | S329-D332 VanDerWaalsContact CB-OD2 3.28Å; S329-D332 WeakPolarHBondContact CB-OD2 3.12Å; S329-D332 PolarHBondContact O-N 3.47Å; E330-D332 VanDerWaalsContact C-N 3.34Å |
| 333 | I | 73.8 | Confident | 75.9 | Confident | 45 Ų | 45 | 72.6 Ų | 72.6 | 23% | 0.231 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -95.6 | 107.8 | -177.8 | -60.4 | 160.2 | 0 | 0 | 0 | 108.3 | D328 Q331 H532 | D328-I333 HydrophobicContact CB-CD1 4.49Å; Q331-I333 VanDerWaalsContact C-N 3.33Å; I333-H532 HydrophobicContact CD1-CB 4.48Å; I333-H532 WeakPolarHBondContact CD1-CD2 3.3Å; I333-H532 WeakPolarHBondContact CD1-NE2 3.44Å |
| 334 | K | 67.1 | Low | 74.5 | Confident | 79 Ų | 79 | 72.6 Ų | 72.6 | 34% | 0.343 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 145.4 | 178.9 | -70.4 | -175.6 | 176.8 | -177 | 0 | 111.3 | R336 D363 | K334-R336 PolarHBondContact O-N 3.43Å; K334-R336 VanDerWaalsContact O-N 3.14Å; K334-D363 VanDerWaalsContact NZ-C 3.3Å; K334-D363 PolarHBondContact NZ-O 2.69Å |
| 335 | P | 67 | Low | 72.8 | Confident | 99 Ų | 99 | 69.9 Ų | 69.9 | 64% | 0.643 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 117.6 | 166.5 | -19.1 | 31.5 | 0 | 0 | 0 | 109.8 | F337 | P335-F337 HydrophobicContact CB-CE2 4.16Å; P335-F337 HydrophobicContact CB-CZ 4.29Å |
| 336 | R | 67.9 | Low | 70.8 | Confident | 60 Ų | 60 | 68.2 Ų | 68.2 | 23% | 0.226 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -96.1 | 145.9 | 169.5 | -74.8 | -170.8 | 168.9 | -162.1 | -5.1 | 110.3 | K334 D540 F581 | K334-R336 PolarHBondContact O-N 3.43Å; K334-R336 VanDerWaalsContact O-N 3.14Å; R336-D540 IonicContact CZ-OD2 2.97Å; R336-D540 IonicContact NH1-OD2 2.75Å; R336-D540 PolarHBondContact NH1-OD2 3.18Å; R336-D540 IonicContact NH2-OD2 3.32Å; R336-F581 WeakPolarHBondContact O-CE2 3.3Å |
| 337 | F | 74.4 | Confident | 68.9 | Low | 137 Ų | 137 | 65.5 Ų | 65.5 | 60% | 0.601 | 33% | 0.333 | S | S | * | . | trans | -124.7 | 144.4 | 176.1 | -59.5 | -83.3 | 0 | 0 | 0 | 108.7 | P335 D636 | P335-F337 HydrophobicContact CB-CE2 4.16Å; P335-F337 HydrophobicContact CB-CZ 4.29Å; F337-D636 WeakPolarHBondContact CA-OD2 3.41Å; F337-D636 WeakPolarHBondContact CB-OD2 3.45Å; F337-D636 WeakPolarHBondContact CD1-OD2 3.46Å | ||
| 338 | H | 72.9 | Confident | 66.5 | Low | 13 Ų | 13 | 65.7 Ų | 65.7 | 6% | 0.06 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -79.8 | 133.4 | -178.5 | 177.6 | 82.9 | 0 | 0 | 0 | 110.8 | F581 E585 D636 I639 V640 D643 | H338-F581 HydrophobicContact CB-CB 4.36Å; H338-F581 HydrophobicContact CB-CG 4.31Å; H338-E585 VanDerWaalsContact CE1-CG 3.49Å; H338-E585 WeakPolarHBondContact CE1-CG 3.31Å; H338-E585 IonicContact CE1-OE1 3.53Å; H338-E585 PolarHBondContact CE1-OE1 3.47Å; H338-E585 IonicContact CG-OE1 2.99Å; H338-E585 IonicContact ND1-OE1 2.83Å; H338-E585 PolarHBondContact ND1-OE1 2.66Å; H338-D636 HydrophobicContact CB-CB 4Å; H338-D636 PolarHBondContact N-OD2 3.09Å; H338-I639 WeakPolarHBondContact CD2-CG2 3.45Å; H338-V640 HydrophobicContact CB-CB 4.4Å; H338-V640 WeakPolarHBondContact ND1-CB 3.43Å; H338-V640 VanDerWaalsContact ND1-CG2 3.32Å; H338-V640 WeakPolarHBondContact ND1-CG2 3.4Å; H338-D643 IonicContact CD2-OD2 3.63Å; H338-D643 IonicContact CE1-OD2 3.57Å; H338-D643 IonicContact NE2-OD2 3.67Å; H338-D643 PolarHBondContact NE2-OD2 3.05Å |
| 339 | K | 68.1 | Low | 64 | Low | 113 Ų | 113 | 68.7 Ų | 68.7 | 49% | 0.491 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -97.2 | 119.5 | 173.8 | -70.8 | -178.4 | 180 | 174.7 | 0 | 110 | ||
| 340 | S | 59.8 | Low | 61.5 | Low | 16 Ų | 16 | 72.3 Ų | 72.3 | 11% | 0.112 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 138.4 | -179.1 | -77.7 | 0 | 0 | 0 | 0 | 114.4 | T342 I639 E679 Q682 S683 | S340-T342 PolarHBondContact O-N 3.2Å; S340-I639 WeakPolarHBondContact OG-CG2 3.47Å; S340-E679 VanDerWaalsContact OG-C 3.29Å; S340-E679 VanDerWaalsContact OG-CA 3.27Å; S340-E679 WeakPolarHBondContact OG-CA 3.5Å; S340-E679 WeakPolarHBondContact OG-CB 3.33Å; S340-E679 PolarHBondContact OG-O 2.86Å; S340-Q682 PolarHBondContact O-NE2 2.68Å; S340-S683 PolarHBondContact OG-OG 2.88Å |
| 341 | R | 74.1 | Confident | 59.4 | Low | 74 Ų | 74 | 73.1 Ų | 73.1 | 28% | 0.279 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 125.8 | 176.3 | -171.1 | -179.4 | -173.9 | -164.2 | 1.8 | 113.1 | D643 S646 E650 Q682 D690 N724 | R341-D643 HydrophobicContact CB-CB 4.25Å; R341-D643 VanDerWaalsContact CB-CG 3.48Å; R341-D643 WeakPolarHBondContact CB-OD1 3.43Å; R341-D643 PolarHBondContact N-OD2 2.83Å; R341-S646 PolarHBondContact NH1-OG 3.31Å; R341-E650 IonicContact CZ-OE2 3.72Å; R341-E650 VanDerWaalsContact CZ-OE2 3.28Å; R341-E650 IonicContact NH1-OE2 3.01Å; R341-E650 PolarHBondContact NH1-OE2 3.07Å; R341-E650 IonicContact NH2-OE1 3.71Å; R341-E650 IonicContact NH2-OE2 2.84Å; R341-E650 PolarHBondContact NH2-OE2 2.66Å; R341-Q682 PolarHBondContact O-NE2 3.46Å; R341-D690 IonicContact NH1-OD2 3.55Å; R341-N724 PolarHBondContact O-ND2 3.07Å |
| 342 | T | 69.5 | Low | 57.4 | Low | 28 Ų | 28 | 68.9 Ų | 68.9 | 17% | 0.172 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -103 | 130 | 169.4 | -58.7 | 0 | 0 | 0 | 0 | 110.1 | S340 T344 Q682 L764 | S340-T342 PolarHBondContact O-N 3.2Å; T342-T344 HydrophobicContact CG2-CG2 4.35Å; T342-T344 PolarHBondContact O-N 3.26Å; T342-Q682 PolarHBondContact OG1-NE2 2.98Å; T342-L764 HydrophobicContact CG2-CD2 3.53Å; T342-L764 WeakPolarHBondContact OG1-CD2 3.44Å |
| 343 | V | 62.5 | Low | 55.3 | Low | 18 Ų | 18 | 73.2 Ų | 73.2 | 11% | 0.109 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 121.7 | 175.8 | 179.1 | 0 | 0 | 0 | 0 | 110.3 | A686 N723 N724 W727 I777 | V343-A686 HydrophobicContact CG2-CB 4.14Å; V343-N723 PolarHBondContact O-ND2 3.49Å; V343-N724 PolarHBondContact N-OD1 2.94Å; V343-W727 HydrophobicContact CB-CD2 4.35Å; V343-W727 HydrophobicContact CB-CE3 4.47Å; V343-W727 HydrophobicContact CB-CG 4.44Å; V343-W727 HydrophobicContact CG1-CD2 3.8Å; V343-W727 HydrophobicContact CG1-CE3 4.32Å; V343-W727 HydrophobicContact CG1-CG 3.84Å; V343-W727 HydrophobicContact CG2-CD2 4.19Å; V343-W727 HydrophobicContact CG2-CE3 3.85Å; V343-W727 HydrophobicContact CG2-CZ3 4.08Å; V343-I777 WeakPolarHBondContact O-CD1 3.44Å |
| 344 | T | 61.4 | Low | 53.2 | Low | 29 Ų | 29 | 72.6 Ų | 72.6 | 18% | 0.178 | 38% | 0.377 | C | S | . | . | trans | -125.3 | 163.8 | 179.8 | 60.1 | 0 | 0 | 0 | 0 | 111.6 | T342 L765 T772 | T342-T344 HydrophobicContact CG2-CG2 4.35Å; T342-T344 PolarHBondContact O-N 3.26Å; T344-L765 HydrophobicContact CG2-CD2 4.34Å; T344-T772 HydrophobicContact CG2-CG2 4.25Å | ||
| 345 | L | 54.6 | Low | 51.2 | Low | 9 Ų | 9 | 71.9 Ų | 71.9 | 5% | 0.047 | 38% | 0.382 | C | S | . | . | trans | -121.9 | 141.9 | 179.5 | -64.8 | 161.4 | 0 | 0 | 0 | 109.5 | H347 T772 A776 I777 I780 I811 E816 | L345-H347 PolarHBondContact O-N 3.34Å; L345-T772 HydrophobicContact CB-CG2 3.95Å; L345-T772 WeakPolarHBondContact O-CG2 3.31Å; L345-A776 HydrophobicContact CD1-CB 4.09Å; L345-I777 HydrophobicContact CD1-CG1 3.86Å; L345-I777 HydrophobicContact CG-CG1 4.46Å; L345-I780 HydrophobicContact CD1-CD1 3.19Å; L345-I780 HydrophobicContact CD2-CD1 4.47Å; L345-I780 HydrophobicContact CG-CD1 4.45Å; L345-I811 HydrophobicContact CD1-CD1 4.12Å; L345-E816 HydrophobicContact CD2-CB 4.21Å; L345-E816 HydrophobicContact CD2-CG 3.94Å | ||
| 346 | P | 48 | Very low | 49.4 | Very low | 47 Ų | 47 | 71.6 Ų | 71.6 | 31% | 0.305 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 123.8 | 178.8 | 27.4 | -32.8 | 0 | 0 | 0 | 112.6 | R812 | P346-R812 PolarHBondContact O-N 3.22Š|
| 347 | H | 48.4 | Very low | 47.4 | Very low | 23 Ų | 23 | 75.1 Ų | 75.1 | 11% | 0.106 | 40% | 0.395 | C | S | . | . | B | Isolated β-bridge | trans | -92.9 | 155.6 | 173.5 | -175.2 | 2.4 | 0 | 0 | 0 | 111.3 | L345 L771 N810 R812 | L345-H347 PolarHBondContact O-N 3.34Å; H347-L771 HydrophobicContact CB-CB 3.56Å; H347-L771 WeakPolarHBondContact CB-O 3.22Å; H347-L771 PolarHBondContact N-O 3.07Å; H347-N810 WeakPolarHBondContact CE1-CB 3.45Å; H347-N810 PolarHBondContact CE1-O 3.48Å; H347-N810 PolarHBondContact ND1-O 3.15Å; H347-R812 PolarHBondContact O-NE 2.97Å; H347-R812 PolarHBondContact O-NH2 3.42Å |
| 348 | E | 39.6 | Very low | 45.3 | Very low | 99 Ų | 99 | 69.6 Ų | 69.6 | 46% | 0.463 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 137.4 | 161.9 | -68.5 | -171.1 | 155.6 | 0 | 0 | 110 | E350 N810 R812 | E348-E350 PolarHBondContact O-N 3.29Å; E348-N810 PolarHBondContact N-O 3.11Å; E348-R812 HydrophobicContact CG-CG 4.09Å |
| 349 | A | 33.1 | Very low | 43.4 | Very low | 94 Ų | 94 | 75 Ų | 75 | 78% | 0.777 | 40% | 0.4 | S | S | * | . | trans | -59.5 | 94.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 350 | E | 31.1 | Very low | 41.5 | Very low | 127 Ų | 127 | 76.4 Ų | 76.4 | 59% | 0.593 | 41% | 0.413 | S | S | * | . | trans | -121.9 | 130.4 | 162.6 | -78.6 | -168 | 161.8 | 0 | 0 | 109.6 | E348 L771 | E348-E350 PolarHBondContact O-N 3.29Å; E350-L771 WeakPolarHBondContact O-CD1 3.3Å; E350-L771 VanDerWaalsContact O-CD2 3.26Å; E350-L771 WeakPolarHBondContact O-CD2 3.45Å | ||
| 351 | R | 31.4 | Very low | 40.1 | Very low | 197 Ų | 197 | 82.3 Ų | 82.3 | 74% | 0.743 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -49.3 | 138.2 | -174.3 | -58.8 | 175.7 | -177.7 | -171.9 | -2.4 | 113.3 | ||
| 352 | P | 29.3 | Very low | 38.5 | Very low | 87 Ų | 87 | 83.2 Ų | 83.2 | 57% | 0.565 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 137 | 148.1 | 0.5 | 16.8 | 0 | 0 | 0 | 110 | L771 | P352-L771 HydrophobicContact CG-CD2 4.02Š|
| 353 | D | 27 | Very low | 37.1 | Very low | 144 Ų | 144 | 85.4 Ų | 85.4 | 77% | 0.77 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -89.5 | 122.1 | 149.8 | -105.4 | -29.5 | 0 | 0 | 0 | 103.8 | R388 | D353-R388 IonicContact OD1-NH2 2.58Å; D353-R388 PolarHBondContact OD1-NH2 3Å |
| 354 | G | 29 | Very low | 36.3 | Very low | 32 Ų | 32 | 87.5 Ų | 87.5 | 33% | 0.33 | 48% | 0.475 | S | S | . | . | trans | 98.9 | 74.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 355 | S | 26.1 | Very low | 35.8 | Very low | 63 Ų | 63 | 87.1 Ų | 87.1 | 44% | 0.441 | 47% | 0.472 | S | S | . | . | trans | -94.2 | 70 | 165.9 | 49.7 | 0 | 0 | 0 | 0 | 110.1 | E423 | S355-E423 PolarHBondContact OG-OE1 3.28Š| ||
| 356 | E | 29.7 | Very low | 35.2 | Very low | 94 Ų | 94 | 89.3 Ų | 89.3 | 44% | 0.439 | 49% | 0.491 | S | S | . | . | trans | -120.7 | -11.9 | -172.5 | -75.5 | -176.4 | 176.2 | 0 | 0 | 115 | N385 E766 | E356-N385 PolarHBondContact OE1-ND2 2.83Å; E356-E766 PolarHBondContact N-OE2 2.99Å | ||
| 357 | D | 24.8 | Very low | 35 | Very low | 133 Ų | 133 | 90.9 Ų | 90.9 | 71% | 0.711 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -98.9 | 10.1 | -173.9 | -69.6 | -21.2 | 0 | 0 | 0 | 115.1 | E766 | D357-E766 PolarHBondContact N-OE2 2.85Š|
| 358 | A | 30.3 | Very low | 35.4 | Very low | 22 Ų | 22 | 90.2 Ų | 90.2 | 18% | 0.182 | 49% | 0.494 | C | S | . | . | S | Bend | trans | -111.6 | -23.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | E766 N767 | A358-E766 HydrophobicContact CB-CB 4.4Å; A358-N767 WeakPolarHBondContact CB-OD1 3.37Å |
| 359 | E | 32.6 | Very low | 36.8 | Very low | 125 Ų | 125 | 92.4 Ų | 92.4 | 58% | 0.584 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -105.5 | -6.2 | -176.4 | -68.3 | -171.5 | 178.6 | 0 | 0 | 113.8 | D361 D362 | E359-D361 VanDerWaalsContact C-N 3.31Å; E359-D361 PolarHBondContact O-N 3.18Å; E359-D362 PolarHBondContact O-N 3.32Å |
| 360 | D | 29.9 | Very low | 39.3 | Very low | 144 Ų | 144 | 92.8 Ų | 92.8 | 77% | 0.77 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -11.7 | -173.8 | -111.7 | 7.7 | 0 | 0 | 0 | 114.8 | ||
| 361 | D | 30.7 | Very low | 42.1 | Very low | 139 Ų | 139 | 87.8 Ų | 87.8 | 74% | 0.743 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -11.5 | 172.7 | -92.3 | -25.5 | 0 | 0 | 0 | 113.4 | E359 | E359-D361 VanDerWaalsContact C-N 3.31Å; E359-D361 PolarHBondContact O-N 3.18Å |
| 362 | D | 39.7 | Very low | 45.1 | Very low | 93 Ų | 93 | 80.2 Ų | 80.2 | 50% | 0.497 | 44% | 0.442 | S | S | . | . | trans | -104.4 | 49.9 | 178 | -84.2 | -30.2 | 0 | 0 | 0 | 111.2 | E359 D364 | E359-D362 PolarHBondContact O-N 3.32Å; D362-D364 PolarHBondContact O-N 2.82Å | ||
| 363 | D | 39.9 | Very low | 48.2 | Very low | 74 Ų | 74 | 77 Ų | 77 | 40% | 0.396 | 42% | 0.419 | S | S | . | . | trans | -70.5 | 76.6 | 173.2 | -155.7 | 9.3 | 0 | 0 | 0 | 109.4 | K334 D365 K374 | K334-D363 VanDerWaalsContact NZ-C 3.3Å; K334-D363 PolarHBondContact NZ-O 2.69Å; D363-D365 PolarHBondContact O-N 2.93Å; D363-K374 IonicContact OD1-NZ 2.84Å; D363-K374 PolarHBondContact OD1-NZ 3.2Å; D363-K374 IonicContact OD2-NZ 3.69Å; D363-K374 PolarHBondContact OD2-NZ 3.1Å | ||
| 364 | D | 45.7 | Very low | 51.2 | Low | 62 Ų | 62 | 72 Ų | 72 | 33% | 0.332 | 39% | 0.39 | S | S | . | . | trans | -63.7 | 21.1 | -149.6 | -125 | -8.5 | 0 | 0 | 0 | 118.3 | D362 E495 K533 | D362-D364 PolarHBondContact O-N 2.82Å; D364-E495 VanDerWaalsContact CG-OE1 3.31Å; D364-K533 PolarHBondContact O-NZ 3.41Å | ||
| 365 | D | 51.1 | Low | 54.4 | Low | 21 Ų | 21 | 70.5 Ų | 70.5 | 11% | 0.112 | 38% | 0.375 | C | S | . | . | trans | -134.6 | 92.1 | -176.3 | -134.1 | -8.3 | 0 | 0 | 0 | 111.2 | L316 D363 L367 S368 R492 | L316-D365 VanDerWaalsContact CD2-OD2 3.22Å; L316-D365 WeakPolarHBondContact CD2-OD2 3.38Å; D363-D365 PolarHBondContact O-N 2.93Å; D365-L367 PolarHBondContact O-N 2.94Å; D365-S368 PolarHBondContact O-N 2.9Å; D365-S368 VanDerWaalsContact O-N 3.07Å; D365-R492 VanDerWaalsContact CG-NH1 3.31Å; D365-R492 IonicContact OD1-NH1 2.86Å; D365-R492 PolarHBondContact OD1-NH1 3.22Å; D365-R492 VanDerWaalsContact OD1-NH1 3.13Å; D365-R492 IonicContact OD2-CZ 3.75Å; D365-R492 IonicContact OD2-NH1 3.28Å; D365-R492 PolarHBondContact OD2-NH1 3.2Å; D365-R492 IonicContact OD2-NH2 2.77Å; D365-R492 PolarHBondContact OD2-NH2 3.13Å | ||
| 366 | A | 40.9 | Very low | 57.8 | Low | 55 Ų | 55 | 67.6 Ų | 67.6 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -9.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 367 | L | 43.8 | Very low | 60.9 | Low | 81 Ų | 81 | 63.8 Ų | 63.8 | 42% | 0.424 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -9.1 | 178.8 | -75.3 | 146.4 | 0 | 0 | 0 | 114.3 | L316 D365 | L316-L367 HydrophobicContact CD2-CB 4.11Å; D365-L367 PolarHBondContact O-N 2.94Å |
| 368 | S | 56.7 | Low | 64.1 | Low | 8 Ų | 8 | 58.9 Ų | 58.9 | 6% | 0.056 | 32% | 0.317 | C | S | . | . | trans | -134.6 | 95 | 178.6 | -179.4 | 0 | 0 | 0 | 0 | 111 | D365 N371 K374 | D365-S368 PolarHBondContact O-N 2.9Å; D365-S368 VanDerWaalsContact O-N 3.07Å; S368-N371 PolarHBondContact OG-ND2 3.14Å; S368-K374 PolarHBondContact O-NZ 3.2Å | ||
| 369 | D | 70.4 | Confident | 67.3 | Low | 145 Ų | 145 | 57.8 Ų | 57.8 | 78% | 0.775 | 31% | 0.308 | S | S | * | . | trans | -48.4 | 160.3 | 166.2 | -66 | -37.3 | 0 | 0 | 0 | 111.9 | N371 | D369-N371 PolarHBondContact O-N 3.5Å; D369-N371 VanDerWaalsContact O-N 3.16Å | ||
| 370 | W | 86.2 | Confident | 70.4 | Confident | 102 Ų | 102 | 51.9 Ų | 51.9 | 39% | 0.386 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -51.2 | 121.2 | 171.7 | -176.4 | -111.8 | 0 | 0 | 0 | 110.4 | E276 L279 K374 C375 A378 | E276-W370 PolarHBondContact OE1-NE1 2.89Å; E276-W370 VanDerWaalsContact OE1-NE1 3.07Å; L279-W370 HydrophobicContact CD2-CZ2 4.45Å; W370-K374 HydrophobicContact CD2-CB 4.5Å; W370-K374 HydrophobicContact CE3-CB 3.8Å; W370-K374 HydrophobicContact CE3-CD 4.1Å; W370-K374 HydrophobicContact CH2-CB 4.47Å; W370-K374 HydrophobicContact CZ3-CB 3.78Å; W370-C375 HydrophobicContact CH2-CB 4.37Å; W370-C375 HydrophobicContact CZ2-CB 3.64Å; W370-A378 HydrophobicContact CH2-CB 4.02Å |
| 371 | N | 89.7 | Confident | 73.4 | Confident | 23 Ų | 23 | 46.4 Ų | 46.4 | 12% | 0.123 | 25% | 0.251 | C | S | . | . | trans | -140.1 | 173.1 | -171 | 67 | 22.5 | 0 | 0 | 0 | 111.8 | S368 D369 R373 K374 C375 | S368-N371 PolarHBondContact OG-ND2 3.14Å; D369-N371 PolarHBondContact O-N 3.5Å; D369-N371 VanDerWaalsContact O-N 3.16Å; N371-R373 PolarHBondContact O-N 3.08Å; N371-R373 WeakPolarHBondContact OD1-CB 3.47Å; N371-R373 PolarHBondContact OD1-N 2.89Å; N371-K374 PolarHBondContact O-N 3.3Å; N371-K374 PolarHBondContact OD1-N 2.81Å; N371-C375 WeakPolarHBondContact O-CB 3.46Å; N371-C375 PolarHBondContact O-N 3.11Å | ||
| 372 | L | 93.9 | Very high | 76.4 | Confident | 37 Ų | 37 | 40.9 Ų | 40.9 | 19% | 0.194 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.2 | -34.6 | -176.7 | -179.9 | 61.5 | 0 | 0 | 0 | 112.5 | A271 C275 S376 | A271-L372 HydrophobicContact CB-CD1 4.23Å; A271-L372 HydrophobicContact CB-CD2 3.88Å; C275-L372 HydrophobicContact CB-CD1 3.69Å; L372-S376 VanDerWaalsContact O-CB 3.23Å; L372-S376 WeakPolarHBondContact O-CB 3.42Å; L372-S376 PolarHBondContact O-N 3.16Å; L372-S376 PolarHBondContact O-OG 3.1Å |
| 373 | R | 94.1 | Very high | 79 | Confident | 20 Ų | 20 | 36.4 Ų | 36.4 | 8% | 0.075 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.4 | -51 | 178.4 | 167 | 177.4 | 171.2 | 113.4 | -6.6 | 111.9 | G305 M306 Y308 N371 S376 A377 E412 L416 | G305-R373 VanDerWaalsContact O-CA 3.24Å; G305-R373 WeakPolarHBondContact O-CA 3.03Å; M306-R373 PolarHBondContact O-NH1 2.92Å; Y308-R373 VanDerWaalsContact CD2-NH1 3.34Å; Y308-R373 VanDerWaalsContact CZ-CZ 3.43Å; Y308-R373 VanDerWaalsContact CZ-NH2 3.33Å; Y308-R373 PolarHBondContact OH-NH2 3.21Å; N371-R373 PolarHBondContact O-N 3.08Å; N371-R373 WeakPolarHBondContact OD1-CB 3.47Å; N371-R373 PolarHBondContact OD1-N 2.89Å; R373-S376 PolarHBondContact O-N 3.15Å; R373-A377 WeakPolarHBondContact O-CB 3.27Å; R373-A377 PolarHBondContact O-N 3.44Å; R373-E412 IonicContact CZ-OE1 2.84Å; R373-E412 IonicContact CZ-OE2 2.74Å; R373-E412 IonicContact NH1-OE1 2.76Å; R373-E412 IonicContact NH1-OE2 2.8Å; R373-E412 PolarHBondContact NH1-OE2 3.48Å; R373-E412 IonicContact NH2-OE1 2.72Å; R373-E412 PolarHBondContact NH2-OE1 3.1Å; R373-E412 IonicContact NH2-OE2 2.7Å; R373-E412 PolarHBondContact NH2-OE2 3.21Å; R373-E412 VanDerWaalsContact NH2-OE2 3.08Å; R373-L416 HydrophobicContact CG-CD2 4.5Å |
| 374 | K | 91.1 | Very high | 81.7 | Confident | 40 Ų | 40 | 32.9 Ų | 32.9 | 17% | 0.174 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.8 | -48.5 | 177.2 | -71.1 | -175.9 | 172.6 | -168.3 | 0 | 110.8 | D363 S368 W370 N371 S376 A377 A378 | D363-K374 IonicContact OD1-NZ 2.84Å; D363-K374 PolarHBondContact OD1-NZ 3.2Å; D363-K374 IonicContact OD2-NZ 3.69Å; D363-K374 PolarHBondContact OD2-NZ 3.1Å; S368-K374 PolarHBondContact O-NZ 3.2Å; W370-K374 HydrophobicContact CD2-CB 4.5Å; W370-K374 HydrophobicContact CE3-CB 3.8Å; W370-K374 HydrophobicContact CE3-CD 4.1Å; W370-K374 HydrophobicContact CH2-CB 4.47Å; W370-K374 HydrophobicContact CZ3-CB 3.78Å; N371-K374 PolarHBondContact O-N 3.3Å; N371-K374 PolarHBondContact OD1-N 2.81Å; K374-S376 VanDerWaalsContact C-N 3.35Å; K374-S376 PolarHBondContact O-N 2.88Å; K374-A377 PolarHBondContact O-N 3.05Å; K374-A377 VanDerWaalsContact O-N 3.16Å; K374-A378 WeakPolarHBondContact O-CB 3.3Å; K374-A378 PolarHBondContact O-N 3.23Å |
| 375 | C | 94.5 | Very high | 83.9 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.3 | -41.8 | 178.6 | -174.2 | 0 | 0 | 0 | 0 | 112.5 | L272 C275 E276 W370 N371 A377 A379 | L272-C375 HydrophobicContact CD1-CB 3.62Å; C275-C375 VanDerWaalsContact C-SG 3.55Å; C275-C375 HydrophobicContact CB-CB 4.42Å; C275-C375 VanDerWaalsContact SG-SG 3.6Å; E276-C375 PolarHBondContact N-SG 2.94Å; E276-C375 VanDerWaalsContact N-SG 3.44Å; W370-C375 HydrophobicContact CH2-CB 4.37Å; W370-C375 HydrophobicContact CZ2-CB 3.64Å; N371-C375 WeakPolarHBondContact O-CB 3.46Å; N371-C375 PolarHBondContact O-N 3.11Å; C375-A377 VanDerWaalsContact C-N 3.35Å; C375-A377 PolarHBondContact O-N 2.95Å; C375-A379 VanDerWaalsContact O-CB 3.25Å; C375-A379 WeakPolarHBondContact O-CB 3.33Å; C375-A379 PolarHBondContact O-N 3.37Å |
| 376 | S | 97.2 | Very high | 85.9 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.007 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66 | -37.5 | 177.1 | -60.9 | 0 | 0 | 0 | 0 | 112.5 | L302 L372 R373 K374 L380 | L302-S376 WeakPolarHBondContact O-CB 3.42Å; L372-S376 VanDerWaalsContact O-CB 3.23Å; L372-S376 WeakPolarHBondContact O-CB 3.42Å; L372-S376 PolarHBondContact O-N 3.16Å; L372-S376 PolarHBondContact O-OG 3.1Å; R373-S376 PolarHBondContact O-N 3.15Å; K374-S376 VanDerWaalsContact C-N 3.35Å; K374-S376 PolarHBondContact O-N 2.88Å; S376-L380 WeakPolarHBondContact O-CB 3.45Å; S376-L380 PolarHBondContact O-N 3.14Å; S376-L380 VanDerWaalsContact O-N 3.08Å |
| 377 | A | 95.4 | Very high | 88.5 | Confident | 14 Ų | 14 | 30.3 Ų | 30.3 | 12% | 0.116 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.5 | -48.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | M306 R373 K374 C375 A379 L380 D381 L416 | M306-A377 HydrophobicContact CE-CB 3.78Å; M306-A377 HydrophobicContact CG-CB 4.2Å; M306-A377 HydrophobicContact SD-CB 4.49Å; R373-A377 WeakPolarHBondContact O-CB 3.27Å; R373-A377 PolarHBondContact O-N 3.44Å; K374-A377 PolarHBondContact O-N 3.05Å; K374-A377 VanDerWaalsContact O-N 3.16Å; C375-A377 VanDerWaalsContact C-N 3.35Å; C375-A377 PolarHBondContact O-N 2.95Å; A377-A379 PolarHBondContact O-N 3.01Å; A377-L380 PolarHBondContact O-N 3.25Å; A377-L380 VanDerWaalsContact O-N 3.14Å; A377-D381 PolarHBondContact O-N 3.07Å; A377-L416 HydrophobicContact CB-CD1 4.47Å; A377-L416 HydrophobicContact CB-CD2 4.21Å |
| 378 | A | 93.3 | Very high | 90.9 | Very high | 30 Ų | 30 | 31.7 Ų | 31.7 | 25% | 0.248 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.7 | -46.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L279 W370 K374 L380 D381 V382 | L279-A378 HydrophobicContact CD1-CB 3.96Å; W370-A378 HydrophobicContact CH2-CB 4.02Å; K374-A378 WeakPolarHBondContact O-CB 3.3Å; K374-A378 PolarHBondContact O-N 3.23Å; A378-L380 VanDerWaalsContact C-N 3.27Å; A378-L380 PolarHBondContact O-N 3.32Å; A378-D381 PolarHBondContact O-N 3.47Å; A378-D381 VanDerWaalsContact O-N 3.16Å; A378-V382 WeakPolarHBondContact O-CG2 3.34Å; A378-V382 PolarHBondContact O-N 3.11Å; A378-V382 VanDerWaalsContact O-N 3.07Å |
| 379 | A | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.7 | -38.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | W278 L279 L302 C375 A377 L383 | W278-A379 HydrophobicContact CB-CB 3.88Å; L279-A379 HydrophobicContact CB-CB 4.42Å; L302-A379 HydrophobicContact CD1-CB 4.36Å; L302-A379 HydrophobicContact CD2-CB 4.4Å; C375-A379 VanDerWaalsContact O-CB 3.25Å; C375-A379 WeakPolarHBondContact O-CB 3.33Å; C375-A379 PolarHBondContact O-N 3.37Å; A377-A379 PolarHBondContact O-N 3.01Å; A379-L383 VanDerWaalsContact O-CB 3.29Å; A379-L383 WeakPolarHBondContact O-CB 3.35Å; A379-L383 WeakPolarHBondContact O-CD1 3.38Å; A379-L383 WeakPolarHBondContact O-CG 3.21Å; A379-L383 PolarHBondContact O-N 3.26Å; A379-L383 VanDerWaalsContact O-N 3.08Å |
| 380 | L | 97.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.8 | -36.1 | 177.5 | -173.9 | 62.8 | 0 | 0 | 0 | 112.5 | I299 V303 M306 S376 A377 A378 L383 A384 L391 L395 V417 I421 | I299-L380 HydrophobicContact CD1-CD1 3.7Å; V303-L380 HydrophobicContact CG2-CD2 4.26Å; M306-L380 HydrophobicContact CE-CD2 4.21Å; M306-L380 HydrophobicContact SD-CB 4.4Å; M306-L380 HydrophobicContact SD-CD2 3.68Å; S376-L380 WeakPolarHBondContact O-CB 3.45Å; S376-L380 PolarHBondContact O-N 3.14Å; S376-L380 VanDerWaalsContact O-N 3.08Å; A377-L380 PolarHBondContact O-N 3.25Å; A377-L380 VanDerWaalsContact O-N 3.14Å; A378-L380 VanDerWaalsContact C-N 3.27Å; A378-L380 PolarHBondContact O-N 3.32Å; L380-L383 PolarHBondContact O-N 3.05Å; L380-A384 WeakPolarHBondContact O-CB 3.41Å; L380-A384 PolarHBondContact O-N 3.36Å; L380-L391 HydrophobicContact CD1-CD2 4.12Å; L380-L395 HydrophobicContact CD1-CD2 4.34Å; L380-L395 HydrophobicContact CD2-CD2 4.31Å; L380-V417 HydrophobicContact CD2-CG1 3.98Å; L380-V417 HydrophobicContact CD2-CG2 4.3Å; L380-I421 HydrophobicContact CD2-CG2 4.14Å; L380-I421 HydrophobicContact CG-CG2 4.07Å |
| 381 | D | 93.8 | Very high | 94.2 | Very high | 30 Ų | 30 | 28.7 Ų | 28.7 | 16% | 0.16 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.9 | -54.3 | 177 | -162.2 | -13.3 | 0 | 0 | 0 | 111 | A377 A378 L383 A384 N385 A420 R461 | A377-D381 PolarHBondContact O-N 3.07Å; A378-D381 PolarHBondContact O-N 3.47Å; A378-D381 VanDerWaalsContact O-N 3.16Å; D381-L383 VanDerWaalsContact C-N 3.28Å; D381-L383 PolarHBondContact O-N 2.89Å; D381-A384 WeakPolarHBondContact O-CA 3.43Å; D381-A384 VanDerWaalsContact O-CB 3.27Å; D381-A384 WeakPolarHBondContact O-CB 3.44Å; D381-A384 PolarHBondContact O-N 3.08Å; D381-N385 PolarHBondContact O-N 3.08Å; D381-A420 WeakPolarHBondContact CA-O 3.46Å; D381-A420 WeakPolarHBondContact CB-O 3.4Å; D381-R461 IonicContact OD2-NH2 3.42Å |
| 382 | V | 93.1 | Very high | 94.5 | Very high | 22 Ų | 22 | 28.1 Ų | 28.1 | 13% | 0.133 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.7 | -39.1 | 177.4 | -172.2 | 0 | 0 | 0 | 0 | 111.1 | L279 A282 A378 A384 N385 V386 | L279-V382 HydrophobicContact CD1-CB 4.49Å; L279-V382 HydrophobicContact CD1-CG2 3.72Å; A282-V382 HydrophobicContact CB-CB 3.93Å; A282-V382 HydrophobicContact CB-CG1 3.46Å; A282-V382 VanDerWaalsContact CB-CG1 3.46Å; A378-V382 WeakPolarHBondContact O-CG2 3.34Å; A378-V382 PolarHBondContact O-N 3.11Å; A378-V382 VanDerWaalsContact O-N 3.07Å; V382-A384 VanDerWaalsContact C-N 3.31Å; V382-A384 PolarHBondContact O-N 3.45Å; V382-N385 WeakPolarHBondContact O-CB 3.37Å; V382-N385 PolarHBondContact O-N 2.98Å; V382-N385 VanDerWaalsContact O-N 3.14Å; V382-V386 WeakPolarHBondContact O-CG2 3.21Å; V382-V386 PolarHBondContact O-N 2.93Å |
| 383 | L | 95.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.1 | -34 | 173.9 | -74.4 | 171.7 | 0 | 0 | 0 | 112.9 | A282 L291 L298 L302 A379 L380 D381 N385 V386 F387 | A282-L383 HydrophobicContact CB-CD2 3.98Å; A282-L383 HydrophobicContact CB-CG 4.2Å; L291-L383 HydrophobicContact CD2-CD1 4.47Å; L291-L383 HydrophobicContact CD2-CD2 3.52Å; L298-L383 HydrophobicContact CD2-CD1 3.94Å; L302-L383 HydrophobicContact CD1-CD1 3.71Å; A379-L383 VanDerWaalsContact O-CB 3.29Å; A379-L383 WeakPolarHBondContact O-CB 3.35Å; A379-L383 WeakPolarHBondContact O-CD1 3.38Å; A379-L383 WeakPolarHBondContact O-CG 3.21Å; A379-L383 PolarHBondContact O-N 3.26Å; A379-L383 VanDerWaalsContact O-N 3.08Å; L380-L383 PolarHBondContact O-N 3.05Å; D381-L383 VanDerWaalsContact C-N 3.28Å; D381-L383 PolarHBondContact O-N 2.89Å; L383-N385 VanDerWaalsContact C-N 3.33Å; L383-V386 PolarHBondContact O-N 3.06Å; L383-F387 HydrophobicContact CD2-CD2 4.04Å; L383-F387 HydrophobicContact CD2-CE2 3.73Å; L383-F387 WeakPolarHBondContact O-CB 3.27Å; L383-F387 WeakPolarHBondContact O-CD2 3.43Å; L383-F387 PolarHBondContact O-N 2.97Å |
| 384 | A | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.5 | -39 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111 | L380 D381 V382 R388 L391 I421 G424 | L380-A384 WeakPolarHBondContact O-CB 3.41Å; L380-A384 PolarHBondContact O-N 3.36Å; D381-A384 WeakPolarHBondContact O-CA 3.43Å; D381-A384 VanDerWaalsContact O-CB 3.27Å; D381-A384 WeakPolarHBondContact O-CB 3.44Å; D381-A384 PolarHBondContact O-N 3.08Å; V382-A384 VanDerWaalsContact C-N 3.31Å; V382-A384 PolarHBondContact O-N 3.45Å; A384-R388 WeakPolarHBondContact O-CA 3.38Å; A384-R388 PolarHBondContact O-N 3.38Å; A384-L391 HydrophobicContact CB-CD2 3.95Å; A384-I421 HydrophobicContact CB-CB 4.1Å; A384-I421 HydrophobicContact CB-CG2 4.16Å; A384-G424 CarbonylContact O-C 3.42Å; A384-G424 WeakPolarHBondContact O-CA 3.32Å |
| 385 | N | 91.7 | Very high | 94.6 | Very high | 37 Ų | 37 | 30.5 Ų | 30.5 | 20% | 0.198 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.4 | -35.8 | 175 | -75.2 | -35.5 | 0 | 0 | 0 | 112.8 | E356 D381 V382 L383 R388 G424 | E356-N385 PolarHBondContact OE1-ND2 2.83Å; D381-N385 PolarHBondContact O-N 3.08Å; V382-N385 WeakPolarHBondContact O-CB 3.37Å; V382-N385 PolarHBondContact O-N 2.98Å; V382-N385 VanDerWaalsContact O-N 3.14Å; L383-N385 VanDerWaalsContact C-N 3.33Å; N385-R388 WeakPolarHBondContact O-CG 3.27Å; N385-G424 WeakPolarHBondContact OD1-CA 3.47Å; N385-G424 PolarHBondContact OD1-N 2.92Å; N385-G424 VanDerWaalsContact OD1-N 3.12Å |
| 386 | V | 93.4 | Very high | 94.5 | Very high | 44 Ų | 44 | 32.7 Ų | 32.7 | 27% | 0.267 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -74.3 | -49.5 | 178 | 173.8 | 0 | 0 | 0 | 0 | 112.9 | A282 C287 K288 V382 L383 | A282-V386 HydrophobicContact CB-CG2 4.47Å; A282-V386 VanDerWaalsContact O-CG2 3.29Å; A282-V386 WeakPolarHBondContact O-CG2 3.42Å; C287-V386 HydrophobicContact CB-CG1 4.34Å; K288-V386 HydrophobicContact CB-CG1 4.45Å; V382-V386 WeakPolarHBondContact O-CG2 3.21Å; V382-V386 PolarHBondContact O-N 2.93Å; L383-V386 PolarHBondContact O-N 3.06Å |
| 387 | F | 95.5 | Very high | 94.3 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -92.8 | -20.7 | -172.8 | -73.6 | -84.6 | 0 | 0 | 0 | 113.7 | K288 L291 A292 L295 L383 E389 E390 L391 | K288-F387 HydrophobicContact CB-CE1 4.27Å; K288-F387 HydrophobicContact CB-CZ 4.37Å; K288-F387 HydrophobicContact CG-CD1 4.23Å; K288-F387 HydrophobicContact CG-CE1 3.72Å; K288-F387 HydrophobicContact CG-CZ 4.31Å; L291-F387 HydrophobicContact CB-CZ 4.18Å; L291-F387 HydrophobicContact CD2-CE2 4.3Å; A292-F387 HydrophobicContact CB-CE1 4.29Å; L295-F387 HydrophobicContact CD1-CD1 3.65Å; L295-F387 HydrophobicContact CD1-CD2 4.45Å; L295-F387 HydrophobicContact CD1-CE1 3.57Å; L295-F387 HydrophobicContact CD1-CE2 4.4Å; L295-F387 HydrophobicContact CD1-CG 4.1Å; L295-F387 HydrophobicContact CD1-CZ 3.96Å; L295-F387 HydrophobicContact CD2-CD2 4.29Å; L295-F387 HydrophobicContact CD2-CE1 4.49Å; L295-F387 HydrophobicContact CD2-CE2 3.95Å; L295-F387 HydrophobicContact CD2-CZ 4.04Å; L295-F387 HydrophobicContact CG-CE1 4.32Å; L295-F387 HydrophobicContact CG-CZ 4.25Å; L383-F387 HydrophobicContact CD2-CD2 4.04Å; L383-F387 HydrophobicContact CD2-CE2 3.73Å; L383-F387 WeakPolarHBondContact O-CB 3.27Å; L383-F387 WeakPolarHBondContact O-CD2 3.43Å; L383-F387 PolarHBondContact O-N 2.97Å; F387-E389 PolarHBondContact O-N 3.31Å; F387-E390 HydrophobicContact CB-CB 4.48Å; F387-E390 VanDerWaalsContact O-CB 3.31Å; F387-E390 WeakPolarHBondContact O-CB 3.35Å; F387-E390 PolarHBondContact O-N 3.42Å; F387-E390 VanDerWaalsContact O-N 3.12Å; F387-L391 HydrophobicContact CB-CB 4.23Å; F387-L391 HydrophobicContact CB-CD1 4.29Å |
| 388 | R | 94.6 | Very high | 94.3 | Very high | 111 Ų | 111 | 38.9 Ų | 38.9 | 42% | 0.419 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | 49.1 | -130.2 | -179 | -54.5 | -171.8 | 177 | -140.1 | -3 | 111.1 | D353 A384 N385 E390 L391 G424 C425 | D353-R388 IonicContact OD1-NH2 2.58Å; D353-R388 PolarHBondContact OD1-NH2 3Å; A384-R388 WeakPolarHBondContact O-CA 3.38Å; A384-R388 PolarHBondContact O-N 3.38Å; N385-R388 WeakPolarHBondContact O-CG 3.27Å; R388-E390 PolarHBondContact O-N 3.3Å; R388-L391 WeakPolarHBondContact O-CB 3.42Å; R388-L391 PolarHBondContact O-N 2.87Å; R388-G424 WeakPolarHBondContact CA-O 3.41Å; R388-G424 WeakPolarHBondContact CB-O 3.33Å; R388-C425 PolarHBondContact O-SG 3.32Å |
| 389 | E | 93.4 | Very high | 94.3 | Very high | 90 Ų | 90 | 37.7 Ų | 37.7 | 42% | 0.421 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -63.4 | -17.9 | -175.4 | -56.7 | 84.7 | 176 | 0 | 0 | 113.9 | F387 L391 L392 P393 | F387-E389 PolarHBondContact O-N 3.31Å; E389-L391 PolarHBondContact O-N 3.13Å; E389-L392 HydrophobicContact CB-CD1 4.45Å; E389-L392 PolarHBondContact O-N 2.9Å; E389-P393 WeakPolarHBondContact O-CD 3.32Å |
| 390 | E | 94.1 | Very high | 94 | Very high | 102 Ų | 102 | 45.4 Ų | 45.4 | 48% | 0.477 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -66.7 | -19.6 | 175.8 | -61.4 | 174.9 | -154.4 | 0 | 0 | 112.5 | K288 F387 R388 P393 | K288-E390 WeakPolarHBondContact CE-OE1 3.45Å; K288-E390 WeakPolarHBondContact CE-OE2 3.33Å; K288-E390 IonicContact NZ-OE1 2.88Å; K288-E390 PolarHBondContact NZ-OE1 3.42Å; K288-E390 IonicContact NZ-OE2 3.4Å; K288-E390 PolarHBondContact NZ-OE2 3.5Å; F387-E390 HydrophobicContact CB-CB 4.48Å; F387-E390 VanDerWaalsContact O-CB 3.31Å; F387-E390 WeakPolarHBondContact O-CB 3.35Å; F387-E390 PolarHBondContact O-N 3.42Å; F387-E390 VanDerWaalsContact O-N 3.12Å; R388-E390 PolarHBondContact O-N 3.3Å; E390-P393 WeakPolarHBondContact O-CD 3.23Å |
| 391 | L | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -77.3 | -30.3 | 177.6 | -156.6 | 66.1 | 0 | 0 | 0 | 112.7 | L295 I299 L380 A384 F387 R388 E389 H394 L395 | L295-L391 HydrophobicContact CD2-CD1 4.33Å; I299-L391 HydrophobicContact CD1-CD1 3.51Å; I299-L391 HydrophobicContact CD1-CG 4.28Å; I299-L391 HydrophobicContact CG1-CD1 4Å; L380-L391 HydrophobicContact CD1-CD2 4.12Å; A384-L391 HydrophobicContact CB-CD2 3.95Å; F387-L391 HydrophobicContact CB-CB 4.23Å; F387-L391 HydrophobicContact CB-CD1 4.29Å; R388-L391 WeakPolarHBondContact O-CB 3.42Å; R388-L391 PolarHBondContact O-N 2.87Å; E389-L391 PolarHBondContact O-N 3.13Å; L391-H394 WeakPolarHBondContact O-CB 3.36Å; L391-H394 PolarHBondContact O-N 3.49Å; L391-H394 VanDerWaalsContact O-N 3.09Å; L391-L395 HydrophobicContact CB-CD1 4.3Å; L391-L395 HydrophobicContact CD2-CD1 3.55Å; L391-L395 HydrophobicContact CG-CD1 3.59Å; L391-L395 HydrophobicContact CG-CG 4.24Å; L391-L395 PolarHBondContact O-N 3.04Å |
| 392 | L | 94.9 | Very high | 93.8 | Very high | 10 Ų | 10 | 47.3 Ų | 47.3 | 5% | 0.052 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.1 | -40.7 | -170.9 | -67 | 178.8 | 0 | 0 | 0 | 115 | E389 H394 L395 L396 I421 C425 M429 | E389-L392 HydrophobicContact CB-CD1 4.45Å; E389-L392 PolarHBondContact O-N 2.9Å; L392-H394 PolarHBondContact O-N 2.8Å; L392-H394 VanDerWaalsContact O-N 3.14Å; L392-L395 PolarHBondContact O-N 3.07Å; L392-L395 VanDerWaalsContact O-N 3.16Å; L392-L396 HydrophobicContact CB-CD1 4.15Å; L392-L396 HydrophobicContact CB-CG 4.36Å; L392-L396 WeakPolarHBondContact O-CB 3.48Å; L392-L396 VanDerWaalsContact O-CG 3.3Å; L392-L396 WeakPolarHBondContact O-CG 3.46Å; L392-L396 PolarHBondContact O-N 3.01Å; L392-I421 HydrophobicContact CD2-CD1 4.28Å; L392-C425 HydrophobicContact CD1-CB 4.45Å; L392-C425 HydrophobicContact CD2-CB 3.81Å; L392-C425 HydrophobicContact CG-CB 4.2Å; L392-M429 HydrophobicContact CD2-CG 4.02Å; L392-M429 HydrophobicContact CD2-SD 3.55Å; L392-M429 VanDerWaalsContact CD2-SD 3.55Å |
| 393 | P | 94.5 | Very high | 93.9 | Very high | 87 Ų | 87 | 46.4 Ų | 46.4 | 57% | 0.565 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -58.4 | -26.4 | 176.5 | -25.8 | 35.9 | 0 | 0 | 0 | 113.9 | E389 E390 P397 | E389-P393 WeakPolarHBondContact O-CD 3.32Å; E390-P393 WeakPolarHBondContact O-CD 3.23Å; P393-P397 WeakPolarHBondContact O-CD 3.42Å |
| 394 | H | 93.7 | Very high | 93.8 | Very high | 61 Ų | 61 | 51.7 Ų | 51.7 | 28% | 0.282 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -85.9 | -34.2 | 178.3 | -56.2 | -63 | 0 | 0 | 0 | 112.2 | V296 I299 L391 L392 | V296-H394 VanDerWaalsContact CG2-CE1 3.43Å; V296-H394 WeakPolarHBondContact CG2-CE1 3.26Å; I299-H394 HydrophobicContact CG1-CB 4.47Å; I299-H394 HydrophobicContact CG2-CB 4.46Å; L391-H394 WeakPolarHBondContact O-CB 3.36Å; L391-H394 PolarHBondContact O-N 3.49Å; L391-H394 VanDerWaalsContact O-N 3.09Å; L392-H394 PolarHBondContact O-N 2.8Å; L392-H394 VanDerWaalsContact O-N 3.14Å |
| 395 | L | 93.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -86.1 | -43.2 | -176.1 | -77.7 | 168.8 | 0 | 0 | 0 | 114.6 | I299 V303 L380 L391 L392 P397 L398 L399 V417 I421 | I299-L395 HydrophobicContact CG2-CD2 3.36Å; I299-L395 HydrophobicContact CG2-CG 3.8Å; V303-L395 HydrophobicContact CG2-CD2 3.91Å; L380-L395 HydrophobicContact CD1-CD2 4.34Å; L380-L395 HydrophobicContact CD2-CD2 4.31Å; L391-L395 HydrophobicContact CB-CD1 4.3Å; L391-L395 HydrophobicContact CD2-CD1 3.55Å; L391-L395 HydrophobicContact CG-CD1 3.59Å; L391-L395 HydrophobicContact CG-CG 4.24Å; L391-L395 PolarHBondContact O-N 3.04Å; L392-L395 PolarHBondContact O-N 3.07Å; L392-L395 VanDerWaalsContact O-N 3.16Å; L395-P397 VanDerWaalsContact C-CD 3.44Å; L395-P397 VanDerWaalsContact C-N 3.34Å; L395-L398 WeakPolarHBondContact O-CA 3.45Å; L395-L398 WeakPolarHBondContact O-CB 3.25Å; L395-L398 PolarHBondContact O-N 3.06Å; L395-L399 PolarHBondContact O-N 3.29Å; L395-V417 HydrophobicContact CD2-CG1 4.02Å; L395-I421 HydrophobicContact CD1-CD1 4Å; L395-I421 HydrophobicContact CD1-CG2 3.73Å |
| 396 | L | 93.1 | Very high | 93.9 | Very high | 46 Ų | 46 | 58.4 Ų | 58.4 | 24% | 0.241 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -55.7 | -40.1 | -174 | -70.8 | 172.3 | 0 | 0 | 0 | 113.7 | L392 L398 K400 M429 Y432 | L392-L396 HydrophobicContact CB-CD1 4.15Å; L392-L396 HydrophobicContact CB-CG 4.36Å; L392-L396 WeakPolarHBondContact O-CB 3.48Å; L392-L396 VanDerWaalsContact O-CG 3.3Å; L392-L396 WeakPolarHBondContact O-CG 3.46Å; L392-L396 PolarHBondContact O-N 3.01Å; L396-L398 VanDerWaalsContact C-N 3.3Å; L396-L398 PolarHBondContact O-N 3.22Å; L396-K400 PolarHBondContact O-N 3.42Å; L396-M429 HydrophobicContact CD2-SD 4.11Å; L396-Y432 HydrophobicContact CD1-CE2 3.93Å; L396-Y432 WeakPolarHBondContact CD1-OH 3.39Å; L396-Y432 HydrophobicContact CD2-CD2 4.46Å; L396-Y432 HydrophobicContact CD2-CE2 4.28Å |
| 397 | P | 92.6 | Very high | 94.1 | Very high | 91 Ų | 91 | 62.1 Ų | 62.1 | 59% | 0.591 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -62.1 | -35.8 | 174.7 | -23.1 | 35 | 0 | 0 | 0 | 113.3 | P393 L395 | P393-P397 WeakPolarHBondContact O-CD 3.42Å; L395-P397 VanDerWaalsContact C-CD 3.44Å; L395-P397 VanDerWaalsContact C-N 3.34Å |
| 398 | L | 94.8 | Very high | 94.1 | Very high | 53 Ų | 53 | 64.1 Ų | 64.1 | 28% | 0.277 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -72 | -51.2 | 177.8 | -59.4 | 174.7 | 0 | 0 | 0 | 110.2 | I299 P300 V303 L395 L396 K400 G401 L402 | I299-L398 HydrophobicContact CG2-CD1 4.13Å; P300-L398 HydrophobicContact CB-CD1 4.4Å; P300-L398 HydrophobicContact CG-CD1 4.18Å; V303-L398 HydrophobicContact CB-CD1 4.43Å; V303-L398 HydrophobicContact CG1-CD1 4.46Å; V303-L398 HydrophobicContact CG2-CD1 4.21Å; L395-L398 WeakPolarHBondContact O-CA 3.45Å; L395-L398 WeakPolarHBondContact O-CB 3.25Å; L395-L398 PolarHBondContact O-N 3.06Å; L396-L398 VanDerWaalsContact C-N 3.3Å; L396-L398 PolarHBondContact O-N 3.22Å; L398-K400 VanDerWaalsContact C-N 3.25Å; L398-K400 PolarHBondContact O-N 3.11Å; L398-G401 WeakPolarHBondContact O-CA 3.41Å; L398-G401 PolarHBondContact O-N 2.92Å; L398-L402 HydrophobicContact CB-CD1 4.45Å; L398-L402 WeakPolarHBondContact O-CG 3.38Å; L398-L402 PolarHBondContact O-N 3.42Å; L398-L402 VanDerWaalsContact O-N 3.08Å |
| 399 | L | 93.5 | Very high | 94.1 | Very high | 6 Ų | 6 | 60.4 Ų | 60.4 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -52.2 | -42.4 | -179.3 | -82.6 | 174.2 | 0 | 0 | 0 | 112.7 | L395 G401 L402 L403 G414 V417 L418 I421 | L395-L399 PolarHBondContact O-N 3.29Å; L399-G401 VanDerWaalsContact C-N 3.26Å; L399-G401 PolarHBondContact O-N 2.68Å; L399-L402 PolarHBondContact O-N 3.41Å; L399-L402 VanDerWaalsContact O-N 3.11Å; L399-L403 HydrophobicContact CB-CD1 4.33Å; L399-L403 HydrophobicContact CD2-CD1 4.37Å; L399-L403 HydrophobicContact CD2-CG 4.37Å; L399-L403 WeakPolarHBondContact O-CB 3.45Å; L399-L403 WeakPolarHBondContact O-CG 3.47Å; L399-L403 PolarHBondContact O-N 2.86Å; L399-G414 WeakPolarHBondContact CD2-O 3.39Å; L399-V417 HydrophobicContact CD2-CB 3.92Å; L399-V417 HydrophobicContact CD2-CG1 3.62Å; L399-V417 HydrophobicContact CG-CG1 4.13Å; L399-L418 HydrophobicContact CD2-CB 4.28Å; L399-I421 HydrophobicContact CD1-CD1 4.01Å |
| 400 | K | 89.8 | Confident | 94.3 | Very high | 162 Ų | 162 | 57 Ų | 57 | 70% | 0.704 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -60.1 | -35.5 | 177.9 | -173 | 172.8 | -177.9 | 172.3 | 0 | 113.1 | L396 L398 | L396-K400 PolarHBondContact O-N 3.42Å; L398-K400 VanDerWaalsContact C-N 3.25Å; L398-K400 PolarHBondContact O-N 3.11Å |
| 401 | G | 91.5 | Very high | 94.5 | Very high | 48 Ų | 48 | 53.9 Ų | 53.9 | 50% | 0.495 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -77.3 | -28.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L398 L399 | L398-G401 WeakPolarHBondContact O-CA 3.41Å; L398-G401 PolarHBondContact O-N 2.92Å; L399-G401 VanDerWaalsContact C-N 3.26Å; L399-G401 PolarHBondContact O-N 2.68Å |
| 402 | L | 96.2 | Very high | 94.6 | Very high | 21 Ų | 21 | 53.9 Ų | 53.9 | 11% | 0.11 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -84.2 | -54.1 | -176.1 | -60.5 | 170 | 0 | 0 | 0 | 112.3 | V303 L398 L399 F404 H405 V410 K411 | V303-L402 HydrophobicContact CG1-CD1 3.51Å; L398-L402 HydrophobicContact CB-CD1 4.45Å; L398-L402 WeakPolarHBondContact O-CG 3.38Å; L398-L402 PolarHBondContact O-N 3.42Å; L398-L402 VanDerWaalsContact O-N 3.08Å; L399-L402 PolarHBondContact O-N 3.41Å; L399-L402 VanDerWaalsContact O-N 3.11Å; L402-F404 PolarHBondContact O-N 2.96Å; L402-F404 VanDerWaalsContact O-N 3.08Å; L402-H405 VanDerWaalsContact O-CB 3.26Å; L402-H405 WeakPolarHBondContact O-CB 3.48Å; L402-H405 PolarHBondContact O-N 3.37Å; L402-V410 HydrophobicContact CD2-CG1 3.48Å; L402-V410 VanDerWaalsContact CD2-CG1 3.48Å; L402-K411 WeakPolarHBondContact O-CA 2.98Å |
| 403 | L | 94.8 | Very high | 94.7 | Very high | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -28.8 | -170.2 | -70.9 | 171.2 | 0 | 0 | 0 | 114.2 | L399 K411 G414 I415 L418 L436 H439 | L399-L403 HydrophobicContact CB-CD1 4.33Å; L399-L403 HydrophobicContact CD2-CD1 4.37Å; L399-L403 HydrophobicContact CD2-CG 4.37Å; L399-L403 WeakPolarHBondContact O-CB 3.45Å; L399-L403 WeakPolarHBondContact O-CG 3.47Å; L399-L403 PolarHBondContact O-N 2.86Å; L403-K411 WeakPolarHBondContact O-CG 3.34Å; L403-G414 WeakPolarHBondContact CD2-O 3.19Å; L403-I415 HydrophobicContact CD2-CG1 3.96Å; L403-L418 HydrophobicContact CD1-CD2 4.34Å; L403-L418 HydrophobicContact CD2-CD2 4.25Å; L403-L436 HydrophobicContact CD1-CD2 3.82Å; L403-H439 PolarHBondContact O-NE2 2.98Å |
| 404 | F | 92.7 | Very high | 94.9 | Very high | 110 Ų | 110 | 49.2 Ų | 49.2 | 48% | 0.482 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 11.4 | -178.4 | -56.6 | -78.9 | 0 | 0 | 0 | 113 | L402 H439 | L402-F404 PolarHBondContact O-N 2.96Å; L402-F404 VanDerWaalsContact O-N 3.08Å; F404-H439 AromaticContact CD1-CE1 3.71Å; F404-H439 AromaticContact CD1-NE2 3.78Å; F404-H439 AromaticContact CE1-CD2 3.75Å; F404-H439 AromaticContact CE1-CE1 3.5Å; F404-H439 VanDerWaalsContact CE1-CE1 3.5Å; F404-H439 WeakPolarHBondContact CE1-CE1 3.49Å; F404-H439 AromaticContact CE1-CG 3.82Å; F404-H439 AromaticContact CE1-ND1 3.68Å; F404-H439 AromaticContact CE1-NE2 3.53Å |
| 405 | H | 95.9 | Very high | 95.1 | Very high | 60 Ų | 60 | 46.3 Ų | 46.3 | 28% | 0.278 | 25% | 0.248 | S | C | . | . | trans | -66.7 | 140.6 | -179.2 | -160.6 | -94.1 | 0 | 0 | 0 | 111.1 | L402 E407 V410 K411 | L402-H405 VanDerWaalsContact O-CB 3.26Å; L402-H405 WeakPolarHBondContact O-CB 3.48Å; L402-H405 PolarHBondContact O-N 3.37Å; H405-E407 VanDerWaalsContact C-N 3.34Å; H405-E407 IonicContact CE1-OE2 2.79Å; H405-E407 WeakPolarHBondContact ND1-CB 3.36Å; H405-E407 PolarHBondContact ND1-N 2.81Å; H405-E407 VanDerWaalsContact ND1-N 3.16Å; H405-E407 PolarHBondContact O-N 2.98Å; H405-V410 HydrophobicContact CB-CB 3.95Å; H405-V410 HydrophobicContact CB-CG1 3.68Å; H405-V410 WeakPolarHBondContact ND1-CB 3.37Å; H405-K411 VanDerWaalsContact O-CE 3.29Å; H405-K411 WeakPolarHBondContact O-CE 3.47Å | ||
| 406 | P | 94.3 | Very high | 95.2 | Very high | 118 Ų | 118 | 47.1 Ų | 47.1 | 77% | 0.766 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -69.9 | -29.6 | -180 | 26.7 | -35.7 | 0 | 0 | 0 | 113.4 | ||
| 407 | E | 96.4 | Very high | 95.5 | Very high | 122 Ų | 122 | 45 Ų | 45 | 57% | 0.57 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -78.7 | 126.1 | 175.7 | -60.9 | 178.1 | 174 | 0 | 0 | 110.5 | H405 V409 V410 K411 | H405-E407 VanDerWaalsContact C-N 3.34Å; H405-E407 IonicContact CE1-OE2 2.79Å; H405-E407 WeakPolarHBondContact ND1-CB 3.36Å; H405-E407 PolarHBondContact ND1-N 2.81Å; H405-E407 VanDerWaalsContact ND1-N 3.16Å; H405-E407 PolarHBondContact O-N 2.98Å; E407-V409 VanDerWaalsContact C-N 3.33Å; E407-V409 PolarHBondContact O-N 2.93Å; E407-V410 HydrophobicContact CB-CG2 4.3Å; E407-V410 PolarHBondContact O-N 3.31Å; E407-K411 PolarHBondContact O-N 2.97Å |
| 408 | W | 95.5 | Very high | 95.7 | Very high | 45 Ų | 45 | 40.7 Ų | 40.7 | 17% | 0.17 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.9 | -36.1 | -172.3 | 75.6 | -91.6 | 0 | 0 | 0 | 112.5 | Y308 I313 V410 K411 E412 K448 L450 V451 | Y308-W408 HydrophobicContact CD2-CZ3 4.3Å; I313-W408 HydrophobicContact CD1-CH2 4.1Å; I313-W408 HydrophobicContact CD1-CZ2 3.97Å; I313-W408 HydrophobicContact CG1-CH2 4Å; I313-W408 HydrophobicContact CG1-CZ2 4.21Å; I313-W408 HydrophobicContact CG2-CH2 4.46Å; I313-W408 HydrophobicContact CG2-CZ2 4.14Å; W408-V410 VanDerWaalsContact C-N 3.32Å; W408-V410 PolarHBondContact O-N 2.93Å; W408-K411 PolarHBondContact O-N 3.18Å; W408-E412 HydrophobicContact CE3-CB 4.2Å; W408-E412 HydrophobicContact CE3-CG 4.43Å; W408-E412 HydrophobicContact CZ3-CB 4.5Å; W408-E412 HydrophobicContact CZ3-CG 4.34Å; W408-E412 WeakPolarHBondContact O-CB 3.48Å; W408-E412 PolarHBondContact O-N 3.28Å; W408-K448 HydrophobicContact CB-CB 4.42Å; W408-K448 HydrophobicContact CB-CG 4Å; W408-K448 HydrophobicContact CD2-CG 4.21Å; W408-K448 HydrophobicContact CG-CB 4.47Å; W408-K448 HydrophobicContact CG-CG 3.83Å; W408-L450 HydrophobicContact CE3-CB 4.43Å; W408-L450 HydrophobicContact CH2-CB 4.37Å; W408-L450 HydrophobicContact CH2-CD1 3.43Å; W408-L450 VanDerWaalsContact CH2-CD1 3.43Å; W408-L450 HydrophobicContact CZ2-CD1 4.46Å; W408-L450 HydrophobicContact CZ3-CB 3.75Å; W408-L450 HydrophobicContact CZ3-CD1 3.68Å; W408-L450 HydrophobicContact CZ3-CG 4.36Å; W408-V451 HydrophobicContact CB-CG2 3.94Å; W408-V451 HydrophobicContact CE3-CG2 4.12Å |
| 409 | V | 96.1 | Very high | 95.8 | Very high | 32 Ų | 32 | 38.1 Ų | 38.1 | 19% | 0.194 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.5 | -42.1 | 179.3 | -178.4 | 0 | 0 | 0 | 0 | 111.3 | K307 I313 E407 S413 | K307-V409 HydrophobicContact CB-CG1 4.24Å; I313-V409 HydrophobicContact CD1-CG2 3.9Å; E407-V409 VanDerWaalsContact C-N 3.33Å; E407-V409 PolarHBondContact O-N 2.93Å; V409-S413 PolarHBondContact O-N 2.93Å; V409-S413 VanDerWaalsContact O-N 3.1Å; V409-S413 PolarHBondContact O-OG 3.33Å |
| 410 | V | 97.2 | Very high | 95.8 | Very high | 18 Ų | 18 | 38 Ų | 38 | 11% | 0.109 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.5 | -44.3 | 178.1 | -177.7 | 0 | 0 | 0 | 0 | 110.4 | L402 H405 E407 W408 S413 G414 | L402-V410 HydrophobicContact CD2-CG1 3.48Å; L402-V410 VanDerWaalsContact CD2-CG1 3.48Å; H405-V410 HydrophobicContact CB-CB 3.95Å; H405-V410 HydrophobicContact CB-CG1 3.68Å; H405-V410 WeakPolarHBondContact ND1-CB 3.37Å; E407-V410 HydrophobicContact CB-CG2 4.3Å; E407-V410 PolarHBondContact O-N 3.31Å; W408-V410 VanDerWaalsContact C-N 3.32Å; W408-V410 PolarHBondContact O-N 2.93Å; V410-S413 PolarHBondContact O-N 3.14Å; V410-S413 PolarHBondContact O-OG 3.04Å; V410-G414 PolarHBondContact O-N 3.31Å; V410-G414 VanDerWaalsContact O-N 3.11Å |
| 411 | K | 97.6 | Very high | 96.1 | Very high | 37 Ų | 37 | 30.2 Ų | 30.2 | 16% | 0.161 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.8 | -50.2 | 176.2 | -171.3 | -166.8 | -59.9 | -177.9 | 0 | 111.9 | L402 L403 H405 E407 W408 S413 G414 I415 D446 V451 | L402-K411 WeakPolarHBondContact O-CA 2.98Å; L403-K411 WeakPolarHBondContact O-CG 3.34Å; H405-K411 VanDerWaalsContact O-CE 3.29Å; H405-K411 WeakPolarHBondContact O-CE 3.47Å; E407-K411 PolarHBondContact O-N 2.97Å; W408-K411 PolarHBondContact O-N 3.18Å; K411-S413 PolarHBondContact O-N 3.37Å; K411-G414 WeakPolarHBondContact O-CA 3.5Å; K411-G414 PolarHBondContact O-N 3.13Å; K411-I415 HydrophobicContact CG-CD1 4.26Å; K411-I415 WeakPolarHBondContact O-CG1 3.37Å; K411-I415 PolarHBondContact O-N 3.36Å; K411-D446 IonicContact NZ-OD2 3.32Å; K411-D446 PolarHBondContact NZ-OD2 3.32Å; K411-V451 HydrophobicContact CD-CG1 4.29Å |
| 412 | E | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -56.9 | -48.4 | 179.5 | -170.4 | -66.6 | 142.3 | 0 | 0 | 110.3 | Y308 R373 W408 G414 I415 L416 V451 I454 | Y308-E412 HydrophobicContact CE2-CG 4.22Å; R373-E412 IonicContact CZ-OE1 2.84Å; R373-E412 IonicContact CZ-OE2 2.74Å; R373-E412 IonicContact NH1-OE1 2.76Å; R373-E412 IonicContact NH1-OE2 2.8Å; R373-E412 PolarHBondContact NH1-OE2 3.48Å; R373-E412 IonicContact NH2-OE1 2.72Å; R373-E412 PolarHBondContact NH2-OE1 3.1Å; R373-E412 IonicContact NH2-OE2 2.7Å; R373-E412 PolarHBondContact NH2-OE2 3.21Å; R373-E412 VanDerWaalsContact NH2-OE2 3.08Å; W408-E412 HydrophobicContact CE3-CB 4.2Å; W408-E412 HydrophobicContact CE3-CG 4.43Å; W408-E412 HydrophobicContact CZ3-CB 4.5Å; W408-E412 HydrophobicContact CZ3-CG 4.34Å; W408-E412 WeakPolarHBondContact O-CB 3.48Å; W408-E412 PolarHBondContact O-N 3.28Å; E412-G414 VanDerWaalsContact C-N 3.25Å; E412-G414 PolarHBondContact O-N 3.48Å; E412-I415 PolarHBondContact O-N 3Å; E412-L416 PolarHBondContact O-N 3.11Å; E412-V451 HydrophobicContact CB-CG2 4.18Å; E412-I454 HydrophobicContact CG-CG2 3.76Å; E412-I454 WeakPolarHBondContact OE1-CB 3.36Å; E412-I454 WeakPolarHBondContact OE1-CG2 3.33Å |
| 413 | S | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.5 | -34.3 | 175.5 | 69.2 | 0 | 0 | 0 | 0 | 113 | V409 V410 K411 L416 V417 | V409-S413 PolarHBondContact O-N 2.93Å; V409-S413 VanDerWaalsContact O-N 3.1Å; V409-S413 PolarHBondContact O-OG 3.33Å; V410-S413 PolarHBondContact O-N 3.14Å; V410-S413 PolarHBondContact O-OG 3.04Å; K411-S413 PolarHBondContact O-N 3.37Å; S413-L416 PolarHBondContact O-N 3.12Å; S413-V417 WeakPolarHBondContact O-CG2 3.35Å; S413-V417 PolarHBondContact O-N 3.42Å |
| 414 | G | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.2 | -37.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L399 L403 V410 K411 E412 L418 | L399-G414 WeakPolarHBondContact CD2-O 3.39Å; L403-G414 WeakPolarHBondContact CD2-O 3.19Å; V410-G414 PolarHBondContact O-N 3.31Å; V410-G414 VanDerWaalsContact O-N 3.11Å; K411-G414 WeakPolarHBondContact O-CA 3.5Å; K411-G414 PolarHBondContact O-N 3.13Å; E412-G414 VanDerWaalsContact C-N 3.25Å; E412-G414 PolarHBondContact O-N 3.48Å; G414-L418 PolarHBondContact O-N 3.47Å; G414-L418 VanDerWaalsContact O-N 3.08Å |
| 415 | I | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68.2 | -45.1 | 175.8 | -62.8 | 168.5 | 0 | 0 | 0 | 109.4 | L403 K411 E412 V417 L418 G419 L440 C443 V451 I454 T458 | L403-I415 HydrophobicContact CD2-CG1 3.96Å; K411-I415 HydrophobicContact CG-CD1 4.26Å; K411-I415 WeakPolarHBondContact O-CG1 3.37Å; K411-I415 PolarHBondContact O-N 3.36Å; E412-I415 PolarHBondContact O-N 3Å; I415-V417 PolarHBondContact O-N 3.06Å; I415-L418 WeakPolarHBondContact O-CB 3.37Å; I415-L418 PolarHBondContact O-N 3.3Å; I415-L418 VanDerWaalsContact O-N 3.1Å; I415-G419 PolarHBondContact O-N 3.27Å; I415-L440 HydrophobicContact CG1-CD2 4.07Å; I415-L440 HydrophobicContact CG2-CD2 3.81Å; I415-C443 HydrophobicContact CD1-CB 4.25Å; I415-V451 HydrophobicContact CD1-CG1 3.96Å; I415-I454 HydrophobicContact CB-CG1 4.48Å; I415-I454 HydrophobicContact CB-CG2 3.99Å; I415-I454 HydrophobicContact CD1-CG2 4.38Å; I415-I454 HydrophobicContact CG2-CB 4.46Å; I415-I454 HydrophobicContact CG2-CG1 4.1Å; I415-I454 HydrophobicContact CG2-CG2 3.82Å; I415-T458 HydrophobicContact CG2-CG2 4.08Å; I415-T458 VanDerWaalsContact CG2-OG1 3.26Å; I415-T458 WeakPolarHBondContact CG2-OG1 3.32Å; I415-T458 PolarHBondContact O-OG1 3.19Å; I415-T458 VanDerWaalsContact O-OG1 3.09Å |
| 416 | L | 97.4 | Very high | 95.4 | Very high | 16 Ų | 16 | 23.6 Ų | 23.6 | 8% | 0.084 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -56.6 | -47.6 | 173.5 | 176.2 | 64.3 | 0 | 0 | 0 | 111.9 | M306 R373 A377 E412 S413 L418 G419 A420 I454 W457 | M306-L416 HydrophobicContact CB-CD2 4.12Å; M306-L416 HydrophobicContact CE-CB 4.32Å; M306-L416 HydrophobicContact CE-CD2 3.76Å; M306-L416 HydrophobicContact CE-CG 3.53Å; M306-L416 HydrophobicContact CG-CD2 4.5Å; R373-L416 HydrophobicContact CG-CD2 4.5Å; A377-L416 HydrophobicContact CB-CD1 4.47Å; A377-L416 HydrophobicContact CB-CD2 4.21Å; E412-L416 PolarHBondContact O-N 3.11Å; S413-L416 PolarHBondContact O-N 3.12Å; L416-L418 VanDerWaalsContact C-N 3.27Å; L416-L418 PolarHBondContact O-N 3.25Å; L416-G419 PolarHBondContact O-N 3.12Å; L416-A420 WeakPolarHBondContact O-CB 3.41Å; L416-A420 PolarHBondContact O-N 3.29Å; L416-I454 HydrophobicContact CB-CD1 4Å; L416-I454 HydrophobicContact CB-CG1 3.96Å; L416-I454 HydrophobicContact CD1-CD1 3.69Å; L416-I454 HydrophobicContact CG-CD1 4.41Å; L416-W457 HydrophobicContact CD1-CE3 4.41Å; L416-W457 HydrophobicContact CD1-CH2 4.23Å; L416-W457 HydrophobicContact CD1-CZ3 3.79Å |
| 417 | V | 98.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.6 | -41.1 | 175.9 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | V303 M306 L380 L395 L399 S413 I415 G419 A420 I421 | V303-V417 HydrophobicContact CB-CG2 4.42Å; V303-V417 HydrophobicContact CG1-CG2 4.11Å; V303-V417 HydrophobicContact CG2-CG1 4.34Å; V303-V417 HydrophobicContact CG2-CG2 3.99Å; M306-V417 HydrophobicContact CE-CB 4.21Å; M306-V417 HydrophobicContact CE-CG2 3.51Å; M306-V417 HydrophobicContact SD-CG2 3.58Å; M306-V417 VanDerWaalsContact SD-CG2 3.58Å; L380-V417 HydrophobicContact CD2-CG1 3.98Å; L380-V417 HydrophobicContact CD2-CG2 4.3Å; L395-V417 HydrophobicContact CD2-CG1 4.02Å; L399-V417 HydrophobicContact CD2-CB 3.92Å; L399-V417 HydrophobicContact CD2-CG1 3.62Å; L399-V417 HydrophobicContact CG-CG1 4.13Å; S413-V417 WeakPolarHBondContact O-CG2 3.35Å; S413-V417 PolarHBondContact O-N 3.42Å; I415-V417 PolarHBondContact O-N 3.06Å; V417-G419 VanDerWaalsContact C-N 3.32Å; V417-G419 PolarHBondContact O-N 2.82Å; V417-A420 PolarHBondContact O-N 2.9Å; V417-I421 WeakPolarHBondContact O-CG1 3.4Å; V417-I421 WeakPolarHBondContact O-CG2 3.49Å; V417-I421 PolarHBondContact O-N 2.95Å |
| 418 | L | 97.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.9 | -36.6 | 179.6 | 179.2 | 60.8 | 0 | 0 | 0 | 112.3 | L399 L403 G414 I415 L416 M429 L436 L440 T458 Y462 | L399-L418 HydrophobicContact CD2-CB 4.28Å; L403-L418 HydrophobicContact CD1-CD2 4.34Å; L403-L418 HydrophobicContact CD2-CD2 4.25Å; G414-L418 PolarHBondContact O-N 3.47Å; G414-L418 VanDerWaalsContact O-N 3.08Å; I415-L418 WeakPolarHBondContact O-CB 3.37Å; I415-L418 PolarHBondContact O-N 3.3Å; I415-L418 VanDerWaalsContact O-N 3.1Å; L416-L418 VanDerWaalsContact C-N 3.27Å; L416-L418 PolarHBondContact O-N 3.25Å; L418-M429 HydrophobicContact CD1-CE 3.38Å; L418-L436 HydrophobicContact CD1-CD1 3.98Å; L418-L436 HydrophobicContact CD2-CB 4.48Å; L418-L436 HydrophobicContact CD2-CD1 4.3Å; L418-L440 HydrophobicContact CD2-CD1 3.82Å; L418-L440 HydrophobicContact CD2-CD2 4.28Å; L418-L440 HydrophobicContact CD2-CG 4.28Å; L418-T458 HydrophobicContact CB-CG2 4.25Å; L418-T458 HydrophobicContact CD2-CG2 4.38Å; L418-T458 HydrophobicContact CG-CG2 4.15Å; L418-Y462 HydrophobicContact CD1-CE2 4.37Å; L418-Y462 HydrophobicContact CG-CE2 4.15Å; L418-Y462 WeakPolarHBondContact O-CE2 3.46Å; L418-Y462 PolarHBondContact O-OH 3.38Å |
| 419 | G | 95.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -73.6 | -43.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | I415 L416 V417 I421 A422 | I415-G419 PolarHBondContact O-N 3.27Å; L416-G419 PolarHBondContact O-N 3.12Å; V417-G419 VanDerWaalsContact C-N 3.32Å; V417-G419 PolarHBondContact O-N 2.82Å; G419-I421 PolarHBondContact O-N 3.31Å; G419-A422 WeakPolarHBondContact O-CB 3.46Å; G419-A422 PolarHBondContact O-N 2.84Å |
| 420 | A | 94.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 16.3 Ų | 16.3 | 2% | 0.017 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.3 | -27.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | M306 D381 L416 V417 | M306-A420 HydrophobicContact CE-CB 4.2Å; D381-A420 WeakPolarHBondContact CA-O 3.46Å; D381-A420 WeakPolarHBondContact CB-O 3.4Å; L416-A420 WeakPolarHBondContact O-CB 3.41Å; L416-A420 PolarHBondContact O-N 3.29Å; V417-A420 PolarHBondContact O-N 2.9Å |
| 421 | I | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -0.6 | 179 | 69.9 | 178.1 | 0 | 0 | 0 | 113.6 | L380 A384 L392 L395 L399 V417 G419 E423 C425 M429 | L380-I421 HydrophobicContact CD2-CG2 4.14Å; L380-I421 HydrophobicContact CG-CG2 4.07Å; A384-I421 HydrophobicContact CB-CB 4.1Å; A384-I421 HydrophobicContact CB-CG2 4.16Å; L392-I421 HydrophobicContact CD2-CD1 4.28Å; L395-I421 HydrophobicContact CD1-CD1 4Å; L395-I421 HydrophobicContact CD1-CG2 3.73Å; L399-I421 HydrophobicContact CD1-CD1 4.01Å; V417-I421 WeakPolarHBondContact O-CG1 3.4Å; V417-I421 WeakPolarHBondContact O-CG2 3.49Å; V417-I421 PolarHBondContact O-N 2.95Å; G419-I421 PolarHBondContact O-N 3.31Å; I421-E423 PolarHBondContact O-N 2.94Å; I421-C425 HydrophobicContact CB-CB 4.39Å; I421-C425 VanDerWaalsContact O-CB 3.23Å; I421-C425 WeakPolarHBondContact O-CB 3.4Å; I421-C425 PolarHBondContact O-N 3.25Å; I421-M429 HydrophobicContact CD1-SD 4.32Å |
| 422 | A | 93.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.3 | -46.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 112 | G419 M426 R461 Y462 | G419-A422 WeakPolarHBondContact O-CB 3.46Å; G419-A422 PolarHBondContact O-N 2.84Å; A422-M426 WeakPolarHBondContact O-CA 3.11Å; A422-M426 WeakPolarHBondContact O-CB 3.18Å; A422-M426 PolarHBondContact O-N 3.26Å; A422-R461 HydrophobicContact CB-CB 3.8Å; A422-Y462 WeakPolarHBondContact CA-OH 3.46Å; A422-Y462 HydrophobicContact CB-CD1 4.36Å; A422-Y462 HydrophobicContact CB-CD2 4.22Å; A422-Y462 HydrophobicContact CB-CE1 3.78Å; A422-Y462 HydrophobicContact CB-CE2 3.63Å |
| 423 | E | 85.9 | Confident | 95 | Very high | 58 Ų | 58 | 23.2 Ų | 23.2 | 27% | 0.271 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -66.3 | -59.9 | -176 | -171.2 | 171.4 | 165.1 | 0 | 0 | 111.6 | S355 I421 C425 R461 | S355-E423 PolarHBondContact OG-OE1 3.28Å; I421-E423 PolarHBondContact O-N 2.94Å; E423-C425 PolarHBondContact O-N 2.59Å; E423-R461 IonicContact OE2-CZ 3.04Å; E423-R461 IonicContact OE2-NH2 2.66Å; E423-R461 PolarHBondContact OE2-NH2 2.64Å |
| 424 | G | 88.8 | Confident | 95 | Very high | 8 Ų | 8 | 26.6 Ų | 26.6 | 8% | 0.082 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69 | -30.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | A384 N385 R388 | A384-G424 CarbonylContact O-C 3.42Å; A384-G424 WeakPolarHBondContact O-CA 3.32Å; N385-G424 WeakPolarHBondContact OD1-CA 3.47Å; N385-G424 PolarHBondContact OD1-N 2.92Å; N385-G424 VanDerWaalsContact OD1-N 3.12Å; R388-G424 WeakPolarHBondContact CA-O 3.41Å; R388-G424 WeakPolarHBondContact CB-O 3.33Å |
| 425 | C | 94.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -107.2 | 9 | -176.4 | -61.6 | 0 | 0 | 0 | 0 | 114.6 | R388 L392 I421 E423 Q427 G428 M429 | R388-C425 PolarHBondContact O-SG 3.32Å; L392-C425 HydrophobicContact CD1-CB 4.45Å; L392-C425 HydrophobicContact CD2-CB 3.81Å; L392-C425 HydrophobicContact CG-CB 4.2Å; I421-C425 HydrophobicContact CB-CB 4.39Å; I421-C425 VanDerWaalsContact O-CB 3.23Å; I421-C425 WeakPolarHBondContact O-CB 3.4Å; I421-C425 PolarHBondContact O-N 3.25Å; E423-C425 PolarHBondContact O-N 2.59Å; C425-Q427 VanDerWaalsContact C-N 3.35Å; C425-Q427 PolarHBondContact O-N 3.23Å; C425-G428 PolarHBondContact O-N 3.36Å; C425-G428 VanDerWaalsContact O-N 3.1Å; C425-M429 HydrophobicContact CB-CG 4.17Å; C425-M429 WeakPolarHBondContact O-CG 3.34Å; C425-M429 PolarHBondContact O-N 3.5Å |
| 426 | M | 92.5 | Very high | 94.8 | Very high | 37 Ų | 37 | 34.5 Ų | 34.5 | 18% | 0.182 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -45.7 | -53.6 | -172.6 | -179 | 57.2 | 67.1 | 0 | 0 | 113.1 | A422 G428 M429 V430 L433 Y462 | A422-M426 WeakPolarHBondContact O-CA 3.11Å; A422-M426 WeakPolarHBondContact O-CB 3.18Å; A422-M426 PolarHBondContact O-N 3.26Å; M426-G428 VanDerWaalsContact C-N 3.34Å; M426-G428 PolarHBondContact O-N 2.85Å; M426-M429 PolarHBondContact O-N 3.13Å; M426-V430 WeakPolarHBondContact O-CG2 3.43Å; M426-V430 PolarHBondContact O-N 2.69Å; M426-L433 HydrophobicContact SD-CD1 4.19Å; M426-Y462 HydrophobicContact CE-CD1 3.45Å; M426-Y462 VanDerWaalsContact CE-CD1 3.45Å; M426-Y462 HydrophobicContact CE-CE1 3.75Å; M426-Y462 HydrophobicContact CE-CG 4.39Å; M426-Y462 HydrophobicContact SD-CD1 3.82Å; M426-Y462 HydrophobicContact SD-CE1 4.01Å |
| 427 | Q | 91.3 | Very high | 94.8 | Very high | 98 Ų | 98 | 33.8 Ų | 33.8 | 46% | 0.458 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.8 | -40.2 | -174.5 | -64.6 | -57.9 | -40.8 | 0 | 0 | 112.7 | C425 M429 | C425-Q427 VanDerWaalsContact C-N 3.35Å; C425-Q427 PolarHBondContact O-N 3.23Å; Q427-M429 VanDerWaalsContact C-N 3.31Å |
| 428 | G | 93.9 | Very high | 94.8 | Very high | 17 Ų | 17 | 36 Ų | 36 | 18% | 0.175 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -74.7 | -20.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | C425 M426 P431 Y432 | C425-G428 PolarHBondContact O-N 3.36Å; C425-G428 VanDerWaalsContact O-N 3.1Å; M426-G428 VanDerWaalsContact C-N 3.34Å; M426-G428 PolarHBondContact O-N 2.85Å; G428-P431 WeakPolarHBondContact O-CD 2.99Å; G428-Y432 WeakPolarHBondContact O-CE2 3.38Å |
| 429 | M | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -84.8 | -26.4 | 177.2 | -72.5 | -59.1 | -65.4 | 0 | 0 | 113.8 | L392 L396 L418 I421 C425 M426 Q427 P431 Y432 L433 L436 Y462 | L392-M429 HydrophobicContact CD2-CG 4.02Å; L392-M429 HydrophobicContact CD2-SD 3.55Å; L392-M429 VanDerWaalsContact CD2-SD 3.55Å; L396-M429 HydrophobicContact CD2-SD 4.11Å; L418-M429 HydrophobicContact CD1-CE 3.38Å; I421-M429 HydrophobicContact CD1-SD 4.32Å; C425-M429 HydrophobicContact CB-CG 4.17Å; C425-M429 WeakPolarHBondContact O-CG 3.34Å; C425-M429 PolarHBondContact O-N 3.5Å; M426-M429 PolarHBondContact O-N 3.13Å; Q427-M429 VanDerWaalsContact C-N 3.31Å; M429-P431 VanDerWaalsContact C-N 3.29Å; M429-P431 VanDerWaalsContact O-N 3.09Å; M429-Y432 PolarHBondContact O-N 3.34Å; M429-Y432 HydrophobicContact SD-CD2 4.34Å; M429-L433 PolarHBondContact O-N 2.94Å; M429-L436 HydrophobicContact CE-CD1 3.66Å; M429-Y462 HydrophobicContact CB-CE1 4.48Å |
| 430 | V | 95.9 | Very high | 94.9 | Very high | 49 Ų | 49 | 37.5 Ų | 37.5 | 30% | 0.297 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -43.3 | -43.8 | 178.7 | 168.2 | 0 | 0 | 0 | 0 | 114.3 | M426 Y432 L433 P434 | M426-V430 WeakPolarHBondContact O-CG2 3.43Å; M426-V430 PolarHBondContact O-N 2.69Å; V430-Y432 PolarHBondContact O-N 3.37Å; V430-Y432 VanDerWaalsContact O-N 3.15Å; V430-L433 HydrophobicContact CG2-CD1 4.42Å; V430-L433 PolarHBondContact O-N 3.03Å; V430-P434 VanDerWaalsContact O-CD 3.31Å; V430-P434 WeakPolarHBondContact O-CD 3.46Å |
| 431 | P | 96.6 | Very high | 95 | Very high | 95 Ų | 95 | 38.2 Ų | 38.2 | 62% | 0.617 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -23 | 178.7 | -24.8 | 36.1 | 0 | 0 | 0 | 114.9 | G428 M429 | G428-P431 WeakPolarHBondContact O-CD 2.99Å; M429-P431 VanDerWaalsContact C-N 3.29Å; M429-P431 VanDerWaalsContact O-N 3.09Å |
| 432 | Y | 96 | Very high | 95.1 | Very high | 103 Ų | 103 | 44.7 Ų | 44.7 | 40% | 0.404 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -21 | -176.9 | -51.9 | -79.7 | 0 | 0 | 0 | 112.9 | L396 G428 M429 V430 P434 E435 L436 | L396-Y432 HydrophobicContact CD1-CE2 3.93Å; L396-Y432 WeakPolarHBondContact CD1-OH 3.39Å; L396-Y432 HydrophobicContact CD2-CD2 4.46Å; L396-Y432 HydrophobicContact CD2-CE2 4.28Å; G428-Y432 WeakPolarHBondContact O-CE2 3.38Å; M429-Y432 PolarHBondContact O-N 3.34Å; M429-Y432 HydrophobicContact SD-CD2 4.34Å; V430-Y432 PolarHBondContact O-N 3.37Å; V430-Y432 VanDerWaalsContact O-N 3.15Å; Y432-P434 VanDerWaalsContact C-CD 3.41Å; Y432-E435 PolarHBondContact O-N 3.03Å; Y432-L436 WeakPolarHBondContact O-CG 3.41Å; Y432-L436 PolarHBondContact O-N 2.84Å |
| 433 | L | 96.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.1 | -36.1 | -178.5 | -61.7 | -176.7 | 0 | 0 | 0 | 114.9 | M426 M429 V430 E435 L436 I437 Y462 W465 | M426-L433 HydrophobicContact SD-CD1 4.19Å; M429-L433 PolarHBondContact O-N 2.94Å; V430-L433 HydrophobicContact CG2-CD1 4.42Å; V430-L433 PolarHBondContact O-N 3.03Å; L433-E435 PolarHBondContact O-N 3.48Å; L433-E435 VanDerWaalsContact O-N 3.12Å; L433-L436 PolarHBondContact O-N 3.5Å; L433-I437 HydrophobicContact CB-CG1 4.14Å; L433-I437 HydrophobicContact CD2-CD1 4.42Å; L433-I437 HydrophobicContact CD2-CG1 4.41Å; L433-I437 WeakPolarHBondContact O-CB 3.26Å; L433-I437 WeakPolarHBondContact O-CG1 3.47Å; L433-I437 PolarHBondContact O-N 3.41Å; L433-Y462 HydrophobicContact CD1-CD1 3.83Å; L433-Y462 HydrophobicContact CD1-CE1 4.26Å; L433-Y462 HydrophobicContact CD2-CD1 3.62Å; L433-Y462 HydrophobicContact CD2-CE1 3.62Å; L433-Y462 HydrophobicContact CD2-CG 4.22Å; L433-Y462 HydrophobicContact CG-CD1 4.4Å; L433-W465 HydrophobicContact CB-CD2 3.94Å; L433-W465 HydrophobicContact CB-CE3 4Å; L433-W465 HydrophobicContact CB-CH2 3.81Å; L433-W465 HydrophobicContact CB-CZ2 3.73Å; L433-W465 HydrophobicContact CB-CZ3 3.95Å; L433-W465 HydrophobicContact CD1-CB 3.98Å; L433-W465 HydrophobicContact CD1-CD2 3.53Å; L433-W465 HydrophobicContact CD1-CE3 4.09Å; L433-W465 HydrophobicContact CD1-CG 3.45Å; L433-W465 VanDerWaalsContact CD1-CG 3.45Å; L433-W465 HydrophobicContact CG-CD2 4.38Å |
| 434 | P | 96.8 | Very high | 95.9 | Very high | 72 Ų | 72 | 42.2 Ų | 42.2 | 47% | 0.468 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.5 | -25.2 | 175.5 | -27.6 | 36 | 0 | 0 | 0 | 114.6 | V430 Y432 P438 W465 | V430-P434 VanDerWaalsContact O-CD 3.31Å; V430-P434 WeakPolarHBondContact O-CD 3.46Å; Y432-P434 VanDerWaalsContact C-CD 3.41Å; P434-P438 VanDerWaalsContact O-CD 3.28Å; P434-P438 WeakPolarHBondContact O-CD 3.12Å; P434-P438 VanDerWaalsContact O-CG 3.3Å; P434-P438 WeakPolarHBondContact O-CG 3.44Å; P434-W465 HydrophobicContact CG-CH2 4.26Å; P434-W465 HydrophobicContact CG-CZ2 4.07Å |
| 435 | E | 95.4 | Very high | 96.3 | Very high | 145 Ų | 145 | 45.5 Ų | 45.5 | 68% | 0.678 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -95.9 | -41.5 | 174.9 | -174.1 | 177.3 | 176.5 | 0 | 0 | 111.6 | Y432 L433 H439 | Y432-E435 PolarHBondContact O-N 3.03Å; L433-E435 PolarHBondContact O-N 3.48Å; L433-E435 VanDerWaalsContact O-N 3.12Å; E435-H439 PolarHBondContact O-N 3.37Å |
| 436 | L | 96.8 | Very high | 96.4 | Very high | 21 Ų | 21 | 46.8 Ų | 46.8 | 11% | 0.11 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.6 | -42.5 | -175.2 | -66.3 | 175.4 | 0 | 0 | 0 | 113.1 | L403 L418 M429 Y432 L433 H439 L440 | L403-L436 HydrophobicContact CD1-CD2 3.82Å; L418-L436 HydrophobicContact CD1-CD1 3.98Å; L418-L436 HydrophobicContact CD2-CB 4.48Å; L418-L436 HydrophobicContact CD2-CD1 4.3Å; M429-L436 HydrophobicContact CE-CD1 3.66Å; Y432-L436 WeakPolarHBondContact O-CG 3.41Å; Y432-L436 PolarHBondContact O-N 2.84Å; L433-L436 PolarHBondContact O-N 3.5Å; L436-H439 WeakPolarHBondContact O-CB 3.28Å; L436-H439 PolarHBondContact O-N 3.01Å; L436-H439 VanDerWaalsContact O-N 3.16Å; L436-L440 WeakPolarHBondContact O-CG 3.33Å; L436-L440 PolarHBondContact O-N 3.33Å |
| 437 | I | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.2 | -49 | -178.2 | -63.6 | -61.8 | 0 | 0 | 0 | 111.5 | L433 H439 L440 I441 L459 Y462 W465 V466 | L433-I437 HydrophobicContact CB-CG1 4.14Å; L433-I437 HydrophobicContact CD2-CD1 4.42Å; L433-I437 HydrophobicContact CD2-CG1 4.41Å; L433-I437 WeakPolarHBondContact O-CB 3.26Å; L433-I437 WeakPolarHBondContact O-CG1 3.47Å; L433-I437 PolarHBondContact O-N 3.41Å; I437-H439 PolarHBondContact O-N 3.45Å; I437-L440 HydrophobicContact CD1-CD1 4.41Å; I437-L440 PolarHBondContact O-N 2.87Å; I437-I441 HydrophobicContact CG2-CD1 3.96Å; I437-I441 HydrophobicContact CG2-CG1 4.47Å; I437-I441 WeakPolarHBondContact O-CG1 3.19Å; I437-I441 PolarHBondContact O-N 2.78Å; I437-L459 HydrophobicContact CD1-CD2 4.13Å; I437-L459 HydrophobicContact CG2-CD2 4.24Å; I437-Y462 HydrophobicContact CD1-CD2 4.48Å; I437-Y462 HydrophobicContact CD1-CG 4.24Å; I437-W465 HydrophobicContact CB-CZ3 4.16Å; I437-W465 HydrophobicContact CG1-CE3 3.94Å; I437-W465 HydrophobicContact CG1-CZ3 3.66Å; I437-W465 HydrophobicContact CG2-CZ3 4.48Å; I437-V466 HydrophobicContact CD1-CG2 4.36Å; I437-V466 HydrophobicContact CG1-CG2 4.43Å; I437-V466 HydrophobicContact CG2-CG2 3.97Å |
| 438 | P | 97.6 | Very high | 96.7 | Very high | 48 Ų | 48 | 50 Ų | 50 | 31% | 0.312 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58 | -34.4 | 173.3 | -27 | 36.6 | 0 | 0 | 0 | 113.9 | P434 Q442 | P434-P438 VanDerWaalsContact O-CD 3.28Å; P434-P438 WeakPolarHBondContact O-CD 3.12Å; P434-P438 VanDerWaalsContact O-CG 3.3Å; P434-P438 WeakPolarHBondContact O-CG 3.44Å; P438-Q442 WeakPolarHBondContact O-CG 3.41Å; P438-Q442 PolarHBondContact O-N 3.24Å |
| 439 | H | 96.6 | Very high | 96.7 | Very high | 31 Ų | 31 | 49.3 Ų | 49.3 | 14% | 0.144 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.5 | -46.1 | 175.6 | 178.9 | 58.6 | 0 | 0 | 0 | 112 | L403 F404 E435 L436 I437 I441 Q442 C443 | L403-H439 PolarHBondContact O-NE2 2.98Å; F404-H439 AromaticContact CD1-CE1 3.71Å; F404-H439 AromaticContact CD1-NE2 3.78Å; F404-H439 AromaticContact CE1-CD2 3.75Å; F404-H439 AromaticContact CE1-CE1 3.5Å; F404-H439 VanDerWaalsContact CE1-CE1 3.5Å; F404-H439 WeakPolarHBondContact CE1-CE1 3.49Å; F404-H439 AromaticContact CE1-CG 3.82Å; F404-H439 AromaticContact CE1-ND1 3.68Å; F404-H439 AromaticContact CE1-NE2 3.53Å; E435-H439 PolarHBondContact O-N 3.37Å; L436-H439 WeakPolarHBondContact O-CB 3.28Å; L436-H439 PolarHBondContact O-N 3.01Å; L436-H439 VanDerWaalsContact O-N 3.16Å; I437-H439 PolarHBondContact O-N 3.45Å; H439-I441 VanDerWaalsContact C-N 3.31Å; H439-I441 PolarHBondContact O-N 3.03Å; H439-Q442 WeakPolarHBondContact O-CA 3.35Å; H439-Q442 VanDerWaalsContact O-CB 3.3Å; H439-Q442 WeakPolarHBondContact O-CB 3.36Å; H439-Q442 PolarHBondContact O-N 3.5Å; H439-C443 PolarHBondContact O-N 2.94Å; H439-C443 VanDerWaalsContact O-N 3.08Å; H439-C443 PolarHBondContact O-SG 3.3Å |
| 440 | L | 97.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.8 | -38.3 | 175.9 | -71.4 | 175.4 | 0 | 0 | 0 | 112.3 | I415 L418 L436 I437 Q442 C443 L444 T458 L459 | I415-L440 HydrophobicContact CG1-CD2 4.07Å; I415-L440 HydrophobicContact CG2-CD2 3.81Å; L418-L440 HydrophobicContact CD2-CD1 3.82Å; L418-L440 HydrophobicContact CD2-CD2 4.28Å; L418-L440 HydrophobicContact CD2-CG 4.28Å; L436-L440 WeakPolarHBondContact O-CG 3.33Å; L436-L440 PolarHBondContact O-N 3.33Å; I437-L440 HydrophobicContact CD1-CD1 4.41Å; I437-L440 PolarHBondContact O-N 2.87Å; L440-Q442 PolarHBondContact O-N 3.41Å; L440-C443 WeakPolarHBondContact O-CA 3Å; L440-C443 VanDerWaalsContact O-CB 3.29Å; L440-C443 WeakPolarHBondContact O-CB 3.27Å; L440-C443 PolarHBondContact O-N 3.44Å; L440-L444 PolarHBondContact O-N 2.95Å; L440-T458 HydrophobicContact CD1-CG2 3.79Å; L440-T458 HydrophobicContact CD2-CG2 4.35Å; L440-L459 HydrophobicContact CB-CD1 4.1Å; L440-L459 HydrophobicContact CB-CD2 3.61Å; L440-L459 HydrophobicContact CB-CG 3.81Å; L440-L459 HydrophobicContact CD1-CD2 4.07Å; L440-L459 HydrophobicContact CD1-CG 4.3Å |
| 441 | I | 98.2 | Very high | 96.7 | Very high | 18 Ų | 18 | 47.4 Ų | 47.4 | 9% | 0.092 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.1 | -37 | 173 | -67.9 | 168.2 | 0 | 0 | 0 | 110.7 | I437 H439 C443 L444 L459 P477 L478 E481 | I437-I441 HydrophobicContact CG2-CD1 3.96Å; I437-I441 HydrophobicContact CG2-CG1 4.47Å; I437-I441 WeakPolarHBondContact O-CG1 3.19Å; I437-I441 PolarHBondContact O-N 2.78Å; H439-I441 VanDerWaalsContact C-N 3.31Å; H439-I441 PolarHBondContact O-N 3.03Å; I441-C443 VanDerWaalsContact C-N 3.35Å; I441-L444 WeakPolarHBondContact O-CB 3.18Å; I441-L444 PolarHBondContact O-N 3.29Å; I441-L459 HydrophobicContact CG1-CD1 4.37Å; I441-L459 HydrophobicContact CG1-CD2 4.19Å; I441-P477 HydrophobicContact CD1-CB 4.35Å; I441-L478 HydrophobicContact CD1-CB 3.99Å; I441-L478 HydrophobicContact CG1-CB 4.34Å; I441-L478 HydrophobicContact CG1-CD1 4.06Å; I441-E481 HydrophobicContact CG2-CB 4.24Å; I441-E481 HydrophobicContact CG2-CG 3.81Å |
| 442 | Q | 97.3 | Very high | 96.8 | Very high | 136 Ų | 136 | 43.6 Ų | 43.6 | 64% | 0.636 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -67.3 | -35.2 | 172.9 | -65.7 | 170.2 | 4.3 | 0 | 0 | 112.2 | P438 H439 L440 L444 S445 | P438-Q442 WeakPolarHBondContact O-CG 3.41Å; P438-Q442 PolarHBondContact O-N 3.24Å; H439-Q442 WeakPolarHBondContact O-CA 3.35Å; H439-Q442 VanDerWaalsContact O-CB 3.3Å; H439-Q442 WeakPolarHBondContact O-CB 3.36Å; H439-Q442 PolarHBondContact O-N 3.5Å; L440-Q442 PolarHBondContact O-N 3.41Å; Q442-L444 PolarHBondContact O-N 3.42Å; Q442-S445 PolarHBondContact O-N 2.7Å |
| 443 | C | 98 | Very high | 96.7 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.9 | -23.6 | 176.6 | -66 | 0 | 0 | 0 | 0 | 113.4 | I415 H439 L440 I441 S445 D446 V451 A455 | I415-C443 HydrophobicContact CD1-CB 4.25Å; H439-C443 PolarHBondContact O-N 2.94Å; H439-C443 VanDerWaalsContact O-N 3.08Å; H439-C443 PolarHBondContact O-SG 3.3Å; L440-C443 WeakPolarHBondContact O-CA 3Å; L440-C443 VanDerWaalsContact O-CB 3.29Å; L440-C443 WeakPolarHBondContact O-CB 3.27Å; L440-C443 PolarHBondContact O-N 3.44Å; I441-C443 VanDerWaalsContact C-N 3.35Å; C443-S445 PolarHBondContact O-N 3.08Å; C443-S445 VanDerWaalsContact O-N 3.15Å; C443-D446 VanDerWaalsContact O-CB 3.28Å; C443-D446 WeakPolarHBondContact O-CB 3.04Å; C443-D446 PolarHBondContact O-N 3.09Å; C443-V451 HydrophobicContact CB-CG1 4.46Å; C443-A455 HydrophobicContact CB-CB 3.9Å |
| 444 | L | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -23.3 | 169.8 | -63.2 | 176.4 | 0 | 0 | 0 | 112.2 | L440 I441 Q442 R452 A455 C456 L459 L478 E481 L482 R485 | L440-L444 PolarHBondContact O-N 2.95Å; I441-L444 WeakPolarHBondContact O-CB 3.18Å; I441-L444 PolarHBondContact O-N 3.29Å; Q442-L444 PolarHBondContact O-N 3.42Å; L444-R452 WeakPolarHBondContact O-CD 3.43Å; L444-R452 WeakPolarHBondContact O-CG 3.48Å; L444-A455 HydrophobicContact CD2-CB 3.96Å; L444-C456 HydrophobicContact CD2-CB 4.41Å; L444-C456 VanDerWaalsContact CD2-SG 3.52Å; L444-L459 HydrophobicContact CD1-CD1 3.7Å; L444-L459 HydrophobicContact CD2-CD1 3.92Å; L444-L459 HydrophobicContact CG-CD1 3.77Å; L444-L478 HydrophobicContact CD1-CD1 4.36Å; L444-E481 HydrophobicContact CB-CB 4.5Å; L444-E481 HydrophobicContact CD1-CB 3.69Å; L444-L482 HydrophobicContact CD1-CD2 4.17Å; L444-L482 HydrophobicContact CD1-CG 4.29Å; L444-L482 HydrophobicContact CD2-CD2 4.23Å; L444-R485 HydrophobicContact CB-CG 4.08Å; L444-R485 HydrophobicContact CD2-CG 4.25Å; L444-R485 WeakPolarHBondContact O-CD 3.4Å; L444-R485 PolarHBondContact O-NH1 3.06Å |
| 445 | S | 96.8 | Very high | 96.8 | Very high | 77 Ų | 77 | 36.7 Ų | 36.7 | 54% | 0.538 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 15.1 | 175.5 | -66 | 0 | 0 | 0 | 0 | 113.5 | Q442 C443 | Q442-S445 PolarHBondContact O-N 2.7Å; C443-S445 PolarHBondContact O-N 3.08Å; C443-S445 VanDerWaalsContact O-N 3.15Å |
| 446 | D | 97.3 | Very high | 96.9 | Very high | 27 Ų | 27 | 29.8 Ų | 29.8 | 14% | 0.144 | 15% | 0.154 | C | C | . | . | trans | -65.5 | 148.1 | 177.6 | -161.7 | -64.4 | 0 | 0 | 0 | 111.1 | K411 C443 K448 V451 R452 | K411-D446 IonicContact NZ-OD2 3.32Å; K411-D446 PolarHBondContact NZ-OD2 3.32Å; C443-D446 VanDerWaalsContact O-CB 3.28Å; C443-D446 WeakPolarHBondContact O-CB 3.04Å; C443-D446 PolarHBondContact O-N 3.09Å; D446-K448 PolarHBondContact O-N 2.87Å; D446-K448 PolarHBondContact OD1-N 3.38Å; D446-V451 HydrophobicContact CB-CB 4.07Å; D446-V451 HydrophobicContact CB-CG1 3.7Å; D446-R452 HydrophobicContact CB-CG 4.47Å; D446-R452 WeakPolarHBondContact O-CD 3.24Å; D446-R452 VanDerWaalsContact O-CG 3.27Å; D446-R452 WeakPolarHBondContact O-CG 3.44Å; D446-R452 PolarHBondContact O-NH1 3.25Å | ||
| 447 | K | 94.8 | Very high | 96.9 | Very high | 171 Ų | 171 | 32.6 Ų | 32.6 | 74% | 0.743 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -66.5 | -17.3 | -179.8 | 64.9 | 176.9 | -179.5 | 179 | 0 | 113.5 | ||
| 448 | K | 95.8 | Very high | 96.9 | Very high | 31 Ų | 31 | 32.6 Ų | 32.6 | 14% | 0.135 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -101.5 | 121.6 | -179 | -79.2 | -56.4 | -156.9 | 167.5 | 0 | 111.7 | G318 D319 E321 W408 D446 L450 V451 R452 | G318-K448 PolarHBondContact O-NZ 3Å; G318-K448 VanDerWaalsContact O-NZ 3.14Å; D319-K448 IonicContact OD1-NZ 3.87Å; D319-K448 PolarHBondContact OD1-NZ 3.17Å; E321-K448 WeakPolarHBondContact OE1-CA 3.34Å; E321-K448 VanDerWaalsContact OE1-CD 3.26Å; E321-K448 WeakPolarHBondContact OE1-CD 3.27Å; E321-K448 IonicContact OE1-NZ 3.75Å; W408-K448 HydrophobicContact CB-CB 4.42Å; W408-K448 HydrophobicContact CB-CG 4Å; W408-K448 HydrophobicContact CD2-CG 4.21Å; W408-K448 HydrophobicContact CG-CB 4.47Å; W408-K448 HydrophobicContact CG-CG 3.83Å; D446-K448 PolarHBondContact O-N 2.87Å; D446-K448 PolarHBondContact OD1-N 3.38Å; K448-L450 VanDerWaalsContact C-N 3.31Å; K448-L450 PolarHBondContact O-N 3.06Å; K448-V451 HydrophobicContact CB-CB 4.3Å; K448-V451 HydrophobicContact CB-CG2 3.9Å; K448-V451 WeakPolarHBondContact O-CB 3.18Å; K448-V451 PolarHBondContact O-N 3.42Å; K448-R452 PolarHBondContact O-N 3.42Å; K448-R452 VanDerWaalsContact O-N 3.14Å |
| 449 | A | 94.8 | Very high | 96.9 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 3% | 0.033 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -55.5 | -43.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | E321 V451 R452 S453 N490 V493 | E321-A449 PolarHBondContact OE1-N 3.33Å; E321-A449 WeakPolarHBondContact OE2-CB 3.32Å; E321-A449 PolarHBondContact OE2-N 3.12Å; A449-V451 VanDerWaalsContact C-N 3.29Å; A449-V451 PolarHBondContact O-N 2.93Å; A449-R452 WeakPolarHBondContact O-CB 3.42Å; A449-R452 PolarHBondContact O-N 3.5Å; A449-R452 VanDerWaalsContact O-N 3.11Å; A449-S453 WeakPolarHBondContact O-CB 3.38Å; A449-S453 PolarHBondContact O-N 2.77Å; A449-N490 HydrophobicContact CB-CB 4.02Å; A449-V493 HydrophobicContact CB-CG2 3.84Å; A449-V493 VanDerWaalsContact O-CG2 3.3Å; A449-V493 WeakPolarHBondContact O-CG2 3.49Å |
| 450 | L | 94.3 | Very high | 96.8 | Very high | 8 Ų | 8 | 29.4 Ų | 29.4 | 4% | 0.042 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63 | -33.2 | 178.6 | -65.8 | 173.9 | 0 | 0 | 0 | 112.9 | Y308 L316 W408 K448 I454 | Y308-L450 HydrophobicContact CE2-CD1 4.38Å; L316-L450 HydrophobicContact CD1-CD2 4.37Å; W408-L450 HydrophobicContact CE3-CB 4.43Å; W408-L450 HydrophobicContact CH2-CB 4.37Å; W408-L450 HydrophobicContact CH2-CD1 3.43Å; W408-L450 VanDerWaalsContact CH2-CD1 3.43Å; W408-L450 HydrophobicContact CZ2-CD1 4.46Å; W408-L450 HydrophobicContact CZ3-CB 3.75Å; W408-L450 HydrophobicContact CZ3-CD1 3.68Å; W408-L450 HydrophobicContact CZ3-CG 4.36Å; K448-L450 VanDerWaalsContact C-N 3.31Å; K448-L450 PolarHBondContact O-N 3.06Å; L450-I454 WeakPolarHBondContact O-CG2 3.31Å; L450-I454 PolarHBondContact O-N 3Å |
| 451 | V | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.8 | -41.9 | 173.5 | 177.8 | 0 | 0 | 0 | 0 | 110.8 | W408 K411 E412 I415 C443 D446 K448 A449 I454 A455 | W408-V451 HydrophobicContact CB-CG2 3.94Å; W408-V451 HydrophobicContact CE3-CG2 4.12Å; K411-V451 HydrophobicContact CD-CG1 4.29Å; E412-V451 HydrophobicContact CB-CG2 4.18Å; I415-V451 HydrophobicContact CD1-CG1 3.96Å; C443-V451 HydrophobicContact CB-CG1 4.46Å; D446-V451 HydrophobicContact CB-CB 4.07Å; D446-V451 HydrophobicContact CB-CG1 3.7Å; K448-V451 HydrophobicContact CB-CB 4.3Å; K448-V451 HydrophobicContact CB-CG2 3.9Å; K448-V451 WeakPolarHBondContact O-CB 3.18Å; K448-V451 PolarHBondContact O-N 3.42Å; A449-V451 VanDerWaalsContact C-N 3.29Å; A449-V451 PolarHBondContact O-N 2.93Å; V451-I454 WeakPolarHBondContact O-CG2 3.47Å; V451-A455 VanDerWaalsContact O-CB 3.29Å; V451-A455 WeakPolarHBondContact O-CB 3.44Å; V451-A455 PolarHBondContact O-N 2.82Å |
| 452 | R | 98.1 | Very high | 96.5 | Very high | 15 Ų | 15 | 31.2 Ų | 31.2 | 6% | 0.057 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.6 | -45.5 | 177.7 | -59.5 | -162.7 | -68 | -74.8 | 1.7 | 111.2 | E321 L444 D446 K448 A449 A455 C456 D488 V493 | E321-R452 IonicContact OE2-CZ 3.96Å; E321-R452 IonicContact OE2-NH1 3.69Å; E321-R452 PolarHBondContact OE2-NH1 3.15Å; E321-R452 IonicContact OE2-NH2 2.93Å; E321-R452 PolarHBondContact OE2-NH2 3.41Å; L444-R452 WeakPolarHBondContact O-CD 3.43Å; L444-R452 WeakPolarHBondContact O-CG 3.48Å; D446-R452 HydrophobicContact CB-CG 4.47Å; D446-R452 WeakPolarHBondContact O-CD 3.24Å; D446-R452 VanDerWaalsContact O-CG 3.27Å; D446-R452 WeakPolarHBondContact O-CG 3.44Å; D446-R452 PolarHBondContact O-NH1 3.25Å; K448-R452 PolarHBondContact O-N 3.42Å; K448-R452 VanDerWaalsContact O-N 3.14Å; A449-R452 WeakPolarHBondContact O-CB 3.42Å; A449-R452 PolarHBondContact O-N 3.5Å; A449-R452 VanDerWaalsContact O-N 3.11Å; R452-A455 PolarHBondContact O-N 3.4Å; R452-C456 PolarHBondContact O-N 3.08Å; R452-C456 PolarHBondContact O-SG 3.31Å; R452-D488 IonicContact CZ-OD1 3.55Å; R452-D488 IonicContact CZ-OD2 3.75Å; R452-D488 IonicContact NE-OD1 3.75Å; R452-D488 IonicContact NE-OD2 3.02Å; R452-D488 PolarHBondContact NE-OD2 3.15Å; R452-D488 IonicContact NH2-OD1 2.58Å; R452-D488 PolarHBondContact NH2-OD1 3.22Å; R452-D488 IonicContact NH2-OD2 3.82Å; R452-V493 HydrophobicContact CB-CG1 3.93Å; R452-V493 HydrophobicContact CB-CG2 4.01Å |
| 453 | S | 95.6 | Very high | 96.3 | Very high | 16 Ų | 16 | 24.9 Ų | 24.9 | 11% | 0.112 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.7 | -51.9 | 179.2 | 174.2 | 0 | 0 | 0 | 0 | 111.7 | A449 A455 C456 W457 A496 | A449-S453 WeakPolarHBondContact O-CB 3.38Å; A449-S453 PolarHBondContact O-N 2.77Å; S453-A455 VanDerWaalsContact C-N 3.29Å; S453-A455 PolarHBondContact O-N 2.75Å; S453-C456 WeakPolarHBondContact O-CB 3.34Å; S453-C456 PolarHBondContact O-N 3Å; S453-W457 PolarHBondContact O-N 3.48Å; S453-A496 WeakPolarHBondContact OG-CB 3.5Å |
| 454 | I | 96.3 | Very high | 96 | Very high | 16 Ų | 16 | 30.3 Ų | 30.3 | 8% | 0.082 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.3 | -28.7 | 179.4 | -165.9 | 60.5 | 0 | 0 | 0 | 113 | E412 I415 L416 L450 V451 W457 T458 | E412-I454 HydrophobicContact CG-CG2 3.76Å; E412-I454 WeakPolarHBondContact OE1-CB 3.36Å; E412-I454 WeakPolarHBondContact OE1-CG2 3.33Å; I415-I454 HydrophobicContact CB-CG1 4.48Å; I415-I454 HydrophobicContact CB-CG2 3.99Å; I415-I454 HydrophobicContact CD1-CG2 4.38Å; I415-I454 HydrophobicContact CG2-CB 4.46Å; I415-I454 HydrophobicContact CG2-CG1 4.1Å; I415-I454 HydrophobicContact CG2-CG2 3.82Å; L416-I454 HydrophobicContact CB-CD1 4Å; L416-I454 HydrophobicContact CB-CG1 3.96Å; L416-I454 HydrophobicContact CD1-CD1 3.69Å; L416-I454 HydrophobicContact CG-CD1 4.41Å; L450-I454 WeakPolarHBondContact O-CG2 3.31Å; L450-I454 PolarHBondContact O-N 3Å; V451-I454 WeakPolarHBondContact O-CG2 3.47Å; I454-W457 HydrophobicContact CD1-CD2 4.34Å; I454-W457 HydrophobicContact CD1-CE3 3.62Å; I454-W457 HydrophobicContact CD1-CZ3 4.23Å; I454-W457 PolarHBondContact O-N 3.11Å; I454-T458 WeakPolarHBondContact O-CB 3.33Å; I454-T458 PolarHBondContact O-N 3.32Å; I454-T458 PolarHBondContact O-OG1 2.92Å |
| 455 | A | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.6 | -38.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | C443 L444 V451 R452 S453 L459 | C443-A455 HydrophobicContact CB-CB 3.9Å; L444-A455 HydrophobicContact CD2-CB 3.96Å; V451-A455 VanDerWaalsContact O-CB 3.29Å; V451-A455 WeakPolarHBondContact O-CB 3.44Å; V451-A455 PolarHBondContact O-N 2.82Å; R452-A455 PolarHBondContact O-N 3.4Å; S453-A455 VanDerWaalsContact C-N 3.29Å; S453-A455 PolarHBondContact O-N 2.75Å; A455-L459 VanDerWaalsContact O-CB 3.32Å; A455-L459 WeakPolarHBondContact O-CB 3.42Å; A455-L459 WeakPolarHBondContact O-CD1 3.29Å; A455-L459 VanDerWaalsContact O-CG 3.27Å; A455-L459 WeakPolarHBondContact O-CG 3.22Å; A455-L459 PolarHBondContact O-N 3.48Å |
| 456 | C | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.1 | -55.2 | 172.5 | -65.2 | 0 | 0 | 0 | 0 | 110.8 | L444 R452 S453 T458 L459 S460 L482 A496 A500 | L444-C456 HydrophobicContact CD2-CB 4.41Å; L444-C456 VanDerWaalsContact CD2-SG 3.52Å; R452-C456 PolarHBondContact O-N 3.08Å; R452-C456 PolarHBondContact O-SG 3.31Å; S453-C456 WeakPolarHBondContact O-CB 3.34Å; S453-C456 PolarHBondContact O-N 3Å; C456-T458 PolarHBondContact O-N 2.86Å; C456-L459 PolarHBondContact O-N 3.04Å; C456-S460 PolarHBondContact O-N 3.48Å; C456-S460 VanDerWaalsContact O-N 3.1Å; C456-L482 HydrophobicContact CB-CD2 4.23Å; C456-A496 HydrophobicContact CB-CB 4.18Å; C456-A496 WeakPolarHBondContact CB-O 3.44Å; C456-A500 HydrophobicContact CB-CB 3.87Å; C456-A500 VanDerWaalsContact O-CB 3.29Å; C456-A500 WeakPolarHBondContact O-CB 3.45Å |
| 457 | W | 95.8 | Very high | 95.7 | Very high | 79 Ų | 79 | 27.6 Ų | 27.6 | 30% | 0.299 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -60.5 | -44.9 | 179.9 | 178.6 | 82.7 | 0 | 0 | 0 | 112.5 | L416 S453 I454 L459 S460 R461 | L416-W457 HydrophobicContact CD1-CE3 4.41Å; L416-W457 HydrophobicContact CD1-CH2 4.23Å; L416-W457 HydrophobicContact CD1-CZ3 3.79Å; S453-W457 PolarHBondContact O-N 3.48Å; I454-W457 HydrophobicContact CD1-CD2 4.34Å; I454-W457 HydrophobicContact CD1-CE3 3.62Å; I454-W457 HydrophobicContact CD1-CZ3 4.23Å; I454-W457 PolarHBondContact O-N 3.11Å; W457-L459 VanDerWaalsContact C-N 3.3Å; W457-L459 PolarHBondContact O-N 3.02Å; W457-S460 PolarHBondContact O-N 2.95Å; W457-S460 PolarHBondContact O-OG 3.48Å; W457-R461 HydrophobicContact CD2-CG 4.34Å; W457-R461 HydrophobicContact CH2-CG 4.36Å; W457-R461 HydrophobicContact CZ2-CG 4.12Å; W457-R461 WeakPolarHBondContact O-CG 3.34Å; W457-R461 PolarHBondContact O-N 3.1Å |
| 458 | T | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.8 | -36.5 | 179.6 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | I415 L418 L440 I454 C456 R461 Y462 | I415-T458 HydrophobicContact CG2-CG2 4.08Å; I415-T458 VanDerWaalsContact CG2-OG1 3.26Å; I415-T458 WeakPolarHBondContact CG2-OG1 3.32Å; I415-T458 PolarHBondContact O-OG1 3.19Å; I415-T458 VanDerWaalsContact O-OG1 3.09Å; L418-T458 HydrophobicContact CB-CG2 4.25Å; L418-T458 HydrophobicContact CD2-CG2 4.38Å; L418-T458 HydrophobicContact CG-CG2 4.15Å; L440-T458 HydrophobicContact CD1-CG2 3.79Å; L440-T458 HydrophobicContact CD2-CG2 4.35Å; I454-T458 WeakPolarHBondContact O-CB 3.33Å; I454-T458 PolarHBondContact O-N 3.32Å; I454-T458 PolarHBondContact O-OG1 2.92Å; C456-T458 PolarHBondContact O-N 2.86Å; T458-R461 PolarHBondContact O-N 3.14Å; T458-Y462 HydrophobicContact CG2-CE2 4.41Å; T458-Y462 WeakPolarHBondContact O-CD2 3.4Å |
| 459 | L | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.5 | -36.3 | 176.5 | -78.8 | 161.9 | 0 | 0 | 0 | 112.3 | I437 L440 I441 L444 A455 C456 W457 R461 Y462 A463 L478 | I437-L459 HydrophobicContact CD1-CD2 4.13Å; I437-L459 HydrophobicContact CG2-CD2 4.24Å; L440-L459 HydrophobicContact CB-CD1 4.1Å; L440-L459 HydrophobicContact CB-CD2 3.61Å; L440-L459 HydrophobicContact CB-CG 3.81Å; L440-L459 HydrophobicContact CD1-CD2 4.07Å; L440-L459 HydrophobicContact CD1-CG 4.3Å; I441-L459 HydrophobicContact CG1-CD1 4.37Å; I441-L459 HydrophobicContact CG1-CD2 4.19Å; L444-L459 HydrophobicContact CD1-CD1 3.7Å; L444-L459 HydrophobicContact CD2-CD1 3.92Å; L444-L459 HydrophobicContact CG-CD1 3.77Å; A455-L459 VanDerWaalsContact O-CB 3.32Å; A455-L459 WeakPolarHBondContact O-CB 3.42Å; A455-L459 WeakPolarHBondContact O-CD1 3.29Å; A455-L459 VanDerWaalsContact O-CG 3.27Å; A455-L459 WeakPolarHBondContact O-CG 3.22Å; A455-L459 PolarHBondContact O-N 3.48Å; C456-L459 PolarHBondContact O-N 3.04Å; W457-L459 VanDerWaalsContact C-N 3.3Å; W457-L459 PolarHBondContact O-N 3.02Å; L459-R461 VanDerWaalsContact C-N 3.35Å; L459-Y462 CarbonylContact O-C 3.53Å; L459-Y462 PolarHBondContact O-N 3.26Å; L459-A463 PolarHBondContact O-N 3.06Å; L459-L478 HydrophobicContact CB-CD1 3.98Å; L459-L478 HydrophobicContact CD1-CD1 3.63Å; L459-L478 HydrophobicContact CD2-CD1 3.97Å; L459-L478 HydrophobicContact CG-CD1 4.07Å |
| 460 | S | 94.6 | Very high | 95.4 | Very high | 13 Ų | 13 | 27.5 Ų | 27.5 | 9% | 0.091 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.1 | -36.3 | 176.8 | 66.8 | 0 | 0 | 0 | 0 | 112.3 | C456 W457 Y462 A463 | C456-S460 PolarHBondContact O-N 3.48Å; C456-S460 VanDerWaalsContact O-N 3.1Å; W457-S460 PolarHBondContact O-N 2.95Å; W457-S460 PolarHBondContact O-OG 3.48Å; S460-Y462 PolarHBondContact O-N 2.94Å; S460-A463 WeakPolarHBondContact O-CB 3.26Å; S460-A463 PolarHBondContact O-N 3.38Å |
| 461 | R | 93.9 | Very high | 95.2 | Very high | 56 Ų | 56 | 29.4 Ų | 29.4 | 21% | 0.211 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -17.1 | 174 | -59.9 | -67.2 | -74.8 | 168.8 | 3.1 | 113.9 | D381 A422 E423 W457 T458 L459 | D381-R461 IonicContact OD2-NH2 3.42Å; A422-R461 HydrophobicContact CB-CB 3.8Å; E423-R461 IonicContact OE2-CZ 3.04Å; E423-R461 IonicContact OE2-NH2 2.66Å; E423-R461 PolarHBondContact OE2-NH2 2.64Å; W457-R461 HydrophobicContact CD2-CG 4.34Å; W457-R461 HydrophobicContact CH2-CG 4.36Å; W457-R461 HydrophobicContact CZ2-CG 4.12Å; W457-R461 WeakPolarHBondContact O-CG 3.34Å; W457-R461 PolarHBondContact O-N 3.1Å; T458-R461 PolarHBondContact O-N 3.14Å; L459-R461 VanDerWaalsContact C-N 3.35Å |
| 462 | Y | 96.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 12.7 | 173.8 | -66.5 | -82.1 | 0 | 0 | 0 | 113.5 | L418 A422 M426 M429 L433 I437 T458 L459 S460 H464 W465 V466 | L418-Y462 HydrophobicContact CD1-CE2 4.37Å; L418-Y462 HydrophobicContact CG-CE2 4.15Å; L418-Y462 WeakPolarHBondContact O-CE2 3.46Å; L418-Y462 PolarHBondContact O-OH 3.38Å; A422-Y462 WeakPolarHBondContact CA-OH 3.46Å; A422-Y462 HydrophobicContact CB-CD1 4.36Å; A422-Y462 HydrophobicContact CB-CD2 4.22Å; A422-Y462 HydrophobicContact CB-CE1 3.78Å; A422-Y462 HydrophobicContact CB-CE2 3.63Å; M426-Y462 HydrophobicContact CE-CD1 3.45Å; M426-Y462 VanDerWaalsContact CE-CD1 3.45Å; M426-Y462 HydrophobicContact CE-CE1 3.75Å; M426-Y462 HydrophobicContact CE-CG 4.39Å; M426-Y462 HydrophobicContact SD-CD1 3.82Å; M426-Y462 HydrophobicContact SD-CE1 4.01Å; M429-Y462 HydrophobicContact CB-CE1 4.48Å; L433-Y462 HydrophobicContact CD1-CD1 3.83Å; L433-Y462 HydrophobicContact CD1-CE1 4.26Å; L433-Y462 HydrophobicContact CD2-CD1 3.62Å; L433-Y462 HydrophobicContact CD2-CE1 3.62Å; L433-Y462 HydrophobicContact CD2-CG 4.22Å; L433-Y462 HydrophobicContact CG-CD1 4.4Å; I437-Y462 HydrophobicContact CD1-CD2 4.48Å; I437-Y462 HydrophobicContact CD1-CG 4.24Å; T458-Y462 HydrophobicContact CG2-CE2 4.41Å; T458-Y462 WeakPolarHBondContact O-CD2 3.4Å; L459-Y462 CarbonylContact O-C 3.53Å; L459-Y462 PolarHBondContact O-N 3.26Å; S460-Y462 PolarHBondContact O-N 2.94Å; Y462-H464 PolarHBondContact O-N 2.97Å; Y462-W465 PolarHBondContact O-N 3.22Å; Y462-W465 VanDerWaalsContact O-N 3.11Å; Y462-V466 PolarHBondContact O-N 3.1Å; Y462-V466 VanDerWaalsContact O-N 3.11Å |
| 463 | A | 93.2 | Very high | 94.6 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 2% | 0.017 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.8 | -44.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L459 S460 W465 V466 V467 L504 E507 | L459-A463 PolarHBondContact O-N 3.06Å; S460-A463 WeakPolarHBondContact O-CB 3.26Å; S460-A463 PolarHBondContact O-N 3.38Å; A463-W465 VanDerWaalsContact C-N 3.3Å; A463-W465 PolarHBondContact O-N 2.66Å; A463-V466 WeakPolarHBondContact O-CA 3.42Å; A463-V466 WeakPolarHBondContact O-CB 3.38Å; A463-V466 PolarHBondContact O-N 2.81Å; A463-V467 WeakPolarHBondContact O-CG2 3.26Å; A463-V467 PolarHBondContact O-N 3.05Å; A463-L504 HydrophobicContact CB-CD1 3.96Å; A463-E507 HydrophobicContact CB-CB 4.25Å; A463-E507 HydrophobicContact CB-CG 4Å |
| 464 | H | 90.1 | Very high | 94.5 | Very high | 121 Ų | 121 | 39.4 Ų | 39.4 | 56% | 0.56 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -52.9 | -46.2 | 175.8 | 175.7 | -86.6 | 0 | 0 | 0 | 112.3 | Y462 V467 S468 E507 | Y462-H464 PolarHBondContact O-N 2.97Å; H464-V467 PolarHBondContact O-N 3.2Å; H464-S468 WeakPolarHBondContact O-CB 3.47Å; H464-S468 PolarHBondContact O-N 2.94Å; H464-E507 WeakPolarHBondContact CA-OE2 3.29Å; H464-E507 VanDerWaalsContact CB-OE2 3.32Å; H464-E507 WeakPolarHBondContact CB-OE2 3.29Å; H464-E507 IonicContact CD2-OE2 2.7Å; H464-E507 PolarHBondContact CD2-OE2 3.41Å; H464-E507 VanDerWaalsContact CD2-OE2 3.32Å; H464-E507 IonicContact CG-OE2 3.68Å |
| 465 | W | 95.8 | Very high | 94.5 | Very high | 18 Ų | 18 | 38.8 Ų | 38.8 | 7% | 0.068 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.6 | -44.8 | 177.1 | -179.7 | 86 | 0 | 0 | 0 | 110.7 | L433 P434 I437 Y462 A463 V467 S468 Q469 H474 | L433-W465 HydrophobicContact CB-CD2 3.94Å; L433-W465 HydrophobicContact CB-CE3 4Å; L433-W465 HydrophobicContact CB-CH2 3.81Å; L433-W465 HydrophobicContact CB-CZ2 3.73Å; L433-W465 HydrophobicContact CB-CZ3 3.95Å; L433-W465 HydrophobicContact CD1-CB 3.98Å; L433-W465 HydrophobicContact CD1-CD2 3.53Å; L433-W465 HydrophobicContact CD1-CE3 4.09Å; L433-W465 HydrophobicContact CD1-CG 3.45Å; L433-W465 VanDerWaalsContact CD1-CG 3.45Å; L433-W465 HydrophobicContact CG-CD2 4.38Å; P434-W465 HydrophobicContact CG-CH2 4.26Å; P434-W465 HydrophobicContact CG-CZ2 4.07Å; I437-W465 HydrophobicContact CB-CZ3 4.16Å; I437-W465 HydrophobicContact CG1-CE3 3.94Å; I437-W465 HydrophobicContact CG1-CZ3 3.66Å; I437-W465 HydrophobicContact CG2-CZ3 4.48Å; Y462-W465 PolarHBondContact O-N 3.22Å; Y462-W465 VanDerWaalsContact O-N 3.11Å; A463-W465 VanDerWaalsContact C-N 3.3Å; A463-W465 PolarHBondContact O-N 2.66Å; W465-V467 VanDerWaalsContact C-N 3.34Å; W465-V467 PolarHBondContact O-N 2.95Å; W465-S468 PolarHBondContact O-N 3.09Å; W465-S468 PolarHBondContact O-OG 2.71Å; W465-Q469 HydrophobicContact CD2-CG 4.18Å; W465-Q469 HydrophobicContact CE3-CG 4.27Å; W465-Q469 HydrophobicContact CH2-CG 3.94Å; W465-Q469 HydrophobicContact CZ2-CG 3.84Å; W465-Q469 HydrophobicContact CZ3-CG 4.15Å; W465-Q469 WeakPolarHBondContact O-CG 3.45Å; W465-Q469 PolarHBondContact O-N 3.3Å; W465-H474 AromaticContact CH2-CD2 3.92Å; W465-H474 AromaticContact CH2-NE2 3.82Å; W465-H474 AromaticContact CZ3-CD2 4Å |
| 466 | V | 96.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59 | -43.9 | 179.4 | 172.3 | 0 | 0 | 0 | 0 | 112.1 | I437 Y462 A463 S468 Q469 H474 L475 L478 | I437-V466 HydrophobicContact CD1-CG2 4.36Å; I437-V466 HydrophobicContact CG1-CG2 4.43Å; I437-V466 HydrophobicContact CG2-CG2 3.97Å; Y462-V466 PolarHBondContact O-N 3.1Å; Y462-V466 VanDerWaalsContact O-N 3.11Å; A463-V466 WeakPolarHBondContact O-CA 3.42Å; A463-V466 WeakPolarHBondContact O-CB 3.38Å; A463-V466 PolarHBondContact O-N 2.81Å; V466-S468 VanDerWaalsContact C-N 3.34Å; V466-Q469 PolarHBondContact O-N 3.01Å; V466-H474 HydrophobicContact CG1-CB 3.85Å; V466-L475 HydrophobicContact CG1-CB 4.1Å; V466-L475 HydrophobicContact CG1-CD1 4.49Å; V466-L478 HydrophobicContact CB-CD2 4.33Å; V466-L478 HydrophobicContact CG1-CD2 3.84Å; V466-L478 HydrophobicContact CG2-CD2 4.17Å |
| 467 | V | 93.3 | Very high | 94.4 | Very high | 28 Ų | 28 | 44.9 Ų | 44.9 | 17% | 0.17 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.4 | -33.7 | 178.4 | 174 | 0 | 0 | 0 | 0 | 111.7 | A463 H464 W465 Q469 L475 L504 E507 A508 | A463-V467 WeakPolarHBondContact O-CG2 3.26Å; A463-V467 PolarHBondContact O-N 3.05Å; H464-V467 PolarHBondContact O-N 3.2Å; W465-V467 VanDerWaalsContact C-N 3.34Å; W465-V467 PolarHBondContact O-N 2.95Å; V467-Q469 PolarHBondContact O-N 3.01Å; V467-L475 HydrophobicContact CG2-CD1 4.13Å; V467-L504 HydrophobicContact CG2-CD1 4.03Å; V467-E507 HydrophobicContact CG2-CB 4.12Å; V467-A508 HydrophobicContact CG1-CB 4.47Å; V467-A508 HydrophobicContact CG2-CB 3.84Å |
| 468 | S | 92.3 | Very high | 94.5 | Very high | 73 Ų | 73 | 41.2 Ų | 41.2 | 51% | 0.51 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -69.6 | -13.5 | 177.7 | 76.7 | 0 | 0 | 0 | 0 | 114.6 | H464 W465 V466 | H464-S468 WeakPolarHBondContact O-CB 3.47Å; H464-S468 PolarHBondContact O-N 2.94Å; W465-S468 PolarHBondContact O-N 3.09Å; W465-S468 PolarHBondContact O-OG 2.71Å; V466-S468 VanDerWaalsContact C-N 3.34Å |
| 469 | Q | 94.9 | Very high | 94.5 | Very high | 60 Ų | 60 | 41.3 Ų | 41.3 | 28% | 0.28 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -91 | 164.6 | 178.9 | -61.1 | -46.1 | -64.4 | 0 | 0 | 111.9 | W465 V466 V467 | W465-Q469 HydrophobicContact CD2-CG 4.18Å; W465-Q469 HydrophobicContact CE3-CG 4.27Å; W465-Q469 HydrophobicContact CH2-CG 3.94Å; W465-Q469 HydrophobicContact CZ2-CG 3.84Å; W465-Q469 HydrophobicContact CZ3-CG 4.15Å; W465-Q469 WeakPolarHBondContact O-CG 3.45Å; W465-Q469 PolarHBondContact O-N 3.3Å; V466-Q469 PolarHBondContact O-N 3.01Å; V467-Q469 PolarHBondContact O-N 3.01Å |
| 470 | P | 93.1 | Very high | 94.5 | Very high | 72 Ų | 72 | 43.1 Ų | 43.1 | 47% | 0.468 | 23% | 0.231 | S | C | . | . | trans | -52.3 | 126.1 | 173.8 | -28.2 | 36.5 | 0 | 0 | 0 | 112.1 | D472 M473 | P470-D472 VanDerWaalsContact C-N 3.31Å; P470-D472 PolarHBondContact O-N 3.5Å; P470-D472 VanDerWaalsContact O-N 3.11Å; P470-M473 HydrophobicContact CB-CG 4.24Å; P470-M473 HydrophobicContact CB-SD 4.25Å; P470-M473 HydrophobicContact CG-SD 4.16Å; P470-M473 WeakPolarHBondContact O-CB 3.47Å; P470-M473 PolarHBondContact O-N 3.18Å | ||
| 471 | P | 88.9 | Confident | 94.7 | Very high | 47 Ų | 47 | 44.3 Ų | 44.3 | 31% | 0.305 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -37.6 | -167.4 | -31.6 | 35.2 | 0 | 0 | 0 | 115.5 | M473 L475 K476 | P471-M473 VanDerWaalsContact C-N 3.25Å; P471-M473 PolarHBondContact O-N 3.05Å; P471-L475 HydrophobicContact CB-CD2 4.43Å; P471-L475 PolarHBondContact O-N 3.3Å; P471-K476 WeakPolarHBondContact O-CB 3.48Å; P471-K476 PolarHBondContact O-N 3.31Å |
| 472 | D | 91.6 | Very high | 94.9 | Very high | 112 Ų | 112 | 41.7 Ų | 41.7 | 60% | 0.599 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -17.3 | -179 | -75.4 | -54.6 | 0 | 0 | 0 | 113.8 | P470 K476 | P470-D472 VanDerWaalsContact C-N 3.31Å; P470-D472 PolarHBondContact O-N 3.5Å; P470-D472 VanDerWaalsContact O-N 3.11Å; D472-K476 VanDerWaalsContact OD1-CD 3.27Å; D472-K476 WeakPolarHBondContact OD1-CD 3.4Å; D472-K476 IonicContact OD1-NZ 2.74Å; D472-K476 PolarHBondContact OD1-NZ 2.95Å |
| 473 | M | 91.9 | Very high | 95 | Very high | 117 Ų | 117 | 41.7 Ų | 41.7 | 58% | 0.576 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -44.9 | -176.8 | -70.5 | -172.1 | 63.3 | 0 | 0 | 113.1 | P470 P471 | P470-M473 HydrophobicContact CB-CG 4.24Å; P470-M473 HydrophobicContact CB-SD 4.25Å; P470-M473 HydrophobicContact CG-SD 4.16Å; P470-M473 WeakPolarHBondContact O-CB 3.47Å; P470-M473 PolarHBondContact O-N 3.18Å; P471-M473 VanDerWaalsContact C-N 3.25Å; P471-M473 PolarHBondContact O-N 3.05Å |
| 474 | H | 93.9 | Very high | 95.3 | Very high | 13 Ų | 13 | 46 Ų | 46 | 6% | 0.06 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.4 | -49.4 | -170.2 | -60 | -62.9 | 0 | 0 | 0 | 112.8 | W465 V466 K476 P477 L478 | W465-H474 AromaticContact CH2-CD2 3.92Å; W465-H474 AromaticContact CH2-NE2 3.82Å; W465-H474 AromaticContact CZ3-CD2 4Å; V466-H474 HydrophobicContact CG1-CB 3.85Å; H474-K476 PolarHBondContact O-N 3.31Å; H474-P477 WeakPolarHBondContact O-CD 3.48Å; H474-L478 WeakPolarHBondContact O-CB 3.23Å; H474-L478 PolarHBondContact O-N 3.35Å |
| 475 | L | 95.9 | Very high | 95.7 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.5 | -52.3 | -177.1 | 176.6 | 59.4 | 0 | 0 | 0 | 112.3 | V466 V467 P471 L478 M479 L504 E511 | V466-L475 HydrophobicContact CG1-CB 4.1Å; V466-L475 HydrophobicContact CG1-CD1 4.49Å; V467-L475 HydrophobicContact CG2-CD1 4.13Å; P471-L475 HydrophobicContact CB-CD2 4.43Å; P471-L475 PolarHBondContact O-N 3.3Å; L475-L478 PolarHBondContact O-N 3.22Å; L475-M479 VanDerWaalsContact O-CB 3.23Å; L475-M479 WeakPolarHBondContact O-CB 3.43Å; L475-M479 PolarHBondContact O-N 3.36Å; L475-L504 HydrophobicContact CD1-CD1 3.81Å; L475-L504 HydrophobicContact CD1-CD2 4.23Å; L475-L504 HydrophobicContact CD1-CG 4.29Å; L475-E511 HydrophobicContact CD2-CB 4.34Å |
| 476 | K | 96.8 | Very high | 95.8 | Very high | 81 Ų | 81 | 41.5 Ų | 41.5 | 35% | 0.352 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.2 | -46.5 | -177.3 | 175.3 | -178.6 | -178.3 | 174.5 | 0 | 113.2 | P471 D472 H474 T480 Y515 | P471-K476 WeakPolarHBondContact O-CB 3.48Å; P471-K476 PolarHBondContact O-N 3.31Å; D472-K476 VanDerWaalsContact OD1-CD 3.27Å; D472-K476 WeakPolarHBondContact OD1-CD 3.4Å; D472-K476 IonicContact OD1-NZ 2.74Å; D472-K476 PolarHBondContact OD1-NZ 2.95Å; H474-K476 PolarHBondContact O-N 3.31Å; K476-T480 WeakPolarHBondContact O-CB 3.28Å; K476-T480 PolarHBondContact O-N 3.32Å; K476-T480 PolarHBondContact O-OG1 3Å; K476-Y515 HydrophobicContact CD-CE1 4.1Å; K476-Y515 HydrophobicContact CG-CE1 4.21Å |
| 477 | P | 97.7 | Very high | 95.8 | Very high | 47 Ų | 47 | 43.6 Ų | 43.6 | 31% | 0.305 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58 | -44.9 | 171.2 | -26.5 | 34.3 | 0 | 0 | 0 | 113.3 | I441 H474 T480 E481 | I441-P477 HydrophobicContact CD1-CB 4.35Å; H474-P477 WeakPolarHBondContact O-CD 3.48Å; P477-T480 PolarHBondContact O-N 3.47Å; P477-E481 PolarHBondContact O-N 3.1Å |
| 478 | L | 97.9 | Very high | 96.1 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.4 | -55.2 | 179.1 | 174.6 | 59.1 | 0 | 0 | 0 | 111.4 | I441 L444 L459 V466 H474 L475 T480 E481 L482 L504 | I441-L478 HydrophobicContact CD1-CB 3.99Å; I441-L478 HydrophobicContact CG1-CB 4.34Å; I441-L478 HydrophobicContact CG1-CD1 4.06Å; L444-L478 HydrophobicContact CD1-CD1 4.36Å; L459-L478 HydrophobicContact CB-CD1 3.98Å; L459-L478 HydrophobicContact CD1-CD1 3.63Å; L459-L478 HydrophobicContact CD2-CD1 3.97Å; L459-L478 HydrophobicContact CG-CD1 4.07Å; V466-L478 HydrophobicContact CB-CD2 4.33Å; V466-L478 HydrophobicContact CG1-CD2 3.84Å; V466-L478 HydrophobicContact CG2-CD2 4.17Å; H474-L478 WeakPolarHBondContact O-CB 3.23Å; H474-L478 PolarHBondContact O-N 3.35Å; L475-L478 PolarHBondContact O-N 3.22Å; L478-T480 VanDerWaalsContact C-N 3.25Å; L478-T480 PolarHBondContact O-N 3.11Å; L478-E481 PolarHBondContact O-N 3.49Å; L478-L482 HydrophobicContact CD1-CD1 3.78Å; L478-L482 HydrophobicContact CD1-CG 3.88Å; L478-L482 HydrophobicContact CG-CD1 3.91Å; L478-L482 HydrophobicContact CG-CG 4.4Å; L478-L482 WeakPolarHBondContact O-CB 3.5Å; L478-L482 PolarHBondContact O-N 3.34Å; L478-L504 HydrophobicContact CD2-CD1 4.33Å; L478-L504 HydrophobicContact CD2-CD2 4.3Å; L478-L504 HydrophobicContact CG-CD2 4.34Å |
| 479 | M | 98 | Very high | 96.3 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -53.3 | -44.9 | 177 | 176.5 | -165.6 | 74.2 | 0 | 0 | 110.8 | L475 E481 L482 L483 F501 L504 L512 Y515 I519 | L475-M479 VanDerWaalsContact O-CB 3.23Å; L475-M479 WeakPolarHBondContact O-CB 3.43Å; L475-M479 PolarHBondContact O-N 3.36Å; M479-E481 PolarHBondContact O-N 3.25Å; M479-L482 PolarHBondContact O-N 3.44Å; M479-L483 HydrophobicContact CG-CD1 4.05Å; M479-L483 WeakPolarHBondContact O-CB 3.37Å; M479-L483 WeakPolarHBondContact O-CG 3.43Å; M479-L483 PolarHBondContact O-N 2.88Å; M479-F501 HydrophobicContact CG-CE2 3.9Å; M479-F501 HydrophobicContact CG-CZ 4.43Å; M479-L504 HydrophobicContact CB-CD2 4.38Å; M479-L512 HydrophobicContact SD-CD2 4.22Å; M479-Y515 HydrophobicContact CE-CD1 3.61Å; M479-Y515 HydrophobicContact CE-CD2 3.95Å; M479-Y515 HydrophobicContact CE-CE1 4.22Å; M479-Y515 HydrophobicContact CE-CG 3.44Å; M479-Y515 VanDerWaalsContact CE-CG 3.44Å; M479-Y515 HydrophobicContact SD-CD1 4.49Å; M479-Y515 HydrophobicContact SD-CD2 3.81Å; M479-Y515 HydrophobicContact SD-CG 3.73Å; M479-I519 HydrophobicContact SD-CD1 4.12Å; M479-I519 HydrophobicContact SD-CG1 4.32Å |
| 480 | T | 98.2 | Very high | 96.3 | Very high | 38 Ų | 38 | 37.6 Ų | 37.6 | 23% | 0.233 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.5 | -45 | -179.8 | -57.3 | 0 | 0 | 0 | 0 | 112.3 | K476 P477 L478 K484 | K476-T480 WeakPolarHBondContact O-CB 3.28Å; K476-T480 PolarHBondContact O-N 3.32Å; K476-T480 PolarHBondContact O-OG1 3Å; P477-T480 PolarHBondContact O-N 3.47Å; L478-T480 VanDerWaalsContact C-N 3.25Å; L478-T480 PolarHBondContact O-N 3.11Å; T480-K484 WeakPolarHBondContact O-CG 3.45Å; T480-K484 PolarHBondContact O-N 3.02Å |
| 481 | E | 98.4 | Very high | 96.2 | Very high | 38 Ų | 38 | 35.2 Ų | 35.2 | 18% | 0.178 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -74.6 | -35.8 | 179.8 | -65.6 | -53.4 | 134 | 0 | 0 | 112.3 | I441 L444 P477 L478 M479 K484 R485 | I441-E481 HydrophobicContact CG2-CB 4.24Å; I441-E481 HydrophobicContact CG2-CG 3.81Å; L444-E481 HydrophobicContact CB-CB 4.5Å; L444-E481 HydrophobicContact CD1-CB 3.69Å; P477-E481 PolarHBondContact O-N 3.1Å; L478-E481 PolarHBondContact O-N 3.49Å; M479-E481 PolarHBondContact O-N 3.25Å; E481-K484 WeakPolarHBondContact O-CB 3.46Å; E481-K484 PolarHBondContact O-N 3.43Å; E481-K484 IonicContact OE1-NZ 3.59Å; E481-K484 PolarHBondContact OE1-NZ 2.86Å; E481-K484 WeakPolarHBondContact OE2-CD 3.4Å; E481-K484 IonicContact OE2-NZ 2.86Å; E481-K484 PolarHBondContact OE2-NZ 2.88Å; E481-R485 WeakPolarHBondContact O-CG 3.2Å; E481-R485 PolarHBondContact O-N 3.29Å; E481-R485 VanDerWaalsContact O-N 3.1Å |
| 482 | L | 98.2 | Very high | 96.4 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.7 | -45 | 172.9 | -79.4 | 177.7 | 0 | 0 | 0 | 111.8 | L444 C456 L478 M479 K484 R485 I486 A500 F501 L504 | L444-L482 HydrophobicContact CD1-CD2 4.17Å; L444-L482 HydrophobicContact CD1-CG 4.29Å; L444-L482 HydrophobicContact CD2-CD2 4.23Å; C456-L482 HydrophobicContact CB-CD2 4.23Å; L478-L482 HydrophobicContact CD1-CD1 3.78Å; L478-L482 HydrophobicContact CD1-CG 3.88Å; L478-L482 HydrophobicContact CG-CD1 3.91Å; L478-L482 HydrophobicContact CG-CG 4.4Å; L478-L482 WeakPolarHBondContact O-CB 3.5Å; L478-L482 PolarHBondContact O-N 3.34Å; M479-L482 PolarHBondContact O-N 3.44Å; L482-K484 PolarHBondContact O-N 3.37Å; L482-R485 CarbonylContact O-C 3.58Å; L482-R485 WeakPolarHBondContact O-CA 3.14Å; L482-R485 WeakPolarHBondContact O-CB 3.28Å; L482-R485 PolarHBondContact O-N 3.42Å; L482-I486 PolarHBondContact O-N 3.48Å; L482-A500 HydrophobicContact CD2-CB 4.34Å; L482-F501 HydrophobicContact CB-CD2 4.22Å; L482-F501 HydrophobicContact CD1-CD2 4.41Å; L482-L504 HydrophobicContact CD1-CD2 4.02Å |
| 483 | L | 98.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.5 | -34.3 | 175.8 | -71.5 | 173.8 | 0 | 0 | 0 | 112.1 | M479 R485 I486 F501 Y518 I519 T522 | M479-L483 HydrophobicContact CG-CD1 4.05Å; M479-L483 WeakPolarHBondContact O-CB 3.37Å; M479-L483 WeakPolarHBondContact O-CG 3.43Å; M479-L483 PolarHBondContact O-N 2.88Å; L483-R485 VanDerWaalsContact C-N 3.3Å; L483-R485 PolarHBondContact O-N 3.49Å; L483-I486 HydrophobicContact CD2-CD1 3.96Å; L483-F501 HydrophobicContact CD2-CD1 4.42Å; L483-F501 HydrophobicContact CD2-CD2 4.38Å; L483-F501 HydrophobicContact CD2-CE1 3.9Å; L483-F501 HydrophobicContact CD2-CE2 3.88Å; L483-F501 HydrophobicContact CD2-CZ 3.63Å; L483-F501 HydrophobicContact CG-CE2 4.09Å; L483-F501 HydrophobicContact CG-CZ 4.23Å; L483-Y518 HydrophobicContact CB-CE1 4.48Å; L483-Y518 HydrophobicContact CD1-CD1 3.52Å; L483-Y518 HydrophobicContact CD1-CE1 3.37Å; L483-Y518 HydrophobicContact CD1-CG 4.43Å; L483-I519 HydrophobicContact CD1-CG1 4.1Å; L483-I519 HydrophobicContact CD2-CG2 4.43Å; L483-T522 HydrophobicContact CB-CG2 4Å; L483-T522 HydrophobicContact CD2-CG2 3.98Å; L483-T522 VanDerWaalsContact O-CG2 3.29Å; L483-T522 WeakPolarHBondContact O-CG2 3.41Å |
| 484 | K | 98.5 | Very high | 96.8 | Very high | 91 Ų | 91 | 24.8 Ų | 24.8 | 40% | 0.396 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -69.6 | -25.2 | 171.2 | -67.5 | 173.1 | -172.7 | 168.9 | 0 | 113.3 | T480 E481 L482 | T480-K484 WeakPolarHBondContact O-CG 3.45Å; T480-K484 PolarHBondContact O-N 3.02Å; E481-K484 WeakPolarHBondContact O-CB 3.46Å; E481-K484 PolarHBondContact O-N 3.43Å; E481-K484 IonicContact OE1-NZ 3.59Å; E481-K484 PolarHBondContact OE1-NZ 2.86Å; E481-K484 WeakPolarHBondContact OE2-CD 3.4Å; E481-K484 IonicContact OE2-NZ 2.86Å; E481-K484 PolarHBondContact OE2-NZ 2.88Å; L482-K484 PolarHBondContact O-N 3.37Å |
| 485 | R | 98.3 | Very high | 96.8 | Very high | 45 Ų | 45 | 24.9 Ų | 24.9 | 17% | 0.17 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -83.4 | -29.1 | 175.7 | -67 | -52.5 | 90.6 | -179.7 | -25 | 113 | L444 E481 L482 L483 L487 D488 V493 A497 | L444-R485 HydrophobicContact CB-CG 4.08Å; L444-R485 HydrophobicContact CD2-CG 4.25Å; L444-R485 WeakPolarHBondContact O-CD 3.4Å; L444-R485 PolarHBondContact O-NH1 3.06Å; E481-R485 WeakPolarHBondContact O-CG 3.2Å; E481-R485 PolarHBondContact O-N 3.29Å; E481-R485 VanDerWaalsContact O-N 3.1Å; L482-R485 CarbonylContact O-C 3.58Å; L482-R485 WeakPolarHBondContact O-CA 3.14Å; L482-R485 WeakPolarHBondContact O-CB 3.28Å; L482-R485 PolarHBondContact O-N 3.42Å; L483-R485 VanDerWaalsContact C-N 3.3Å; L483-R485 PolarHBondContact O-N 3.49Å; R485-L487 PolarHBondContact O-N 3.16Å; R485-L487 VanDerWaalsContact O-N 3.15Å; R485-D488 IonicContact CZ-OD2 3.07Å; R485-D488 IonicContact NE-OD2 2.87Å; R485-D488 IonicContact NH1-OD2 2.66Å; R485-D488 PolarHBondContact NH1-OD2 2.97Å; R485-D488 IonicContact NH2-OD2 3.81Å; R485-D488 WeakPolarHBondContact O-CB 3.28Å; R485-D488 PolarHBondContact O-N 3.26Å; R485-V493 HydrophobicContact CB-CG1 4.26Å; R485-A497 VanDerWaalsContact C-CB 3.4Å; R485-A497 HydrophobicContact CB-CB 3.43Å; R485-A497 VanDerWaalsContact CB-CB 3.43Å |
| 486 | I | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -53.5 | -34.7 | 166.1 | -69.1 | -176.4 | 0 | 0 | 0 | 109.6 | L482 L483 A497 F501 T522 L523 A526 Y530 | L482-I486 PolarHBondContact O-N 3.48Å; L483-I486 HydrophobicContact CD2-CD1 3.96Å; I486-A497 HydrophobicContact CG1-CB 4.17Å; I486-F501 HydrophobicContact CD1-CB 3.92Å; I486-F501 HydrophobicContact CD1-CD1 3.87Å; I486-F501 HydrophobicContact CD1-CG 3.88Å; I486-T522 HydrophobicContact CB-CG2 4.38Å; I486-T522 HydrophobicContact CG2-CG2 4.23Å; I486-L523 HydrophobicContact CD1-CD2 3.91Å; I486-L523 HydrophobicContact CG2-CD2 4.44Å; I486-A526 HydrophobicContact CG2-CB 4.24Å; I486-Y530 VanDerWaalsContact CG2-OH 3.23Å; I486-Y530 WeakPolarHBondContact CG2-OH 3.29Å; I486-Y530 WeakPolarHBondContact O-CE1 3.28Å; I486-Y530 VanDerWaalsContact O-CZ 3.32Å; I486-Y530 PolarHBondContact O-OH 3.06Å |
| 487 | L | 98.1 | Very high | 96.7 | Very high | 45 Ų | 45 | 21.7 Ų | 21.7 | 24% | 0.236 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 23.9 | 177.3 | -54 | -175.8 | 0 | 0 | 0 | 114.3 | R485 T522 F525 A526 K529 | R485-L487 PolarHBondContact O-N 3.16Å; R485-L487 VanDerWaalsContact O-N 3.15Å; L487-T522 HydrophobicContact CD1-CG2 3.91Å; L487-T522 HydrophobicContact CD2-CG2 4.32Å; L487-T522 HydrophobicContact CG-CG2 3.85Å; L487-F525 HydrophobicContact CD1-CD1 3.75Å; L487-F525 HydrophobicContact CD1-CE1 4.34Å; L487-F525 HydrophobicContact CD1-CG 4.35Å; L487-F525 HydrophobicContact CD2-CD1 3.76Å; L487-F525 HydrophobicContact CG-CD1 4.37Å; L487-A526 HydrophobicContact CD2-CB 3.95Å; L487-K529 HydrophobicContact CB-CD 4.33Å; L487-K529 HydrophobicContact CD2-CD 4.16Å; L487-K529 WeakPolarHBondContact O-CE 3.4Å; L487-K529 PolarHBondContact O-NZ 2.96Å |
| 488 | D | 98.1 | Very high | 96.5 | Very high | 6 Ų | 6 | 19.5 Ų | 19.5 | 3% | 0.032 | 10% | 0.097 | C | C | . | . | trans | -62.6 | 159.1 | 179.9 | -160 | -84.1 | 0 | 0 | 0 | 112.6 | R452 R485 N490 V493 Q494 K529 | R452-D488 IonicContact CZ-OD1 3.55Å; R452-D488 IonicContact CZ-OD2 3.75Å; R452-D488 IonicContact NE-OD1 3.75Å; R452-D488 IonicContact NE-OD2 3.02Å; R452-D488 PolarHBondContact NE-OD2 3.15Å; R452-D488 IonicContact NH2-OD1 2.58Å; R452-D488 PolarHBondContact NH2-OD1 3.22Å; R452-D488 IonicContact NH2-OD2 3.82Å; R485-D488 IonicContact CZ-OD2 3.07Å; R485-D488 IonicContact NE-OD2 2.87Å; R485-D488 IonicContact NH1-OD2 2.66Å; R485-D488 PolarHBondContact NH1-OD2 2.97Å; R485-D488 IonicContact NH2-OD2 3.81Å; R485-D488 WeakPolarHBondContact O-CB 3.28Å; R485-D488 PolarHBondContact O-N 3.26Å; D488-N490 VanDerWaalsContact C-N 3.26Å; D488-N490 PolarHBondContact O-N 3.28Å; D488-N490 PolarHBondContact OD1-N 2.85Å; D488-V493 HydrophobicContact CB-CB 3.81Å; D488-V493 HydrophobicContact CB-CG1 3.57Å; D488-V493 VanDerWaalsContact CG-CG1 3.45Å; D488-Q494 HydrophobicContact CB-CG 4.46Å; D488-Q494 WeakPolarHBondContact O-CG 3.49Å; D488-Q494 PolarHBondContact O-NE2 3.03Å; D488-K529 WeakPolarHBondContact O-CE 3.45Å | ||
| 489 | G | 96.1 | Very high | 96.3 | Very high | 17 Ų | 17 | 21.4 Ų | 21.4 | 18% | 0.175 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -73.3 | -18.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | E322 D323 E324 | E322-G489 CarbonylContact C-O 3.5Å; E322-G489 VanDerWaalsContact CA-O 3.3Å; E322-G489 WeakPolarHBondContact CA-O 3.47Å; D323-G489 PolarHBondContact N-O 3.38Å; E324-G489 WeakPolarHBondContact CB-O 3.37Å; E324-G489 PolarHBondContact N-O 3Å; E324-G489 WeakPolarHBondContact OE2-CA 3.49Å |
| 490 | N | 95 | Very high | 96 | Very high | 11 Ų | 11 | 21.4 Ų | 21.4 | 6% | 0.059 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -106 | 130.2 | -179 | -178.8 | -83 | 0 | 0 | 0 | 111.6 | V320 E321 D323 A449 D488 R492 V493 Q494 | V320-N490 PolarHBondContact O-ND2 3.4Å; E321-N490 WeakPolarHBondContact O-CB 3.29Å; D323-N490 VanDerWaalsContact OD1-CA 3.26Å; D323-N490 WeakPolarHBondContact OD1-CA 3.12Å; A449-N490 HydrophobicContact CB-CB 4.02Å; D488-N490 VanDerWaalsContact C-N 3.26Å; D488-N490 PolarHBondContact O-N 3.28Å; D488-N490 PolarHBondContact OD1-N 2.85Å; N490-R492 VanDerWaalsContact C-N 3.35Å; N490-R492 PolarHBondContact O-N 3.41Å; N490-R492 WeakPolarHBondContact OD1-CA 3.49Å; N490-R492 WeakPolarHBondContact OD1-CB 3.41Å; N490-R492 PolarHBondContact OD1-N 2.87Å; N490-V493 HydrophobicContact CB-CB 4.29Å; N490-V493 HydrophobicContact CB-CG2 3.97Å; N490-V493 PolarHBondContact O-N 3.08Å; N490-V493 VanDerWaalsContact O-N 3.15Å; N490-V493 PolarHBondContact OD1-N 3.36Å; N490-V493 VanDerWaalsContact OD1-N 3.17Å; N490-Q494 WeakPolarHBondContact O-CG 3.29Å; N490-Q494 PolarHBondContact O-N 2.99Å |
| 491 | K | 92.9 | Very high | 96 | Very high | 23 Ų | 23 | 19.6 Ų | 19.6 | 10% | 0.1 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.5 | -36 | -177.3 | -67.9 | -171.5 | -63.4 | 176.7 | 0 | 113.3 | D323 V326 D328 V493 Q494 E495 Q531 N534 | D323-K491 PolarHBondContact OD1-N 3.36Å; D323-K491 WeakPolarHBondContact OD2-CE 3.29Å; V326-K491 PolarHBondContact O-NZ 3.04Å; D328-K491 IonicContact OD1-NZ 3.64Å; D328-K491 PolarHBondContact OD1-NZ 3.31Å; K491-V493 VanDerWaalsContact C-N 3.32Å; K491-V493 PolarHBondContact O-N 2.98Å; K491-Q494 WeakPolarHBondContact O-CB 3.21Å; K491-Q494 PolarHBondContact O-N 3Å; K491-E495 PolarHBondContact O-N 3.07Å; K491-Q531 HydrophobicContact CD-CB 4.28Å; K491-Q531 HydrophobicContact CD-CG 4.02Å; K491-N534 PolarHBondContact O-ND2 3.13Å |
| 492 | R | 91.3 | Very high | 95.6 | Very high | 56 Ų | 56 | 18.5 Ų | 18.5 | 21% | 0.211 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -67.7 | -34.6 | 176.4 | -167.3 | -174 | -173.1 | 103.3 | -0.8 | 112.1 | L316 D365 N490 A496 | L316-R492 VanDerWaalsContact CD2-NH1 3.28Å; D365-R492 VanDerWaalsContact CG-NH1 3.31Å; D365-R492 IonicContact OD1-NH1 2.86Å; D365-R492 PolarHBondContact OD1-NH1 3.22Å; D365-R492 VanDerWaalsContact OD1-NH1 3.13Å; D365-R492 IonicContact OD2-CZ 3.75Å; D365-R492 IonicContact OD2-NH1 3.28Å; D365-R492 PolarHBondContact OD2-NH1 3.2Å; D365-R492 IonicContact OD2-NH2 2.77Å; D365-R492 PolarHBondContact OD2-NH2 3.13Å; N490-R492 VanDerWaalsContact C-N 3.35Å; N490-R492 PolarHBondContact O-N 3.41Å; N490-R492 WeakPolarHBondContact OD1-CA 3.49Å; N490-R492 WeakPolarHBondContact OD1-CB 3.41Å; N490-R492 PolarHBondContact OD1-N 2.87Å; R492-A496 WeakPolarHBondContact O-CB 3.25Å; R492-A496 PolarHBondContact O-N 3.44Å |
| 493 | V | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -72 | -38.2 | 174.9 | -177.7 | 0 | 0 | 0 | 0 | 110.8 | A449 R452 R485 D488 N490 K491 A497 | A449-V493 HydrophobicContact CB-CG2 3.84Å; A449-V493 VanDerWaalsContact O-CG2 3.3Å; A449-V493 WeakPolarHBondContact O-CG2 3.49Å; R452-V493 HydrophobicContact CB-CG1 3.93Å; R452-V493 HydrophobicContact CB-CG2 4.01Å; R485-V493 HydrophobicContact CB-CG1 4.26Å; D488-V493 HydrophobicContact CB-CB 3.81Å; D488-V493 HydrophobicContact CB-CG1 3.57Å; D488-V493 VanDerWaalsContact CG-CG1 3.45Å; N490-V493 HydrophobicContact CB-CB 4.29Å; N490-V493 HydrophobicContact CB-CG2 3.97Å; N490-V493 PolarHBondContact O-N 3.08Å; N490-V493 VanDerWaalsContact O-N 3.15Å; N490-V493 PolarHBondContact OD1-N 3.36Å; N490-V493 VanDerWaalsContact OD1-N 3.17Å; K491-V493 VanDerWaalsContact C-N 3.32Å; K491-V493 PolarHBondContact O-N 2.98Å; V493-A497 WeakPolarHBondContact O-CB 3.21Å; V493-A497 PolarHBondContact O-N 3.17Å |
| 494 | Q | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.2 | -51.4 | 173.8 | -68.1 | 170.4 | 2.9 | 0 | 0 | 111.1 | D488 N490 K491 A497 C498 Y530 N534 | D488-Q494 HydrophobicContact CB-CG 4.46Å; D488-Q494 WeakPolarHBondContact O-CG 3.49Å; D488-Q494 PolarHBondContact O-NE2 3.03Å; N490-Q494 WeakPolarHBondContact O-CG 3.29Å; N490-Q494 PolarHBondContact O-N 2.99Å; K491-Q494 WeakPolarHBondContact O-CB 3.21Å; K491-Q494 PolarHBondContact O-N 3Å; Q494-A497 PolarHBondContact O-N 2.94Å; Q494-C498 VanDerWaalsContact O-CB 3.29Å; Q494-C498 WeakPolarHBondContact O-CB 3.49Å; Q494-C498 PolarHBondContact O-N 3Å; Q494-Y530 HydrophobicContact CB-CE1 3.82Å; Q494-Y530 HydrophobicContact CG-CE1 3.77Å; Q494-N534 WeakPolarHBondContact CB-ND2 3.42Å; Q494-N534 PolarHBondContact OE1-ND2 3.27Å |
| 495 | E | 93.1 | Very high | 94.4 | Very high | 16 Ų | 16 | 16.1 Ų | 16.1 | 8% | 0.075 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -53.9 | -60.1 | 174.5 | 162 | 167.8 | -144.9 | 0 | 0 | 111.5 | D364 K491 A497 C498 S499 K533 I537 | D364-E495 VanDerWaalsContact CG-OE1 3.31Å; K491-E495 PolarHBondContact O-N 3.07Å; E495-A497 VanDerWaalsContact C-N 3.25Å; E495-A497 PolarHBondContact O-N 2.95Å; E495-C498 PolarHBondContact O-N 3.37Å; E495-S499 PolarHBondContact O-N 2.92Å; E495-S499 PolarHBondContact O-OG 3.3Å; E495-K533 VanDerWaalsContact OE1-CE 3.27Å; E495-K533 WeakPolarHBondContact OE1-CE 3.4Å; E495-K533 IonicContact OE1-NZ 2.81Å; E495-K533 PolarHBondContact OE1-NZ 3.06Å; E495-K533 IonicContact OE2-NZ 3.97Å; E495-K533 PolarHBondContact OE2-NZ 3.33Å; E495-I537 HydrophobicContact CB-CD1 3.86Å; E495-I537 HydrophobicContact CG-CD1 3.52Å |
| 496 | A | 93.3 | Very high | 93.8 | Very high | 16 Ų | 16 | 18 Ų | 18 | 13% | 0.132 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.9 | -34.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S453 C456 R492 A500 | S453-A496 WeakPolarHBondContact OG-CB 3.5Å; C456-A496 HydrophobicContact CB-CB 4.18Å; C456-A496 WeakPolarHBondContact CB-O 3.44Å; R492-A496 WeakPolarHBondContact O-CB 3.25Å; R492-A496 PolarHBondContact O-N 3.44Å; A496-A500 WeakPolarHBondContact O-CB 3.44Å; A496-A500 PolarHBondContact O-N 3.17Å |
| 497 | A | 97.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -72.7 | -38.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R485 I486 V493 Q494 E495 F501 | R485-A497 VanDerWaalsContact C-CB 3.4Å; R485-A497 HydrophobicContact CB-CB 3.43Å; R485-A497 VanDerWaalsContact CB-CB 3.43Å; I486-A497 HydrophobicContact CG1-CB 4.17Å; V493-A497 WeakPolarHBondContact O-CB 3.21Å; V493-A497 PolarHBondContact O-N 3.17Å; Q494-A497 PolarHBondContact O-N 2.94Å; E495-A497 VanDerWaalsContact C-N 3.25Å; E495-A497 PolarHBondContact O-N 2.95Å; A497-F501 WeakPolarHBondContact O-CB 3.32Å; A497-F501 PolarHBondContact O-N 2.7Å |
| 498 | C | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -69.8 | -45.1 | 179.7 | -154.9 | 0 | 0 | 0 | 0 | 110.6 | Q494 E495 F501 A502 I537 A541 | Q494-C498 VanDerWaalsContact O-CB 3.29Å; Q494-C498 WeakPolarHBondContact O-CB 3.49Å; Q494-C498 PolarHBondContact O-N 3Å; E495-C498 PolarHBondContact O-N 3.37Å; C498-F501 PolarHBondContact O-N 3.08Å; C498-A502 PolarHBondContact O-N 3.27Å; C498-I537 HydrophobicContact CB-CG2 3.87Å; C498-A541 VanDerWaalsContact SG-CB 3.6Å |
| 499 | S | 92.1 | Very high | 92.4 | Very high | 42 Ų | 42 | 22.1 Ų | 22.1 | 29% | 0.294 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -62.7 | -46.3 | 174.7 | -49.6 | 0 | 0 | 0 | 0 | 111.7 | E495 F501 A502 T503 | E495-S499 PolarHBondContact O-N 2.92Å; E495-S499 PolarHBondContact O-OG 3.3Å; S499-F501 PolarHBondContact O-N 3.05Å; S499-A502 WeakPolarHBondContact O-CB 3.49Å; S499-A502 PolarHBondContact O-N 3.19Å; S499-A502 VanDerWaalsContact O-N 3.17Å; S499-T503 PolarHBondContact O-N 3.45Å; S499-T503 VanDerWaalsContact O-N 3.11Å; S499-T503 PolarHBondContact O-OG1 3.31Å |
| 500 | A | 93.1 | Very high | 92.1 | Very high | 3 Ų | 3 | 25 Ų | 25 | 3% | 0.025 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.2 | -31.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | C456 L482 A496 L504 | C456-A500 HydrophobicContact CB-CB 3.87Å; C456-A500 VanDerWaalsContact O-CB 3.29Å; C456-A500 WeakPolarHBondContact O-CB 3.45Å; L482-A500 HydrophobicContact CD2-CB 4.34Å; A496-A500 WeakPolarHBondContact O-CB 3.44Å; A496-A500 PolarHBondContact O-N 3.17Å; A500-L504 PolarHBondContact O-N 3.04Å |
| 501 | F | 96.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -73.6 | -39.3 | 175.8 | -168.3 | -108.3 | 0 | 0 | 0 | 112 | M479 L482 L483 I486 A497 C498 S499 T503 L504 E505 I519 | M479-F501 HydrophobicContact CG-CE2 3.9Å; M479-F501 HydrophobicContact CG-CZ 4.43Å; L482-F501 HydrophobicContact CB-CD2 4.22Å; L482-F501 HydrophobicContact CD1-CD2 4.41Å; L483-F501 HydrophobicContact CD2-CD1 4.42Å; L483-F501 HydrophobicContact CD2-CD2 4.38Å; L483-F501 HydrophobicContact CD2-CE1 3.9Å; L483-F501 HydrophobicContact CD2-CE2 3.88Å; L483-F501 HydrophobicContact CD2-CZ 3.63Å; L483-F501 HydrophobicContact CG-CE2 4.09Å; L483-F501 HydrophobicContact CG-CZ 4.23Å; I486-F501 HydrophobicContact CD1-CB 3.92Å; I486-F501 HydrophobicContact CD1-CD1 3.87Å; I486-F501 HydrophobicContact CD1-CG 3.88Å; A497-F501 WeakPolarHBondContact O-CB 3.32Å; A497-F501 PolarHBondContact O-N 2.7Å; C498-F501 PolarHBondContact O-N 3.08Å; S499-F501 PolarHBondContact O-N 3.05Å; F501-T503 PolarHBondContact O-N 2.98Å; F501-L504 HydrophobicContact CD2-CD2 4.28Å; F501-L504 HydrophobicContact CE2-CD2 4.34Å; F501-L504 CarbonylContact O-C 3.48Å; F501-L504 WeakPolarHBondContact O-CA 3.42Å; F501-L504 WeakPolarHBondContact O-CB 3.36Å; F501-L504 PolarHBondContact O-N 3.25Å; F501-L504 VanDerWaalsContact O-N 3.07Å; F501-E505 HydrophobicContact CD1-CG 4.12Å; F501-E505 WeakPolarHBondContact CD1-OE1 3.15Å; F501-E505 HydrophobicContact CE1-CG 3.92Å; F501-E505 WeakPolarHBondContact CE1-OE1 3.33Å; F501-E505 HydrophobicContact CZ-CG 4.38Å; F501-E505 WeakPolarHBondContact O-CG 3.38Å; F501-E505 PolarHBondContact O-N 3.38Å; F501-I519 HydrophobicContact CE1-CG2 3.65Å; F501-I519 HydrophobicContact CZ-CD1 4.15Å; F501-I519 HydrophobicContact CZ-CG1 4.02Å; F501-I519 HydrophobicContact CZ-CG2 3.79Å |
| 502 | A | 90.1 | Very high | 92 | Very high | 15 Ų | 15 | 28 Ų | 28 | 12% | 0.124 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.4 | -45.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | C498 S499 L504 E505 E506 A541 T544 | C498-A502 PolarHBondContact O-N 3.27Å; S499-A502 WeakPolarHBondContact O-CB 3.49Å; S499-A502 PolarHBondContact O-N 3.19Å; S499-A502 VanDerWaalsContact O-N 3.17Å; A502-L504 VanDerWaalsContact C-N 3.28Å; A502-L504 PolarHBondContact O-N 3.32Å; A502-E505 WeakPolarHBondContact O-CB 3.46Å; A502-E505 PolarHBondContact O-N 2.92Å; A502-E506 PolarHBondContact O-N 3.49Å; A502-E506 VanDerWaalsContact O-N 3.11Å; A502-A541 HydrophobicContact CB-CB 4.36Å; A502-T544 HydrophobicContact CB-CG2 4.47Å |
| 503 | T | 88.8 | Confident | 92.3 | Very high | 42 Ų | 42 | 27.1 Ų | 27.1 | 26% | 0.258 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -59.2 | -39.4 | 172.9 | -46.8 | 0 | 0 | 0 | 0 | 112.2 | S499 F501 E505 E506 E507 | S499-T503 PolarHBondContact O-N 3.45Å; S499-T503 VanDerWaalsContact O-N 3.11Å; S499-T503 PolarHBondContact O-OG1 3.31Å; F501-T503 PolarHBondContact O-N 2.98Å; T503-E505 VanDerWaalsContact C-N 3.3Å; T503-E505 PolarHBondContact O-N 3.26Å; T503-E506 PolarHBondContact O-N 2.99Å; T503-E507 PolarHBondContact O-N 3.05Å |
| 504 | L | 92.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.5 | -33.5 | 176.5 | -176.6 | 64.3 | 0 | 0 | 0 | 112 | A463 V467 L475 L478 M479 L482 A500 F501 A502 A508 | A463-L504 HydrophobicContact CB-CD1 3.96Å; V467-L504 HydrophobicContact CG2-CD1 4.03Å; L475-L504 HydrophobicContact CD1-CD1 3.81Å; L475-L504 HydrophobicContact CD1-CD2 4.23Å; L475-L504 HydrophobicContact CD1-CG 4.29Å; L478-L504 HydrophobicContact CD2-CD1 4.33Å; L478-L504 HydrophobicContact CD2-CD2 4.3Å; L478-L504 HydrophobicContact CG-CD2 4.34Å; M479-L504 HydrophobicContact CB-CD2 4.38Å; L482-L504 HydrophobicContact CD1-CD2 4.02Å; A500-L504 PolarHBondContact O-N 3.04Å; F501-L504 HydrophobicContact CD2-CD2 4.28Å; F501-L504 HydrophobicContact CE2-CD2 4.34Å; F501-L504 CarbonylContact O-C 3.48Å; F501-L504 WeakPolarHBondContact O-CA 3.42Å; F501-L504 WeakPolarHBondContact O-CB 3.36Å; F501-L504 PolarHBondContact O-N 3.25Å; F501-L504 VanDerWaalsContact O-N 3.07Å; A502-L504 VanDerWaalsContact C-N 3.28Å; A502-L504 PolarHBondContact O-N 3.32Å; L504-A508 WeakPolarHBondContact O-CB 3.25Å; L504-A508 PolarHBondContact O-N 2.93Å |
| 505 | E | 90.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.1 | -45.8 | 175.3 | -69.8 | 169.4 | 153.4 | 0 | 0 | 111.8 | F501 A502 T503 E507 A508 C509 L512 T544 L545 S548 | F501-E505 HydrophobicContact CD1-CG 4.12Å; F501-E505 WeakPolarHBondContact CD1-OE1 3.15Å; F501-E505 HydrophobicContact CE1-CG 3.92Å; F501-E505 WeakPolarHBondContact CE1-OE1 3.33Å; F501-E505 HydrophobicContact CZ-CG 4.38Å; F501-E505 WeakPolarHBondContact O-CG 3.38Å; F501-E505 PolarHBondContact O-N 3.38Å; A502-E505 WeakPolarHBondContact O-CB 3.46Å; A502-E505 PolarHBondContact O-N 2.92Å; T503-E505 VanDerWaalsContact C-N 3.3Å; T503-E505 PolarHBondContact O-N 3.26Å; E505-E507 VanDerWaalsContact C-N 3.32Å; E505-E507 PolarHBondContact O-N 3.16Å; E505-A508 PolarHBondContact O-N 3.04Å; E505-C509 PolarHBondContact O-N 3.12Å; E505-L512 HydrophobicContact CB-CD1 3.99Å; E505-L512 HydrophobicContact CG-CD1 3.61Å; E505-T544 HydrophobicContact CB-CG2 3.94Å; E505-L545 HydrophobicContact CG-CD1 4.28Å; E505-L545 WeakPolarHBondContact OE1-CB 3.4Å; E505-L545 WeakPolarHBondContact OE1-CD1 3.36Å; E505-L545 PolarHBondContact OE2-N 3.19Å; E505-S548 PolarHBondContact O-OG 3.05Å; E505-S548 VanDerWaalsContact O-OG 3.11Å |
| 506 | E | 84.4 | Confident | 92.5 | Very high | 84 Ų | 84 | 33.4 Ų | 33.4 | 39% | 0.393 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.5 | -43.2 | 177.2 | -66.1 | 177.8 | -175.2 | 0 | 0 | 111.9 | A502 T503 C509 T544 | A502-E506 PolarHBondContact O-N 3.49Å; A502-E506 VanDerWaalsContact O-N 3.11Å; T503-E506 PolarHBondContact O-N 2.99Å; E506-C509 PolarHBondContact O-SG 3.09Å; E506-T544 HydrophobicContact CG-CG2 3.4Å; E506-T544 VanDerWaalsContact CG-CG2 3.4Å |
| 507 | E | 84.8 | Confident | 92.7 | Very high | 82 Ų | 82 | 34.2 Ų | 34.2 | 38% | 0.383 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -72.7 | -42.8 | 179.2 | -72.6 | -65.6 | 160 | 0 | 0 | 112.6 | A463 H464 V467 T503 E505 | A463-E507 HydrophobicContact CB-CB 4.25Å; A463-E507 HydrophobicContact CB-CG 4Å; H464-E507 WeakPolarHBondContact CA-OE2 3.29Å; H464-E507 VanDerWaalsContact CB-OE2 3.32Å; H464-E507 WeakPolarHBondContact CB-OE2 3.29Å; H464-E507 IonicContact CD2-OE2 2.7Å; H464-E507 PolarHBondContact CD2-OE2 3.41Å; H464-E507 VanDerWaalsContact CD2-OE2 3.32Å; H464-E507 IonicContact CG-OE2 3.68Å; V467-E507 HydrophobicContact CG2-CB 4.12Å; T503-E507 PolarHBondContact O-N 3.05Å; E505-E507 VanDerWaalsContact C-N 3.32Å; E505-E507 PolarHBondContact O-N 3.16Å |
| 508 | A | 88.6 | Confident | 92.7 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 2% | 0.017 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -77.7 | -30.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V467 L504 E505 T510 E511 L512 | V467-A508 HydrophobicContact CG1-CB 4.47Å; V467-A508 HydrophobicContact CG2-CB 3.84Å; L504-A508 WeakPolarHBondContact O-CB 3.25Å; L504-A508 PolarHBondContact O-N 2.93Å; E505-A508 PolarHBondContact O-N 3.04Å; A508-T510 PolarHBondContact O-N 3.23Å; A508-T510 VanDerWaalsContact O-N 3.14Å; A508-E511 HydrophobicContact CB-CB 4.4Å; A508-E511 VanDerWaalsContact O-CB 3.22Å; A508-E511 WeakPolarHBondContact O-CB 3.42Å; A508-E511 WeakPolarHBondContact O-CG 3.25Å; A508-E511 PolarHBondContact O-N 3.48Å; A508-L512 HydrophobicContact CB-CD1 4.11Å; A508-L512 HydrophobicContact CB-CD2 3.72Å; A508-L512 HydrophobicContact CB-CG 3.6Å |
| 509 | C | 91.6 | Very high | 92.9 | Very high | 55 Ų | 55 | 38.8 Ų | 38.8 | 37% | 0.372 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | 46.1 | -120.3 | -178.8 | -75.2 | 0 | 0 | 0 | 0 | 111.6 | E505 E506 E511 L512 S548 | E505-C509 PolarHBondContact O-N 3.12Å; E506-C509 PolarHBondContact O-SG 3.09Å; C509-E511 PolarHBondContact O-N 3.06Å; C509-L512 PolarHBondContact O-N 3.32Å; C509-S548 CarbonylContact C-O 3.57Å |
| 510 | T | 90.3 | Very high | 93.2 | Very high | 78 Ų | 78 | 36.9 Ų | 36.9 | 48% | 0.479 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -68.3 | -14.1 | -178.2 | 49.9 | 0 | 0 | 0 | 0 | 114.5 | A508 L512 V513 | A508-T510 PolarHBondContact O-N 3.23Å; A508-T510 VanDerWaalsContact O-N 3.14Å; T510-L512 PolarHBondContact O-N 3.1Å; T510-V513 WeakPolarHBondContact O-CB 3.27Å; T510-V513 VanDerWaalsContact O-CG2 3.29Å; T510-V513 WeakPolarHBondContact O-CG2 3.43Å; T510-V513 PolarHBondContact O-N 3.2Å; T510-V513 VanDerWaalsContact O-N 3.16Å |
| 511 | E | 91.5 | Very high | 93.4 | Very high | 95 Ų | 95 | 40.5 Ų | 40.5 | 44% | 0.444 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -66.2 | -15 | 175.7 | -61.8 | -60.2 | 135 | 0 | 0 | 112.4 | L475 A508 C509 P514 | L475-E511 HydrophobicContact CD2-CB 4.34Å; A508-E511 HydrophobicContact CB-CB 4.4Å; A508-E511 VanDerWaalsContact O-CB 3.22Å; A508-E511 WeakPolarHBondContact O-CB 3.42Å; A508-E511 WeakPolarHBondContact O-CG 3.25Å; A508-E511 PolarHBondContact O-N 3.48Å; C509-E511 PolarHBondContact O-N 3.06Å; E511-P514 WeakPolarHBondContact O-CD 3.49Å |
| 512 | L | 95.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -82.9 | -17.4 | 175.2 | -62.3 | -176.7 | 0 | 0 | 0 | 114.3 | M479 E505 A508 C509 T510 P514 Y515 L516 I519 L545 V549 | M479-L512 HydrophobicContact SD-CD2 4.22Å; E505-L512 HydrophobicContact CB-CD1 3.99Å; E505-L512 HydrophobicContact CG-CD1 3.61Å; A508-L512 HydrophobicContact CB-CD1 4.11Å; A508-L512 HydrophobicContact CB-CD2 3.72Å; A508-L512 HydrophobicContact CB-CG 3.6Å; C509-L512 PolarHBondContact O-N 3.32Å; T510-L512 PolarHBondContact O-N 3.1Å; L512-P514 VanDerWaalsContact C-N 3.31Å; L512-Y515 PolarHBondContact O-N 2.97Å; L512-L516 PolarHBondContact O-N 3.05Å; L512-I519 HydrophobicContact CB-CD1 4.04Å; L512-I519 HydrophobicContact CD1-CD1 4.41Å; L512-I519 HydrophobicContact CD2-CD1 4.29Å; L512-I519 HydrophobicContact CG-CD1 4.49Å; L512-L545 HydrophobicContact CD1-CD1 4.35Å; L512-V549 HydrophobicContact CB-CG1 4.37Å |
| 513 | V | 96.6 | Very high | 93.9 | Very high | 39 Ų | 39 | 40.3 Ų | 40.3 | 24% | 0.236 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -51.5 | -41.4 | -177.2 | 173.7 | 0 | 0 | 0 | 0 | 113.3 | T510 Y515 L516 V549 H552 | T510-V513 WeakPolarHBondContact O-CB 3.27Å; T510-V513 VanDerWaalsContact O-CG2 3.29Å; T510-V513 WeakPolarHBondContact O-CG2 3.43Å; T510-V513 PolarHBondContact O-N 3.2Å; T510-V513 VanDerWaalsContact O-N 3.16Å; V513-Y515 PolarHBondContact O-N 3.34Å; V513-Y515 VanDerWaalsContact O-N 3.15Å; V513-L516 WeakPolarHBondContact O-CB 3.47Å; V513-L516 PolarHBondContact O-N 2.89Å; V513-V549 HydrophobicContact CG2-CB 4.18Å; V513-V549 HydrophobicContact CG2-CG1 4.3Å; V513-H552 HydrophobicContact CG1-CB 4.11Å; V513-H552 HydrophobicContact CG2-CB 3.86Å |
| 514 | P | 97.1 | Very high | 94.3 | Very high | 100 Ų | 100 | 40.2 Ų | 40.2 | 65% | 0.649 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -61.8 | -20.5 | 177 | -23.5 | 35.7 | 0 | 0 | 0 | 114.9 | E511 L512 | E511-P514 WeakPolarHBondContact O-CD 3.49Å; L512-P514 VanDerWaalsContact C-N 3.31Å |
| 515 | Y | 97.4 | Very high | 94.6 | Very high | 46 Ų | 46 | 46.3 Ų | 46.3 | 18% | 0.18 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -110.1 | 1.3 | -174.9 | -48.9 | -72.6 | 0 | 0 | 0 | 113 | K476 M479 L512 V513 S517 Y518 I519 | K476-Y515 HydrophobicContact CD-CE1 4.1Å; K476-Y515 HydrophobicContact CG-CE1 4.21Å; M479-Y515 HydrophobicContact CE-CD1 3.61Å; M479-Y515 HydrophobicContact CE-CD2 3.95Å; M479-Y515 HydrophobicContact CE-CE1 4.22Å; M479-Y515 HydrophobicContact CE-CG 3.44Å; M479-Y515 VanDerWaalsContact CE-CG 3.44Å; M479-Y515 HydrophobicContact SD-CD1 4.49Å; M479-Y515 HydrophobicContact SD-CD2 3.81Å; M479-Y515 HydrophobicContact SD-CG 3.73Å; L512-Y515 PolarHBondContact O-N 2.97Å; V513-Y515 PolarHBondContact O-N 3.34Å; V513-Y515 VanDerWaalsContact O-N 3.15Å; Y515-S517 VanDerWaalsContact C-N 3.32Å; Y515-S517 PolarHBondContact O-N 3.4Å; Y515-S517 VanDerWaalsContact O-N 3.16Å; Y515-Y518 WeakPolarHBondContact O-CB 3.16Å; Y515-Y518 PolarHBondContact O-N 3.13Å; Y515-I519 PolarHBondContact O-N 3.14Å; Y515-I519 VanDerWaalsContact O-N 3.11Å |
| 516 | L | 96.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.8 | -40.5 | -168 | -173.4 | 55.2 | 0 | 0 | 0 | 114 | L512 V513 Y518 I519 L520 L545 V549 L553 Y558 | L512-L516 PolarHBondContact O-N 3.05Å; V513-L516 WeakPolarHBondContact O-CB 3.47Å; V513-L516 PolarHBondContact O-N 2.89Å; L516-Y518 VanDerWaalsContact C-N 3.33Å; L516-Y518 PolarHBondContact O-N 2.98Å; L516-I519 PolarHBondContact O-N 3.38Å; L516-L520 HydrophobicContact CD1-CD1 4.1Å; L516-L520 HydrophobicContact CD1-CG 4.07Å; L516-L520 HydrophobicContact CG-CD1 3.95Å; L516-L520 HydrophobicContact CG-CG 4.39Å; L516-L520 WeakPolarHBondContact O-CB 3.48Å; L516-L520 VanDerWaalsContact O-CG 3.29Å; L516-L520 WeakPolarHBondContact O-CG 3.39Å; L516-L520 PolarHBondContact O-N 2.95Å; L516-L545 HydrophobicContact CD1-CD1 4.09Å; L516-L545 HydrophobicContact CD1-CD2 4.04Å; L516-L545 HydrophobicContact CD1-CG 4.27Å; L516-V549 HydrophobicContact CD1-CG1 4.35Å; L516-V549 HydrophobicContact CD1-CG2 4.36Å; L516-V549 HydrophobicContact CD2-CG2 4.18Å; L516-L553 HydrophobicContact CD1-CD1 4.34Å; L516-L553 HydrophobicContact CD2-CD1 4.25Å; L516-Y558 HydrophobicContact CB-CE2 4.39Å; L516-Y558 HydrophobicContact CD2-CD2 3.77Å; L516-Y558 HydrophobicContact CD2-CE2 3.54Å; L516-Y558 HydrophobicContact CG-CD2 4.24Å; L516-Y558 HydrophobicContact CG-CE2 3.97Å |
| 517 | S | 96.7 | Very high | 95.5 | Very high | 34 Ų | 34 | 43.4 Ų | 43.4 | 24% | 0.238 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.4 | -39.1 | 177.8 | -162.6 | 0 | 0 | 0 | 0 | 112.4 | Y515 D521 E557 K561 | Y515-S517 VanDerWaalsContact C-N 3.32Å; Y515-S517 PolarHBondContact O-N 3.4Å; Y515-S517 VanDerWaalsContact O-N 3.16Å; S517-D521 WeakPolarHBondContact O-CB 3.32Å; S517-D521 VanDerWaalsContact O-CG 3.23Å; S517-D521 PolarHBondContact O-N 3.16Å; S517-E557 PolarHBondContact OG-OE1 2.88Å; S517-E557 VanDerWaalsContact OG-OE1 3.08Å; S517-K561 PolarHBondContact OG-NZ 3.08Å |
| 518 | Y | 97.9 | Very high | 95.9 | Very high | 96 Ų | 96 | 43.2 Ų | 43.2 | 38% | 0.376 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -71.9 | -38.9 | 178.9 | 178 | -124.1 | 0 | 0 | 0 | 112.4 | L483 Y515 L516 T522 | L483-Y518 HydrophobicContact CB-CE1 4.48Å; L483-Y518 HydrophobicContact CD1-CD1 3.52Å; L483-Y518 HydrophobicContact CD1-CE1 3.37Å; L483-Y518 HydrophobicContact CD1-CG 4.43Å; Y515-Y518 WeakPolarHBondContact O-CB 3.16Å; Y515-Y518 PolarHBondContact O-N 3.13Å; L516-Y518 VanDerWaalsContact C-N 3.33Å; L516-Y518 PolarHBondContact O-N 2.98Å; Y518-T522 PolarHBondContact O-N 3.04Å; Y518-T522 PolarHBondContact O-OG1 2.9Å |
| 519 | I | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.6 | -52.8 | 174 | -63 | 169 | 0 | 0 | 0 | 109.3 | M479 L483 F501 L512 Y515 L516 D521 T522 L523 L545 | M479-I519 HydrophobicContact SD-CD1 4.12Å; M479-I519 HydrophobicContact SD-CG1 4.32Å; L483-I519 HydrophobicContact CD1-CG1 4.1Å; L483-I519 HydrophobicContact CD2-CG2 4.43Å; F501-I519 HydrophobicContact CE1-CG2 3.65Å; F501-I519 HydrophobicContact CZ-CD1 4.15Å; F501-I519 HydrophobicContact CZ-CG1 4.02Å; F501-I519 HydrophobicContact CZ-CG2 3.79Å; L512-I519 HydrophobicContact CB-CD1 4.04Å; L512-I519 HydrophobicContact CD1-CD1 4.41Å; L512-I519 HydrophobicContact CD2-CD1 4.29Å; L512-I519 HydrophobicContact CG-CD1 4.49Å; Y515-I519 PolarHBondContact O-N 3.14Å; Y515-I519 VanDerWaalsContact O-N 3.11Å; L516-I519 PolarHBondContact O-N 3.38Å; I519-D521 PolarHBondContact O-N 3.33Å; I519-T522 WeakPolarHBondContact O-CB 3.38Å; I519-T522 PolarHBondContact O-N 3.07Å; I519-L523 HydrophobicContact CG2-CD1 3.95Å; I519-L523 HydrophobicContact CG2-CG 4.31Å; I519-L523 PolarHBondContact O-N 2.94Å; I519-L545 HydrophobicContact CG2-CD1 4.29Å; I519-L545 HydrophobicContact CG2-CD2 3.75Å |
| 520 | L | 98 | Very high | 96.5 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61 | -40.3 | -179.7 | -72 | 171.6 | 0 | 0 | 0 | 112.8 | L516 T522 L523 V524 L545 L553 Y558 L562 | L516-L520 HydrophobicContact CD1-CD1 4.1Å; L516-L520 HydrophobicContact CD1-CG 4.07Å; L516-L520 HydrophobicContact CG-CD1 3.95Å; L516-L520 HydrophobicContact CG-CG 4.39Å; L516-L520 WeakPolarHBondContact O-CB 3.48Å; L516-L520 VanDerWaalsContact O-CG 3.29Å; L516-L520 WeakPolarHBondContact O-CG 3.39Å; L516-L520 PolarHBondContact O-N 2.95Å; L520-T522 PolarHBondContact O-N 3.19Å; L520-L523 PolarHBondContact O-N 3.44Å; L520-V524 WeakPolarHBondContact O-CB 3.13Å; L520-V524 WeakPolarHBondContact O-CG2 3.47Å; L520-V524 PolarHBondContact O-N 3.4Å; L520-L545 HydrophobicContact CD2-CD2 3.96Å; L520-L553 HydrophobicContact CD1-CD1 3.93Å; L520-L553 HydrophobicContact CD2-CD1 4.19Å; L520-Y558 HydrophobicContact CD1-CD1 3.61Å; L520-Y558 HydrophobicContact CD1-CD2 4.24Å; L520-Y558 HydrophobicContact CD1-CE1 4.38Å; L520-Y558 HydrophobicContact CD1-CG 3.53Å; L520-L562 HydrophobicContact CD2-CD2 4.42Å |
| 521 | D | 98.1 | Very high | 96.7 | Very high | 80 Ų | 80 | 41.8 Ų | 41.8 | 43% | 0.428 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59 | -36.2 | 176.2 | -76.5 | -17.7 | 0 | 0 | 0 | 111.7 | S517 I519 F525 K561 | S517-D521 WeakPolarHBondContact O-CB 3.32Å; S517-D521 VanDerWaalsContact O-CG 3.23Å; S517-D521 PolarHBondContact O-N 3.16Å; I519-D521 PolarHBondContact O-N 3.33Å; D521-F525 WeakPolarHBondContact O-CB 3.25Å; D521-F525 PolarHBondContact O-N 2.85Å; D521-K561 WeakPolarHBondContact OD1-CD 3.31Å; D521-K561 VanDerWaalsContact OD1-CE 3.31Å; D521-K561 WeakPolarHBondContact OD1-CE 3.32Å; D521-K561 IonicContact OD1-NZ 3.35Å; D521-K561 PolarHBondContact OD1-NZ 2.7Å; D521-K561 IonicContact OD2-NZ 3.33Å; D521-K561 PolarHBondContact OD2-NZ 3.04Å |
| 522 | T | 98.6 | Very high | 96.6 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 7% | 0.067 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -72.8 | -50.3 | 178.4 | -53.6 | 0 | 0 | 0 | 0 | 111.5 | L483 I486 L487 Y518 I519 L520 V524 F525 A526 | L483-T522 HydrophobicContact CB-CG2 4Å; L483-T522 HydrophobicContact CD2-CG2 3.98Å; L483-T522 VanDerWaalsContact O-CG2 3.29Å; L483-T522 WeakPolarHBondContact O-CG2 3.41Å; I486-T522 HydrophobicContact CB-CG2 4.38Å; I486-T522 HydrophobicContact CG2-CG2 4.23Å; L487-T522 HydrophobicContact CD1-CG2 3.91Å; L487-T522 HydrophobicContact CD2-CG2 4.32Å; L487-T522 HydrophobicContact CG-CG2 3.85Å; Y518-T522 PolarHBondContact O-N 3.04Å; Y518-T522 PolarHBondContact O-OG1 2.9Å; I519-T522 WeakPolarHBondContact O-CB 3.38Å; I519-T522 PolarHBondContact O-N 3.07Å; L520-T522 PolarHBondContact O-N 3.19Å; T522-V524 PolarHBondContact O-N 3.38Å; T522-F525 WeakPolarHBondContact O-CB 3.31Å; T522-F525 PolarHBondContact O-N 3.19Å; T522-A526 PolarHBondContact O-N 3.29Å |
| 523 | L | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.1 | -40.1 | -179.8 | -61.5 | -179.2 | 0 | 0 | 0 | 111.6 | I486 I519 L520 F525 A526 F527 L538 I542 L545 | I486-L523 HydrophobicContact CD1-CD2 3.91Å; I486-L523 HydrophobicContact CG2-CD2 4.44Å; I519-L523 HydrophobicContact CG2-CD1 3.95Å; I519-L523 HydrophobicContact CG2-CG 4.31Å; I519-L523 PolarHBondContact O-N 2.94Å; L520-L523 PolarHBondContact O-N 3.44Å; L523-F525 VanDerWaalsContact C-N 3.31Å; L523-F525 PolarHBondContact O-N 2.88Å; L523-A526 WeakPolarHBondContact O-CB 3.38Å; L523-A526 PolarHBondContact O-N 2.96Å; L523-A526 VanDerWaalsContact O-N 3.16Å; L523-F527 WeakPolarHBondContact O-CD2 3.38Å; L523-L538 HydrophobicContact CB-CD1 4.2Å; L523-L538 HydrophobicContact CD2-CD1 3.82Å; L523-I542 HydrophobicContact CB-CG1 4.36Å; L523-I542 HydrophobicContact CD1-CG1 4.03Å; L523-L545 HydrophobicContact CD1-CD2 3.77Å |
| 524 | V | 97.8 | Very high | 96 | Very high | 40 Ų | 40 | 40.5 Ų | 40.5 | 24% | 0.242 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.2 | -37.8 | 175.8 | 171 | 0 | 0 | 0 | 0 | 111.3 | L520 T522 A526 F527 K561 L562 P565 | L520-V524 WeakPolarHBondContact O-CB 3.13Å; L520-V524 WeakPolarHBondContact O-CG2 3.47Å; L520-V524 PolarHBondContact O-N 3.4Å; T522-V524 PolarHBondContact O-N 3.38Å; V524-A526 VanDerWaalsContact C-N 3.32Å; V524-F527 PolarHBondContact O-N 3.47Å; V524-K561 HydrophobicContact CG2-CB 4.36Å; V524-L562 HydrophobicContact CG2-CD1 4.39Å; V524-P565 HydrophobicContact CG1-CG 4.41Å |
| 525 | F | 98.1 | Very high | 95.9 | Very high | 128 Ų | 128 | 36.4 Ų | 36.4 | 56% | 0.561 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -66.1 | -35.4 | 174.6 | -171.6 | -84.9 | 0 | 0 | 0 | 112.1 | L487 D521 T522 L523 F527 G528 K529 | L487-F525 HydrophobicContact CD1-CD1 3.75Å; L487-F525 HydrophobicContact CD1-CE1 4.34Å; L487-F525 HydrophobicContact CD1-CG 4.35Å; L487-F525 HydrophobicContact CD2-CD1 3.76Å; L487-F525 HydrophobicContact CG-CD1 4.37Å; D521-F525 WeakPolarHBondContact O-CB 3.25Å; D521-F525 PolarHBondContact O-N 2.85Å; T522-F525 WeakPolarHBondContact O-CB 3.31Å; T522-F525 PolarHBondContact O-N 3.19Å; L523-F525 VanDerWaalsContact C-N 3.31Å; L523-F525 PolarHBondContact O-N 2.88Å; F525-F527 VanDerWaalsContact C-N 3.26Å; F525-F527 PolarHBondContact O-N 3.48Å; F525-G528 PolarHBondContact O-N 3.19Å; F525-K529 HydrophobicContact CE1-CD 4.34Å |
| 526 | A | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.6 | -32.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I486 L487 T522 L523 V524 G528 K529 Y530 L538 | I486-A526 HydrophobicContact CG2-CB 4.24Å; L487-A526 HydrophobicContact CD2-CB 3.95Å; T522-A526 PolarHBondContact O-N 3.29Å; L523-A526 WeakPolarHBondContact O-CB 3.38Å; L523-A526 PolarHBondContact O-N 2.96Å; L523-A526 VanDerWaalsContact O-N 3.16Å; V524-A526 VanDerWaalsContact C-N 3.32Å; A526-G528 PolarHBondContact O-N 3.12Å; A526-G528 VanDerWaalsContact O-N 3.13Å; A526-K529 PolarHBondContact O-N 2.94Å; A526-Y530 HydrophobicContact CB-CD1 4.09Å; A526-Y530 HydrophobicContact CB-CD2 4.33Å; A526-Y530 HydrophobicContact CB-CE1 3.93Å; A526-Y530 HydrophobicContact CB-CE2 4.2Å; A526-Y530 HydrophobicContact CB-CG 4.31Å; A526-Y530 WeakPolarHBondContact O-CB 3.38Å; A526-Y530 PolarHBondContact O-N 3.27Å; A526-L538 HydrophobicContact CB-CD1 3.96Å; A526-L538 HydrophobicContact CB-CD2 3.73Å |
| 527 | F | 96.1 | Very high | 95.3 | Very high | 24 Ų | 24 | 35.1 Ų | 35.1 | 11% | 0.105 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -33 | 173.3 | -80.4 | -80.5 | 0 | 0 | 0 | 114.3 | L523 V524 F525 L535 L538 Y539 I542 P565 L566 | L523-F527 WeakPolarHBondContact O-CD2 3.38Å; V524-F527 PolarHBondContact O-N 3.47Å; F525-F527 VanDerWaalsContact C-N 3.26Å; F525-F527 PolarHBondContact O-N 3.48Å; F527-L535 HydrophobicContact CD1-CD1 3.64Å; F527-L535 HydrophobicContact CE1-CD1 3.91Å; F527-L538 HydrophobicContact CD1-CD2 4.16Å; F527-L538 HydrophobicContact CD2-CD2 3.9Å; F527-L538 HydrophobicContact CE1-CD2 4.29Å; F527-L538 HydrophobicContact CE2-CD2 4.09Å; F527-L538 HydrophobicContact CG-CD2 3.96Å; F527-L538 HydrophobicContact CZ-CD2 4.26Å; F527-Y539 HydrophobicContact CE1-CD1 4.24Å; F527-Y539 AromaticContact CE1-CE1 3.66Å; F527-Y539 HydrophobicContact CE1-CE1 3.66Å; F527-Y539 HydrophobicContact CZ-CD1 4.42Å; F527-Y539 HydrophobicContact CZ-CE1 4.24Å; F527-I542 HydrophobicContact CE2-CD1 3.37Å; F527-I542 HydrophobicContact CZ-CD1 3.44Å; F527-I542 VanDerWaalsContact CZ-CD1 3.44Å; F527-P565 HydrophobicContact CB-CB 4.12Å; F527-P565 HydrophobicContact CD1-CB 4Å; F527-P565 HydrophobicContact CD2-CB 3.75Å; F527-P565 HydrophobicContact CD2-CG 3.94Å; F527-P565 HydrophobicContact CE1-CB 4.34Å; F527-P565 HydrophobicContact CE2-CB 4.08Å; F527-P565 HydrophobicContact CE2-CG 4.02Å; F527-P565 HydrophobicContact CG-CB 3.69Å; F527-P565 HydrophobicContact CG-CG 4.4Å; F527-P565 HydrophobicContact CZ-CB 4.38Å; F527-L566 HydrophobicContact CE1-CD2 4.3Å; F527-L566 HydrophobicContact CZ-CD2 3.76Å; F527-L566 HydrophobicContact CZ-CG 4.26Å |
| 528 | G | 94.3 | Very high | 95.2 | Very high | 77 Ų | 77 | 33.5 Ų | 33.5 | 79% | 0.794 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -7.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | F525 A526 | F525-G528 PolarHBondContact O-N 3.19Å; A526-G528 PolarHBondContact O-N 3.12Å; A526-G528 VanDerWaalsContact O-N 3.13Å |
| 529 | K | 95.6 | Very high | 95.1 | Very high | 40 Ų | 40 | 29.1 Ų | 29.1 | 17% | 0.174 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | -36.6 | -173.7 | -173.2 | -177.8 | 173.4 | 115.2 | 0 | 112.4 | E324 L487 D488 F525 A526 | E324-K529 IonicContact OE1-NZ 2.83Å; E324-K529 WeakPolarHBondContact OE2-CE 3.08Å; E324-K529 IonicContact OE2-NZ 2.84Å; E324-K529 PolarHBondContact OE2-NZ 3.28Å; L487-K529 HydrophobicContact CB-CD 4.33Å; L487-K529 HydrophobicContact CD2-CD 4.16Å; L487-K529 WeakPolarHBondContact O-CE 3.4Å; L487-K529 PolarHBondContact O-NZ 2.96Å; D488-K529 WeakPolarHBondContact O-CE 3.45Å; F525-K529 HydrophobicContact CE1-CD 4.34Å; A526-K529 PolarHBondContact O-N 2.94Å |
| 530 | Y | 96.2 | Very high | 94.6 | Very high | 15 Ų | 15 | 31.6 Ų | 31.6 | 6% | 0.059 | 17% | 0.173 | C | C | . | . | trans | -72 | 140.1 | -173.5 | -78.2 | 12.3 | 0 | 0 | 0 | 111.8 | I486 Q494 A526 N534 L538 | I486-Y530 VanDerWaalsContact CG2-OH 3.23Å; I486-Y530 WeakPolarHBondContact CG2-OH 3.29Å; I486-Y530 WeakPolarHBondContact O-CE1 3.28Å; I486-Y530 VanDerWaalsContact O-CZ 3.32Å; I486-Y530 PolarHBondContact O-OH 3.06Å; Q494-Y530 HydrophobicContact CB-CE1 3.82Å; Q494-Y530 HydrophobicContact CG-CE1 3.77Å; A526-Y530 HydrophobicContact CB-CD1 4.09Å; A526-Y530 HydrophobicContact CB-CD2 4.33Å; A526-Y530 HydrophobicContact CB-CE1 3.93Å; A526-Y530 HydrophobicContact CB-CE2 4.2Å; A526-Y530 HydrophobicContact CB-CG 4.31Å; A526-Y530 WeakPolarHBondContact O-CB 3.38Å; A526-Y530 PolarHBondContact O-N 3.27Å; Y530-N534 VanDerWaalsContact CD2-C 3.46Å; Y530-N534 HydrophobicContact CD2-CB 3.6Å; Y530-N534 WeakPolarHBondContact CD2-O 3.22Å; Y530-N534 HydrophobicContact CE2-CB 3.95Å; Y530-N534 HydrophobicContact CG-CB 3.89Å; Y530-L538 HydrophobicContact CD2-CB 3.84Å; Y530-L538 HydrophobicContact CD2-CD2 4.06Å; Y530-L538 HydrophobicContact CD2-CG 4.44Å; Y530-L538 HydrophobicContact CE2-CB 3.95Å; Y530-L538 HydrophobicContact CE2-CD1 4.41Å; Y530-L538 HydrophobicContact CE2-CD2 4.48Å | ||
| 531 | Q | 94 | Very high | 94.3 | Very high | 50 Ų | 50 | 31.6 Ų | 31.6 | 23% | 0.234 | 17% | 0.173 | C | C | . | . | trans | -81.1 | 177.7 | 164.1 | -57.9 | -58.2 | -37.2 | 0 | 0 | 109.6 | E324 D328 K491 K533 N534 L535 | E324-Q531 WeakPolarHBondContact O-CG 3.29Å; E324-Q531 PolarHBondContact O-NE2 3.01Å; D328-Q531 WeakPolarHBondContact OD2-CB 3.46Å; K491-Q531 HydrophobicContact CD-CB 4.28Å; K491-Q531 HydrophobicContact CD-CG 4.02Å; Q531-K533 PolarHBondContact O-N 3.49Å; Q531-N534 PolarHBondContact O-N 2.94Å; Q531-L535 WeakPolarHBondContact O-CB 3.47Å; Q531-L535 PolarHBondContact O-N 3.1Å | ||
| 532 | H | 89.8 | Confident | 94.3 | Very high | 62 Ų | 62 | 27.9 Ų | 27.9 | 29% | 0.287 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -56.1 | -48.3 | -170 | 177.5 | 105.3 | 0 | 0 | 0 | 113.3 | D328 I333 N534 L535 L536 D579 | D328-H532 PolarHBondContact OD2-N 3.19Å; I333-H532 HydrophobicContact CD1-CB 4.48Å; I333-H532 WeakPolarHBondContact CD1-CD2 3.3Å; I333-H532 WeakPolarHBondContact CD1-NE2 3.44Å; H532-N534 PolarHBondContact O-N 3.3Å; H532-L535 WeakPolarHBondContact O-CB 3.49Å; H532-L535 PolarHBondContact O-N 3.03Å; H532-L536 PolarHBondContact O-N 2.98Å; H532-D579 IonicContact CE1-OD1 2.65Å; H532-D579 PolarHBondContact CE1-OD1 3.48Å; H532-D579 IonicContact CE1-OD2 2.93Å; H532-D579 PolarHBondContact CE1-OD2 3.4Å; H532-D579 IonicContact ND1-OD2 2.73Å; H532-D579 PolarHBondContact ND1-OD2 2.95Å; H532-D579 IonicContact NE2-OD1 3.98Å; H532-D579 PolarHBondContact NE2-OD1 3.21Å; H532-D579 IonicContact NE2-OD2 3.71Å |
| 533 | K | 88.2 | Confident | 94 | Very high | 44 Ų | 44 | 27.5 Ų | 27.5 | 19% | 0.191 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.9 | -52.8 | -177.9 | -173.2 | -169.8 | 178.4 | -157.2 | 0 | 111.3 | D328 D364 E495 Q531 L535 L536 | D328-K533 PolarHBondContact OD2-N 3.49Å; D364-K533 PolarHBondContact O-NZ 3.41Å; E495-K533 VanDerWaalsContact OE1-CE 3.27Å; E495-K533 WeakPolarHBondContact OE1-CE 3.4Å; E495-K533 IonicContact OE1-NZ 2.81Å; E495-K533 PolarHBondContact OE1-NZ 3.06Å; E495-K533 IonicContact OE2-NZ 3.97Å; E495-K533 PolarHBondContact OE2-NZ 3.33Å; Q531-K533 PolarHBondContact O-N 3.49Å; K533-L535 VanDerWaalsContact C-N 3.29Å; K533-L535 PolarHBondContact O-N 3.45Å; K533-L536 WeakPolarHBondContact O-CB 3.22Å; K533-L536 PolarHBondContact O-N 3.04Å |
| 534 | N | 92 | Very high | 93.7 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.011 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -72 | -25.2 | -176.5 | -66.9 | -1.7 | 0 | 0 | 0 | 112.6 | K491 Q494 Y530 Q531 H532 L536 I537 L538 | K491-N534 PolarHBondContact O-ND2 3.13Å; Q494-N534 WeakPolarHBondContact CB-ND2 3.42Å; Q494-N534 PolarHBondContact OE1-ND2 3.27Å; Y530-N534 VanDerWaalsContact CD2-C 3.46Å; Y530-N534 HydrophobicContact CD2-CB 3.6Å; Y530-N534 WeakPolarHBondContact CD2-O 3.22Å; Y530-N534 HydrophobicContact CE2-CB 3.95Å; Y530-N534 HydrophobicContact CG-CB 3.89Å; Q531-N534 PolarHBondContact O-N 2.94Å; H532-N534 PolarHBondContact O-N 3.3Å; N534-L536 PolarHBondContact O-N 3.01Å; N534-I537 PolarHBondContact O-N 3.49Å; N534-L538 PolarHBondContact O-N 3.47Å |
| 535 | L | 94.2 | Very high | 93.5 | Very high | 13 Ų | 13 | 26.9 Ų | 26.9 | 7% | 0.068 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.3 | -33 | 174.5 | -177.2 | 64 | 0 | 0 | 0 | 111.7 | F527 Q531 H532 K533 L538 Y539 K569 | F527-L535 HydrophobicContact CD1-CD1 3.64Å; F527-L535 HydrophobicContact CE1-CD1 3.91Å; Q531-L535 WeakPolarHBondContact O-CB 3.47Å; Q531-L535 PolarHBondContact O-N 3.1Å; H532-L535 WeakPolarHBondContact O-CB 3.49Å; H532-L535 PolarHBondContact O-N 3.03Å; K533-L535 VanDerWaalsContact C-N 3.29Å; K533-L535 PolarHBondContact O-N 3.45Å; L535-L538 HydrophobicContact CD1-CD2 4.1Å; L535-L538 WeakPolarHBondContact O-CB 3.42Å; L535-L538 PolarHBondContact O-N 2.84Å; L535-Y539 HydrophobicContact CD1-CE1 4.38Å; L535-Y539 HydrophobicContact CD2-CE2 4.42Å; L535-Y539 HydrophobicContact CG-CE2 3.9Å; L535-Y539 WeakPolarHBondContact O-CD2 3.24Å; L535-Y539 PolarHBondContact O-N 2.74Å; L535-K569 HydrophobicContact CD2-CD 3.87Å |
| 536 | L | 90.8 | Very high | 93.4 | Very high | 10 Ų | 10 | 20.8 Ų | 20.8 | 5% | 0.052 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.1 | -46.5 | 175.3 | -55 | -179.8 | 0 | 0 | 0 | 111 | H532 K533 N534 L538 Y539 D540 D579 P582 | H532-L536 PolarHBondContact O-N 2.98Å; K533-L536 WeakPolarHBondContact O-CB 3.22Å; K533-L536 PolarHBondContact O-N 3.04Å; N534-L536 PolarHBondContact O-N 3.01Å; L536-L538 VanDerWaalsContact C-N 3.27Å; L536-L538 PolarHBondContact O-N 2.66Å; L536-Y539 HydrophobicContact CD2-CD2 4.44Å; L536-Y539 HydrophobicContact CD2-CE2 4.33Å; L536-Y539 WeakPolarHBondContact O-CB 3.35Å; L536-Y539 PolarHBondContact O-N 3.25Å; L536-Y539 VanDerWaalsContact O-N 3.15Å; L536-D540 PolarHBondContact O-N 3.17Å; L536-D579 HydrophobicContact CD2-CB 4.37Å; L536-P582 HydrophobicContact CB-CG 4.42Å; L536-P582 HydrophobicContact CD2-CG 4.22Å |
| 537 | I | 89.9 | Confident | 92.9 | Very high | 10 Ų | 10 | 24.1 Ų | 24.1 | 5% | 0.051 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.7 | -33.2 | 177.2 | -51.6 | 177.7 | 0 | 0 | 0 | 111.5 | E495 C498 N534 Y539 D540 A541 | E495-I537 HydrophobicContact CB-CD1 3.86Å; E495-I537 HydrophobicContact CG-CD1 3.52Å; C498-I537 HydrophobicContact CB-CG2 3.87Å; N534-I537 PolarHBondContact O-N 3.49Å; I537-Y539 VanDerWaalsContact C-N 3.32Å; I537-Y539 PolarHBondContact O-N 3.26Å; I537-D540 PolarHBondContact O-N 2.99Å; I537-A541 PolarHBondContact O-N 3.28Å |
| 538 | L | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.6 | -36.1 | 175.7 | -177.8 | 63 | 0 | 0 | 0 | 112.2 | L523 A526 F527 Y530 N534 L535 L536 D540 I542 | L523-L538 HydrophobicContact CB-CD1 4.2Å; L523-L538 HydrophobicContact CD2-CD1 3.82Å; A526-L538 HydrophobicContact CB-CD1 3.96Å; A526-L538 HydrophobicContact CB-CD2 3.73Å; F527-L538 HydrophobicContact CD1-CD2 4.16Å; F527-L538 HydrophobicContact CD2-CD2 3.9Å; F527-L538 HydrophobicContact CE1-CD2 4.29Å; F527-L538 HydrophobicContact CE2-CD2 4.09Å; F527-L538 HydrophobicContact CG-CD2 3.96Å; F527-L538 HydrophobicContact CZ-CD2 4.26Å; Y530-L538 HydrophobicContact CD2-CB 3.84Å; Y530-L538 HydrophobicContact CD2-CD2 4.06Å; Y530-L538 HydrophobicContact CD2-CG 4.44Å; Y530-L538 HydrophobicContact CE2-CB 3.95Å; Y530-L538 HydrophobicContact CE2-CD1 4.41Å; Y530-L538 HydrophobicContact CE2-CD2 4.48Å; N534-L538 PolarHBondContact O-N 3.47Å; L535-L538 HydrophobicContact CD1-CD2 4.1Å; L535-L538 WeakPolarHBondContact O-CB 3.42Å; L535-L538 PolarHBondContact O-N 2.84Å; L536-L538 VanDerWaalsContact C-N 3.27Å; L536-L538 PolarHBondContact O-N 2.66Å; L538-D540 VanDerWaalsContact C-N 3.34Å; L538-I542 HydrophobicContact CD1-CD1 4.26Å; L538-I542 HydrophobicContact CD1-CG1 4.49Å; L538-I542 HydrophobicContact CG-CD1 4.01Å; L538-I542 WeakPolarHBondContact O-CD1 3.46Å; L538-I542 VanDerWaalsContact O-CG1 3.26Å; L538-I542 WeakPolarHBondContact O-CG1 3.32Å; L538-I542 PolarHBondContact O-N 3.47Å |
| 539 | Y | 94.5 | Very high | 92.4 | Very high | 4 Ų | 4 | 20.1 Ų | 20.1 | 2% | 0.016 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.1 | -44.7 | 173.9 | -61.8 | -51.5 | 0 | 0 | 0 | 110.9 | F527 L535 L536 I537 A541 I542 G543 L566 K569 P582 L583 C586 | F527-Y539 HydrophobicContact CE1-CD1 4.24Å; F527-Y539 AromaticContact CE1-CE1 3.66Å; F527-Y539 HydrophobicContact CE1-CE1 3.66Å; F527-Y539 HydrophobicContact CZ-CD1 4.42Å; F527-Y539 HydrophobicContact CZ-CE1 4.24Å; L535-Y539 HydrophobicContact CD1-CE1 4.38Å; L535-Y539 HydrophobicContact CD2-CE2 4.42Å; L535-Y539 HydrophobicContact CG-CE2 3.9Å; L535-Y539 WeakPolarHBondContact O-CD2 3.24Å; L535-Y539 PolarHBondContact O-N 2.74Å; L536-Y539 HydrophobicContact CD2-CD2 4.44Å; L536-Y539 HydrophobicContact CD2-CE2 4.33Å; L536-Y539 WeakPolarHBondContact O-CB 3.35Å; L536-Y539 PolarHBondContact O-N 3.25Å; L536-Y539 VanDerWaalsContact O-N 3.15Å; I537-Y539 VanDerWaalsContact C-N 3.32Å; I537-Y539 PolarHBondContact O-N 3.26Å; Y539-A541 PolarHBondContact O-N 3.37Å; Y539-I542 PolarHBondContact O-N 2.95Å; Y539-G543 PolarHBondContact O-N 3.47Å; Y539-L566 HydrophobicContact CD1-CD2 4.07Å; Y539-L566 HydrophobicContact CE1-CD2 4.13Å; Y539-K569 VanDerWaalsContact OH-CB 3.3Å; Y539-K569 WeakPolarHBondContact OH-CB 3.44Å; Y539-K569 WeakPolarHBondContact OH-CD 3.48Å; Y539-K569 VanDerWaalsContact OH-CG 3.22Å; Y539-K569 WeakPolarHBondContact OH-CG 3.33Å; Y539-P582 HydrophobicContact CD2-CB 4.03Å; Y539-L583 HydrophobicContact CD1-CD1 3.95Å; Y539-L583 HydrophobicContact CD2-CB 4.37Å; Y539-L583 HydrophobicContact CE1-CB 4.48Å; Y539-L583 HydrophobicContact CE1-CD1 3.57Å; Y539-L583 HydrophobicContact CE2-CB 4.23Å; Y539-C586 WeakPolarHBondContact O-CB 3.2Å |
| 540 | D | 87.9 | Confident | 92.3 | Very high | 52 Ų | 52 | 19.2 Ų | 19.2 | 28% | 0.278 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -59 | -50 | 178.9 | -57.2 | -25.4 | 0 | 0 | 0 | 110.2 | R336 L536 I537 L538 I542 G543 T544 | R336-D540 IonicContact CZ-OD2 2.97Å; R336-D540 IonicContact NH1-OD2 2.75Å; R336-D540 PolarHBondContact NH1-OD2 3.18Å; R336-D540 IonicContact NH2-OD2 3.32Å; L536-D540 PolarHBondContact O-N 3.17Å; I537-D540 PolarHBondContact O-N 2.99Å; L538-D540 VanDerWaalsContact C-N 3.34Å; D540-I542 VanDerWaalsContact C-N 3.34Å; D540-I542 PolarHBondContact O-N 3.08Å; D540-G543 WeakPolarHBondContact O-CA 3.44Å; D540-G543 PolarHBondContact O-N 3.37Å; D540-G543 VanDerWaalsContact O-N 3.09Å; D540-T544 PolarHBondContact O-N 2.81Å; D540-T544 PolarHBondContact O-OG1 3.03Å; D540-T544 VanDerWaalsContact O-OG1 3.13Å |
| 541 | A | 92.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.008 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.2 | -39.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | C498 A502 I537 Y539 T544 L545 | C498-A541 VanDerWaalsContact SG-CB 3.6Å; A502-A541 HydrophobicContact CB-CB 4.36Å; I537-A541 PolarHBondContact O-N 3.28Å; Y539-A541 PolarHBondContact O-N 3.37Å; A541-T544 PolarHBondContact O-N 3.19Å; A541-L545 WeakPolarHBondContact O-CB 3.29Å; A541-L545 PolarHBondContact O-N 3.22Å |
| 542 | I | 97.3 | Very high | 92.3 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.9 | -38.8 | 176.2 | -69.3 | 165.5 | 0 | 0 | 0 | 111.3 | L523 F527 L538 Y539 D540 A546 L562 C586 V590 | L523-I542 HydrophobicContact CB-CG1 4.36Å; L523-I542 HydrophobicContact CD1-CG1 4.03Å; F527-I542 HydrophobicContact CE2-CD1 3.37Å; F527-I542 HydrophobicContact CZ-CD1 3.44Å; F527-I542 VanDerWaalsContact CZ-CD1 3.44Å; L538-I542 HydrophobicContact CD1-CD1 4.26Å; L538-I542 HydrophobicContact CD1-CG1 4.49Å; L538-I542 HydrophobicContact CG-CD1 4.01Å; L538-I542 WeakPolarHBondContact O-CD1 3.46Å; L538-I542 VanDerWaalsContact O-CG1 3.26Å; L538-I542 WeakPolarHBondContact O-CG1 3.32Å; L538-I542 PolarHBondContact O-N 3.47Å; Y539-I542 PolarHBondContact O-N 2.95Å; D540-I542 VanDerWaalsContact C-N 3.34Å; D540-I542 PolarHBondContact O-N 3.08Å; I542-A546 WeakPolarHBondContact O-CB 3.5Å; I542-A546 PolarHBondContact O-N 3.12Å; I542-L562 HydrophobicContact CD1-CD1 4.16Å; I542-L562 HydrophobicContact CG2-CD1 3.91Å; I542-L562 HydrophobicContact CG2-CD2 4.12Å; I542-C586 VanDerWaalsContact CG2-SG 3.59Å; I542-V590 HydrophobicContact CG2-CG2 4.01Å |
| 543 | G | 93.6 | Very high | 92.6 | Very high | 4 Ų | 4 | 21.9 Ų | 21.9 | 4% | 0.041 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60 | -51.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y539 D540 L545 A546 D547 S589 | Y539-G543 PolarHBondContact O-N 3.47Å; D540-G543 WeakPolarHBondContact O-CA 3.44Å; D540-G543 PolarHBondContact O-N 3.37Å; D540-G543 VanDerWaalsContact O-N 3.09Å; G543-L545 PolarHBondContact O-N 2.91Å; G543-A546 WeakPolarHBondContact O-CB 3.41Å; G543-A546 PolarHBondContact O-N 3.16Å; G543-A546 VanDerWaalsContact O-N 3.07Å; G543-D547 PolarHBondContact O-N 3.49Å; G543-S589 WeakPolarHBondContact O-CB 3.26Å |
| 544 | T | 90.1 | Very high | 93.1 | Very high | 25 Ų | 25 | 21.8 Ų | 21.8 | 15% | 0.153 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.7 | -43 | 177.5 | -59.3 | 0 | 0 | 0 | 0 | 112.2 | A502 E505 E506 D540 A541 A546 D547 S548 | A502-T544 HydrophobicContact CB-CG2 4.47Å; E505-T544 HydrophobicContact CB-CG2 3.94Å; E506-T544 HydrophobicContact CG-CG2 3.4Å; E506-T544 VanDerWaalsContact CG-CG2 3.4Å; D540-T544 PolarHBondContact O-N 2.81Å; D540-T544 PolarHBondContact O-OG1 3.03Å; D540-T544 VanDerWaalsContact O-OG1 3.13Å; A541-T544 PolarHBondContact O-N 3.19Å; T544-A546 VanDerWaalsContact C-N 3.33Å; T544-A546 PolarHBondContact O-N 3.19Å; T544-D547 PolarHBondContact O-N 3.32Å; T544-S548 WeakPolarHBondContact O-CB 3.28Å; T544-S548 PolarHBondContact O-N 2.85Å; T544-S548 PolarHBondContact O-OG 3.27Å |
| 545 | L | 95 | Very high | 93.3 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.1 | -46.8 | 172.8 | -176.2 | 59.4 | 0 | 0 | 0 | 111.7 | E505 L512 L516 I519 L520 L523 A541 G543 D547 S548 V549 | E505-L545 HydrophobicContact CG-CD1 4.28Å; E505-L545 WeakPolarHBondContact OE1-CB 3.4Å; E505-L545 WeakPolarHBondContact OE1-CD1 3.36Å; E505-L545 PolarHBondContact OE2-N 3.19Å; L512-L545 HydrophobicContact CD1-CD1 4.35Å; L516-L545 HydrophobicContact CD1-CD1 4.09Å; L516-L545 HydrophobicContact CD1-CD2 4.04Å; L516-L545 HydrophobicContact CD1-CG 4.27Å; I519-L545 HydrophobicContact CG2-CD1 4.29Å; I519-L545 HydrophobicContact CG2-CD2 3.75Å; L520-L545 HydrophobicContact CD2-CD2 3.96Å; L523-L545 HydrophobicContact CD1-CD2 3.77Å; A541-L545 WeakPolarHBondContact O-CB 3.29Å; A541-L545 PolarHBondContact O-N 3.22Å; G543-L545 PolarHBondContact O-N 2.91Å; L545-D547 VanDerWaalsContact C-N 3.35Å; L545-D547 PolarHBondContact O-N 3.02Å; L545-S548 PolarHBondContact O-N 3.05Å; L545-V549 HydrophobicContact CD1-CG1 3.9Å; L545-V549 WeakPolarHBondContact O-CG2 3.45Å; L545-V549 PolarHBondContact O-N 3.41Å |
| 546 | A | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.2 | -41.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I542 G543 T544 S548 G550 L553 V590 A593 | I542-A546 WeakPolarHBondContact O-CB 3.5Å; I542-A546 PolarHBondContact O-N 3.12Å; G543-A546 WeakPolarHBondContact O-CB 3.41Å; G543-A546 PolarHBondContact O-N 3.16Å; G543-A546 VanDerWaalsContact O-N 3.07Å; T544-A546 VanDerWaalsContact C-N 3.33Å; T544-A546 PolarHBondContact O-N 3.19Å; A546-S548 VanDerWaalsContact C-N 3.33Å; A546-S548 PolarHBondContact O-N 3.28Å; A546-G550 VanDerWaalsContact O-CA 3.27Å; A546-G550 WeakPolarHBondContact O-CA 3.27Å; A546-G550 PolarHBondContact O-N 3.3Å; A546-L553 HydrophobicContact CB-CD2 3.91Å; A546-V590 HydrophobicContact CB-CG2 4Å; A546-A593 HydrophobicContact CB-CB 3.93Å |
| 547 | D | 87.8 | Confident | 93.7 | Very high | 69 Ų | 69 | 34.1 Ų | 34.1 | 37% | 0.369 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -68.4 | -31.8 | 176.5 | -74.3 | -35.4 | 0 | 0 | 0 | 113.2 | G543 T544 L545 S589 R770 | G543-D547 PolarHBondContact O-N 3.49Å; T544-D547 PolarHBondContact O-N 3.32Å; L545-D547 VanDerWaalsContact C-N 3.35Å; L545-D547 PolarHBondContact O-N 3.02Å; D547-S589 WeakPolarHBondContact OD1-CB 3.43Å; D547-S589 PolarHBondContact OD1-OG 3.48Å; D547-S589 WeakPolarHBondContact OD2-CB 3.46Å; D547-S589 PolarHBondContact OD2-OG 3.17Å; D547-R770 PolarHBondContact O-NH2 2.96Å |
| 548 | S | 86.9 | Confident | 94.1 | Very high | 15 Ų | 15 | 35.5 Ų | 35.5 | 11% | 0.105 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -76.2 | -44.8 | -178.7 | -65.8 | 0 | 0 | 0 | 0 | 113.1 | E505 C509 T544 L545 A546 | E505-S548 PolarHBondContact O-OG 3.05Å; E505-S548 VanDerWaalsContact O-OG 3.11Å; C509-S548 CarbonylContact C-O 3.57Å; T544-S548 WeakPolarHBondContact O-CB 3.28Å; T544-S548 PolarHBondContact O-N 2.85Å; T544-S548 PolarHBondContact O-OG 3.27Å; L545-S548 PolarHBondContact O-N 3.05Å; A546-S548 VanDerWaalsContact C-N 3.33Å; A546-S548 PolarHBondContact O-N 3.28Å |
| 549 | V | 92.6 | Very high | 94.1 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -92.8 | -19.7 | -178.8 | -51.6 | 0 | 0 | 0 | 0 | 113 | L512 V513 L516 L545 H551 H552 L553 | L512-V549 HydrophobicContact CB-CG1 4.37Å; V513-V549 HydrophobicContact CG2-CB 4.18Å; V513-V549 HydrophobicContact CG2-CG1 4.3Å; L516-V549 HydrophobicContact CD1-CG1 4.35Å; L516-V549 HydrophobicContact CD1-CG2 4.36Å; L516-V549 HydrophobicContact CD2-CG2 4.18Å; L545-V549 HydrophobicContact CD1-CG1 3.9Å; L545-V549 WeakPolarHBondContact O-CG2 3.45Å; L545-V549 PolarHBondContact O-N 3.41Å; V549-H551 PolarHBondContact O-N 3.36Å; V549-H552 HydrophobicContact CB-CB 4.43Å; V549-H552 WeakPolarHBondContact O-CB 3.04Å; V549-H552 PolarHBondContact O-N 2.88Å; V549-H552 PolarHBondContact O-ND1 3.05Å; V549-L553 HydrophobicContact CG2-CB 3.92Å |
| 550 | G | 93 | Very high | 94.2 | Very high | 21 Ų | 21 | 42.9 Ų | 42.9 | 22% | 0.216 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | 53.4 | -132.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | A546 H552 L553 | A546-G550 VanDerWaalsContact O-CA 3.27Å; A546-G550 WeakPolarHBondContact O-CA 3.27Å; A546-G550 PolarHBondContact O-N 3.3Å; G550-H552 PolarHBondContact O-N 2.77Å; G550-L553 WeakPolarHBondContact O-CB 3.09Å; G550-L553 PolarHBondContact O-N 3.33Å |
| 551 | H | 94.1 | Very high | 94.6 | Very high | 115 Ų | 115 | 42.8 Ų | 42.8 | 53% | 0.532 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -59.4 | -14.4 | -176 | 71.3 | -80 | 0 | 0 | 0 | 115.3 | V549 L553 N554 A593 | V549-H551 PolarHBondContact O-N 3.36Å; H551-L553 PolarHBondContact O-N 3.14Å; H551-N554 VanDerWaalsContact O-CB 3.29Å; H551-N554 WeakPolarHBondContact O-CB 3.38Å; H551-N554 PolarHBondContact O-N 3.32Å; H551-A593 WeakPolarHBondContact CA-O 3.45Å |
| 552 | H | 96.2 | Very high | 94.8 | Very high | 65 Ų | 65 | 42.9 Ų | 42.9 | 30% | 0.301 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -64.5 | -22.7 | 173.4 | -60.4 | 96.1 | 0 | 0 | 0 | 112.6 | V513 V549 G550 N554 | V513-H552 HydrophobicContact CG1-CB 4.11Å; V513-H552 HydrophobicContact CG2-CB 3.86Å; V549-H552 HydrophobicContact CB-CB 4.43Å; V549-H552 WeakPolarHBondContact O-CB 3.04Å; V549-H552 PolarHBondContact O-N 2.88Å; V549-H552 PolarHBondContact O-ND1 3.05Å; G550-H552 PolarHBondContact O-N 2.77Å; H552-N554 PolarHBondContact O-N 3.05Å |
| 553 | L | 97.4 | Very high | 94.8 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -69.1 | -21.7 | 173.6 | -166.8 | 62.6 | 0 | 0 | 0 | 112.5 | L516 L520 A546 V549 G550 H551 Q555 L562 A593 L594 | L516-L553 HydrophobicContact CD1-CD1 4.34Å; L516-L553 HydrophobicContact CD2-CD1 4.25Å; L520-L553 HydrophobicContact CD1-CD1 3.93Å; L520-L553 HydrophobicContact CD2-CD1 4.19Å; A546-L553 HydrophobicContact CB-CD2 3.91Å; V549-L553 HydrophobicContact CG2-CB 3.92Å; G550-L553 WeakPolarHBondContact O-CB 3.09Å; G550-L553 PolarHBondContact O-N 3.33Å; H551-L553 PolarHBondContact O-N 3.14Å; L553-Q555 PolarHBondContact O-N 3.11Å; L553-L562 HydrophobicContact CD2-CD2 4.24Å; L553-A593 HydrophobicContact CB-CB 4.39Å; L553-A593 HydrophobicContact CD2-CB 4.19Å; L553-L594 HydrophobicContact CB-CD2 4.18Å; L553-L594 HydrophobicContact CD2-CD2 4.2Å; L553-L594 HydrophobicContact CG-CD2 3.85Å; L553-L594 WeakPolarHBondContact O-CD2 3.19Å |
| 554 | N | 97.4 | Very high | 95 | Very high | 41 Ų | 41 | 46.1 Ų | 46.1 | 22% | 0.219 | 24% | 0.24 | C | C | . | . | trans | -75.6 | 66.1 | -179.1 | -170.1 | 9.9 | 0 | 0 | 0 | 112.2 | H551 H552 L594 | H551-N554 VanDerWaalsContact O-CB 3.29Å; H551-N554 WeakPolarHBondContact O-CB 3.38Å; H551-N554 PolarHBondContact O-N 3.32Å; H552-N554 PolarHBondContact O-N 3.05Å; N554-L594 HydrophobicContact CB-CD2 4.41Å; N554-L594 PolarHBondContact ND2-O 3.05Å; N554-L594 PolarHBondContact OD1-O 2.97Å | ||
| 555 | Q | 97.1 | Very high | 95.3 | Very high | 99 Ų | 99 | 45.8 Ų | 45.8 | 46% | 0.463 | 24% | 0.238 | S | C | . | . | trans | -125.3 | 139.1 | 172.4 | -63 | -63.4 | -26.1 | 0 | 0 | 109.7 | L553 E557 Y558 I559 | L553-Q555 PolarHBondContact O-N 3.11Å; Q555-E557 PolarHBondContact O-N 3.15Å; Q555-E557 VanDerWaalsContact O-N 3.12Å; Q555-Y558 HydrophobicContact CB-CD2 3.63Å; Q555-Y558 HydrophobicContact CB-CE2 3.98Å; Q555-Y558 HydrophobicContact CB-CG 4.14Å; Q555-Y558 HydrophobicContact CG-CD2 3.92Å; Q555-Y558 HydrophobicContact CG-CE2 3.88Å; Q555-Y558 PolarHBondContact O-N 3.13Å; Q555-I559 WeakPolarHBondContact O-CG1 3.18Å; Q555-I559 PolarHBondContact O-N 3.45Å | ||
| 556 | P | 96.3 | Very high | 95.4 | Very high | 83 Ų | 83 | 45.7 Ų | 45.7 | 54% | 0.539 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -54.6 | -36.2 | -178.2 | -28 | 34.9 | 0 | 0 | 0 | 114.2 | Q560 | P556-Q560 WeakPolarHBondContact O-CB 3.19Å; P556-Q560 WeakPolarHBondContact O-CG 3.32Å; P556-Q560 PolarHBondContact O-N 3.28Å; P556-Q560 VanDerWaalsContact O-N 3.1Å |
| 557 | E | 96.6 | Very high | 95.4 | Very high | 102 Ų | 102 | 47.6 Ų | 47.6 | 48% | 0.477 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.8 | -47.6 | 176.8 | -177 | -174.5 | 154.2 | 0 | 0 | 111.8 | S517 Q555 Q560 K561 | S517-E557 PolarHBondContact OG-OE1 2.88Å; S517-E557 VanDerWaalsContact OG-OE1 3.08Å; Q555-E557 PolarHBondContact O-N 3.15Å; Q555-E557 VanDerWaalsContact O-N 3.12Å; E557-Q560 PolarHBondContact O-N 2.7Å; E557-K561 WeakPolarHBondContact O-CG 3.33Å; E557-K561 PolarHBondContact O-N 3.22Å; E557-K561 IonicContact OE1-NZ 3.2Å; E557-K561 PolarHBondContact OE1-NZ 2.66Å |
| 558 | Y | 97.9 | Very high | 95.8 | Very high | 40 Ų | 40 | 49.5 Ų | 49.5 | 16% | 0.157 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.9 | -42.2 | -176.2 | -57.3 | -23.8 | 0 | 0 | 0 | 111.6 | L516 L520 Q555 Q560 K561 L562 | L516-Y558 HydrophobicContact CB-CE2 4.39Å; L516-Y558 HydrophobicContact CD2-CD2 3.77Å; L516-Y558 HydrophobicContact CD2-CE2 3.54Å; L516-Y558 HydrophobicContact CG-CD2 4.24Å; L516-Y558 HydrophobicContact CG-CE2 3.97Å; L520-Y558 HydrophobicContact CD1-CD1 3.61Å; L520-Y558 HydrophobicContact CD1-CD2 4.24Å; L520-Y558 HydrophobicContact CD1-CE1 4.38Å; L520-Y558 HydrophobicContact CD1-CG 3.53Å; Q555-Y558 HydrophobicContact CB-CD2 3.63Å; Q555-Y558 HydrophobicContact CB-CE2 3.98Å; Q555-Y558 HydrophobicContact CB-CG 4.14Å; Q555-Y558 HydrophobicContact CG-CD2 3.92Å; Q555-Y558 HydrophobicContact CG-CE2 3.88Å; Q555-Y558 PolarHBondContact O-N 3.13Å; Y558-Q560 VanDerWaalsContact C-N 3.32Å; Y558-Q560 PolarHBondContact O-N 3.4Å; Y558-K561 PolarHBondContact O-N 2.94Å; Y558-K561 VanDerWaalsContact O-N 3.16Å; Y558-L562 WeakPolarHBondContact O-CB 3.24Å; Y558-L562 PolarHBondContact O-N 3.25Å |
| 559 | I | 97.4 | Very high | 96.1 | Very high | 18 Ų | 18 | 51.1 Ų | 51.1 | 9% | 0.092 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 176.2 | -62 | 170.1 | 0 | 0 | 0 | 110.7 | Q555 K561 L562 M563 L594 Y601 | Q555-I559 WeakPolarHBondContact O-CG1 3.18Å; Q555-I559 PolarHBondContact O-N 3.45Å; I559-K561 VanDerWaalsContact C-N 3.27Å; I559-K561 PolarHBondContact O-N 2.69Å; I559-L562 PolarHBondContact O-N 3.5Å; I559-M563 HydrophobicContact CG2-CG 3.78Å; I559-M563 WeakPolarHBondContact O-CB 3.28Å; I559-M563 WeakPolarHBondContact O-CG 3.32Å; I559-M563 PolarHBondContact O-N 3.18Å; I559-L594 HydrophobicContact CD1-CD2 4.01Å; I559-L594 HydrophobicContact CG1-CD1 3.96Å; I559-L594 HydrophobicContact CG1-CD2 3.57Å; I559-L594 HydrophobicContact CG1-CG 4.39Å; I559-L594 HydrophobicContact CG2-CD1 4.49Å; I559-Y601 HydrophobicContact CG2-CE2 3.93Å |
| 560 | Q | 95.8 | Very high | 96.2 | Very high | 140 Ų | 140 | 51.5 Ų | 51.5 | 65% | 0.654 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -67 | -26 | 179.2 | -74.7 | 172.9 | 23.3 | 0 | 0 | 113.3 | P556 E557 Y558 P564 | P556-Q560 WeakPolarHBondContact O-CB 3.19Å; P556-Q560 WeakPolarHBondContact O-CG 3.32Å; P556-Q560 PolarHBondContact O-N 3.28Å; P556-Q560 VanDerWaalsContact O-N 3.1Å; E557-Q560 PolarHBondContact O-N 2.7Å; Y558-Q560 VanDerWaalsContact C-N 3.32Å; Y558-Q560 PolarHBondContact O-N 3.4Å; Q560-P564 WeakPolarHBondContact O-CD 3.49Å; Q560-P564 VanDerWaalsContact O-CG 3.3Å; Q560-P564 WeakPolarHBondContact O-CG 3.47Å |
| 561 | K | 95.8 | Very high | 96.2 | Very high | 51 Ų | 51 | 56.1 Ų | 56.1 | 22% | 0.222 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -79.3 | -47.7 | 173.6 | -70 | 177.8 | -178.2 | -170.6 | 0 | 111.8 | S517 D521 V524 E557 Y558 I559 P565 | S517-K561 PolarHBondContact OG-NZ 3.08Å; D521-K561 WeakPolarHBondContact OD1-CD 3.31Å; D521-K561 VanDerWaalsContact OD1-CE 3.31Å; D521-K561 WeakPolarHBondContact OD1-CE 3.32Å; D521-K561 IonicContact OD1-NZ 3.35Å; D521-K561 PolarHBondContact OD1-NZ 2.7Å; D521-K561 IonicContact OD2-NZ 3.33Å; D521-K561 PolarHBondContact OD2-NZ 3.04Å; V524-K561 HydrophobicContact CG2-CB 4.36Å; E557-K561 WeakPolarHBondContact O-CG 3.33Å; E557-K561 PolarHBondContact O-N 3.22Å; E557-K561 IonicContact OE1-NZ 3.2Å; E557-K561 PolarHBondContact OE1-NZ 2.66Å; Y558-K561 PolarHBondContact O-N 2.94Å; Y558-K561 VanDerWaalsContact O-N 3.16Å; I559-K561 VanDerWaalsContact C-N 3.27Å; I559-K561 PolarHBondContact O-N 2.69Å; K561-P565 WeakPolarHBondContact O-CD 3.37Å |
| 562 | L | 97.2 | Very high | 96.2 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -83.9 | -41 | -167.1 | -176.5 | 61.9 | 0 | 0 | 0 | 114.4 | L520 V524 I542 L553 Y558 I559 P565 L566 V590 | L520-L562 HydrophobicContact CD2-CD2 4.42Å; V524-L562 HydrophobicContact CG2-CD1 4.39Å; I542-L562 HydrophobicContact CD1-CD1 4.16Å; I542-L562 HydrophobicContact CG2-CD1 3.91Å; I542-L562 HydrophobicContact CG2-CD2 4.12Å; L553-L562 HydrophobicContact CD2-CD2 4.24Å; Y558-L562 WeakPolarHBondContact O-CB 3.24Å; Y558-L562 PolarHBondContact O-N 3.25Å; I559-L562 PolarHBondContact O-N 3.5Å; L562-P565 WeakPolarHBondContact O-CD 3.08Å; L562-P565 VanDerWaalsContact O-CG 3.25Å; L562-P565 WeakPolarHBondContact O-CG 3.35Å; L562-L566 HydrophobicContact CD1-CD1 4.19Å; L562-L566 HydrophobicContact CD2-CD1 4.48Å; L562-L566 HydrophobicContact CG-CD1 3.92Å; L562-V590 HydrophobicContact CD2-CG1 4.47Å; L562-V590 HydrophobicContact CD2-CG2 4.27Å |
| 563 | M | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.7 | -38 | -173.3 | -67.7 | -55 | -55.8 | 0 | 0 | 114.5 | I559 L566 I567 L587 V590 L594 F598 Y601 | I559-M563 HydrophobicContact CG2-CG 3.78Å; I559-M563 WeakPolarHBondContact O-CB 3.28Å; I559-M563 WeakPolarHBondContact O-CG 3.32Å; I559-M563 PolarHBondContact O-N 3.18Å; M563-L566 PolarHBondContact O-N 2.88Å; M563-L566 HydrophobicContact SD-CD1 4.4Å; M563-I567 HydrophobicContact CE-CD1 4.08Å; M563-I567 HydrophobicContact CE-CG1 4.04Å; M563-I567 WeakPolarHBondContact O-CB 3.22Å; M563-I567 VanDerWaalsContact O-CG1 3.29Å; M563-I567 WeakPolarHBondContact O-CG1 3.25Å; M563-I567 PolarHBondContact O-N 3.47Å; M563-L587 HydrophobicContact CE-CD2 4.37Å; M563-V590 HydrophobicContact SD-CG1 4Å; M563-L594 HydrophobicContact CG-CD1 4.38Å; M563-L594 HydrophobicContact SD-CD1 3.99Å; M563-F598 HydrophobicContact CE-CD2 4.22Å; M563-F598 HydrophobicContact CE-CE2 3.51Å; M563-F598 HydrophobicContact CE-CZ 4.18Å; M563-F598 HydrophobicContact SD-CD2 4.38Å; M563-F598 HydrophobicContact SD-CE2 4.04Å; M563-Y601 HydrophobicContact CB-CE1 3.86Å; M563-Y601 HydrophobicContact CB-CE2 4.13Å; M563-Y601 HydrophobicContact CE-CD1 4.03Å; M563-Y601 HydrophobicContact CE-CD2 3.92Å; M563-Y601 HydrophobicContact CE-CE1 4.42Å; M563-Y601 HydrophobicContact CE-CE2 4.34Å; M563-Y601 HydrophobicContact CE-CG 3.75Å; M563-Y601 HydrophobicContact CG-CD2 4.2Å; M563-Y601 HydrophobicContact CG-CE1 4.3Å; M563-Y601 HydrophobicContact CG-CE2 3.68Å |
| 564 | P | 97.1 | Very high | 96 | Very high | 74 Ų | 74 | 60.3 Ų | 60.3 | 48% | 0.481 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -55.2 | -50.5 | 179.6 | -25.9 | 34.9 | 0 | 0 | 0 | 115.4 | Q560 I567 Q568 | Q560-P564 WeakPolarHBondContact O-CD 3.49Å; Q560-P564 VanDerWaalsContact O-CG 3.3Å; Q560-P564 WeakPolarHBondContact O-CG 3.47Å; P564-I567 PolarHBondContact O-N 3.25Å; P564-Q568 WeakPolarHBondContact O-CB 3.46Å; P564-Q568 PolarHBondContact O-N 3.01Å |
| 565 | P | 97.1 | Very high | 95.8 | Very high | 19 Ų | 19 | 60 Ų | 60 | 12% | 0.123 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.6 | -38.2 | 178.3 | 24.4 | -34.2 | 0 | 0 | 0 | 113.2 | V524 F527 K561 L562 Q568 K569 | V524-P565 HydrophobicContact CG1-CG 4.41Å; F527-P565 HydrophobicContact CB-CB 4.12Å; F527-P565 HydrophobicContact CD1-CB 4Å; F527-P565 HydrophobicContact CD2-CB 3.75Å; F527-P565 HydrophobicContact CD2-CG 3.94Å; F527-P565 HydrophobicContact CE1-CB 4.34Å; F527-P565 HydrophobicContact CE2-CB 4.08Å; F527-P565 HydrophobicContact CE2-CG 4.02Å; F527-P565 HydrophobicContact CG-CB 3.69Å; F527-P565 HydrophobicContact CG-CG 4.4Å; F527-P565 HydrophobicContact CZ-CB 4.38Å; K561-P565 WeakPolarHBondContact O-CD 3.37Å; L562-P565 WeakPolarHBondContact O-CD 3.08Å; L562-P565 VanDerWaalsContact O-CG 3.25Å; L562-P565 WeakPolarHBondContact O-CG 3.35Å; P565-Q568 WeakPolarHBondContact O-CB 3.36Å; P565-Q568 PolarHBondContact O-N 2.83Å; P565-K569 PolarHBondContact O-N 3.38Å; P565-K569 VanDerWaalsContact O-N 3.1Å |
| 566 | L | 96.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.5 | -45.7 | 176 | -70.9 | 174.2 | 0 | 0 | 0 | 111.9 | F527 Y539 L562 M563 Q568 K569 W570 L583 L587 | F527-L566 HydrophobicContact CE1-CD2 4.3Å; F527-L566 HydrophobicContact CZ-CD2 3.76Å; F527-L566 HydrophobicContact CZ-CG 4.26Å; Y539-L566 HydrophobicContact CD1-CD2 4.07Å; Y539-L566 HydrophobicContact CE1-CD2 4.13Å; L562-L566 HydrophobicContact CD1-CD1 4.19Å; L562-L566 HydrophobicContact CD2-CD1 4.48Å; L562-L566 HydrophobicContact CG-CD1 3.92Å; M563-L566 PolarHBondContact O-N 2.88Å; M563-L566 HydrophobicContact SD-CD1 4.4Å; L566-Q568 VanDerWaalsContact C-N 3.31Å; L566-Q568 PolarHBondContact O-N 3.38Å; L566-K569 PolarHBondContact O-N 3.1Å; L566-W570 WeakPolarHBondContact O-CB 3.23Å; L566-W570 PolarHBondContact O-N 3.17Å; L566-L583 HydrophobicContact CD2-CD1 3.89Å; L566-L587 HydrophobicContact CB-CD2 4.42Å; L566-L587 HydrophobicContact CD1-CD2 4.23Å |
| 567 | I | 95.7 | Very high | 95.2 | Very high | 39 Ų | 39 | 60.5 Ų | 60.5 | 20% | 0.2 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69 | -31.7 | 178.5 | -65.1 | -62.8 | 0 | 0 | 0 | 111.5 | M563 P564 W570 N571 Y601 | M563-I567 HydrophobicContact CE-CD1 4.08Å; M563-I567 HydrophobicContact CE-CG1 4.04Å; M563-I567 WeakPolarHBondContact O-CB 3.22Å; M563-I567 VanDerWaalsContact O-CG1 3.29Å; M563-I567 WeakPolarHBondContact O-CG1 3.25Å; M563-I567 PolarHBondContact O-N 3.47Å; P564-I567 PolarHBondContact O-N 3.25Å; I567-W570 WeakPolarHBondContact O-CB 3.29Å; I567-N571 VanDerWaalsContact O-CG 3.3Å; I567-N571 PolarHBondContact O-N 2.91Å; I567-N571 VanDerWaalsContact O-N 3.15Å; I567-N571 PolarHBondContact O-ND2 3.02Å; I567-Y601 HydrophobicContact CD1-CD1 4.26Å; I567-Y601 HydrophobicContact CG1-CD1 4.11Å |
| 568 | Q | 95.5 | Very high | 94.8 | Very high | 110 Ų | 110 | 59.1 Ų | 59.1 | 51% | 0.514 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59 | -51.1 | 171.6 | -178 | -176.3 | -19.5 | 0 | 0 | 110.2 | P564 P565 L566 W570 N571 E572 | P564-Q568 WeakPolarHBondContact O-CB 3.46Å; P564-Q568 PolarHBondContact O-N 3.01Å; P565-Q568 WeakPolarHBondContact O-CB 3.36Å; P565-Q568 PolarHBondContact O-N 2.83Å; L566-Q568 VanDerWaalsContact C-N 3.31Å; L566-Q568 PolarHBondContact O-N 3.38Å; Q568-W570 PolarHBondContact O-N 3.21Å; Q568-N571 PolarHBondContact O-N 2.96Å; Q568-E572 WeakPolarHBondContact CG-OE1 3.34Å; Q568-E572 PolarHBondContact NE2-OE1 3.38Å; Q568-E572 WeakPolarHBondContact O-CG 3.39Å; Q568-E572 PolarHBondContact O-N 2.87Å |
| 569 | K | 94.4 | Very high | 94.4 | Very high | 48 Ų | 48 | 58.3 Ų | 58.3 | 21% | 0.209 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 179.5 | -69.1 | -70.6 | 169.1 | -162.5 | 0 | 113.2 | L535 Y539 P565 L566 N571 E572 L573 L583 | L535-K569 HydrophobicContact CD2-CD 3.87Å; Y539-K569 VanDerWaalsContact OH-CB 3.3Å; Y539-K569 WeakPolarHBondContact OH-CB 3.44Å; Y539-K569 WeakPolarHBondContact OH-CD 3.48Å; Y539-K569 VanDerWaalsContact OH-CG 3.22Å; Y539-K569 WeakPolarHBondContact OH-CG 3.33Å; P565-K569 PolarHBondContact O-N 3.38Å; P565-K569 VanDerWaalsContact O-N 3.1Å; L566-K569 PolarHBondContact O-N 3.1Å; K569-N571 VanDerWaalsContact C-N 3.26Å; K569-N571 PolarHBondContact O-N 3.02Å; K569-E572 WeakPolarHBondContact CD-OE2 3.29Å; K569-E572 IonicContact NZ-OE2 3.94Å; K569-E572 PolarHBondContact NZ-OE2 2.86Å; K569-E572 PolarHBondContact O-N 3.06Å; K569-L573 PolarHBondContact O-N 2.87Å; K569-L573 VanDerWaalsContact O-N 3.15Å; K569-L583 HydrophobicContact CB-CD2 4.34Å |
| 570 | W | 93.6 | Very high | 94.1 | Very high | 12 Ų | 12 | 57.4 Ų | 57.4 | 5% | 0.045 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -51.6 | -43.1 | 171.8 | 172.7 | -97.3 | 0 | 0 | 0 | 113.5 | L566 I567 Q568 L583 L584 L587 V605 R608 | L566-W570 WeakPolarHBondContact O-CB 3.23Å; L566-W570 PolarHBondContact O-N 3.17Å; I567-W570 WeakPolarHBondContact O-CB 3.29Å; Q568-W570 PolarHBondContact O-N 3.21Å; W570-L583 HydrophobicContact CB-CD2 4.27Å; W570-L583 HydrophobicContact CE3-CD2 4.36Å; W570-L584 HydrophobicContact CE3-CD2 4.09Å; W570-L584 HydrophobicContact CH2-CD2 4.03Å; W570-L584 HydrophobicContact CZ3-CD2 3.25Å; W570-L584 HydrophobicContact CZ3-CG 4.31Å; W570-L587 HydrophobicContact CE3-CD1 3.94Å; W570-L587 HydrophobicContact CZ3-CD1 4.34Å; W570-V605 HydrophobicContact CH2-CG1 4.4Å; W570-V605 HydrophobicContact CZ2-CB 4.4Å; W570-V605 HydrophobicContact CZ2-CG2 4.2Å; W570-R608 HydrophobicContact CH2-CB 3.71Å; W570-R608 HydrophobicContact CH2-CG 3.98Å; W570-R608 HydrophobicContact CZ2-CB 3.55Å; W570-R608 HydrophobicContact CZ2-CG 4Å; W570-R608 PolarHBondContact O-NH1 3.21Å |
| 571 | N | 94.4 | Very high | 93.9 | Very high | 118 Ų | 118 | 50.8 Ų | 50.8 | 63% | 0.631 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -78.8 | -20.4 | -179.3 | -67.7 | -44.1 | 0 | 0 | 0 | 113.3 | I567 Q568 K569 | I567-N571 VanDerWaalsContact O-CG 3.3Å; I567-N571 PolarHBondContact O-N 2.91Å; I567-N571 VanDerWaalsContact O-N 3.15Å; I567-N571 PolarHBondContact O-ND2 3.02Å; Q568-N571 PolarHBondContact O-N 2.96Å; K569-N571 VanDerWaalsContact C-N 3.26Å; K569-N571 PolarHBondContact O-N 3.02Å |
| 572 | E | 94.3 | Very high | 93.6 | Very high | 101 Ų | 101 | 48.6 Ų | 48.6 | 47% | 0.472 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -78.9 | -39.9 | 178.5 | -74 | 172.3 | -171.8 | 0 | 0 | 111.8 | Q568 K569 | Q568-E572 WeakPolarHBondContact CG-OE1 3.34Å; Q568-E572 PolarHBondContact NE2-OE1 3.38Å; Q568-E572 WeakPolarHBondContact O-CG 3.39Å; Q568-E572 PolarHBondContact O-N 2.87Å; K569-E572 WeakPolarHBondContact CD-OE2 3.29Å; K569-E572 IonicContact NZ-OE2 3.94Å; K569-E572 PolarHBondContact NZ-OE2 2.86Å; K569-E572 PolarHBondContact O-N 3.06Å |
| 573 | L | 93.7 | Very high | 93.5 | Very high | 22 Ų | 22 | 48.5 Ų | 48.5 | 12% | 0.115 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -77 | 141.7 | -174.5 | -64.5 | 177.6 | 0 | 0 | 0 | 113 | K569 D577 D579 L580 L583 R608 | K569-L573 PolarHBondContact O-N 2.87Å; K569-L573 VanDerWaalsContact O-N 3.15Å; L573-D577 HydrophobicContact CD2-CB 4.49Å; L573-D579 HydrophobicContact CD1-CB 3.76Å; L573-D579 HydrophobicContact CD2-CB 3.68Å; L573-D579 HydrophobicContact CG-CB 4.38Å; L573-L580 HydrophobicContact CB-CD2 3.79Å; L573-L580 HydrophobicContact CB-CG 4.28Å; L573-L580 HydrophobicContact CD1-CD2 3.95Å; L573-L580 HydrophobicContact CD1-CG 4.46Å; L573-L583 HydrophobicContact CD1-CD2 3.79Å; L573-R608 PolarHBondContact O-NH2 3.3Å |
| 574 | K | 94.7 | Very high | 93.4 | Very high | 147 Ų | 147 | 48.5 Ų | 48.5 | 64% | 0.639 | 24% | 0.239 | S | C | * | . | trans | -88.6 | 165.4 | 174.8 | -63.6 | 178.2 | -172.7 | 165 | 0 | 111.4 | E576 D577 L580 | K574-E576 PolarHBondContact O-N 3.01Å; K574-D577 WeakPolarHBondContact O-CB 3.43Å; K574-D577 PolarHBondContact O-N 3.15Å; K574-L580 WeakPolarHBondContact O-CD1 3.34Å | ||
| 575 | D | 92.7 | Very high | 93 | Very high | 34 Ų | 34 | 48 Ų | 48 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -18.1 | -178.3 | -73.5 | -3.1 | 0 | 0 | 0 | 113.6 | R608 L612 K615 F637 | D575-R608 IonicContact OD1-CZ 2.69Å; D575-R608 IonicContact OD1-NE 2.93Å; D575-R608 PolarHBondContact OD1-NE 3Å; D575-R608 IonicContact OD1-NH2 2.69Å; D575-R608 PolarHBondContact OD1-NH2 3.21Å; D575-L612 HydrophobicContact CB-CD2 3.7Å; D575-K615 IonicContact OD2-NZ 3.2Å; D575-K615 PolarHBondContact OD2-NZ 3.19Å; D575-F637 VanDerWaalsContact O-CD1 3.3Å; D575-F637 WeakPolarHBondContact O-CD1 3.45Å; D575-F637 WeakPolarHBondContact O-CE1 3.43Å |
| 576 | E | 90.5 | Very high | 93 | Very high | 136 Ų | 136 | 47.1 Ų | 47.1 | 64% | 0.636 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 2.1 | 178.8 | -50.9 | 78.2 | -164.5 | 0 | 0 | 112.7 | K574 F637 | K574-E576 PolarHBondContact O-N 3.01Å; E576-F637 VanDerWaalsContact C-CZ 3.49Å; E576-F637 WeakPolarHBondContact O-CZ 3.49Å |
| 577 | D | 90.8 | Very high | 93 | Very high | 58 Ų | 58 | 47.1 Ų | 47.1 | 31% | 0.31 | 23% | 0.225 | S | C | . | . | trans | -87.9 | 123.4 | -175.6 | -157.5 | -31.4 | 0 | 0 | 0 | 111.2 | L573 K574 D579 L580 F637 | L573-D577 HydrophobicContact CD2-CB 4.49Å; K574-D577 WeakPolarHBondContact O-CB 3.43Å; K574-D577 PolarHBondContact O-N 3.15Å; D577-D579 PolarHBondContact O-N 3.29Å; D577-D579 WeakPolarHBondContact OD1-CB 3.46Å; D577-D579 PolarHBondContact OD1-N 3.18Å; D577-L580 VanDerWaalsContact O-CB 3.28Å; D577-L580 WeakPolarHBondContact O-CB 3.34Å; D577-L580 WeakPolarHBondContact O-CG 3.06Å; D577-L580 PolarHBondContact O-N 3.48Å; D577-F637 WeakPolarHBondContact O-CE1 3.36Å | ||
| 578 | K | 89.2 | Confident | 92.9 | Very high | 72 Ų | 72 | 45.9 Ų | 45.9 | 31% | 0.313 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -18.1 | -177.5 | -66.9 | -165.5 | 169.8 | -133.9 | 0 | 112.9 | L580 F581 D634 F637 | K578-L580 PolarHBondContact O-N 3.24Å; K578-F581 HydrophobicContact CB-CD2 4.36Å; K578-F581 HydrophobicContact CB-CE2 3.96Å; K578-F581 HydrophobicContact CB-CZ 4.31Å; K578-F581 HydrophobicContact CD-CE2 4.19Å; K578-F581 HydrophobicContact CG-CE2 3.97Å; K578-F581 HydrophobicContact CG-CZ 4.06Å; K578-F581 WeakPolarHBondContact O-CD2 3.27Å; K578-F581 WeakPolarHBondContact O-CG 3.21Å; K578-F581 PolarHBondContact O-N 3.37Å; K578-D634 VanDerWaalsContact CE-OD2 3.28Å; K578-D634 WeakPolarHBondContact CE-OD2 3.33Å; K578-D634 IonicContact NZ-OD2 3.28Å; K578-D634 PolarHBondContact NZ-OD2 3.05Å; K578-F637 HydrophobicContact CG-CZ 4.31Å |
| 579 | D | 88.8 | Confident | 92.8 | Very high | 23 Ų | 23 | 41.6 Ų | 41.6 | 12% | 0.123 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -16.5 | 169.5 | -73.3 | 7.8 | 0 | 0 | 0 | 113.1 | H532 L536 L573 D577 F581 P582 | H532-D579 IonicContact CE1-OD1 2.65Å; H532-D579 PolarHBondContact CE1-OD1 3.48Å; H532-D579 IonicContact CE1-OD2 2.93Å; H532-D579 PolarHBondContact CE1-OD2 3.4Å; H532-D579 IonicContact ND1-OD2 2.73Å; H532-D579 PolarHBondContact ND1-OD2 2.95Å; H532-D579 IonicContact NE2-OD1 3.98Å; H532-D579 PolarHBondContact NE2-OD1 3.21Å; H532-D579 IonicContact NE2-OD2 3.71Å; L536-D579 HydrophobicContact CD2-CB 4.37Å; L573-D579 HydrophobicContact CD1-CB 3.76Å; L573-D579 HydrophobicContact CD2-CB 3.68Å; L573-D579 HydrophobicContact CG-CB 4.38Å; D577-D579 PolarHBondContact O-N 3.29Å; D577-D579 WeakPolarHBondContact OD1-CB 3.46Å; D577-D579 PolarHBondContact OD1-N 3.18Å; D579-F581 PolarHBondContact O-N 3.14Å; D579-P582 WeakPolarHBondContact O-CD 3.47Å |
| 580 | L | 91 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.5 | -28.1 | 172.1 | -76.3 | -179.1 | 0 | 0 | 0 | 112.4 | L573 K574 D577 K578 L584 F637 | L573-L580 HydrophobicContact CB-CD2 3.79Å; L573-L580 HydrophobicContact CB-CG 4.28Å; L573-L580 HydrophobicContact CD1-CD2 3.95Å; L573-L580 HydrophobicContact CD1-CG 4.46Å; K574-L580 WeakPolarHBondContact O-CD1 3.34Å; D577-L580 VanDerWaalsContact O-CB 3.28Å; D577-L580 WeakPolarHBondContact O-CB 3.34Å; D577-L580 WeakPolarHBondContact O-CG 3.06Å; D577-L580 PolarHBondContact O-N 3.48Å; K578-L580 PolarHBondContact O-N 3.24Å; L580-L584 HydrophobicContact CB-CD1 4.35Å; L580-L584 WeakPolarHBondContact O-CB 3.42Å; L580-L584 WeakPolarHBondContact O-CG 3.26Å; L580-L584 PolarHBondContact O-N 3.22Å; L580-F637 HydrophobicContact CB-CE1 4.47Å; L580-F637 HydrophobicContact CD1-CD1 4.42Å; L580-F637 HydrophobicContact CD1-CE1 4.19Å |
| 581 | F | 91.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.5 | -57.2 | -174.4 | -44.9 | -30.7 | 0 | 0 | 0 | 111.4 | R336 H338 K578 D579 L583 L584 E585 D636 F637 V640 | R336-F581 WeakPolarHBondContact O-CE2 3.3Å; H338-F581 HydrophobicContact CB-CB 4.36Å; H338-F581 HydrophobicContact CB-CG 4.31Å; K578-F581 HydrophobicContact CB-CD2 4.36Å; K578-F581 HydrophobicContact CB-CE2 3.96Å; K578-F581 HydrophobicContact CB-CZ 4.31Å; K578-F581 HydrophobicContact CD-CE2 4.19Å; K578-F581 HydrophobicContact CG-CE2 3.97Å; K578-F581 HydrophobicContact CG-CZ 4.06Å; K578-F581 WeakPolarHBondContact O-CD2 3.27Å; K578-F581 WeakPolarHBondContact O-CG 3.21Å; K578-F581 PolarHBondContact O-N 3.37Å; D579-F581 PolarHBondContact O-N 3.14Å; F581-L583 VanDerWaalsContact C-N 3.34Å; F581-L583 PolarHBondContact O-N 3.16Å; F581-L584 PolarHBondContact O-N 2.82Å; F581-L584 VanDerWaalsContact O-N 3.13Å; F581-E585 WeakPolarHBondContact O-CG 3.44Å; F581-E585 PolarHBondContact O-N 2.72Å; F581-D636 HydrophobicContact CE1-CB 3.98Å; F581-D636 HydrophobicContact CE2-CB 3.96Å; F581-D636 HydrophobicContact CZ-CB 3.58Å; F581-F637 AromaticContact CE1-CD1 3.66Å; F581-F637 HydrophobicContact CE1-CD1 3.66Å; F581-F637 HydrophobicContact CE1-CD2 4Å; F581-F637 AromaticContact CE1-CE1 3.65Å; F581-F637 HydrophobicContact CE1-CE1 3.65Å; F581-F637 HydrophobicContact CE1-CE2 4Å; F581-F637 AromaticContact CE1-CG 3.83Å; F581-F637 HydrophobicContact CE1-CG 3.83Å; F581-F637 AromaticContact CE1-CZ 3.82Å; F581-F637 HydrophobicContact CE1-CZ 3.82Å; F581-F637 HydrophobicContact CZ-CD1 4.47Å; F581-F637 HydrophobicContact CZ-CD2 4.11Å; F581-F637 HydrophobicContact CZ-CE1 4.24Å; F581-F637 AromaticContact CZ-CE2 3.86Å; F581-F637 HydrophobicContact CZ-CE2 3.86Å; F581-F637 HydrophobicContact CZ-CG 4.4Å; F581-F637 AromaticContact CZ-CZ 3.92Å; F581-F637 HydrophobicContact CZ-CZ 3.92Å; F581-V640 HydrophobicContact CD1-CG1 4.05Å |
| 582 | P | 90.3 | Very high | 93 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.5 | -35 | -177.7 | -20.9 | 36.8 | 0 | 0 | 0 | 112.3 | L536 Y539 D579 L584 C586 | L536-P582 HydrophobicContact CB-CG 4.42Å; L536-P582 HydrophobicContact CD2-CG 4.22Å; Y539-P582 HydrophobicContact CD2-CB 4.03Å; D579-P582 WeakPolarHBondContact O-CD 3.47Å; P582-L584 VanDerWaalsContact C-N 3.33Å; P582-L584 PolarHBondContact O-N 2.99Å; P582-C586 VanDerWaalsContact O-CB 3.25Å; P582-C586 WeakPolarHBondContact O-CB 3.39Å; P582-C586 PolarHBondContact O-N 3.04Å |
| 583 | L | 94.7 | Very high | 93 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.8 | -40.7 | 175.2 | 176.9 | 62.6 | 0 | 0 | 0 | 111.7 | Y539 L566 K569 W570 L573 F581 L587 | Y539-L583 HydrophobicContact CD1-CD1 3.95Å; Y539-L583 HydrophobicContact CD2-CB 4.37Å; Y539-L583 HydrophobicContact CE1-CB 4.48Å; Y539-L583 HydrophobicContact CE1-CD1 3.57Å; Y539-L583 HydrophobicContact CE2-CB 4.23Å; L566-L583 HydrophobicContact CD2-CD1 3.89Å; K569-L583 HydrophobicContact CB-CD2 4.34Å; W570-L583 HydrophobicContact CB-CD2 4.27Å; W570-L583 HydrophobicContact CE3-CD2 4.36Å; L573-L583 HydrophobicContact CD1-CD2 3.79Å; F581-L583 VanDerWaalsContact C-N 3.34Å; F581-L583 PolarHBondContact O-N 3.16Å; L583-L587 HydrophobicContact CD1-CD1 4.33Å; L583-L587 HydrophobicContact CD1-CG 4.44Å; L583-L587 HydrophobicContact CG-CD1 4.22Å; L583-L587 WeakPolarHBondContact O-CB 3.37Å; L583-L587 WeakPolarHBondContact O-CG 3.22Å; L583-L587 PolarHBondContact O-N 3.43Å |
| 584 | L | 94.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -76.5 | -37.1 | -177.8 | -75.8 | -174 | 0 | 0 | 0 | 113.1 | W570 L580 F581 P582 L587 S588 L612 V640 L644 | W570-L584 HydrophobicContact CE3-CD2 4.09Å; W570-L584 HydrophobicContact CH2-CD2 4.03Å; W570-L584 HydrophobicContact CZ3-CD2 3.25Å; W570-L584 HydrophobicContact CZ3-CG 4.31Å; L580-L584 HydrophobicContact CB-CD1 4.35Å; L580-L584 WeakPolarHBondContact O-CB 3.42Å; L580-L584 WeakPolarHBondContact O-CG 3.26Å; L580-L584 PolarHBondContact O-N 3.22Å; F581-L584 PolarHBondContact O-N 2.82Å; F581-L584 VanDerWaalsContact O-N 3.13Å; P582-L584 VanDerWaalsContact C-N 3.33Å; P582-L584 PolarHBondContact O-N 2.99Å; L584-L587 HydrophobicContact CD2-CD1 4.26Å; L584-L587 PolarHBondContact O-N 3.39Å; L584-S588 WeakPolarHBondContact O-CB 3.35Å; L584-S588 PolarHBondContact O-N 3.2Å; L584-L612 HydrophobicContact CD1-CD1 4.38Å; L584-V640 HydrophobicContact CB-CG1 4.49Å; L584-V640 HydrophobicContact CB-CG2 3.38Å; L584-V640 HydrophobicContact CD1-CG1 3.69Å; L584-V640 HydrophobicContact CD1-CG2 4.14Å; L584-V640 HydrophobicContact CG-CG2 4.38Å; L584-L644 HydrophobicContact CD2-CD2 3.32Å; L584-L644 HydrophobicContact CG-CD2 4.46Å |
| 585 | E | 90.4 | Very high | 93.3 | Very high | 62 Ų | 62 | 26.1 Ų | 26.1 | 29% | 0.29 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -58.1 | -49.5 | 169 | -72.6 | 172.1 | 139.5 | 0 | 0 | 110.2 | H338 F581 L587 S588 S589 V640 | H338-E585 VanDerWaalsContact CE1-CG 3.49Å; H338-E585 WeakPolarHBondContact CE1-CG 3.31Å; H338-E585 IonicContact CE1-OE1 3.53Å; H338-E585 PolarHBondContact CE1-OE1 3.47Å; H338-E585 IonicContact CG-OE1 2.99Å; H338-E585 IonicContact ND1-OE1 2.83Å; H338-E585 PolarHBondContact ND1-OE1 2.66Å; F581-E585 WeakPolarHBondContact O-CG 3.44Å; F581-E585 PolarHBondContact O-N 2.72Å; E585-L587 PolarHBondContact O-N 3.03Å; E585-S588 VanDerWaalsContact O-CB 3.25Å; E585-S588 WeakPolarHBondContact O-CB 3.5Å; E585-S588 PolarHBondContact O-N 3.47Å; E585-S589 PolarHBondContact O-N 3.49Å; E585-V640 HydrophobicContact CG-CG2 4.17Å |
| 586 | C | 95.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.014 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -55.6 | -48 | 173.7 | 168 | 0 | 0 | 0 | 0 | 112.5 | Y539 I542 P582 S588 S589 V590 | Y539-C586 WeakPolarHBondContact O-CB 3.2Å; I542-C586 VanDerWaalsContact CG2-SG 3.59Å; P582-C586 VanDerWaalsContact O-CB 3.25Å; P582-C586 WeakPolarHBondContact O-CB 3.39Å; P582-C586 PolarHBondContact O-N 3.04Å; C586-S588 PolarHBondContact O-N 2.85Å; C586-S589 PolarHBondContact O-N 3.16Å; C586-V590 WeakPolarHBondContact O-CB 3.26Å; C586-V590 VanDerWaalsContact O-CG2 3.27Å; C586-V590 WeakPolarHBondContact O-CG2 3.46Å; C586-V590 PolarHBondContact O-N 3.05Å |
| 587 | L | 97.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.9 | -28.3 | 178.6 | -78.6 | 172.3 | 0 | 0 | 0 | 112.5 | M563 L566 W570 L583 L584 E585 A591 F598 L644 | M563-L587 HydrophobicContact CE-CD2 4.37Å; L566-L587 HydrophobicContact CB-CD2 4.42Å; L566-L587 HydrophobicContact CD1-CD2 4.23Å; W570-L587 HydrophobicContact CE3-CD1 3.94Å; W570-L587 HydrophobicContact CZ3-CD1 4.34Å; L583-L587 HydrophobicContact CD1-CD1 4.33Å; L583-L587 HydrophobicContact CD1-CG 4.44Å; L583-L587 HydrophobicContact CG-CD1 4.22Å; L583-L587 WeakPolarHBondContact O-CB 3.37Å; L583-L587 WeakPolarHBondContact O-CG 3.22Å; L583-L587 PolarHBondContact O-N 3.43Å; L584-L587 HydrophobicContact CD2-CD1 4.26Å; L584-L587 PolarHBondContact O-N 3.39Å; E585-L587 PolarHBondContact O-N 3.03Å; L587-A591 WeakPolarHBondContact O-CB 3.41Å; L587-A591 PolarHBondContact O-N 2.63Å; L587-F598 HydrophobicContact CD2-CE2 4.32Å; L587-F598 HydrophobicContact CD2-CZ 4.31Å; L587-L644 HydrophobicContact CB-CD1 4.08Å |
| 588 | S | 93.5 | Very high | 94 | Very high | 13 Ų | 13 | 18.9 Ų | 18.9 | 9% | 0.091 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65 | -52 | 176.4 | -167.3 | 0 | 0 | 0 | 0 | 110.7 | L584 E585 C586 A591 T592 D643 | L584-S588 WeakPolarHBondContact O-CB 3.35Å; L584-S588 PolarHBondContact O-N 3.2Å; E585-S588 VanDerWaalsContact O-CB 3.25Å; E585-S588 WeakPolarHBondContact O-CB 3.5Å; E585-S588 PolarHBondContact O-N 3.47Å; C586-S588 PolarHBondContact O-N 2.85Å; S588-A591 PolarHBondContact O-N 3.23Å; S588-T592 PolarHBondContact O-N 3.27Å; S588-T592 VanDerWaalsContact O-N 3.13Å; S588-T592 PolarHBondContact O-OG1 2.98Å; S588-T592 VanDerWaalsContact O-OG1 3.12Å; S588-D643 PolarHBondContact OG-O 3.49Å |
| 589 | S | 93.9 | Very high | 94.3 | Very high | 19 Ų | 19 | 18.6 Ų | 18.6 | 13% | 0.133 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.1 | -43.2 | 176.2 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | G543 D547 E585 C586 A591 T592 A593 | G543-S589 WeakPolarHBondContact O-CB 3.26Å; D547-S589 WeakPolarHBondContact OD1-CB 3.43Å; D547-S589 PolarHBondContact OD1-OG 3.48Å; D547-S589 WeakPolarHBondContact OD2-CB 3.46Å; D547-S589 PolarHBondContact OD2-OG 3.17Å; E585-S589 PolarHBondContact O-N 3.49Å; C586-S589 PolarHBondContact O-N 3.16Å; S589-A591 PolarHBondContact O-N 3.05Å; S589-T592 PolarHBondContact O-N 3.37Å; S589-A593 WeakPolarHBondContact O-CB 3.3Å; S589-A593 PolarHBondContact O-N 3.47Å |
| 590 | V | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.1 | -42.1 | 177.2 | 170.9 | 0 | 0 | 0 | 0 | 111.8 | I542 A546 L562 M563 C586 T592 A593 L594 F598 | I542-V590 HydrophobicContact CG2-CG2 4.01Å; A546-V590 HydrophobicContact CB-CG2 4Å; L562-V590 HydrophobicContact CD2-CG1 4.47Å; L562-V590 HydrophobicContact CD2-CG2 4.27Å; M563-V590 HydrophobicContact SD-CG1 4Å; C586-V590 WeakPolarHBondContact O-CB 3.26Å; C586-V590 VanDerWaalsContact O-CG2 3.27Å; C586-V590 WeakPolarHBondContact O-CG2 3.46Å; C586-V590 PolarHBondContact O-N 3.05Å; V590-T592 VanDerWaalsContact C-N 3.35Å; V590-T592 PolarHBondContact O-N 3.37Å; V590-A593 PolarHBondContact O-N 3.27Å; V590-L594 HydrophobicContact CG1-CD1 3.67Å; V590-L594 HydrophobicContact CG1-CG 4.01Å; V590-L594 VanDerWaalsContact O-CB 3.28Å; V590-L594 WeakPolarHBondContact O-CB 3.35Å; V590-L594 VanDerWaalsContact O-CG 3.26Å; V590-L594 WeakPolarHBondContact O-CG 3.38Å; V590-L594 PolarHBondContact O-N 3.15Å; V590-F598 HydrophobicContact CG1-CE2 4.41Å |
| 591 | A | 96.5 | Very high | 95 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.008 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.3 | -42.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L587 S588 S589 Q595 F598 L648 | L587-A591 WeakPolarHBondContact O-CB 3.41Å; L587-A591 PolarHBondContact O-N 2.63Å; S588-A591 PolarHBondContact O-N 3.23Å; S589-A591 PolarHBondContact O-N 3.05Å; A591-Q595 PolarHBondContact O-N 3.22Å; A591-F598 HydrophobicContact CB-CD1 4.11Å; A591-F598 HydrophobicContact CB-CD2 4.2Å; A591-F598 HydrophobicContact CB-CE1 4.23Å; A591-F598 HydrophobicContact CB-CE2 4.29Å; A591-F598 HydrophobicContact CB-CG 4.1Å; A591-F598 HydrophobicContact CB-CZ 4.31Å; A591-L648 HydrophobicContact CB-CD2 3.93Å |
| 592 | T | 93.4 | Very high | 95.3 | Very high | 27 Ų | 27 | 25.5 Ų | 25.5 | 17% | 0.166 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.2 | -45.7 | 176 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | S588 S589 V590 Q595 G647 E650 | S588-T592 PolarHBondContact O-N 3.27Å; S588-T592 VanDerWaalsContact O-N 3.13Å; S588-T592 PolarHBondContact O-OG1 2.98Å; S588-T592 VanDerWaalsContact O-OG1 3.12Å; S589-T592 PolarHBondContact O-N 3.37Å; V590-T592 VanDerWaalsContact C-N 3.35Å; V590-T592 PolarHBondContact O-N 3.37Å; T592-Q595 VanDerWaalsContact O-CG 3.3Å; T592-Q595 WeakPolarHBondContact O-CG 3.48Å; T592-G647 PolarHBondContact OG1-O 3.33Å; T592-E650 HydrophobicContact CG2-CG 4.16Å |
| 593 | A | 94.7 | Very high | 95.6 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 4% | 0.041 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.3 | -40.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | A546 H551 L553 S589 V590 Q595 | A546-A593 HydrophobicContact CB-CB 3.93Å; H551-A593 WeakPolarHBondContact CA-O 3.45Å; L553-A593 HydrophobicContact CB-CB 4.39Å; L553-A593 HydrophobicContact CD2-CB 4.19Å; S589-A593 WeakPolarHBondContact O-CB 3.3Å; S589-A593 PolarHBondContact O-N 3.47Å; V590-A593 PolarHBondContact O-N 3.27Å; A593-Q595 VanDerWaalsContact C-N 3.35Å |
| 594 | L | 97.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -77.4 | -19.9 | -179.3 | -68.7 | -171.2 | 0 | 0 | 0 | 113.5 | L553 N554 I559 M563 V590 S596 G597 F598 | L553-L594 HydrophobicContact CB-CD2 4.18Å; L553-L594 HydrophobicContact CD2-CD2 4.2Å; L553-L594 HydrophobicContact CG-CD2 3.85Å; L553-L594 WeakPolarHBondContact O-CD2 3.19Å; N554-L594 HydrophobicContact CB-CD2 4.41Å; N554-L594 PolarHBondContact ND2-O 3.05Å; N554-L594 PolarHBondContact OD1-O 2.97Å; I559-L594 HydrophobicContact CD1-CD2 4.01Å; I559-L594 HydrophobicContact CG1-CD1 3.96Å; I559-L594 HydrophobicContact CG1-CD2 3.57Å; I559-L594 HydrophobicContact CG1-CG 4.39Å; I559-L594 HydrophobicContact CG2-CD1 4.49Å; M563-L594 HydrophobicContact CG-CD1 4.38Å; M563-L594 HydrophobicContact SD-CD1 3.99Å; V590-L594 HydrophobicContact CG1-CD1 3.67Å; V590-L594 HydrophobicContact CG1-CG 4.01Å; V590-L594 VanDerWaalsContact O-CB 3.28Å; V590-L594 WeakPolarHBondContact O-CB 3.35Å; V590-L594 VanDerWaalsContact O-CG 3.26Å; V590-L594 WeakPolarHBondContact O-CG 3.38Å; V590-L594 PolarHBondContact O-N 3.15Å; L594-S596 PolarHBondContact O-N 3.46Å; L594-G597 WeakPolarHBondContact O-CA 3.34Å; L594-G597 PolarHBondContact O-N 3.19Å; L594-F598 HydrophobicContact CB-CB 4.12Å; L594-F598 HydrophobicContact CD1-CD2 4.09Å |
| 595 | Q | 95.6 | Very high | 95.8 | Very high | 89 Ų | 89 | 34.6 Ų | 34.6 | 42% | 0.416 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | 49 | -126.7 | -179.4 | -57.9 | 179.2 | -22.1 | 0 | 0 | 111.8 | A591 T592 A593 G597 F598 G651 L652 | A591-Q595 PolarHBondContact O-N 3.22Å; T592-Q595 VanDerWaalsContact O-CG 3.3Å; T592-Q595 WeakPolarHBondContact O-CG 3.48Å; A593-Q595 VanDerWaalsContact C-N 3.35Å; Q595-G597 PolarHBondContact O-N 3.44Å; Q595-G597 VanDerWaalsContact O-N 3.12Å; Q595-F598 WeakPolarHBondContact O-CB 3.47Å; Q595-F598 PolarHBondContact O-N 3.37Å; Q595-G651 CarbonylContact C-O 3.39Å; Q595-G651 WeakPolarHBondContact CA-O 3.25Å; Q595-G651 WeakPolarHBondContact CB-O 3.39Å; Q595-L652 WeakPolarHBondContact O-CD2 3.49Å |
| 596 | S | 94.9 | Very high | 96.2 | Very high | 60 Ų | 60 | 31.9 Ų | 31.9 | 42% | 0.42 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -60.9 | -18.8 | 176 | 59 | 0 | 0 | 0 | 0 | 114.3 | L594 F598 L599 | L594-S596 PolarHBondContact O-N 3.46Å; S596-F598 PolarHBondContact O-N 2.89Å; S596-L599 WeakPolarHBondContact O-CB 3.29Å; S596-L599 WeakPolarHBondContact O-CD1 3.39Å; S596-L599 WeakPolarHBondContact O-CG 3.44Å; S596-L599 PolarHBondContact O-N 3.09Å |
| 597 | G | 96.5 | Very high | 96.4 | Very high | 16 Ų | 16 | 36.9 Ų | 36.9 | 17% | 0.165 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -63.5 | -22 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L594 Q595 L599 P600 | L594-G597 WeakPolarHBondContact O-CA 3.34Å; L594-G597 PolarHBondContact O-N 3.19Å; Q595-G597 PolarHBondContact O-N 3.44Å; Q595-G597 VanDerWaalsContact O-N 3.12Å; G597-L599 VanDerWaalsContact C-N 3.35Å; G597-P600 WeakPolarHBondContact O-CD 3.33Å |
| 598 | F | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -81.8 | -9.1 | 178 | -158.8 | -97.3 | 0 | 0 | 0 | 114 | M563 L587 V590 A591 L594 Q595 S596 P600 Y601 C602 V605 L648 L652 | M563-F598 HydrophobicContact CE-CD2 4.22Å; M563-F598 HydrophobicContact CE-CE2 3.51Å; M563-F598 HydrophobicContact CE-CZ 4.18Å; M563-F598 HydrophobicContact SD-CD2 4.38Å; M563-F598 HydrophobicContact SD-CE2 4.04Å; L587-F598 HydrophobicContact CD2-CE2 4.32Å; L587-F598 HydrophobicContact CD2-CZ 4.31Å; V590-F598 HydrophobicContact CG1-CE2 4.41Å; A591-F598 HydrophobicContact CB-CD1 4.11Å; A591-F598 HydrophobicContact CB-CD2 4.2Å; A591-F598 HydrophobicContact CB-CE1 4.23Å; A591-F598 HydrophobicContact CB-CE2 4.29Å; A591-F598 HydrophobicContact CB-CG 4.1Å; A591-F598 HydrophobicContact CB-CZ 4.31Å; L594-F598 HydrophobicContact CB-CB 4.12Å; L594-F598 HydrophobicContact CD1-CD2 4.09Å; Q595-F598 WeakPolarHBondContact O-CB 3.47Å; Q595-F598 PolarHBondContact O-N 3.37Å; S596-F598 PolarHBondContact O-N 2.89Å; F598-P600 VanDerWaalsContact C-N 3.32Å; F598-P600 VanDerWaalsContact O-N 3.14Å; F598-Y601 HydrophobicContact CD2-CD2 4.42Å; F598-Y601 PolarHBondContact O-N 3.45Å; F598-C602 HydrophobicContact CD1-CB 4.04Å; F598-C602 HydrophobicContact CE1-CB 4.4Å; F598-C602 PolarHBondContact O-N 3.09Å; F598-V605 HydrophobicContact CE1-CB 4.49Å; F598-V605 HydrophobicContact CE1-CG2 4.3Å; F598-V605 HydrophobicContact CZ-CG2 4.27Å; F598-L648 HydrophobicContact CD1-CD2 3.65Å; F598-L648 HydrophobicContact CE1-CD2 3.55Å; F598-L652 HydrophobicContact CB-CD2 4.25Å |
| 599 | L | 96.4 | Very high | 96.6 | Very high | 66 Ų | 66 | 38 Ų | 38 | 35% | 0.346 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -39.3 | -177.6 | -75.5 | 170.3 | 0 | 0 | 0 | 115.4 | S596 G597 Y601 C602 L652 H655 | S596-L599 WeakPolarHBondContact O-CB 3.29Å; S596-L599 WeakPolarHBondContact O-CD1 3.39Å; S596-L599 WeakPolarHBondContact O-CG 3.44Å; S596-L599 PolarHBondContact O-N 3.09Å; G597-L599 VanDerWaalsContact C-N 3.35Å; L599-Y601 PolarHBondContact O-N 3.31Å; L599-Y601 VanDerWaalsContact O-N 3.12Å; L599-C602 PolarHBondContact O-SG 2.88Å; L599-L652 HydrophobicContact CD2-CD2 3.83Å; L599-L652 HydrophobicContact CG-CD2 4.05Å; L599-H655 HydrophobicContact CD2-CB 3.71Å |
| 600 | P | 97.6 | Very high | 96.8 | Very high | 102 Ų | 102 | 37.2 Ų | 37.2 | 66% | 0.662 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -16.6 | 178.8 | -23.1 | 35.7 | 0 | 0 | 0 | 114.5 | G597 F598 | G597-P600 WeakPolarHBondContact O-CD 3.33Å; F598-P600 VanDerWaalsContact C-N 3.32Å; F598-P600 VanDerWaalsContact O-N 3.14Å |
| 601 | Y | 97.3 | Very high | 96.9 | Very high | 57 Ų | 57 | 39.3 Ų | 39.3 | 22% | 0.224 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -13 | -172.2 | -47.7 | -78.6 | 0 | 0 | 0 | 112.9 | I559 M563 I567 F598 L599 E603 P604 V605 | I559-Y601 HydrophobicContact CG2-CE2 3.93Å; M563-Y601 HydrophobicContact CB-CE1 3.86Å; M563-Y601 HydrophobicContact CB-CE2 4.13Å; M563-Y601 HydrophobicContact CE-CD1 4.03Å; M563-Y601 HydrophobicContact CE-CD2 3.92Å; M563-Y601 HydrophobicContact CE-CE1 4.42Å; M563-Y601 HydrophobicContact CE-CE2 4.34Å; M563-Y601 HydrophobicContact CE-CG 3.75Å; M563-Y601 HydrophobicContact CG-CD2 4.2Å; M563-Y601 HydrophobicContact CG-CE1 4.3Å; M563-Y601 HydrophobicContact CG-CE2 3.68Å; I567-Y601 HydrophobicContact CD1-CD1 4.26Å; I567-Y601 HydrophobicContact CG1-CD1 4.11Å; F598-Y601 HydrophobicContact CD2-CD2 4.42Å; F598-Y601 PolarHBondContact O-N 3.45Å; L599-Y601 PolarHBondContact O-N 3.31Å; L599-Y601 VanDerWaalsContact O-N 3.12Å; Y601-E603 PolarHBondContact O-N 3.5Å; Y601-P604 WeakPolarHBondContact O-CD 3.47Å; Y601-P604 WeakPolarHBondContact O-CG 3.47Å; Y601-V605 VanDerWaalsContact O-CG2 3.26Å; Y601-V605 WeakPolarHBondContact O-CG2 3.41Å |
| 602 | C | 95.9 | Very high | 96.9 | Very high | 11 Ų | 11 | 39.4 Ų | 39.4 | 7% | 0.074 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.6 | -35.6 | -165.5 | 66.2 | 0 | 0 | 0 | 0 | 115.2 | F598 L599 V605 Y606 L648 L652 L659 | F598-C602 HydrophobicContact CD1-CB 4.04Å; F598-C602 HydrophobicContact CE1-CB 4.4Å; F598-C602 PolarHBondContact O-N 3.09Å; L599-C602 PolarHBondContact O-SG 2.88Å; C602-V605 PolarHBondContact O-N 3.02Å; C602-Y606 VanDerWaalsContact O-CB 3.24Å; C602-Y606 WeakPolarHBondContact O-CB 3.2Å; C602-Y606 PolarHBondContact O-N 2.95Å; C602-L648 HydrophobicContact CB-CD2 4.3Å; C602-L652 HydrophobicContact CB-CD1 3.56Å; C602-L659 HydrophobicContact CB-CD1 4.45Å |
| 603 | E | 97 | Very high | 97.2 | Very high | 123 Ų | 123 | 38.1 Ų | 38.1 | 58% | 0.575 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -61 | -52.5 | -175 | -174.9 | 170.6 | -160.7 | 0 | 0 | 113.7 | Y601 V605 Q607 L659 | Y601-E603 PolarHBondContact O-N 3.5Å; E603-V605 VanDerWaalsContact C-N 3.32Å; E603-V605 PolarHBondContact O-N 3.31Å; E603-Q607 WeakPolarHBondContact O-CB 3.47Å; E603-Q607 PolarHBondContact O-N 2.84Å; E603-L659 HydrophobicContact CB-CD2 4.19Å; E603-L659 HydrophobicContact CG-CD2 4.04Å |
| 604 | P | 97.2 | Very high | 97.3 | Very high | 72 Ų | 72 | 42.5 Ų | 42.5 | 47% | 0.468 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.4 | -34.9 | 177 | 24.9 | -34.4 | 0 | 0 | 0 | 112.9 | Y601 R608 | Y601-P604 WeakPolarHBondContact O-CD 3.47Å; Y601-P604 WeakPolarHBondContact O-CG 3.47Å; P604-R608 PolarHBondContact O-N 2.93Å; P604-R608 VanDerWaalsContact O-N 3.11Å |
| 605 | V | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.1 | -50.2 | 178.8 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | W570 F598 Y601 C602 E603 Q607 R608 C609 L644 L648 | W570-V605 HydrophobicContact CH2-CG1 4.4Å; W570-V605 HydrophobicContact CZ2-CB 4.4Å; W570-V605 HydrophobicContact CZ2-CG2 4.2Å; F598-V605 HydrophobicContact CE1-CB 4.49Å; F598-V605 HydrophobicContact CE1-CG2 4.3Å; F598-V605 HydrophobicContact CZ-CG2 4.27Å; Y601-V605 VanDerWaalsContact O-CG2 3.26Å; Y601-V605 WeakPolarHBondContact O-CG2 3.41Å; C602-V605 PolarHBondContact O-N 3.02Å; E603-V605 VanDerWaalsContact C-N 3.32Å; E603-V605 PolarHBondContact O-N 3.31Å; V605-Q607 PolarHBondContact O-N 3.44Å; V605-R608 PolarHBondContact O-N 3.37Å; V605-C609 PolarHBondContact O-N 3.13Å; V605-C609 PolarHBondContact O-SG 3.1Å; V605-L644 HydrophobicContact CG1-CD1 4.3Å; V605-L644 HydrophobicContact CG1-CD2 3.44Å; V605-L644 VanDerWaalsContact CG1-CD2 3.44Å; V605-L644 HydrophobicContact CG1-CG 4.1Å; V605-L648 HydrophobicContact CG1-CD1 3.99Å |
| 606 | Y | 98.3 | Very high | 97.4 | Very high | 6 Ų | 6 | 43.2 Ų | 43.2 | 2% | 0.024 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.1 | -48.1 | 176.7 | -175.3 | -84.4 | 0 | 0 | 0 | 111.6 | C602 R608 C609 V610 L645 L648 V656 L659 V660 S663 I665 | C602-Y606 VanDerWaalsContact O-CB 3.24Å; C602-Y606 WeakPolarHBondContact O-CB 3.2Å; C602-Y606 PolarHBondContact O-N 2.95Å; Y606-R608 VanDerWaalsContact C-N 3.34Å; Y606-R608 PolarHBondContact O-N 3.03Å; Y606-C609 PolarHBondContact O-N 3.34Å; Y606-V610 HydrophobicContact CD1-CG2 4.02Å; Y606-V610 HydrophobicContact CE1-CG2 3.62Å; Y606-V610 WeakPolarHBondContact O-CG2 3.08Å; Y606-V610 PolarHBondContact O-N 3.22Å; Y606-V610 VanDerWaalsContact O-N 3.08Å; Y606-L645 HydrophobicContact CD2-CD2 3.34Å; Y606-L645 HydrophobicContact CE2-CD2 3.5Å; Y606-L645 HydrophobicContact CG-CD2 3.92Å; Y606-L648 HydrophobicContact CD2-CD1 4.28Å; Y606-V656 HydrophobicContact CD2-CG2 4.29Å; Y606-V656 HydrophobicContact CE2-CG2 4.11Å; Y606-L659 HydrophobicContact CD1-CB 3.89Å; Y606-L659 HydrophobicContact CD2-CB 4.13Å; Y606-L659 HydrophobicContact CD2-CD1 4.14Å; Y606-L659 HydrophobicContact CE1-CB 3.92Å; Y606-L659 HydrophobicContact CE2-CB 4.15Å; Y606-L659 HydrophobicContact CG-CB 4.02Å; Y606-L659 HydrophobicContact CG-CD1 3.98Å; Y606-V660 HydrophobicContact CE2-CG2 4.38Å; Y606-V660 WeakPolarHBondContact OH-CA 3.18Å; Y606-S663 PolarHBondContact OH-OG 3.42Å; Y606-I665 WeakPolarHBondContact OH-CG2 3.35Å |
| 607 | Q | 97.9 | Very high | 97.4 | Very high | 107 Ų | 107 | 40.9 Ų | 40.9 | 50% | 0.5 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.3 | -39.1 | -177 | -174.7 | 59.5 | 45.8 | 0 | 0 | 112.6 | E603 V605 T611 | E603-Q607 WeakPolarHBondContact O-CB 3.47Å; E603-Q607 PolarHBondContact O-N 2.84Å; V605-Q607 PolarHBondContact O-N 3.44Å; Q607-T611 WeakPolarHBondContact O-CB 3.41Å; Q607-T611 PolarHBondContact O-N 3.11Å; Q607-T611 VanDerWaalsContact O-N 3.1Å; Q607-T611 PolarHBondContact O-OG1 2.95Å |
| 608 | R | 98 | Very high | 97.4 | Very high | 36 Ų | 36 | 42.5 Ų | 42.5 | 14% | 0.136 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.1 | -44.3 | 177.3 | -165.2 | -175.9 | -168.6 | 170.1 | -0.4 | 111.2 | W570 L573 D575 P604 V605 Y606 V610 T611 L612 | W570-R608 HydrophobicContact CH2-CB 3.71Å; W570-R608 HydrophobicContact CH2-CG 3.98Å; W570-R608 HydrophobicContact CZ2-CB 3.55Å; W570-R608 HydrophobicContact CZ2-CG 4Å; W570-R608 PolarHBondContact O-NH1 3.21Å; L573-R608 PolarHBondContact O-NH2 3.3Å; D575-R608 IonicContact OD1-CZ 2.69Å; D575-R608 IonicContact OD1-NE 2.93Å; D575-R608 PolarHBondContact OD1-NE 3Å; D575-R608 IonicContact OD1-NH2 2.69Å; D575-R608 PolarHBondContact OD1-NH2 3.21Å; P604-R608 PolarHBondContact O-N 2.93Å; P604-R608 VanDerWaalsContact O-N 3.11Å; V605-R608 PolarHBondContact O-N 3.37Å; Y606-R608 VanDerWaalsContact C-N 3.34Å; Y606-R608 PolarHBondContact O-N 3.03Å; R608-V610 PolarHBondContact O-N 2.86Å; R608-T611 WeakPolarHBondContact O-CA 3.35Å; R608-T611 WeakPolarHBondContact O-CB 3.44Å; R608-T611 PolarHBondContact O-N 3.11Å; R608-T611 VanDerWaalsContact O-N 3.08Å; R608-L612 WeakPolarHBondContact O-CG 3.15Å; R608-L612 PolarHBondContact O-N 3.29Å |
| 609 | C | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.4 | -46.9 | 178.6 | -63.4 | 0 | 0 | 0 | 0 | 112.1 | V605 Y606 T611 L612 V613 A641 L644 L645 | V605-C609 PolarHBondContact O-N 3.13Å; V605-C609 PolarHBondContact O-SG 3.1Å; Y606-C609 PolarHBondContact O-N 3.34Å; C609-T611 PolarHBondContact O-N 3.38Å; C609-L612 PolarHBondContact O-N 3Å; C609-V613 WeakPolarHBondContact O-CG2 3.32Å; C609-V613 PolarHBondContact O-N 2.89Å; C609-A641 HydrophobicContact CB-CB 3.95Å; C609-L644 WeakPolarHBondContact SG-CD2 3.45Å; C609-L645 HydrophobicContact CB-CD1 3.84Å; C609-L645 HydrophobicContact CB-CD2 3.88Å; C609-L645 HydrophobicContact CB-CG 3.58Å |
| 610 | V | 98.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.3 | -38.7 | 175.1 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | Y606 R608 Q614 L645 I665 L668 | Y606-V610 HydrophobicContact CD1-CG2 4.02Å; Y606-V610 HydrophobicContact CE1-CG2 3.62Å; Y606-V610 WeakPolarHBondContact O-CG2 3.08Å; Y606-V610 PolarHBondContact O-N 3.22Å; Y606-V610 VanDerWaalsContact O-N 3.08Å; R608-V610 PolarHBondContact O-N 2.86Å; V610-Q614 WeakPolarHBondContact O-CB 3.43Å; V610-Q614 PolarHBondContact O-N 3.35Å; V610-L645 HydrophobicContact CG2-CD1 4.24Å; V610-L645 HydrophobicContact CG2-CD2 4.25Å; V610-I665 HydrophobicContact CG2-CD1 4.45Å; V610-L668 HydrophobicContact CG1-CD1 3.88Å |
| 611 | T | 97.9 | Very high | 97 | Very high | 44 Ų | 44 | 43.2 Ų | 43.2 | 27% | 0.27 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.6 | -41.9 | 178.6 | -56.5 | 0 | 0 | 0 | 0 | 112.1 | Q607 R608 C609 Q614 K615 | Q607-T611 WeakPolarHBondContact O-CB 3.41Å; Q607-T611 PolarHBondContact O-N 3.11Å; Q607-T611 VanDerWaalsContact O-N 3.1Å; Q607-T611 PolarHBondContact O-OG1 2.95Å; R608-T611 WeakPolarHBondContact O-CA 3.35Å; R608-T611 WeakPolarHBondContact O-CB 3.44Å; R608-T611 PolarHBondContact O-N 3.11Å; R608-T611 VanDerWaalsContact O-N 3.08Å; C609-T611 PolarHBondContact O-N 3.38Å; T611-Q614 PolarHBondContact O-N 3.23Å; T611-K615 HydrophobicContact CG2-CD 4.18Å; T611-K615 HydrophobicContact CG2-CG 4.37Å; T611-K615 WeakPolarHBondContact O-CB 3.45Å; T611-K615 WeakPolarHBondContact O-CG 3.41Å; T611-K615 PolarHBondContact O-N 3.25Å |
| 612 | L | 97.6 | Very high | 96.8 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.5 | -51.6 | 176.4 | -72.5 | 171.9 | 0 | 0 | 0 | 110.8 | D575 L584 R608 C609 Q614 K615 T616 A641 | D575-L612 HydrophobicContact CB-CD2 3.7Å; L584-L612 HydrophobicContact CD1-CD1 4.38Å; R608-L612 WeakPolarHBondContact O-CG 3.15Å; R608-L612 PolarHBondContact O-N 3.29Å; C609-L612 PolarHBondContact O-N 3Å; L612-Q614 VanDerWaalsContact C-N 3.3Å; L612-Q614 PolarHBondContact O-N 3.26Å; L612-K615 PolarHBondContact O-N 3.11Å; L612-T616 PolarHBondContact O-N 3.48Å; L612-T616 PolarHBondContact O-OG1 2.94Å; L612-T616 VanDerWaalsContact O-OG1 3.1Å; L612-A641 HydrophobicContact CB-CB 4.04Å; L612-A641 HydrophobicContact CD1-CB 4.25Å |
| 613 | V | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -54.9 | -47.2 | 176.3 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | C609 K615 T616 L617 M638 A641 L642 L668 | C609-V613 WeakPolarHBondContact O-CG2 3.32Å; C609-V613 PolarHBondContact O-N 2.89Å; V613-K615 PolarHBondContact O-N 3.16Å; V613-T616 PolarHBondContact O-N 3.36Å; V613-L617 HydrophobicContact CG1-CD1 3.91Å; V613-L617 WeakPolarHBondContact O-CB 3.15Å; V613-L617 WeakPolarHBondContact O-CG 3.35Å; V613-L617 PolarHBondContact O-N 3.34Å; V613-M638 HydrophobicContact CB-CG 4.36Å; V613-M638 HydrophobicContact CG1-CG 4.12Å; V613-M638 HydrophobicContact CG1-SD 4.29Å; V613-M638 HydrophobicContact CG2-CG 4.14Å; V613-A641 HydrophobicContact CG2-CB 3.9Å; V613-L642 HydrophobicContact CG2-CD2 4.04Å; V613-L642 HydrophobicContact CG2-CG 3.99Å; V613-L668 HydrophobicContact CB-CD1 4.46Å; V613-L668 HydrophobicContact CG1-CB 4.07Å; V613-L668 HydrophobicContact CG1-CD1 4.18Å |
| 614 | Q | 98 | Very high | 96.4 | Very high | 96 Ų | 96 | 47.8 Ų | 47.8 | 45% | 0.449 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64 | -41.9 | -179.7 | -177.3 | 172.4 | -25.7 | 0 | 0 | 113 | V610 T611 L612 A618 N664 L668 | V610-Q614 WeakPolarHBondContact O-CB 3.43Å; V610-Q614 PolarHBondContact O-N 3.35Å; T611-Q614 PolarHBondContact O-N 3.23Å; L612-Q614 VanDerWaalsContact C-N 3.3Å; L612-Q614 PolarHBondContact O-N 3.26Å; Q614-A618 WeakPolarHBondContact O-CB 3.38Å; Q614-A618 PolarHBondContact O-N 3.28Å; Q614-A618 VanDerWaalsContact O-N 3.1Å; Q614-N664 PolarHBondContact OE1-ND2 2.74Å; Q614-N664 VanDerWaalsContact OE1-ND2 3.12Å; Q614-L668 HydrophobicContact CB-CD1 4.12Å; Q614-L668 HydrophobicContact CB-CD2 4.18Å; Q614-L668 HydrophobicContact CG-CD2 4.34Å |
| 615 | K | 96.6 | Very high | 96.2 | Very high | 97 Ų | 97 | 50.4 Ų | 50.4 | 42% | 0.422 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.2 | -47.1 | 178 | -77.3 | 177.1 | 176.5 | 179.2 | 0 | 111.3 | D575 T611 L612 V613 L617 A618 Q619 | D575-K615 IonicContact OD2-NZ 3.2Å; D575-K615 PolarHBondContact OD2-NZ 3.19Å; T611-K615 HydrophobicContact CG2-CD 4.18Å; T611-K615 HydrophobicContact CG2-CG 4.37Å; T611-K615 WeakPolarHBondContact O-CB 3.45Å; T611-K615 WeakPolarHBondContact O-CG 3.41Å; T611-K615 PolarHBondContact O-N 3.25Å; L612-K615 PolarHBondContact O-N 3.11Å; V613-K615 PolarHBondContact O-N 3.16Å; K615-L617 PolarHBondContact O-N 3.35Å; K615-A618 PolarHBondContact O-N 3.43Å; K615-Q619 PolarHBondContact O-N 3.37Å |
| 616 | T | 97.1 | Very high | 95.9 | Very high | 9 Ų | 9 | 54.7 Ų | 54.7 | 6% | 0.055 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.1 | -45.1 | -179 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | L612 V613 A618 Q619 A620 P633 K635 M638 | L612-T616 PolarHBondContact O-N 3.48Å; L612-T616 PolarHBondContact O-OG1 2.94Å; L612-T616 VanDerWaalsContact O-OG1 3.1Å; V613-T616 PolarHBondContact O-N 3.36Å; T616-A618 PolarHBondContact O-N 2.66Å; T616-Q619 PolarHBondContact O-N 3.3Å; T616-A620 WeakPolarHBondContact O-CB 3.33Å; T616-A620 PolarHBondContact O-N 3.13Å; T616-P633 HydrophobicContact CG2-CB 4.11Å; T616-P633 HydrophobicContact CG2-CG 4.38Å; T616-K635 HydrophobicContact CG2-CG 4.33Å; T616-M638 HydrophobicContact CG2-CB 3.76Å; T616-M638 HydrophobicContact CG2-CE 4.21Å; T616-M638 HydrophobicContact CG2-SD 4.31Å |
| 617 | L | 96.9 | Very high | 95.3 | Very high | 11 Ų | 11 | 58.1 Ų | 58.1 | 6% | 0.058 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 175 | -72.8 | 169.9 | 0 | 0 | 0 | 112.1 | V613 K615 Q619 A620 M621 M638 L668 Q671 | V613-L617 HydrophobicContact CG1-CD1 3.91Å; V613-L617 WeakPolarHBondContact O-CB 3.15Å; V613-L617 WeakPolarHBondContact O-CG 3.35Å; V613-L617 PolarHBondContact O-N 3.34Å; K615-L617 PolarHBondContact O-N 3.35Å; L617-Q619 PolarHBondContact O-N 3.22Å; L617-A620 PolarHBondContact O-N 3.2Å; L617-M621 WeakPolarHBondContact O-CG 3.42Å; L617-M621 PolarHBondContact O-N 3.07Å; L617-M638 HydrophobicContact CD1-SD 4.42Å; L617-M638 HydrophobicContact CD2-CE 4.49Å; L617-M638 HydrophobicContact CD2-SD 3.78Å; L617-M638 HydrophobicContact CG-SD 3.74Å; L617-L668 HydrophobicContact CD1-CB 4.4Å; L617-L668 HydrophobicContact CD1-CD2 4.07Å; L617-Q671 HydrophobicContact CD1-CB 4.14Å; L617-Q671 HydrophobicContact CD2-CB 4.3Å |
| 618 | A | 95.8 | Very high | 94.8 | Very high | 49 Ų | 49 | 62.5 Ų | 62.5 | 41% | 0.405 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q614 K615 T616 M621 M622 | Q614-A618 WeakPolarHBondContact O-CB 3.38Å; Q614-A618 PolarHBondContact O-N 3.28Å; Q614-A618 VanDerWaalsContact O-N 3.1Å; K615-A618 PolarHBondContact O-N 3.43Å; T616-A618 PolarHBondContact O-N 2.66Å; A618-M621 PolarHBondContact O-N 3.39Å; A618-M622 WeakPolarHBondContact O-CG 3.4Å; A618-M622 PolarHBondContact O-N 3.29Å; A618-M622 VanDerWaalsContact O-N 3.12Å |
| 619 | Q | 94.7 | Very high | 94.3 | Very high | 84 Ų | 84 | 67.8 Ų | 67.8 | 39% | 0.393 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.1 | -39.7 | 176.9 | -173.7 | 175.3 | -8 | 0 | 0 | 111.9 | K615 T616 L617 M621 M622 Y623 E631 P633 | K615-Q619 PolarHBondContact O-N 3.37Å; T616-Q619 PolarHBondContact O-N 3.3Å; L617-Q619 PolarHBondContact O-N 3.22Å; Q619-M621 VanDerWaalsContact C-N 3.3Å; Q619-M621 PolarHBondContact O-N 3.39Å; Q619-M622 PolarHBondContact O-N 3.18Å; Q619-Y623 PolarHBondContact O-N 3.11Å; Q619-E631 PolarHBondContact NE2-O 2.75Å; Q619-P633 HydrophobicContact CB-CB 4.02Å; Q619-P633 HydrophobicContact CB-CG 4.31Å; Q619-P633 HydrophobicContact CG-CB 3.86Å; Q619-P633 HydrophobicContact CG-CG 4.27Å |
| 620 | A | 94.6 | Very high | 93.7 | Very high | 14 Ų | 14 | 72.8 Ų | 72.8 | 12% | 0.116 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.8 | -40.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T616 L617 T624 P633 | T616-A620 WeakPolarHBondContact O-CB 3.33Å; T616-A620 PolarHBondContact O-N 3.13Å; L617-A620 PolarHBondContact O-N 3.2Å; A620-T624 WeakPolarHBondContact O-CB 3.3Å; A620-T624 PolarHBondContact O-N 3.08Å; A620-T624 PolarHBondContact O-OG1 3.49Å; A620-P633 HydrophobicContact CB-CG 3.76Å |
| 621 | M | 93.2 | Very high | 93.2 | Very high | 86 Ų | 86 | 80.5 Ų | 80.5 | 42% | 0.424 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 175.2 | -69 | -178.6 | -172.1 | 0 | 0 | 112.1 | L617 A618 Q619 T624 Q625 Q671 | L617-M621 WeakPolarHBondContact O-CG 3.42Å; L617-M621 PolarHBondContact O-N 3.07Å; A618-M621 PolarHBondContact O-N 3.39Å; Q619-M621 VanDerWaalsContact C-N 3.3Å; Q619-M621 PolarHBondContact O-N 3.39Å; M621-T624 PolarHBondContact O-N 2.85Å; M621-Q625 WeakPolarHBondContact O-CG 3.45Å; M621-Q625 PolarHBondContact O-N 3.49Å; M621-Q625 VanDerWaalsContact O-N 3.15Å; M621-Q671 VanDerWaalsContact CE-OE1 3.31Å |
| 622 | M | 93.5 | Very high | 92.9 | Very high | 81 Ų | 81 | 81.1 Ų | 81.1 | 40% | 0.399 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 177.4 | -66.5 | -64.3 | 155.7 | 0 | 0 | 112 | A618 Q619 T624 Q625 H626 Y630 | A618-M622 WeakPolarHBondContact O-CG 3.4Å; A618-M622 PolarHBondContact O-N 3.29Å; A618-M622 VanDerWaalsContact O-N 3.12Å; Q619-M622 PolarHBondContact O-N 3.18Å; M622-T624 PolarHBondContact O-N 3.07Å; M622-Q625 PolarHBondContact O-N 3.49Å; M622-H626 PolarHBondContact O-N 3.02Å; M622-Y630 HydrophobicContact CB-CD1 4.14Å; M622-Y630 HydrophobicContact CB-CD2 3.98Å; M622-Y630 HydrophobicContact CB-CE1 4.38Å; M622-Y630 HydrophobicContact CB-CE2 4.23Å; M622-Y630 HydrophobicContact CB-CG 3.93Å |
| 623 | Y | 92.8 | Very high | 92.7 | Very high | 95 Ų | 95 | 81.7 Ų | 81.7 | 37% | 0.373 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -59.1 | -46.1 | 173.9 | 172.8 | -110.8 | 0 | 0 | 0 | 111.9 | Q619 Q625 H626 P627 Y630 A632 | Q619-Y623 PolarHBondContact O-N 3.11Å; Y623-Q625 VanDerWaalsContact C-N 3.26Å; Y623-Q625 PolarHBondContact O-N 3.45Å; Y623-H626 CarbonylContact O-C 3.45Å; Y623-H626 PolarHBondContact O-N 3.06Å; Y623-P627 HydrophobicContact CD2-CB 4.14Å; Y623-P627 HydrophobicContact CE2-CB 3.78Å; Y623-P627 VanDerWaalsContact O-CA 3.29Å; Y623-P627 WeakPolarHBondContact O-CA 3.26Å; Y623-P627 VanDerWaalsContact O-CD 3.3Å; Y623-P627 WeakPolarHBondContact O-CD 3.35Å; Y623-Y630 VanDerWaalsContact CD2-O 3.29Å; Y623-Y630 WeakPolarHBondContact CD2-O 3.41Å; Y623-A632 HydrophobicContact CD1-CB 3.96Å; Y623-A632 HydrophobicContact CD2-CB 4.18Å; Y623-A632 HydrophobicContact CE1-CB 3.85Å; Y623-A632 HydrophobicContact CE2-CB 4.08Å; Y623-A632 HydrophobicContact CG-CB 4.12Å |
| 624 | T | 91.5 | Very high | 92.4 | Very high | 111 Ų | 111 | 84.1 Ų | 84.1 | 68% | 0.681 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62 | -35.2 | -179.9 | -55.9 | 0 | 0 | 0 | 0 | 112.2 | A620 M621 M622 | A620-T624 WeakPolarHBondContact O-CB 3.3Å; A620-T624 PolarHBondContact O-N 3.08Å; A620-T624 PolarHBondContact O-OG1 3.49Å; M621-T624 PolarHBondContact O-N 2.85Å; M622-T624 PolarHBondContact O-N 3.07Å |
| 625 | Q | 93.3 | Very high | 92.3 | Very high | 126 Ų | 126 | 81.1 Ų | 81.1 | 59% | 0.589 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -80.9 | -35.3 | 178.9 | -68.7 | 176.8 | 20.5 | 0 | 0 | 112.9 | M621 M622 Y623 | M621-Q625 WeakPolarHBondContact O-CG 3.45Å; M621-Q625 PolarHBondContact O-N 3.49Å; M621-Q625 VanDerWaalsContact O-N 3.15Å; M622-Q625 PolarHBondContact O-N 3.49Å; Y623-Q625 VanDerWaalsContact C-N 3.26Å; Y623-Q625 PolarHBondContact O-N 3.45Å |
| 626 | H | 91.1 | Very high | 92.1 | Very high | 90 Ų | 90 | 77.3 Ų | 77.3 | 42% | 0.417 | 40% | 0.395 | S | S | . | . | trans | -141 | 69.2 | -172.9 | -61.1 | -52.4 | 0 | 0 | 0 | 112 | M622 Y623 E628 Q629 Y630 | M622-H626 PolarHBondContact O-N 3.02Å; Y623-H626 CarbonylContact O-C 3.45Å; Y623-H626 PolarHBondContact O-N 3.06Å; H626-E628 PolarHBondContact O-N 3.31Å; H626-E628 VanDerWaalsContact O-N 3.14Å; H626-Q629 HydrophobicContact CB-CB 4.27Å; H626-Q629 PolarHBondContact O-N 3.37Å; H626-Y630 HydrophobicContact CB-CD2 3.94Å; H626-Y630 HydrophobicContact CB-CE2 4.16Å; H626-Y630 PolarHBondContact O-N 3.1Å | ||
| 627 | P | 86.9 | Confident | 92 | Very high | 79 Ų | 79 | 77.8 Ų | 77.8 | 51% | 0.513 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -17.7 | -173.6 | 26 | -34.9 | 0 | 0 | 0 | 113.9 | Y623 | Y623-P627 HydrophobicContact CD2-CB 4.14Å; Y623-P627 HydrophobicContact CE2-CB 3.78Å; Y623-P627 VanDerWaalsContact O-CA 3.29Å; Y623-P627 WeakPolarHBondContact O-CA 3.26Å; Y623-P627 VanDerWaalsContact O-CD 3.3Å; Y623-P627 WeakPolarHBondContact O-CD 3.35Å |
| 628 | E | 86.5 | Confident | 92 | Very high | 198 Ų | 198 | 77.3 Ų | 77.3 | 93% | 0.925 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -14.8 | 175.1 | -60.2 | -173.4 | -175.2 | 0 | 0 | 113.5 | H626 | H626-E628 PolarHBondContact O-N 3.31Å; H626-E628 VanDerWaalsContact O-N 3.14Å |
| 629 | Q | 87 | Confident | 91.9 | Very high | 147 Ų | 147 | 75 Ų | 75 | 69% | 0.687 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.7 | -28.2 | -174.4 | -65.9 | -177.2 | 11.1 | 0 | 0 | 113.7 | H626 | H626-Q629 HydrophobicContact CB-CB 4.27Å; H626-Q629 PolarHBondContact O-N 3.37Å |
| 630 | Y | 86.6 | Confident | 91.9 | Very high | 105 Ų | 105 | 71.1 Ų | 71.1 | 41% | 0.412 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -119.3 | 147.2 | -178.7 | -62.2 | -85.3 | 0 | 0 | 0 | 109.6 | M622 Y623 H626 | M622-Y630 HydrophobicContact CB-CD1 4.14Å; M622-Y630 HydrophobicContact CB-CD2 3.98Å; M622-Y630 HydrophobicContact CB-CE1 4.38Å; M622-Y630 HydrophobicContact CB-CE2 4.23Å; M622-Y630 HydrophobicContact CB-CG 3.93Å; Y623-Y630 VanDerWaalsContact CD2-O 3.29Å; Y623-Y630 WeakPolarHBondContact CD2-O 3.41Å; H626-Y630 HydrophobicContact CB-CD2 3.94Å; H626-Y630 HydrophobicContact CB-CE2 4.16Å; H626-Y630 PolarHBondContact O-N 3.1Å |
| 631 | E | 88.5 | Confident | 92.1 | Very high | 164 Ų | 164 | 70.4 Ų | 70.4 | 77% | 0.766 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -86 | 146.6 | 171.7 | -66.4 | 177.2 | 177.5 | 0 | 0 | 109.8 | Q619 | Q619-E631 PolarHBondContact NE2-O 2.75Š|
| 632 | A | 89.6 | Confident | 92.3 | Very high | 57 Ų | 57 | 66.3 Ų | 66.3 | 47% | 0.471 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 132.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y623 | Y623-A632 HydrophobicContact CD1-CB 3.96Å; Y623-A632 HydrophobicContact CD2-CB 4.18Å; Y623-A632 HydrophobicContact CE1-CB 3.85Å; Y623-A632 HydrophobicContact CE2-CB 4.08Å; Y623-A632 HydrophobicContact CG-CB 4.12Å |
| 633 | P | 93.5 | Very high | 92.4 | Very high | 17 Ų | 17 | 62.9 Ų | 62.9 | 11% | 0.11 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 148.8 | 178.2 | 30.2 | -34.6 | 0 | 0 | 0 | 111 | T616 Q619 A620 K635 | T616-P633 HydrophobicContact CG2-CB 4.11Å; T616-P633 HydrophobicContact CG2-CG 4.38Å; Q619-P633 HydrophobicContact CB-CB 4.02Å; Q619-P633 HydrophobicContact CB-CG 4.31Å; Q619-P633 HydrophobicContact CG-CB 3.86Å; Q619-P633 HydrophobicContact CG-CG 4.27Å; A620-P633 HydrophobicContact CB-CG 3.76Å; P633-K635 PolarHBondContact O-N 2.78Å |
| 634 | D | 92.9 | Very high | 92.6 | Very high | 51 Ų | 51 | 58.3 Ų | 58.3 | 27% | 0.273 | 30% | 0.296 | S | S | . | . | trans | -72.9 | 113.6 | 164.6 | -167.1 | -21.1 | 0 | 0 | 0 | 108.7 | K578 D636 F637 | K578-D634 VanDerWaalsContact CE-OD2 3.28Å; K578-D634 WeakPolarHBondContact CE-OD2 3.33Å; K578-D634 IonicContact NZ-OD2 3.28Å; K578-D634 PolarHBondContact NZ-OD2 3.05Å; D634-D636 VanDerWaalsContact C-N 3.29Å; D634-D636 WeakPolarHBondContact OD1-CB 3.19Å; D634-D636 PolarHBondContact OD1-N 3.33Å; D634-D636 VanDerWaalsContact OD1-N 3.13Å; D634-F637 HydrophobicContact CB-CD2 4.03Å; D634-F637 HydrophobicContact CB-CE2 4.16Å | ||
| 635 | K | 95.1 | Very high | 92.9 | Very high | 33 Ų | 33 | 53.1 Ų | 53.1 | 14% | 0.143 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -80.8 | -10.7 | -175 | -68.5 | -167.3 | -175.6 | -168.6 | 0 | 112.6 | T616 P633 F637 M638 I639 D675 M677 V680 | T616-K635 HydrophobicContact CG2-CG 4.33Å; P633-K635 PolarHBondContact O-N 2.78Å; K635-F637 VanDerWaalsContact C-N 3.26Å; K635-F637 PolarHBondContact O-N 2.93Å; K635-M638 HydrophobicContact CB-CE 4.25Å; K635-M638 HydrophobicContact CD-CE 4.07Å; K635-M638 HydrophobicContact CG-CE 4.19Å; K635-M638 WeakPolarHBondContact O-CA 3.36Å; K635-M638 WeakPolarHBondContact O-CB 3.47Å; K635-M638 PolarHBondContact O-N 3.06Å; K635-I639 WeakPolarHBondContact O-CG1 3.33Å; K635-I639 PolarHBondContact O-N 3.19Å; K635-D675 IonicContact NZ-OD1 3.16Å; K635-D675 PolarHBondContact NZ-OD1 3.23Å; K635-D675 IonicContact NZ-OD2 2.66Å; K635-D675 PolarHBondContact NZ-OD2 3.43Å; K635-M677 HydrophobicContact CB-CE 4.3Å; K635-M677 HydrophobicContact CB-SD 3.62Å; K635-M677 HydrophobicContact CD-CB 4.22Å; K635-M677 HydrophobicContact CD-CE 4.3Å; K635-M677 HydrophobicContact CD-SD 3.83Å; K635-M677 HydrophobicContact CG-SD 4.27Å; K635-V680 HydrophobicContact CB-CG2 4.26Å; K635-V680 HydrophobicContact CD-CG2 4.11Å |
| 636 | D | 93.1 | Very high | 93.1 | Very high | 17 Ų | 17 | 47.1 Ų | 47.1 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.1 | -37.3 | 178.1 | -71.1 | 1.6 | 0 | 0 | 0 | 111.8 | F337 H338 F581 D634 M638 I639 V640 | F337-D636 WeakPolarHBondContact CA-OD2 3.41Å; F337-D636 WeakPolarHBondContact CB-OD2 3.45Å; F337-D636 WeakPolarHBondContact CD1-OD2 3.46Å; H338-D636 HydrophobicContact CB-CB 4Å; H338-D636 PolarHBondContact N-OD2 3.09Å; F581-D636 HydrophobicContact CE1-CB 3.98Å; F581-D636 HydrophobicContact CE2-CB 3.96Å; F581-D636 HydrophobicContact CZ-CB 3.58Å; D634-D636 VanDerWaalsContact C-N 3.29Å; D634-D636 WeakPolarHBondContact OD1-CB 3.19Å; D634-D636 PolarHBondContact OD1-N 3.33Å; D634-D636 VanDerWaalsContact OD1-N 3.13Å; D636-M638 PolarHBondContact O-N 3.48Å; D636-I639 PolarHBondContact O-N 3.12Å; D636-I639 VanDerWaalsContact O-N 3.11Å; D636-V640 WeakPolarHBondContact O-CG1 3.33Å; D636-V640 PolarHBondContact O-N 3.42Å |
| 637 | F | 94.8 | Very high | 93.2 | Very high | 19 Ų | 19 | 42.9 Ų | 42.9 | 8% | 0.083 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.4 | -35.9 | 172.8 | -72.2 | -78.8 | 0 | 0 | 0 | 113.3 | D575 E576 D577 K578 L580 F581 D634 K635 A641 | D575-F637 VanDerWaalsContact O-CD1 3.3Å; D575-F637 WeakPolarHBondContact O-CD1 3.45Å; D575-F637 WeakPolarHBondContact O-CE1 3.43Å; E576-F637 VanDerWaalsContact C-CZ 3.49Å; E576-F637 WeakPolarHBondContact O-CZ 3.49Å; D577-F637 WeakPolarHBondContact O-CE1 3.36Å; K578-F637 HydrophobicContact CG-CZ 4.31Å; L580-F637 HydrophobicContact CB-CE1 4.47Å; L580-F637 HydrophobicContact CD1-CD1 4.42Å; L580-F637 HydrophobicContact CD1-CE1 4.19Å; F581-F637 AromaticContact CE1-CD1 3.66Å; F581-F637 HydrophobicContact CE1-CD1 3.66Å; F581-F637 HydrophobicContact CE1-CD2 4Å; F581-F637 AromaticContact CE1-CE1 3.65Å; F581-F637 HydrophobicContact CE1-CE1 3.65Å; F581-F637 HydrophobicContact CE1-CE2 4Å; F581-F637 AromaticContact CE1-CG 3.83Å; F581-F637 HydrophobicContact CE1-CG 3.83Å; F581-F637 AromaticContact CE1-CZ 3.82Å; F581-F637 HydrophobicContact CE1-CZ 3.82Å; F581-F637 HydrophobicContact CZ-CD1 4.47Å; F581-F637 HydrophobicContact CZ-CD2 4.11Å; F581-F637 HydrophobicContact CZ-CE1 4.24Å; F581-F637 AromaticContact CZ-CE2 3.86Å; F581-F637 HydrophobicContact CZ-CE2 3.86Å; F581-F637 HydrophobicContact CZ-CG 4.4Å; F581-F637 AromaticContact CZ-CZ 3.92Å; F581-F637 HydrophobicContact CZ-CZ 3.92Å; D634-F637 HydrophobicContact CB-CD2 4.03Å; D634-F637 HydrophobicContact CB-CE2 4.16Å; K635-F637 VanDerWaalsContact C-N 3.26Å; K635-F637 PolarHBondContact O-N 2.93Å; F637-A641 WeakPolarHBondContact O-CB 3.39Å; F637-A641 PolarHBondContact O-N 2.71Å |
| 638 | M | 96.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -75.9 | -40.6 | 176.9 | 174.3 | 172.3 | 61.2 | 0 | 0 | 110.7 | V613 T616 L617 K635 D636 A641 L642 V680 | V613-M638 HydrophobicContact CB-CG 4.36Å; V613-M638 HydrophobicContact CG1-CG 4.12Å; V613-M638 HydrophobicContact CG1-SD 4.29Å; V613-M638 HydrophobicContact CG2-CG 4.14Å; T616-M638 HydrophobicContact CG2-CB 3.76Å; T616-M638 HydrophobicContact CG2-CE 4.21Å; T616-M638 HydrophobicContact CG2-SD 4.31Å; L617-M638 HydrophobicContact CD1-SD 4.42Å; L617-M638 HydrophobicContact CD2-CE 4.49Å; L617-M638 HydrophobicContact CD2-SD 3.78Å; L617-M638 HydrophobicContact CG-SD 3.74Å; K635-M638 HydrophobicContact CB-CE 4.25Å; K635-M638 HydrophobicContact CD-CE 4.07Å; K635-M638 HydrophobicContact CG-CE 4.19Å; K635-M638 WeakPolarHBondContact O-CA 3.36Å; K635-M638 WeakPolarHBondContact O-CB 3.47Å; K635-M638 PolarHBondContact O-N 3.06Å; D636-M638 PolarHBondContact O-N 3.48Å; M638-A641 PolarHBondContact O-N 3.01Å; M638-L642 HydrophobicContact CG-CD1 4.02Å; M638-L642 HydrophobicContact CG-CG 4.48Å; M638-L642 VanDerWaalsContact O-CG 3.22Å; M638-L642 WeakPolarHBondContact O-CG 3.38Å; M638-L642 PolarHBondContact O-N 2.8Å; M638-V680 HydrophobicContact CE-CB 4.08Å; M638-V680 HydrophobicContact CE-CG1 3.41Å; M638-V680 VanDerWaalsContact CE-CG1 3.41Å; M638-V680 HydrophobicContact CE-CG2 3.45Å; M638-V680 VanDerWaalsContact CE-CG2 3.45Å; M638-V680 HydrophobicContact SD-CG1 4.15Å |
| 639 | I | 95.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.1 | -52.6 | -179.8 | -61.3 | 163.4 | 0 | 0 | 0 | 110.3 | H338 S340 K635 D636 A641 L642 D643 M677 E679 V680 S683 | H338-I639 WeakPolarHBondContact CD2-CG2 3.45Å; S340-I639 WeakPolarHBondContact OG-CG2 3.47Å; K635-I639 WeakPolarHBondContact O-CG1 3.33Å; K635-I639 PolarHBondContact O-N 3.19Å; D636-I639 PolarHBondContact O-N 3.12Å; D636-I639 VanDerWaalsContact O-N 3.11Å; I639-A641 VanDerWaalsContact C-N 3.27Å; I639-A641 PolarHBondContact O-N 3.3Å; I639-L642 WeakPolarHBondContact O-CB 3.26Å; I639-L642 PolarHBondContact O-N 3.23Å; I639-L642 VanDerWaalsContact O-N 3.1Å; I639-D643 PolarHBondContact O-N 3.01Å; I639-M677 HydrophobicContact CD1-SD 4.06Å; I639-E679 HydrophobicContact CD1-CB 3.6Å; I639-E679 HydrophobicContact CG1-CB 4.38Å; I639-V680 HydrophobicContact CD1-CG2 4.1Å; I639-V680 HydrophobicContact CG1-CG2 3.76Å; I639-S683 VanDerWaalsContact CG2-OG 3.31Å; I639-S683 WeakPolarHBondContact CG2-OG 3.37Å |
| 640 | V | 93.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.2 | -36 | 180 | 73.7 | 0 | 0 | 0 | 0 | 112.3 | H338 F581 L584 E585 D636 D643 L644 | H338-V640 HydrophobicContact CB-CB 4.4Å; H338-V640 WeakPolarHBondContact ND1-CB 3.43Å; H338-V640 VanDerWaalsContact ND1-CG2 3.32Å; H338-V640 WeakPolarHBondContact ND1-CG2 3.4Å; F581-V640 HydrophobicContact CD1-CG1 4.05Å; L584-V640 HydrophobicContact CB-CG1 4.49Å; L584-V640 HydrophobicContact CB-CG2 3.38Å; L584-V640 HydrophobicContact CD1-CG1 3.69Å; L584-V640 HydrophobicContact CD1-CG2 4.14Å; L584-V640 HydrophobicContact CG-CG2 4.38Å; E585-V640 HydrophobicContact CG-CG2 4.17Å; D636-V640 WeakPolarHBondContact O-CG1 3.33Å; D636-V640 PolarHBondContact O-N 3.42Å; V640-D643 PolarHBondContact O-N 2.86Å; V640-L644 PolarHBondContact O-N 2.95Å |
| 641 | A | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.9 | -38.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | C609 L612 V613 F637 M638 I639 L645 | C609-A641 HydrophobicContact CB-CB 3.95Å; L612-A641 HydrophobicContact CB-CB 4.04Å; L612-A641 HydrophobicContact CD1-CB 4.25Å; V613-A641 HydrophobicContact CG2-CB 3.9Å; F637-A641 WeakPolarHBondContact O-CB 3.39Å; F637-A641 PolarHBondContact O-N 2.71Å; M638-A641 PolarHBondContact O-N 3.01Å; I639-A641 VanDerWaalsContact C-N 3.27Å; I639-A641 PolarHBondContact O-N 3.3Å; A641-L645 WeakPolarHBondContact O-CB 3.17Å; A641-L645 WeakPolarHBondContact O-CD1 3.49Å; A641-L645 WeakPolarHBondContact O-CG 3.17Å; A641-L645 PolarHBondContact O-N 3.02Å |
| 642 | L | 98.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65.9 | -41.8 | 173.9 | -71.6 | 168.1 | 0 | 0 | 0 | 111.3 | V613 M638 I639 L645 S646 C672 V680 L687 | V613-L642 HydrophobicContact CG2-CD2 4.04Å; V613-L642 HydrophobicContact CG2-CG 3.99Å; M638-L642 HydrophobicContact CG-CD1 4.02Å; M638-L642 HydrophobicContact CG-CG 4.48Å; M638-L642 VanDerWaalsContact O-CG 3.22Å; M638-L642 WeakPolarHBondContact O-CG 3.38Å; M638-L642 PolarHBondContact O-N 2.8Å; I639-L642 WeakPolarHBondContact O-CB 3.26Å; I639-L642 PolarHBondContact O-N 3.23Å; I639-L642 VanDerWaalsContact O-N 3.1Å; L642-L645 PolarHBondContact O-N 3.22Å; L642-S646 PolarHBondContact O-N 2.75Å; L642-C672 HydrophobicContact CD1-CB 4.24Å; L642-V680 HydrophobicContact CD1-CG1 4.42Å; L642-L687 HydrophobicContact CD2-CD2 3.74Å |
| 643 | D | 95.2 | Very high | 95.5 | Very high | 8 Ų | 8 | 12.7 Ų | 12.7 | 4% | 0.043 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -66.1 | -40.8 | 179.4 | -72.9 | -15.8 | 0 | 0 | 0 | 111.8 | H338 R341 S588 I639 V640 S646 G647 S683 | H338-D643 IonicContact CD2-OD2 3.63Å; H338-D643 IonicContact CE1-OD2 3.57Å; H338-D643 IonicContact NE2-OD2 3.67Å; H338-D643 PolarHBondContact NE2-OD2 3.05Å; R341-D643 HydrophobicContact CB-CB 4.25Å; R341-D643 VanDerWaalsContact CB-CG 3.48Å; R341-D643 WeakPolarHBondContact CB-OD1 3.43Å; R341-D643 PolarHBondContact N-OD2 2.83Å; S588-D643 PolarHBondContact OG-O 3.49Å; I639-D643 PolarHBondContact O-N 3.01Å; V640-D643 PolarHBondContact O-N 2.86Å; D643-S646 WeakPolarHBondContact O-CB 3.38Å; D643-S646 PolarHBondContact O-N 3.25Å; D643-G647 PolarHBondContact O-N 2.84Å; D643-S683 VanDerWaalsContact CG-OG 3.26Å; D643-S683 WeakPolarHBondContact OD1-CB 3.3Å; D643-S683 PolarHBondContact OD1-OG 3.3Å; D643-S683 PolarHBondContact OD2-OG 3Å |
| 644 | L | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -67 | -38.8 | 172.7 | 174.5 | 60.7 | 0 | 0 | 0 | 112.5 | L584 L587 V605 C609 V640 S646 G647 L648 | L584-L644 HydrophobicContact CD2-CD2 3.32Å; L584-L644 HydrophobicContact CG-CD2 4.46Å; L587-L644 HydrophobicContact CB-CD1 4.08Å; V605-L644 HydrophobicContact CG1-CD1 4.3Å; V605-L644 HydrophobicContact CG1-CD2 3.44Å; V605-L644 VanDerWaalsContact CG1-CD2 3.44Å; V605-L644 HydrophobicContact CG1-CG 4.1Å; C609-L644 WeakPolarHBondContact SG-CD2 3.45Å; V640-L644 PolarHBondContact O-N 2.95Å; L644-S646 PolarHBondContact O-N 2.81Å; L644-G647 PolarHBondContact O-N 3.28Å; L644-L648 HydrophobicContact CD1-CG 4.33Å; L644-L648 WeakPolarHBondContact O-CG 3.29Å; L644-L648 PolarHBondContact O-N 3.31Å |
| 645 | L | 98.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61 | -35.9 | 173.1 | -74.6 | 167.4 | 0 | 0 | 0 | 111.2 | Y606 C609 V610 A641 L642 L648 A649 I665 L687 | Y606-L645 HydrophobicContact CD2-CD2 3.34Å; Y606-L645 HydrophobicContact CE2-CD2 3.5Å; Y606-L645 HydrophobicContact CG-CD2 3.92Å; C609-L645 HydrophobicContact CB-CD1 3.84Å; C609-L645 HydrophobicContact CB-CD2 3.88Å; C609-L645 HydrophobicContact CB-CG 3.58Å; V610-L645 HydrophobicContact CG2-CD1 4.24Å; V610-L645 HydrophobicContact CG2-CD2 4.25Å; A641-L645 WeakPolarHBondContact O-CB 3.17Å; A641-L645 WeakPolarHBondContact O-CD1 3.49Å; A641-L645 WeakPolarHBondContact O-CG 3.17Å; A641-L645 PolarHBondContact O-N 3.02Å; L642-L645 PolarHBondContact O-N 3.22Å; L645-L648 HydrophobicContact CD2-CD1 4.5Å; L645-L648 PolarHBondContact O-N 3.39Å; L645-A649 WeakPolarHBondContact O-CB 3.29Å; L645-A649 PolarHBondContact O-N 3.06Å; L645-I665 HydrophobicContact CD1-CD1 3.92Å; L645-L687 HydrophobicContact CB-CD1 3.79Å; L645-L687 HydrophobicContact CB-CD2 3.9Å; L645-L687 HydrophobicContact CD1-CD2 4.24Å |
| 646 | S | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.8 | -48.8 | 173.7 | 159.4 | 0 | 0 | 0 | 0 | 110.3 | R341 L642 D643 L644 L648 A649 E650 D690 | R341-S646 PolarHBondContact NH1-OG 3.31Å; L642-S646 PolarHBondContact O-N 2.75Å; D643-S646 WeakPolarHBondContact O-CB 3.38Å; D643-S646 PolarHBondContact O-N 3.25Å; L644-S646 PolarHBondContact O-N 2.81Å; S646-L648 VanDerWaalsContact C-N 3.33Å; S646-L648 PolarHBondContact O-N 3.06Å; S646-A649 PolarHBondContact O-N 2.99Å; S646-A649 VanDerWaalsContact O-N 3.13Å; S646-E650 WeakPolarHBondContact O-CB 3.22Å; S646-E650 PolarHBondContact O-N 2.96Å; S646-D690 PolarHBondContact OG-OD2 3.47Å |
| 647 | G | 94.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.6 | -39.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | T592 D643 L644 E650 G651 | T592-G647 PolarHBondContact OG1-O 3.33Å; D643-G647 PolarHBondContact O-N 2.84Å; L644-G647 PolarHBondContact O-N 3.28Å; G647-E650 PolarHBondContact O-N 3.23Å; G647-G651 PolarHBondContact O-N 2.79Å |
| 648 | L | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.2 | -44.4 | 173.2 | -73.8 | 174.9 | 0 | 0 | 0 | 112.4 | A591 F598 C602 V605 Y606 L644 L645 S646 E650 L652 | A591-L648 HydrophobicContact CB-CD2 3.93Å; F598-L648 HydrophobicContact CD1-CD2 3.65Å; F598-L648 HydrophobicContact CE1-CD2 3.55Å; C602-L648 HydrophobicContact CB-CD2 4.3Å; V605-L648 HydrophobicContact CG1-CD1 3.99Å; Y606-L648 HydrophobicContact CD2-CD1 4.28Å; L644-L648 HydrophobicContact CD1-CG 4.33Å; L644-L648 WeakPolarHBondContact O-CG 3.29Å; L644-L648 PolarHBondContact O-N 3.31Å; L645-L648 HydrophobicContact CD2-CD1 4.5Å; L645-L648 PolarHBondContact O-N 3.39Å; S646-L648 VanDerWaalsContact C-N 3.33Å; S646-L648 PolarHBondContact O-N 3.06Å; L648-E650 VanDerWaalsContact C-N 3.32Å; L648-L652 HydrophobicContact CB-CD1 4.45Å; L648-L652 HydrophobicContact CD2-CD1 4.2Å; L648-L652 WeakPolarHBondContact O-CB 3.2Å; L648-L652 VanDerWaalsContact O-CG 3.27Å; L648-L652 WeakPolarHBondContact O-CG 3.43Å; L648-L652 PolarHBondContact O-N 3.13Å |
| 649 | A | 97.2 | Very high | 96 | Very high | 2 Ų | 2 | 24 Ų | 24 | 2% | 0.017 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65 | -38.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L645 S646 G653 V656 D690 L691 | L645-A649 WeakPolarHBondContact O-CB 3.29Å; L645-A649 PolarHBondContact O-N 3.06Å; S646-A649 PolarHBondContact O-N 2.99Å; S646-A649 VanDerWaalsContact O-N 3.13Å; A649-G653 WeakPolarHBondContact O-CA 3.29Å; A649-G653 PolarHBondContact O-N 3.15Å; A649-G653 VanDerWaalsContact O-N 3.12Å; A649-V656 HydrophobicContact CB-CG1 4.47Å; A649-D690 HydrophobicContact CB-CB 3.79Å; A649-L691 HydrophobicContact CB-CD2 3.82Å; A649-L691 HydrophobicContact CB-CG 4.36Å |
| 650 | E | 94 | Very high | 96.1 | Very high | 76 Ų | 76 | 24.2 Ų | 24.2 | 36% | 0.355 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -67 | -52.5 | 175.5 | -173.2 | 177 | 178 | 0 | 0 | 112.1 | R341 T592 S646 G647 L648 | R341-E650 IonicContact CZ-OE2 3.72Å; R341-E650 VanDerWaalsContact CZ-OE2 3.28Å; R341-E650 IonicContact NH1-OE2 3.01Å; R341-E650 PolarHBondContact NH1-OE2 3.07Å; R341-E650 IonicContact NH2-OE1 3.71Å; R341-E650 IonicContact NH2-OE2 2.84Å; R341-E650 PolarHBondContact NH2-OE2 2.66Å; T592-E650 HydrophobicContact CG2-CG 4.16Å; S646-E650 WeakPolarHBondContact O-CB 3.22Å; S646-E650 PolarHBondContact O-N 2.96Å; G647-E650 PolarHBondContact O-N 3.23Å; L648-E650 VanDerWaalsContact C-N 3.32Å |
| 651 | G | 93 | Very high | 96.3 | Very high | 10 Ų | 10 | 26.8 Ų | 26.8 | 10% | 0.103 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.9 | -46.2 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q595 G647 | Q595-G651 CarbonylContact C-O 3.39Å; Q595-G651 WeakPolarHBondContact CA-O 3.25Å; Q595-G651 WeakPolarHBondContact CB-O 3.39Å; G647-G651 PolarHBondContact O-N 2.79Å |
| 652 | L | 96.1 | Very high | 96.2 | Very high | 6 Ų | 6 | 36 Ų | 36 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -78.9 | -22.8 | -177.6 | -59.5 | 176.7 | 0 | 0 | 0 | 112.6 | Q595 F598 L599 C602 L648 G654 H655 V656 | Q595-L652 WeakPolarHBondContact O-CD2 3.49Å; F598-L652 HydrophobicContact CB-CD2 4.25Å; L599-L652 HydrophobicContact CD2-CD2 3.83Å; L599-L652 HydrophobicContact CG-CD2 4.05Å; C602-L652 HydrophobicContact CB-CD1 3.56Å; L648-L652 HydrophobicContact CB-CD1 4.45Å; L648-L652 HydrophobicContact CD2-CD1 4.2Å; L648-L652 WeakPolarHBondContact O-CB 3.2Å; L648-L652 VanDerWaalsContact O-CG 3.27Å; L648-L652 WeakPolarHBondContact O-CG 3.43Å; L648-L652 PolarHBondContact O-N 3.13Å; L652-G654 PolarHBondContact O-N 3.49Å; L652-H655 HydrophobicContact CB-CB 4.3Å; L652-H655 PolarHBondContact O-N 3.17Å; L652-H655 PolarHBondContact O-ND1 2.79Å; L652-V656 HydrophobicContact CB-CB 4.41Å |
| 653 | G | 94.7 | Very high | 96.1 | Very high | 22 Ų | 22 | 37.5 Ų | 37.5 | 23% | 0.227 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | 51.6 | -131.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A649 H655 V656 | A649-G653 WeakPolarHBondContact O-CA 3.29Å; A649-G653 PolarHBondContact O-N 3.15Å; A649-G653 VanDerWaalsContact O-N 3.12Å; G653-H655 PolarHBondContact O-N 2.93Å; G653-V656 VanDerWaalsContact O-CG1 3.29Å; G653-V656 WeakPolarHBondContact O-CG1 3.41Å; G653-V656 PolarHBondContact O-N 3.38Å |
| 654 | G | 94.2 | Very high | 96.2 | Very high | 49 Ų | 49 | 40 Ų | 40 | 51% | 0.505 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -58.2 | -15.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | L652 V656 E657 A694 | L652-G654 PolarHBondContact O-N 3.49Å; G654-V656 PolarHBondContact O-N 2.84Å; G654-E657 VanDerWaalsContact O-CB 3.29Å; G654-E657 WeakPolarHBondContact O-CB 3.49Å; G654-E657 PolarHBondContact O-N 3.3Å; G654-A694 WeakPolarHBondContact CA-O 3.4Å |
| 655 | H | 96 | Very high | 96.2 | Very high | 113 Ų | 113 | 40 Ų | 40 | 52% | 0.523 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -70.7 | -19.1 | 176.2 | -58.8 | 87.1 | 0 | 0 | 0 | 113.2 | L599 L652 G653 E657 | L599-H655 HydrophobicContact CD2-CB 3.71Å; L652-H655 HydrophobicContact CB-CB 4.3Å; L652-H655 PolarHBondContact O-N 3.17Å; L652-H655 PolarHBondContact O-ND1 2.79Å; G653-H655 PolarHBondContact O-N 2.93Å; H655-E657 PolarHBondContact O-N 2.91Å |
| 656 | V | 96.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -70.3 | -17 | 176.8 | 82 | 0 | 0 | 0 | 0 | 112.6 | Y606 A649 L652 G653 G654 Q658 L659 V660 L691 A694 | Y606-V656 HydrophobicContact CD2-CG2 4.29Å; Y606-V656 HydrophobicContact CE2-CG2 4.11Å; A649-V656 HydrophobicContact CB-CG1 4.47Å; L652-V656 HydrophobicContact CB-CB 4.41Å; G653-V656 VanDerWaalsContact O-CG1 3.29Å; G653-V656 WeakPolarHBondContact O-CG1 3.41Å; G653-V656 PolarHBondContact O-N 3.38Å; G654-V656 PolarHBondContact O-N 2.84Å; V656-Q658 VanDerWaalsContact C-N 3.29Å; V656-Q658 PolarHBondContact O-N 3.01Å; V656-Q658 VanDerWaalsContact O-N 3.17Å; V656-L659 HydrophobicContact CG2-CD1 4.45Å; V656-L659 WeakPolarHBondContact O-CB 3.38Å; V656-L659 PolarHBondContact O-N 2.69Å; V656-V660 HydrophobicContact CG1-CG2 4.22Å; V656-V660 HydrophobicContact CG2-CG2 4.25Å; V656-V660 PolarHBondContact O-N 2.72Å; V656-L691 HydrophobicContact CG1-CD2 4.33Å; V656-A694 HydrophobicContact CG1-CB 3.83Å |
| 657 | E | 96.9 | Very high | 96.2 | Very high | 66 Ų | 66 | 45.5 Ų | 45.5 | 31% | 0.308 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -52 | -43.5 | -173.5 | -177 | -78.3 | 150.4 | 0 | 0 | 113 | G654 H655 L659 V660 A661 C695 H698 | G654-E657 VanDerWaalsContact O-CB 3.29Å; G654-E657 WeakPolarHBondContact O-CB 3.49Å; G654-E657 PolarHBondContact O-N 3.3Å; H655-E657 PolarHBondContact O-N 2.91Å; E657-L659 VanDerWaalsContact C-N 3.3Å; E657-L659 PolarHBondContact O-N 2.8Å; E657-V660 PolarHBondContact O-N 3.06Å; E657-A661 WeakPolarHBondContact O-CB 3.17Å; E657-A661 PolarHBondContact O-N 2.71Å; E657-C695 HydrophobicContact CB-CB 3.93Å; E657-C695 HydrophobicContact CG-CB 4.03Å; E657-H698 IonicContact OE1-CD2 2.89Å; E657-H698 IonicContact OE1-CE1 2.7Å; E657-H698 PolarHBondContact OE1-CE1 3.08Å; E657-H698 IonicContact OE1-NE2 3.09Å; E657-H698 PolarHBondContact OE1-NE2 3.46Å |
| 658 | Q | 95.8 | Very high | 96.4 | Very high | 121 Ų | 121 | 45.9 Ų | 45.9 | 57% | 0.565 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -67.4 | -32 | -178.1 | -66.5 | -171.6 | 5.2 | 0 | 0 | 112.8 | V656 R662 | V656-Q658 VanDerWaalsContact C-N 3.29Å; V656-Q658 PolarHBondContact O-N 3.01Å; V656-Q658 VanDerWaalsContact O-N 3.17Å; Q658-R662 WeakPolarHBondContact O-CG 2.84Å; Q658-R662 PolarHBondContact O-N 3.44Å |
| 659 | L | 97.4 | Very high | 96.4 | Very high | 26 Ų | 26 | 45.9 Ų | 45.9 | 14% | 0.136 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -72.2 | -44.3 | 176.5 | -61.3 | 173.5 | 0 | 0 | 0 | 109.9 | C602 E603 Y606 V656 E657 R662 S663 | C602-L659 HydrophobicContact CB-CD1 4.45Å; E603-L659 HydrophobicContact CB-CD2 4.19Å; E603-L659 HydrophobicContact CG-CD2 4.04Å; Y606-L659 HydrophobicContact CD1-CB 3.89Å; Y606-L659 HydrophobicContact CD2-CB 4.13Å; Y606-L659 HydrophobicContact CD2-CD1 4.14Å; Y606-L659 HydrophobicContact CE1-CB 3.92Å; Y606-L659 HydrophobicContact CE2-CB 4.15Å; Y606-L659 HydrophobicContact CG-CB 4.02Å; Y606-L659 HydrophobicContact CG-CD1 3.98Å; V656-L659 HydrophobicContact CG2-CD1 4.45Å; V656-L659 WeakPolarHBondContact O-CB 3.38Å; V656-L659 PolarHBondContact O-N 2.69Å; E657-L659 VanDerWaalsContact C-N 3.3Å; E657-L659 PolarHBondContact O-N 2.8Å; L659-R662 PolarHBondContact O-N 3.35Å; L659-S663 WeakPolarHBondContact O-CB 3.11Å; L659-S663 PolarHBondContact O-N 2.84Å; L659-S663 PolarHBondContact O-OG 3.14Å |
| 660 | V | 97.6 | Very high | 96.5 | Very high | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.03 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.7 | -49.5 | 176.3 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | Y606 V656 E657 R662 S663 I665 L691 H698 | Y606-V660 HydrophobicContact CE2-CG2 4.38Å; Y606-V660 WeakPolarHBondContact OH-CA 3.18Å; V656-V660 HydrophobicContact CG1-CG2 4.22Å; V656-V660 HydrophobicContact CG2-CG2 4.25Å; V656-V660 PolarHBondContact O-N 2.72Å; E657-V660 PolarHBondContact O-N 3.06Å; V660-R662 PolarHBondContact O-N 3.23Å; V660-R662 VanDerWaalsContact O-N 3.12Å; V660-S663 PolarHBondContact O-N 2.81Å; V660-S663 PolarHBondContact O-OG 3.04Å; V660-I665 HydrophobicContact CG1-CG2 4.02Å; V660-L691 HydrophobicContact CG2-CD2 3.72Å; V660-H698 HydrophobicContact CG1-CB 3.98Å |
| 661 | A | 96.9 | Very high | 96.7 | Very high | 55 Ų | 55 | 48.6 Ų | 48.6 | 46% | 0.455 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.7 | -26.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E657 | E657-A661 WeakPolarHBondContact O-CB 3.17Å; E657-A661 PolarHBondContact O-N 2.71Å |
| 662 | R | 96.4 | Very high | 96.9 | Very high | 194 Ų | 194 | 48.1 Ų | 48.1 | 73% | 0.732 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | 4.1 | -179.5 | -65.9 | 177.2 | -173.7 | 174.6 | 7.1 | 113.5 | Q658 L659 V660 | Q658-R662 WeakPolarHBondContact O-CG 2.84Å; Q658-R662 PolarHBondContact O-N 3.44Å; L659-R662 PolarHBondContact O-N 3.35Å; V660-R662 PolarHBondContact O-N 3.23Å; V660-R662 VanDerWaalsContact O-N 3.12Å |
| 663 | S | 96.9 | Very high | 97 | Very high | 31 Ų | 31 | 47.9 Ų | 47.9 | 22% | 0.217 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -119.3 | 168 | -175.1 | 74 | 0 | 0 | 0 | 0 | 112.4 | Y606 L659 V660 I665 | Y606-S663 PolarHBondContact OH-OG 3.42Å; L659-S663 WeakPolarHBondContact O-CB 3.11Å; L659-S663 PolarHBondContact O-N 2.84Å; L659-S663 PolarHBondContact O-OG 3.14Å; V660-S663 PolarHBondContact O-N 2.81Å; V660-S663 PolarHBondContact O-OG 3.04Å; S663-I665 WeakPolarHBondContact OG-CG2 3.43Å |
| 664 | N | 96.8 | Very high | 97.1 | Very high | 61 Ų | 61 | 52 Ų | 52 | 33% | 0.326 | 27% | 0.269 | S | S | . | . | trans | -97.4 | 19.6 | 173.8 | 60.2 | -26 | 0 | 0 | 0 | 112.6 | Q614 M666 T667 L668 | Q614-N664 PolarHBondContact OE1-ND2 2.74Å; Q614-N664 VanDerWaalsContact OE1-ND2 3.12Å; N664-M666 VanDerWaalsContact C-N 3.29Å; N664-M666 PolarHBondContact O-N 2.7Å; N664-T667 WeakPolarHBondContact O-CB 3.48Å; N664-T667 PolarHBondContact O-N 3.07Å; N664-L668 PolarHBondContact O-N 2.75Å | ||
| 665 | I | 97.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57.9 | -37.1 | -171.6 | -171.8 | 56 | 0 | 0 | 0 | 113.2 | Y606 V610 L645 V660 S663 T667 L668 L669 L687 | Y606-I665 WeakPolarHBondContact OH-CG2 3.35Å; V610-I665 HydrophobicContact CG2-CD1 4.45Å; L645-I665 HydrophobicContact CD1-CD1 3.92Å; V660-I665 HydrophobicContact CG1-CG2 4.02Å; S663-I665 WeakPolarHBondContact OG-CG2 3.43Å; I665-T667 VanDerWaalsContact C-N 3.28Å; I665-T667 PolarHBondContact O-N 2.96Å; I665-L668 HydrophobicContact CD1-CB 4.49Å; I665-L668 PolarHBondContact O-N 3.47Å; I665-L669 VanDerWaalsContact O-CB 3.29Å; I665-L669 WeakPolarHBondContact O-CB 3.38Å; I665-L669 PolarHBondContact O-N 2.8Å; I665-L687 HydrophobicContact CD1-CD2 4.12Å; I665-L687 HydrophobicContact CG1-CD2 4.31Å |
| 666 | M | 97.6 | Very high | 97.3 | Very high | 27 Ų | 27 | 50.2 Ų | 50.2 | 13% | 0.133 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.5 | -37.7 | 177.5 | -66.3 | -64.7 | 99.7 | 0 | 0 | 112.4 | N664 L669 F670 L691 V699 | N664-M666 VanDerWaalsContact C-N 3.29Å; N664-M666 PolarHBondContact O-N 2.7Å; M666-L669 HydrophobicContact CE-CD2 4.17Å; M666-F670 PolarHBondContact O-N 3.13Å; M666-F670 VanDerWaalsContact O-N 3.15Å; M666-L691 HydrophobicContact CE-CD1 3.39Å; M666-V699 HydrophobicContact SD-CG2 4.19Å |
| 667 | T | 97.5 | Very high | 97.2 | Very high | 89 Ų | 89 | 53.2 Ų | 53.2 | 55% | 0.546 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -70.8 | -40.5 | 176.8 | -51.9 | 0 | 0 | 0 | 0 | 111.6 | N664 I665 L669 F670 Q671 | N664-T667 WeakPolarHBondContact O-CB 3.48Å; N664-T667 PolarHBondContact O-N 3.07Å; I665-T667 VanDerWaalsContact C-N 3.28Å; I665-T667 PolarHBondContact O-N 2.96Å; T667-L669 VanDerWaalsContact C-N 3.34Å; T667-F670 PolarHBondContact O-N 3.28Å; T667-Q671 PolarHBondContact O-N 3.04Å |
| 668 | L | 98.3 | Very high | 97 | Very high | 9 Ų | 9 | 51.4 Ų | 51.4 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.2 | -40.8 | 176.4 | -60 | 178 | 0 | 0 | 0 | 110.7 | V610 V613 Q614 L617 N664 I665 F670 Q671 C672 | V610-L668 HydrophobicContact CG1-CD1 3.88Å; V613-L668 HydrophobicContact CB-CD1 4.46Å; V613-L668 HydrophobicContact CG1-CB 4.07Å; V613-L668 HydrophobicContact CG1-CD1 4.18Å; Q614-L668 HydrophobicContact CB-CD1 4.12Å; Q614-L668 HydrophobicContact CB-CD2 4.18Å; Q614-L668 HydrophobicContact CG-CD2 4.34Å; L617-L668 HydrophobicContact CD1-CB 4.4Å; L617-L668 HydrophobicContact CD1-CD2 4.07Å; N664-L668 PolarHBondContact O-N 2.75Å; I665-L668 HydrophobicContact CD1-CB 4.49Å; I665-L668 PolarHBondContact O-N 3.47Å; L668-F670 VanDerWaalsContact C-N 3.33Å; L668-F670 PolarHBondContact O-N 3.5Å; L668-Q671 WeakPolarHBondContact O-CB 3.46Å; L668-Q671 PolarHBondContact O-N 3.46Å; L668-Q671 VanDerWaalsContact O-N 3.08Å; L668-C672 PolarHBondContact O-N 3.02Å; L668-C672 PolarHBondContact O-SG 2.97Å |
| 669 | L | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.5 | -43.9 | 177.9 | -160.8 | 68.6 | 0 | 0 | 0 | 111.4 | I665 M666 T667 Q671 C672 M673 S684 L687 L688 F706 | I665-L669 VanDerWaalsContact O-CB 3.29Å; I665-L669 WeakPolarHBondContact O-CB 3.38Å; I665-L669 PolarHBondContact O-N 2.8Å; M666-L669 HydrophobicContact CE-CD2 4.17Å; T667-L669 VanDerWaalsContact C-N 3.34Å; L669-Q671 PolarHBondContact O-N 2.82Å; L669-C672 PolarHBondContact O-N 2.93Å; L669-C672 VanDerWaalsContact O-N 3.15Å; L669-M673 HydrophobicContact CG-CG 4.45Å; L669-M673 HydrophobicContact CG-SD 4.14Å; L669-M673 WeakPolarHBondContact O-CG 3.35Å; L669-M673 PolarHBondContact O-N 3.29Å; L669-S684 WeakPolarHBondContact CD1-O 3.25Å; L669-L687 HydrophobicContact CD1-CB 4.27Å; L669-L687 HydrophobicContact CD1-CD2 3.92Å; L669-L687 HydrophobicContact CD1-CG 4.18Å; L669-L688 HydrophobicContact CD2-CB 4Å; L669-L688 HydrophobicContact CD2-CD1 3.95Å; L669-F706 HydrophobicContact CD2-CE2 4.2Å |
| 670 | F | 98.2 | Very high | 96.8 | Very high | 66 Ų | 66 | 48.2 Ų | 48.2 | 29% | 0.289 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -54.9 | -39.7 | 174.6 | -178.6 | -108.3 | 0 | 0 | 0 | 112.6 | M666 T667 L668 Q674 E705 F706 I709 | M666-F670 PolarHBondContact O-N 3.13Å; M666-F670 VanDerWaalsContact O-N 3.15Å; T667-F670 PolarHBondContact O-N 3.28Å; L668-F670 VanDerWaalsContact C-N 3.33Å; L668-F670 PolarHBondContact O-N 3.5Å; F670-Q674 PolarHBondContact O-NE2 3.07Å; F670-E705 HydrophobicContact CE2-CB 4.1Å; F670-F706 HydrophobicContact CB-CE1 3.89Å; F670-F706 HydrophobicContact CD2-CD1 4.06Å; F670-F706 AromaticContact CD2-CE1 3.78Å; F670-F706 HydrophobicContact CD2-CE1 3.78Å; F670-F706 HydrophobicContact CG-CE1 4.31Å; F670-I709 HydrophobicContact CD2-CD1 3.92Å; F670-I709 HydrophobicContact CE2-CD1 3.67Å |
| 671 | Q | 98.1 | Very high | 96.8 | Very high | 69 Ų | 69 | 49.2 Ų | 49.2 | 32% | 0.322 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -72.4 | -44.2 | 176.8 | -63.9 | -177.5 | -0.4 | 0 | 0 | 111.6 | L617 M621 T667 L668 L669 M673 Q674 D675 | L617-Q671 HydrophobicContact CD1-CB 4.14Å; L617-Q671 HydrophobicContact CD2-CB 4.3Å; M621-Q671 VanDerWaalsContact CE-OE1 3.31Å; T667-Q671 PolarHBondContact O-N 3.04Å; L668-Q671 WeakPolarHBondContact O-CB 3.46Å; L668-Q671 PolarHBondContact O-N 3.46Å; L668-Q671 VanDerWaalsContact O-N 3.08Å; L669-Q671 PolarHBondContact O-N 2.82Å; Q671-M673 VanDerWaalsContact C-N 3.34Å; Q671-M673 PolarHBondContact O-N 3.42Å; Q671-Q674 PolarHBondContact O-N 2.86Å; Q671-Q674 VanDerWaalsContact O-N 3.12Å; Q671-D675 PolarHBondContact O-N 3.28Å |
| 672 | C | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.6 | -40.5 | -179.5 | -62 | 0 | 0 | 0 | 0 | 112.3 | L642 L668 L669 Q674 D675 V680 | L642-C672 HydrophobicContact CD1-CB 4.24Å; L668-C672 PolarHBondContact O-N 3.02Å; L668-C672 PolarHBondContact O-SG 2.97Å; L669-C672 PolarHBondContact O-N 2.93Å; L669-C672 VanDerWaalsContact O-N 3.15Å; C672-Q674 PolarHBondContact O-N 3.47Å; C672-Q674 VanDerWaalsContact O-N 3.09Å; C672-D675 WeakPolarHBondContact O-CB 3.2Å; C672-D675 PolarHBondContact O-N 3.25Å; C672-D675 VanDerWaalsContact O-N 3.08Å; C672-V680 HydrophobicContact CB-CG1 3.99Å |
| 673 | M | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -16.7 | 178.3 | -68.1 | 167.4 | 66.8 | 0 | 0 | 113.6 | L669 Q671 R681 S684 F685 L688 F706 I709 L710 | L669-M673 HydrophobicContact CG-CG 4.45Å; L669-M673 HydrophobicContact CG-SD 4.14Å; L669-M673 WeakPolarHBondContact O-CG 3.35Å; L669-M673 PolarHBondContact O-N 3.29Å; Q671-M673 VanDerWaalsContact C-N 3.34Å; Q671-M673 PolarHBondContact O-N 3.42Å; M673-R681 WeakPolarHBondContact O-CD 3.44Å; M673-S684 WeakPolarHBondContact CA-OG 3.33Å; M673-S684 VanDerWaalsContact CG-OG 3.31Å; M673-S684 WeakPolarHBondContact CG-OG 3.48Å; M673-F685 HydrophobicContact CB-CE1 3.81Å; M673-F685 HydrophobicContact CB-CZ 4.38Å; M673-F685 HydrophobicContact CE-CD1 4.07Å; M673-F685 HydrophobicContact CE-CE1 3.62Å; M673-F685 HydrophobicContact CG-CD1 3.94Å; M673-F685 HydrophobicContact CG-CE1 3.61Å; M673-F685 HydrophobicContact SD-CE1 4.39Å; M673-L688 HydrophobicContact CE-CD2 3.87Å; M673-L688 HydrophobicContact SD-CD2 4.19Å; M673-F706 HydrophobicContact CE-CB 3.92Å; M673-F706 HydrophobicContact CE-CD1 4.21Å; M673-F706 HydrophobicContact CE-CD2 4.46Å; M673-F706 HydrophobicContact CE-CG 3.95Å; M673-F706 HydrophobicContact SD-CD1 4.12Å; M673-F706 HydrophobicContact SD-CD2 4.31Å; M673-F706 HydrophobicContact SD-CE1 4.28Å; M673-F706 HydrophobicContact SD-CE2 4.45Å; M673-F706 HydrophobicContact SD-CG 4.14Å; M673-F706 HydrophobicContact SD-CZ 4.43Å; M673-I709 HydrophobicContact CB-CG2 3.92Å; M673-I709 HydrophobicContact CE-CB 4.18Å; M673-I709 HydrophobicContact CE-CG2 4.16Å; M673-I709 WeakPolarHBondContact O-CG2 3.49Å; M673-L710 HydrophobicContact CE-CG 4.24Å |
| 674 | Q | 97.2 | Very high | 96.8 | Very high | 108 Ų | 108 | 36.4 Ų | 36.4 | 51% | 0.505 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 5 | 179.7 | -66.1 | 174.3 | 92.4 | 0 | 0 | 112.7 | F670 Q671 C672 I709 | F670-Q674 PolarHBondContact O-NE2 3.07Å; Q671-Q674 PolarHBondContact O-N 2.86Å; Q671-Q674 VanDerWaalsContact O-N 3.12Å; C672-Q674 PolarHBondContact O-N 3.47Å; C672-Q674 VanDerWaalsContact O-N 3.09Å; Q674-I709 HydrophobicContact CG-CD1 3.86Å; Q674-I709 HydrophobicContact CG-CG1 4.34Å; Q674-I709 HydrophobicContact CG-CG2 4.36Å |
| 675 | D | 97.7 | Very high | 96.8 | Very high | 19 Ų | 19 | 33.5 Ų | 33.5 | 10% | 0.102 | 18% | 0.177 | C | C | . | . | trans | -64.6 | 147.5 | -179.7 | -164.1 | -73.1 | 0 | 0 | 0 | 111.1 | K635 Q671 C672 M677 V680 R681 | K635-D675 IonicContact NZ-OD1 3.16Å; K635-D675 PolarHBondContact NZ-OD1 3.23Å; K635-D675 IonicContact NZ-OD2 2.66Å; K635-D675 PolarHBondContact NZ-OD2 3.43Å; Q671-D675 PolarHBondContact O-N 3.28Å; C672-D675 WeakPolarHBondContact O-CB 3.2Å; C672-D675 PolarHBondContact O-N 3.25Å; C672-D675 VanDerWaalsContact O-N 3.08Å; D675-M677 VanDerWaalsContact C-N 3.27Å; D675-M677 PolarHBondContact O-N 3.39Å; D675-M677 WeakPolarHBondContact OD1-CB 3.24Å; D675-M677 PolarHBondContact OD1-N 3.39Å; D675-V680 HydrophobicContact CB-CB 3.98Å; D675-V680 HydrophobicContact CB-CG1 3.66Å; D675-R681 VanDerWaalsContact O-CD 3.24Å; D675-R681 WeakPolarHBondContact O-CD 3.21Å; D675-R681 WeakPolarHBondContact O-CG 3.43Å; D675-R681 PolarHBondContact O-NH1 3.26Å | ||
| 676 | S | 94.8 | Very high | 96.7 | Very high | 106 Ų | 106 | 33.5 Ų | 33.5 | 74% | 0.741 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -66.2 | -29.7 | 178.3 | 60.3 | 0 | 0 | 0 | 0 | 112.9 | P678 R681 | S676-P678 WeakPolarHBondContact O-CD 3.11Å; S676-R681 VanDerWaalsContact C-NH1 3.29Å; S676-R681 PolarHBondContact O-NH1 3.31Å |
| 677 | M | 94.5 | Very high | 96.7 | Very high | 64 Ų | 64 | 32.3 Ų | 32.3 | 32% | 0.315 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -78.4 | 119.5 | -179.1 | -175.6 | 172.5 | -90 | 0 | 0 | 110.7 | K635 I639 D675 E679 V680 R681 | K635-M677 HydrophobicContact CB-CE 4.3Å; K635-M677 HydrophobicContact CB-SD 3.62Å; K635-M677 HydrophobicContact CD-CB 4.22Å; K635-M677 HydrophobicContact CD-CE 4.3Å; K635-M677 HydrophobicContact CD-SD 3.83Å; K635-M677 HydrophobicContact CG-SD 4.27Å; I639-M677 HydrophobicContact CD1-SD 4.06Å; D675-M677 VanDerWaalsContact C-N 3.27Å; D675-M677 PolarHBondContact O-N 3.39Å; D675-M677 WeakPolarHBondContact OD1-CB 3.24Å; D675-M677 PolarHBondContact OD1-N 3.39Å; M677-E679 VanDerWaalsContact C-N 3.32Å; M677-E679 HydrophobicContact CG-CB 4.2Å; M677-E679 WeakPolarHBondContact CG-OE2 3.38Å; M677-E679 PolarHBondContact O-N 3.23Å; M677-V680 HydrophobicContact CB-CB 4.43Å; M677-V680 HydrophobicContact CB-CG2 3.9Å; M677-V680 HydrophobicContact CG-CG2 4.04Å; M677-V680 PolarHBondContact O-N 2.9Å; M677-V680 HydrophobicContact SD-CG2 3.93Å; M677-R681 PolarHBondContact O-N 3.27Å |
| 678 | P | 93.5 | Very high | 96.7 | Very high | 29 Ų | 29 | 28 Ų | 28 | 19% | 0.188 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -52.4 | -44.2 | -179.8 | -28 | 35.6 | 0 | 0 | 0 | 114.5 | S676 V680 R681 Q682 F718 V721 | S676-P678 WeakPolarHBondContact O-CD 3.11Å; P678-V680 VanDerWaalsContact C-N 3.32Å; P678-V680 PolarHBondContact O-N 2.99Å; P678-R681 WeakPolarHBondContact O-CA 3.2Å; P678-R681 WeakPolarHBondContact O-CB 3.41Å; P678-R681 PolarHBondContact O-N 3.45Å; P678-Q682 PolarHBondContact O-N 3.43Å; P678-F718 HydrophobicContact CB-CD1 3.91Å; P678-F718 HydrophobicContact CB-CE1 4.34Å; P678-F718 HydrophobicContact CG-CD1 3.65Å; P678-F718 HydrophobicContact CG-CE1 3.57Å; P678-F718 HydrophobicContact CG-CZ 4.38Å; P678-V721 HydrophobicContact CB-CG2 3.78Å; P678-V721 VanDerWaalsContact O-CG2 3.26Å; P678-V721 WeakPolarHBondContact O-CG2 3.35Å |
| 679 | E | 92.1 | Very high | 96.6 | Very high | 79 Ų | 79 | 27.6 Ų | 27.6 | 37% | 0.369 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -58.8 | -41.4 | -177.1 | -67.5 | 81.1 | -171.9 | 0 | 0 | 111.6 | S340 I639 M677 R681 Q682 S683 | S340-E679 VanDerWaalsContact OG-C 3.29Å; S340-E679 VanDerWaalsContact OG-CA 3.27Å; S340-E679 WeakPolarHBondContact OG-CA 3.5Å; S340-E679 WeakPolarHBondContact OG-CB 3.33Å; S340-E679 PolarHBondContact OG-O 2.86Å; I639-E679 HydrophobicContact CD1-CB 3.6Å; I639-E679 HydrophobicContact CG1-CB 4.38Å; M677-E679 VanDerWaalsContact C-N 3.32Å; M677-E679 HydrophobicContact CG-CB 4.2Å; M677-E679 WeakPolarHBondContact CG-OE2 3.38Å; M677-E679 PolarHBondContact O-N 3.23Å; E679-R681 PolarHBondContact O-N 3.45Å; E679-Q682 WeakPolarHBondContact O-CB 3.33Å; E679-Q682 PolarHBondContact O-N 2.95Å; E679-S683 PolarHBondContact O-N 3.34Å; E679-S683 PolarHBondContact O-OG 2.72Å |
| 680 | V | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.6 | -44.7 | 174.3 | 178.7 | 0 | 0 | 0 | 0 | 111.1 | K635 M638 I639 L642 C672 D675 M677 P678 S684 | K635-V680 HydrophobicContact CB-CG2 4.26Å; K635-V680 HydrophobicContact CD-CG2 4.11Å; M638-V680 HydrophobicContact CE-CB 4.08Å; M638-V680 HydrophobicContact CE-CG1 3.41Å; M638-V680 VanDerWaalsContact CE-CG1 3.41Å; M638-V680 HydrophobicContact CE-CG2 3.45Å; M638-V680 VanDerWaalsContact CE-CG2 3.45Å; M638-V680 HydrophobicContact SD-CG1 4.15Å; I639-V680 HydrophobicContact CD1-CG2 4.1Å; I639-V680 HydrophobicContact CG1-CG2 3.76Å; L642-V680 HydrophobicContact CD1-CG1 4.42Å; C672-V680 HydrophobicContact CB-CG1 3.99Å; D675-V680 HydrophobicContact CB-CB 3.98Å; D675-V680 HydrophobicContact CB-CG1 3.66Å; M677-V680 HydrophobicContact CB-CB 4.43Å; M677-V680 HydrophobicContact CB-CG2 3.9Å; M677-V680 HydrophobicContact CG-CG2 4.04Å; M677-V680 PolarHBondContact O-N 2.9Å; M677-V680 HydrophobicContact SD-CG2 3.93Å; P678-V680 VanDerWaalsContact C-N 3.32Å; P678-V680 PolarHBondContact O-N 2.99Å; V680-S684 WeakPolarHBondContact O-CB 3.37Å; V680-S684 PolarHBondContact O-N 2.87Å; V680-S684 PolarHBondContact O-OG 3.14Å |
| 681 | R | 97.8 | Very high | 96.6 | Very high | 27 Ų | 27 | 24.7 Ų | 24.7 | 10% | 0.102 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.7 | -45.4 | 177.9 | -61.1 | -163.7 | -59.8 | -77.2 | -2.7 | 110.4 | M673 D675 S676 M677 P678 E679 S683 S684 F685 N713 V721 | M673-R681 WeakPolarHBondContact O-CD 3.44Å; D675-R681 VanDerWaalsContact O-CD 3.24Å; D675-R681 WeakPolarHBondContact O-CD 3.21Å; D675-R681 WeakPolarHBondContact O-CG 3.43Å; D675-R681 PolarHBondContact O-NH1 3.26Å; S676-R681 VanDerWaalsContact C-NH1 3.29Å; S676-R681 PolarHBondContact O-NH1 3.31Å; M677-R681 PolarHBondContact O-N 3.27Å; P678-R681 WeakPolarHBondContact O-CA 3.2Å; P678-R681 WeakPolarHBondContact O-CB 3.41Å; P678-R681 PolarHBondContact O-N 3.45Å; E679-R681 PolarHBondContact O-N 3.45Å; R681-S683 PolarHBondContact O-N 3.5Å; R681-S684 WeakPolarHBondContact CA-OG 3.44Å; R681-S684 PolarHBondContact O-N 3.38Å; R681-S684 PolarHBondContact O-OG 3.1Å; R681-F685 HydrophobicContact CB-CE2 3.9Å; R681-F685 HydrophobicContact CB-CZ 4.31Å; R681-F685 WeakPolarHBondContact O-CD2 3.48Å; R681-F685 VanDerWaalsContact O-CG 3.3Å; R681-F685 WeakPolarHBondContact O-CG 3.43Å; R681-F685 PolarHBondContact O-N 3.26Å; R681-N713 WeakPolarHBondContact CD-OD1 3.49Å; R681-N713 PolarHBondContact NE-OD1 3.31Å; R681-V721 HydrophobicContact CB-CG1 4.05Å |
| 682 | Q | 94.1 | Very high | 96.6 | Very high | 11 Ų | 11 | 21.4 Ų | 21.4 | 5% | 0.051 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -53 | -54.7 | 177 | 175.9 | -173.9 | -20.7 | 0 | 0 | 112.1 | S340 R341 T342 P678 E679 S684 F685 A686 V721 N724 | S340-Q682 PolarHBondContact O-NE2 2.68Å; R341-Q682 PolarHBondContact O-NE2 3.46Å; T342-Q682 PolarHBondContact OG1-NE2 2.98Å; P678-Q682 PolarHBondContact O-N 3.43Å; E679-Q682 WeakPolarHBondContact O-CB 3.33Å; E679-Q682 PolarHBondContact O-N 2.95Å; Q682-S684 VanDerWaalsContact C-N 3.33Å; Q682-S684 PolarHBondContact O-N 3.46Å; Q682-F685 PolarHBondContact O-N 3.46Å; Q682-A686 PolarHBondContact O-N 2.83Å; Q682-A686 VanDerWaalsContact O-N 3.16Å; Q682-V721 HydrophobicContact CB-CG2 4.02Å; Q682-N724 VanDerWaalsContact CG-ND2 3.26Å; Q682-N724 WeakPolarHBondContact CG-ND2 3.2Å; Q682-N724 PolarHBondContact O-ND2 2.76Å |
| 683 | S | 95.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.5 | -35.8 | -179.9 | -67.3 | 0 | 0 | 0 | 0 | 112.2 | S340 I639 D643 E679 R681 F685 A686 L687 | S340-S683 PolarHBondContact OG-OG 2.88Å; I639-S683 VanDerWaalsContact CG2-OG 3.31Å; I639-S683 WeakPolarHBondContact CG2-OG 3.37Å; D643-S683 VanDerWaalsContact CG-OG 3.26Å; D643-S683 WeakPolarHBondContact OD1-CB 3.3Å; D643-S683 PolarHBondContact OD1-OG 3.3Å; D643-S683 PolarHBondContact OD2-OG 3Å; E679-S683 PolarHBondContact O-N 3.34Å; E679-S683 PolarHBondContact O-OG 2.72Å; R681-S683 PolarHBondContact O-N 3.5Å; S683-F685 PolarHBondContact O-N 3.09Å; S683-A686 PolarHBondContact O-N 3.47Å; S683-L687 PolarHBondContact O-N 3.06Å |
| 684 | S | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.5 | -36.7 | 175 | 78.4 | 0 | 0 | 0 | 0 | 113 | L669 M673 V680 R681 Q682 L687 L688 | L669-S684 WeakPolarHBondContact CD1-O 3.25Å; M673-S684 WeakPolarHBondContact CA-OG 3.33Å; M673-S684 VanDerWaalsContact CG-OG 3.31Å; M673-S684 WeakPolarHBondContact CG-OG 3.48Å; V680-S684 WeakPolarHBondContact O-CB 3.37Å; V680-S684 PolarHBondContact O-N 2.87Å; V680-S684 PolarHBondContact O-OG 3.14Å; R681-S684 WeakPolarHBondContact CA-OG 3.44Å; R681-S684 PolarHBondContact O-N 3.38Å; R681-S684 PolarHBondContact O-OG 3.1Å; Q682-S684 VanDerWaalsContact C-N 3.33Å; Q682-S684 PolarHBondContact O-N 3.46Å; S684-L687 PolarHBondContact O-N 2.94Å; S684-L688 WeakPolarHBondContact O-CB 3.44Å; S684-L688 PolarHBondContact O-N 2.72Å |
| 685 | F | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -72.3 | -35.3 | 177 | -61.6 | -39.7 | 0 | 0 | 0 | 112.4 | M673 R681 Q682 S683 L688 G689 I709 L710 N713 V721 N724 A725 | M673-F685 HydrophobicContact CB-CE1 3.81Å; M673-F685 HydrophobicContact CB-CZ 4.38Å; M673-F685 HydrophobicContact CE-CD1 4.07Å; M673-F685 HydrophobicContact CE-CE1 3.62Å; M673-F685 HydrophobicContact CG-CD1 3.94Å; M673-F685 HydrophobicContact CG-CE1 3.61Å; M673-F685 HydrophobicContact SD-CE1 4.39Å; R681-F685 HydrophobicContact CB-CE2 3.9Å; R681-F685 HydrophobicContact CB-CZ 4.31Å; R681-F685 WeakPolarHBondContact O-CD2 3.48Å; R681-F685 VanDerWaalsContact O-CG 3.3Å; R681-F685 WeakPolarHBondContact O-CG 3.43Å; R681-F685 PolarHBondContact O-N 3.26Å; Q682-F685 PolarHBondContact O-N 3.46Å; S683-F685 PolarHBondContact O-N 3.09Å; F685-L688 PolarHBondContact O-N 3.03Å; F685-G689 PolarHBondContact O-N 2.94Å; F685-G689 VanDerWaalsContact O-N 3.1Å; F685-I709 HydrophobicContact CE1-CG2 4.43Å; F685-I709 HydrophobicContact CZ-CG2 4.42Å; F685-L710 HydrophobicContact CD1-CD2 3.48Å; F685-L710 VanDerWaalsContact CD1-CD2 3.48Å; F685-L710 HydrophobicContact CE1-CD2 3.72Å; F685-L710 HydrophobicContact CE1-CG 4.45Å; F685-L710 HydrophobicContact CG-CD2 4.1Å; F685-L710 HydrophobicContact CZ-CD2 4.49Å; F685-N713 HydrophobicContact CE2-CB 3.63Å; F685-N713 HydrophobicContact CZ-CB 3.75Å; F685-V721 HydrophobicContact CD2-CG1 3.98Å; F685-V721 HydrophobicContact CE2-CG1 3.58Å; F685-N724 HydrophobicContact CB-CB 3.83Å; F685-A725 HydrophobicContact CD2-CB 3.78Å; F685-A725 HydrophobicContact CE2-CB 4.05Å; F685-A725 HydrophobicContact CG-CB 4.19Å |
| 686 | A | 94.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60 | -51.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V343 Q682 S683 L688 G689 D690 W727 | V343-A686 HydrophobicContact CG2-CB 4.14Å; Q682-A686 PolarHBondContact O-N 2.83Å; Q682-A686 VanDerWaalsContact O-N 3.16Å; S683-A686 PolarHBondContact O-N 3.47Å; A686-L688 VanDerWaalsContact C-N 3.3Å; A686-L688 PolarHBondContact O-N 2.84Å; A686-G689 PolarHBondContact O-N 3.39Å; A686-G689 VanDerWaalsContact O-N 3.17Å; A686-D690 PolarHBondContact O-N 2.82Å; A686-W727 WeakPolarHBondContact O-CZ3 3.48Å |
| 687 | L | 98.2 | Very high | 96.4 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.01 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.4 | -40.7 | 176.6 | 178.2 | 58 | 0 | 0 | 0 | 112.5 | L642 L645 I665 L669 S683 S684 G689 D690 L691 | L642-L687 HydrophobicContact CD2-CD2 3.74Å; L645-L687 HydrophobicContact CB-CD1 3.79Å; L645-L687 HydrophobicContact CB-CD2 3.9Å; L645-L687 HydrophobicContact CD1-CD2 4.24Å; I665-L687 HydrophobicContact CD1-CD2 4.12Å; I665-L687 HydrophobicContact CG1-CD2 4.31Å; L669-L687 HydrophobicContact CD1-CB 4.27Å; L669-L687 HydrophobicContact CD1-CD2 3.92Å; L669-L687 HydrophobicContact CD1-CG 4.18Å; S683-L687 PolarHBondContact O-N 3.06Å; S684-L687 PolarHBondContact O-N 2.94Å; L687-G689 PolarHBondContact O-N 3.07Å; L687-D690 PolarHBondContact O-N 2.89Å; L687-L691 HydrophobicContact CD1-CD1 3.74Å; L687-L691 HydrophobicContact CD1-CD2 4.37Å; L687-L691 HydrophobicContact CD1-CG 3.75Å; L687-L691 HydrophobicContact CD2-CD1 4.49Å; L687-L691 HydrophobicContact CG-CD1 3.83Å; L687-L691 HydrophobicContact CG-CG 4.26Å; L687-L691 WeakPolarHBondContact O-CB 3.22Å; L687-L691 VanDerWaalsContact O-CG 3.3Å; L687-L691 WeakPolarHBondContact O-CG 3.3Å; L687-L691 PolarHBondContact O-N 3.21Å |
| 688 | L | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.8 | -46.3 | 176.8 | 177.8 | 57.6 | 0 | 0 | 0 | 112.1 | L669 M673 S684 F685 A686 T692 V699 F706 L710 I732 | L669-L688 HydrophobicContact CD2-CB 4Å; L669-L688 HydrophobicContact CD2-CD1 3.95Å; M673-L688 HydrophobicContact CE-CD2 3.87Å; M673-L688 HydrophobicContact SD-CD2 4.19Å; S684-L688 WeakPolarHBondContact O-CB 3.44Å; S684-L688 PolarHBondContact O-N 2.72Å; F685-L688 PolarHBondContact O-N 3.03Å; A686-L688 VanDerWaalsContact C-N 3.3Å; A686-L688 PolarHBondContact O-N 2.84Å; L688-T692 VanDerWaalsContact O-CB 3.29Å; L688-T692 WeakPolarHBondContact O-CB 3.44Å; L688-T692 PolarHBondContact O-N 3.07Å; L688-T692 PolarHBondContact O-OG1 3.43Å; L688-V699 HydrophobicContact CD1-CG1 3.66Å; L688-F706 HydrophobicContact CD1-CD2 3.65Å; L688-F706 HydrophobicContact CD1-CE2 3.81Å; L688-F706 HydrophobicContact CD2-CD2 4.03Å; L688-L710 HydrophobicContact CD2-CD1 3.96Å; L688-L710 HydrophobicContact CD2-CD2 4.3Å; L688-L710 HydrophobicContact CD2-CG 4.42Å; L688-I732 HydrophobicContact CD2-CD1 4.16Å; L688-I732 HydrophobicContact CG-CD1 4.38Å |
| 689 | G | 96.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67 | -38.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F685 A686 L687 T692 K693 W727 | F685-G689 PolarHBondContact O-N 2.94Å; F685-G689 VanDerWaalsContact O-N 3.1Å; A686-G689 PolarHBondContact O-N 3.39Å; A686-G689 VanDerWaalsContact O-N 3.17Å; L687-G689 PolarHBondContact O-N 3.07Å; G689-T692 WeakPolarHBondContact O-CB 3.47Å; G689-T692 PolarHBondContact O-N 3.21Å; G689-K693 PolarHBondContact O-N 3.27Å; G689-W727 VanDerWaalsContact CA-CZ3 3.4Å |
| 690 | D | 96.9 | Very high | 97.1 | Very high | 3 Ų | 3 | 20.7 Ų | 20.7 | 2% | 0.016 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -68 | -42.6 | 176.1 | -71.8 | -43.9 | 0 | 0 | 0 | 112.7 | R341 S646 A649 A686 L687 T692 K693 A694 W727 | R341-D690 IonicContact NH1-OD2 3.55Å; S646-D690 PolarHBondContact OG-OD2 3.47Å; A649-D690 HydrophobicContact CB-CB 3.79Å; A686-D690 PolarHBondContact O-N 2.82Å; L687-D690 PolarHBondContact O-N 2.89Å; D690-T692 PolarHBondContact O-N 3.49Å; D690-K693 PolarHBondContact O-N 2.87Å; D690-K693 WeakPolarHBondContact OD1-CE 3.29Å; D690-K693 IonicContact OD1-NZ 2.83Å; D690-K693 PolarHBondContact OD1-NZ 3.4Å; D690-A694 WeakPolarHBondContact O-CB 3.14Å; D690-A694 PolarHBondContact O-N 3.15Å; D690-W727 WeakPolarHBondContact OD1-CH2 3.37Å |
| 691 | L | 98.3 | Very high | 97.1 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.3 | -30.5 | 174 | -69.1 | 178 | 0 | 0 | 0 | 112.4 | A649 V656 V660 M666 L687 A694 C695 V699 | A649-L691 HydrophobicContact CB-CD2 3.82Å; A649-L691 HydrophobicContact CB-CG 4.36Å; V656-L691 HydrophobicContact CG1-CD2 4.33Å; V660-L691 HydrophobicContact CG2-CD2 3.72Å; M666-L691 HydrophobicContact CE-CD1 3.39Å; L687-L691 HydrophobicContact CD1-CD1 3.74Å; L687-L691 HydrophobicContact CD1-CD2 4.37Å; L687-L691 HydrophobicContact CD1-CG 3.75Å; L687-L691 HydrophobicContact CD2-CD1 4.49Å; L687-L691 HydrophobicContact CG-CD1 3.83Å; L687-L691 HydrophobicContact CG-CG 4.26Å; L687-L691 WeakPolarHBondContact O-CB 3.22Å; L687-L691 VanDerWaalsContact O-CG 3.3Å; L687-L691 WeakPolarHBondContact O-CG 3.3Å; L687-L691 PolarHBondContact O-N 3.21Å; L691-A694 PolarHBondContact O-N 3.01Å; L691-C695 CarbonylContact O-C 3.37Å; L691-C695 PolarHBondContact O-N 2.96Å; L691-V699 HydrophobicContact CB-CG2 4.08Å |
| 692 | T | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.2 | -43.9 | 173.1 | -65.3 | 0 | 0 | 0 | 0 | 111.1 | L688 G689 D690 F696 E731 I732 Q735 | L688-T692 VanDerWaalsContact O-CB 3.29Å; L688-T692 WeakPolarHBondContact O-CB 3.44Å; L688-T692 PolarHBondContact O-N 3.07Å; L688-T692 PolarHBondContact O-OG1 3.43Å; G689-T692 WeakPolarHBondContact O-CB 3.47Å; G689-T692 PolarHBondContact O-N 3.21Å; D690-T692 PolarHBondContact O-N 3.49Å; T692-F696 HydrophobicContact CG2-CD2 3.88Å; T692-F696 HydrophobicContact CG2-CE2 4.27Å; T692-F696 WeakPolarHBondContact O-CB 3.44Å; T692-E731 HydrophobicContact CG2-CB 4.07Å; T692-I732 HydrophobicContact CG2-CB 4.38Å; T692-I732 HydrophobicContact CG2-CG1 3.85Å; T692-Q735 HydrophobicContact CG2-CB 4.36Å; T692-Q735 HydrophobicContact CG2-CG 3.74Å |
| 693 | K | 94.5 | Very high | 97.3 | Very high | 80 Ų | 80 | 24.9 Ų | 24.9 | 35% | 0.348 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -66.2 | -43.9 | 173.7 | -71.4 | -179.4 | -67.5 | 173 | 0 | 112.1 | G689 D690 W727 E731 | G689-K693 PolarHBondContact O-N 3.27Å; D690-K693 PolarHBondContact O-N 2.87Å; D690-K693 WeakPolarHBondContact OD1-CE 3.29Å; D690-K693 IonicContact OD1-NZ 2.83Å; D690-K693 PolarHBondContact OD1-NZ 3.4Å; K693-W727 HydrophobicContact CD-CZ2 4.4Å; K693-E731 HydrophobicContact CD-CG 4.34Å; K693-E731 HydrophobicContact CG-CB 4.49Å; K693-E731 HydrophobicContact CG-CG 4.18Å; K693-E731 WeakPolarHBondContact CG-OE2 3.46Å |
| 694 | A | 96.3 | Very high | 97.3 | Very high | 19 Ų | 19 | 27.8 Ų | 27.8 | 16% | 0.157 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -78.1 | -46.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | G654 V656 D690 L691 | G654-A694 WeakPolarHBondContact CA-O 3.4Å; V656-A694 HydrophobicContact CG1-CB 3.83Å; D690-A694 WeakPolarHBondContact O-CB 3.14Å; D690-A694 PolarHBondContact O-N 3.15Å; L691-A694 PolarHBondContact O-N 3.01Å |
| 695 | C | 97.1 | Very high | 97.2 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 5% | 0.047 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -150.3 | 58.3 | -170.2 | 58.3 | 0 | 0 | 0 | 0 | 112.7 | E657 L691 I697 H698 | E657-C695 HydrophobicContact CB-CB 3.93Å; E657-C695 HydrophobicContact CG-CB 4.03Å; L691-C695 CarbonylContact O-C 3.37Å; L691-C695 PolarHBondContact O-N 2.96Å; C695-I697 PolarHBondContact O-N 2.81Å; C695-H698 PolarHBondContact O-N 2.89Å; C695-H698 VanDerWaalsContact O-N 3.08Å |
| 696 | F | 97.9 | Very high | 97.3 | Very high | 26 Ų | 26 | 33.4 Ų | 33.4 | 11% | 0.114 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -52.4 | -25.9 | -177.5 | -172.1 | -121.6 | 0 | 0 | 0 | 115.4 | T692 H698 V699 K700 I703 Q735 M736 | T692-F696 HydrophobicContact CG2-CD2 3.88Å; T692-F696 HydrophobicContact CG2-CE2 4.27Å; T692-F696 WeakPolarHBondContact O-CB 3.44Å; F696-H698 PolarHBondContact O-N 2.76Å; F696-H698 VanDerWaalsContact O-N 3.13Å; F696-V699 HydrophobicContact CD2-CB 4.09Å; F696-V699 HydrophobicContact CE2-CB 4.49Å; F696-V699 PolarHBondContact O-N 3.44Å; F696-K700 HydrophobicContact CD1-CB 4.18Å; F696-K700 HydrophobicContact CE1-CB 3.79Å; F696-K700 HydrophobicContact CE1-CD 3.83Å; F696-K700 HydrophobicContact CE1-CG 3.94Å; F696-K700 HydrophobicContact CE2-CB 4.32Å; F696-K700 HydrophobicContact CZ-CB 3.86Å; F696-K700 HydrophobicContact CZ-CD 4.42Å; F696-K700 HydrophobicContact CZ-CG 4.06Å; F696-K700 WeakPolarHBondContact O-CB 3.41Å; F696-K700 PolarHBondContact O-N 3.3Å; F696-I703 HydrophobicContact CE2-CD1 4.32Å; F696-I703 HydrophobicContact CE2-CG1 4.29Å; F696-I703 HydrophobicContact CZ-CG1 4.48Å; F696-Q735 HydrophobicContact CB-CB 4.31Å; F696-Q735 HydrophobicContact CB-CG 4.19Å; F696-Q735 HydrophobicContact CD1-CB 3.6Å; F696-Q735 HydrophobicContact CD1-CG 4.39Å; F696-Q735 HydrophobicContact CD2-CB 3.7Å; F696-Q735 HydrophobicContact CD2-CG 4.06Å; F696-Q735 HydrophobicContact CE1-CB 3.68Å; F696-Q735 HydrophobicContact CE2-CB 3.8Å; F696-Q735 HydrophobicContact CG-CB 3.59Å; F696-Q735 HydrophobicContact CG-CG 3.96Å; F696-Q735 HydrophobicContact CZ-CB 3.79Å; F696-M736 HydrophobicContact CE1-SD 4.33Å; F696-M736 HydrophobicContact CZ-CG 3.86Å; F696-M736 HydrophobicContact CZ-SD 3.6Å; F696-M736 VanDerWaalsContact CZ-SD 3.6Å |
| 697 | I | 97.3 | Very high | 97.4 | Very high | 125 Ų | 125 | 33.4 Ų | 33.4 | 64% | 0.641 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -53.8 | -33.5 | 177.4 | -169.1 | 166.9 | 0 | 0 | 0 | 113 | C695 P701 | C695-I697 PolarHBondContact O-N 2.81Å; I697-P701 WeakPolarHBondContact O-CD 3.42Å |
| 698 | H | 97.8 | Very high | 97.4 | Very high | 49 Ų | 49 | 36 Ų | 36 | 23% | 0.227 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -87.9 | -24 | 179.1 | -61.3 | -52.2 | 0 | 0 | 0 | 112.9 | E657 V660 C695 F696 | E657-H698 IonicContact OE1-CD2 2.89Å; E657-H698 IonicContact OE1-CE1 2.7Å; E657-H698 PolarHBondContact OE1-CE1 3.08Å; E657-H698 IonicContact OE1-NE2 3.09Å; E657-H698 PolarHBondContact OE1-NE2 3.46Å; V660-H698 HydrophobicContact CG1-CB 3.98Å; C695-H698 PolarHBondContact O-N 2.89Å; C695-H698 VanDerWaalsContact O-N 3.08Å; F696-H698 PolarHBondContact O-N 2.76Å; F696-H698 VanDerWaalsContact O-N 3.13Å |
| 699 | V | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -83.8 | -38.3 | 179 | -174.6 | 0 | 0 | 0 | 0 | 111.4 | M666 L688 L691 F696 P701 C702 I703 | M666-V699 HydrophobicContact SD-CG2 4.19Å; L688-V699 HydrophobicContact CD1-CG1 3.66Å; L691-V699 HydrophobicContact CB-CG2 4.08Å; F696-V699 HydrophobicContact CD2-CB 4.09Å; F696-V699 HydrophobicContact CE2-CB 4.49Å; F696-V699 PolarHBondContact O-N 3.44Å; V699-P701 VanDerWaalsContact C-N 3.33Å; V699-P701 VanDerWaalsContact O-N 3.16Å; V699-C702 PolarHBondContact O-N 3.09Å; V699-I703 HydrophobicContact CG1-CD1 3.83Å; V699-I703 PolarHBondContact O-N 3.17Å |
| 700 | K | 97.6 | Very high | 97.4 | Very high | 84 Ų | 84 | 36.9 Ų | 36.9 | 37% | 0.365 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -48.6 | -43.2 | -176.4 | -173.5 | 171 | -175.4 | 165.6 | 0 | 113.8 | F696 C702 I703 E739 | F696-K700 HydrophobicContact CD1-CB 4.18Å; F696-K700 HydrophobicContact CE1-CB 3.79Å; F696-K700 HydrophobicContact CE1-CD 3.83Å; F696-K700 HydrophobicContact CE1-CG 3.94Å; F696-K700 HydrophobicContact CE2-CB 4.32Å; F696-K700 HydrophobicContact CZ-CB 3.86Å; F696-K700 HydrophobicContact CZ-CD 4.42Å; F696-K700 HydrophobicContact CZ-CG 4.06Å; F696-K700 WeakPolarHBondContact O-CB 3.41Å; F696-K700 PolarHBondContact O-N 3.3Å; K700-C702 PolarHBondContact O-N 2.92Å; K700-I703 PolarHBondContact O-N 3.33Å; K700-E739 VanDerWaalsContact CE-OE2 3.24Å; K700-E739 WeakPolarHBondContact CE-OE2 3.27Å; K700-E739 IonicContact NZ-OE1 3.08Å; K700-E739 PolarHBondContact NZ-OE1 3.2Å; K700-E739 IonicContact NZ-OE2 3.33Å; K700-E739 PolarHBondContact NZ-OE2 3.39Å |
| 701 | P | 98.1 | Very high | 97.3 | Very high | 100 Ų | 100 | 37 Ų | 37 | 65% | 0.649 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -61.7 | -24.7 | 178.2 | -24.2 | 35.9 | 0 | 0 | 0 | 114.8 | I697 V699 | I697-P701 WeakPolarHBondContact O-CD 3.42Å; V699-P701 VanDerWaalsContact C-N 3.33Å; V699-P701 VanDerWaalsContact O-N 3.16Å |
| 702 | C | 97.9 | Very high | 97.1 | Very high | 23 Ų | 23 | 42 Ų | 42 | 16% | 0.155 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -95.4 | -9.7 | -175 | -59.4 | 0 | 0 | 0 | 0 | 113.6 | V699 K700 A704 E705 F706 | V699-C702 PolarHBondContact O-N 3.09Å; K700-C702 PolarHBondContact O-N 2.92Å; C702-A704 VanDerWaalsContact C-N 3.26Å; C702-A704 PolarHBondContact O-N 2.96Å; C702-E705 PolarHBondContact O-N 3.24Å; C702-F706 HydrophobicContact CB-CD1 4.17Å; C702-F706 HydrophobicContact CB-CD2 3.89Å; C702-F706 HydrophobicContact CB-CE1 3.83Å; C702-F706 HydrophobicContact CB-CE2 3.56Å; C702-F706 HydrophobicContact CB-CG 4.2Å; C702-F706 HydrophobicContact CB-CZ 3.53Å; C702-F706 WeakPolarHBondContact O-CG 3.45Å; C702-F706 PolarHBondContact O-N 2.92Å |
| 703 | I | 97.2 | Very high | 97 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.9 | -37.1 | -173.2 | -68.3 | -57.2 | 0 | 0 | 0 | 113.1 | F696 V699 K700 E705 F706 M707 I732 M736 Y743 | F696-I703 HydrophobicContact CE2-CD1 4.32Å; F696-I703 HydrophobicContact CE2-CG1 4.29Å; F696-I703 HydrophobicContact CZ-CG1 4.48Å; V699-I703 HydrophobicContact CG1-CD1 3.83Å; V699-I703 PolarHBondContact O-N 3.17Å; K700-I703 PolarHBondContact O-N 3.33Å; I703-E705 PolarHBondContact O-N 3.48Å; I703-F706 PolarHBondContact O-N 3.1Å; I703-M707 HydrophobicContact CG2-CG 3.71Å; I703-M707 WeakPolarHBondContact O-CB 3.45Å; I703-M707 WeakPolarHBondContact O-CG 3.4Å; I703-M707 PolarHBondContact O-N 2.9Å; I703-I732 HydrophobicContact CD1-CB 4.48Å; I703-I732 HydrophobicContact CD1-CD1 3.87Å; I703-I732 HydrophobicContact CD1-CG1 3.96Å; I703-I732 HydrophobicContact CD1-CG2 3.68Å; I703-I732 HydrophobicContact CG1-CG2 4.42Å; I703-I732 HydrophobicContact CG2-CG2 4.41Å; I703-M736 HydrophobicContact CB-SD 4.43Å; I703-M736 HydrophobicContact CG1-SD 4.17Å; I703-M736 HydrophobicContact CG2-SD 4.02Å; I703-Y743 HydrophobicContact CG2-CE2 4.02Å |
| 704 | A | 96.8 | Very high | 96.8 | Very high | 62 Ų | 62 | 39.7 Ų | 39.7 | 51% | 0.512 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.5 | -30.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | C702 P708 | C702-A704 VanDerWaalsContact C-N 3.26Å; C702-A704 PolarHBondContact O-N 2.96Å; A704-P708 WeakPolarHBondContact O-CD 3.29Å |
| 705 | E | 97.2 | Very high | 96.4 | Very high | 115 Ų | 115 | 41.3 Ų | 41.3 | 54% | 0.537 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -90.3 | -33.1 | 177.3 | -62.9 | -178.5 | 120.7 | 0 | 0 | 111.9 | F670 C702 I703 | F670-E705 HydrophobicContact CE2-CB 4.1Å; C702-E705 PolarHBondContact O-N 3.24Å; I703-E705 PolarHBondContact O-N 3.48Å |
| 706 | F | 98.2 | Very high | 95.6 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.009 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -78 | -38.1 | -176.4 | -70.9 | 2.1 | 0 | 0 | 0 | 113.4 | L669 F670 M673 L688 C702 I703 I709 L710 | L669-F706 HydrophobicContact CD2-CE2 4.2Å; F670-F706 HydrophobicContact CB-CE1 3.89Å; F670-F706 HydrophobicContact CD2-CD1 4.06Å; F670-F706 AromaticContact CD2-CE1 3.78Å; F670-F706 HydrophobicContact CD2-CE1 3.78Å; F670-F706 HydrophobicContact CG-CE1 4.31Å; M673-F706 HydrophobicContact CE-CB 3.92Å; M673-F706 HydrophobicContact CE-CD1 4.21Å; M673-F706 HydrophobicContact CE-CD2 4.46Å; M673-F706 HydrophobicContact CE-CG 3.95Å; M673-F706 HydrophobicContact SD-CD1 4.12Å; M673-F706 HydrophobicContact SD-CD2 4.31Å; M673-F706 HydrophobicContact SD-CE1 4.28Å; M673-F706 HydrophobicContact SD-CE2 4.45Å; M673-F706 HydrophobicContact SD-CG 4.14Å; M673-F706 HydrophobicContact SD-CZ 4.43Å; L688-F706 HydrophobicContact CD1-CD2 3.65Å; L688-F706 HydrophobicContact CD1-CE2 3.81Å; L688-F706 HydrophobicContact CD2-CD2 4.03Å; C702-F706 HydrophobicContact CB-CD1 4.17Å; C702-F706 HydrophobicContact CB-CD2 3.89Å; C702-F706 HydrophobicContact CB-CE1 3.83Å; C702-F706 HydrophobicContact CB-CE2 3.56Å; C702-F706 HydrophobicContact CB-CG 4.2Å; C702-F706 HydrophobicContact CB-CZ 3.53Å; C702-F706 WeakPolarHBondContact O-CG 3.45Å; C702-F706 PolarHBondContact O-N 2.92Å; I703-F706 PolarHBondContact O-N 3.1Å; F706-I709 PolarHBondContact O-N 3.19Å; F706-I709 VanDerWaalsContact O-N 3.11Å; F706-L710 PolarHBondContact O-N 3.5Å |
| 707 | M | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60 | -41.4 | -177.3 | -78.9 | -59.4 | -55.1 | 0 | 0 | 114.1 | I703 I709 L710 G711 I729 I732 M740 Y743 M746 V747 | I703-M707 HydrophobicContact CG2-CG 3.71Å; I703-M707 WeakPolarHBondContact O-CB 3.45Å; I703-M707 WeakPolarHBondContact O-CG 3.4Å; I703-M707 PolarHBondContact O-N 2.9Å; M707-I709 VanDerWaalsContact C-N 3.34Å; M707-I709 PolarHBondContact O-N 2.99Å; M707-L710 PolarHBondContact O-N 3.41Å; M707-L710 HydrophobicContact SD-CD1 3.99Å; M707-G711 PolarHBondContact O-N 3.31Å; M707-I729 HydrophobicContact CE-CG1 4.27Å; M707-I729 HydrophobicContact CE-CG2 4.26Å; M707-I729 HydrophobicContact SD-CG1 4.5Å; M707-I732 HydrophobicContact SD-CD1 4.39Å; M707-I732 HydrophobicContact SD-CG2 4.32Å; M707-M740 HydrophobicContact CE-CE 3.44Å; M707-M740 VanDerWaalsContact CE-CE 3.44Å; M707-M740 HydrophobicContact SD-CE 3.95Å; M707-Y743 HydrophobicContact CB-CD1 3.68Å; M707-Y743 HydrophobicContact CB-CE1 4.11Å; M707-Y743 HydrophobicContact CB-CG 4.14Å; M707-Y743 HydrophobicContact CE-CG 4.49Å; M707-Y743 HydrophobicContact CG-CD1 3.97Å; M707-Y743 HydrophobicContact CG-CD2 4.38Å; M707-Y743 HydrophobicContact CG-CE1 4.36Å; M707-Y743 HydrophobicContact CG-CG 3.97Å; M707-M746 HydrophobicContact CB-CE 3.77Å; M707-V747 HydrophobicContact CE-CG1 3.84Å |
| 708 | P | 97.5 | Very high | 94.4 | Very high | 57 Ų | 57 | 46.1 Ų | 46.1 | 37% | 0.37 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.7 | -41.6 | 171.9 | -26.4 | 35.5 | 0 | 0 | 0 | 113.7 | A704 G711 T712 M746 | A704-P708 WeakPolarHBondContact O-CD 3.29Å; P708-G711 PolarHBondContact O-N 3.3Å; P708-T712 PolarHBondContact O-N 2.92Å; P708-T712 VanDerWaalsContact O-N 3.09Å; P708-M746 HydrophobicContact CB-SD 4.26Å; P708-M746 HydrophobicContact CG-CE 4.47Å; P708-M746 HydrophobicContact CG-SD 4.28Å |
| 709 | I | 98.1 | Very high | 93.6 | Very high | 18 Ų | 18 | 46.1 Ų | 46.1 | 9% | 0.092 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68 | -40.6 | 179.8 | -58.8 | 166 | 0 | 0 | 0 | 110.8 | F670 M673 Q674 F685 F706 M707 G711 T712 N713 | F670-I709 HydrophobicContact CD2-CD1 3.92Å; F670-I709 HydrophobicContact CE2-CD1 3.67Å; M673-I709 HydrophobicContact CB-CG2 3.92Å; M673-I709 HydrophobicContact CE-CB 4.18Å; M673-I709 HydrophobicContact CE-CG2 4.16Å; M673-I709 WeakPolarHBondContact O-CG2 3.49Å; Q674-I709 HydrophobicContact CG-CD1 3.86Å; Q674-I709 HydrophobicContact CG-CG1 4.34Å; Q674-I709 HydrophobicContact CG-CG2 4.36Å; F685-I709 HydrophobicContact CE1-CG2 4.43Å; F685-I709 HydrophobicContact CZ-CG2 4.42Å; F706-I709 PolarHBondContact O-N 3.19Å; F706-I709 VanDerWaalsContact O-N 3.11Å; M707-I709 VanDerWaalsContact C-N 3.34Å; M707-I709 PolarHBondContact O-N 2.99Å; I709-G711 VanDerWaalsContact C-N 3.33Å; I709-T712 PolarHBondContact O-N 3.4Å; I709-T712 PolarHBondContact O-OG1 3.18Å; I709-N713 PolarHBondContact O-N 3.12Å; I709-N713 PolarHBondContact O-ND2 3.15Å |
| 710 | L | 96.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.4 | -44 | 173.6 | -73 | 165.9 | 0 | 0 | 0 | 110.9 | M673 F685 L688 F706 M707 T712 N713 L714 A725 A728 I729 I732 | M673-L710 HydrophobicContact CE-CG 4.24Å; F685-L710 HydrophobicContact CD1-CD2 3.48Å; F685-L710 VanDerWaalsContact CD1-CD2 3.48Å; F685-L710 HydrophobicContact CE1-CD2 3.72Å; F685-L710 HydrophobicContact CE1-CG 4.45Å; F685-L710 HydrophobicContact CG-CD2 4.1Å; F685-L710 HydrophobicContact CZ-CD2 4.49Å; L688-L710 HydrophobicContact CD2-CD1 3.96Å; L688-L710 HydrophobicContact CD2-CD2 4.3Å; L688-L710 HydrophobicContact CD2-CG 4.42Å; F706-L710 PolarHBondContact O-N 3.5Å; M707-L710 PolarHBondContact O-N 3.41Å; M707-L710 HydrophobicContact SD-CD1 3.99Å; L710-T712 VanDerWaalsContact C-N 3.35Å; L710-T712 PolarHBondContact O-N 3.38Å; L710-N713 PolarHBondContact O-N 3.1Å; L710-N713 VanDerWaalsContact O-N 3.12Å; L710-L714 PolarHBondContact O-N 2.93Å; L710-A725 HydrophobicContact CD2-CB 3.94Å; L710-A728 HydrophobicContact CD2-CB 4.2Å; L710-I729 HydrophobicContact CB-CD1 4Å; L710-I729 HydrophobicContact CB-CG1 3.88Å; L710-I729 HydrophobicContact CD1-CG1 3.96Å; L710-I729 HydrophobicContact CG-CG1 4.35Å; L710-I732 HydrophobicContact CD1-CD1 3.69Å |
| 711 | G | 94.4 | Very high | 92.5 | Very high | 6 Ų | 6 | 43.6 Ų | 43.6 | 6% | 0.062 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.3 | -38.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | M707 P708 I709 N713 L714 N750 | M707-G711 PolarHBondContact O-N 3.31Å; P708-G711 PolarHBondContact O-N 3.3Å; I709-G711 VanDerWaalsContact C-N 3.33Å; G711-N713 VanDerWaalsContact C-N 3.32Å; G711-L714 PolarHBondContact O-N 3.14Å; G711-N750 PolarHBondContact O-ND2 2.89Å |
| 712 | T | 95.8 | Very high | 92.1 | Very high | 108 Ų | 108 | 39.1 Ų | 39.1 | 66% | 0.663 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -73.4 | -22.7 | 175.9 | 56.9 | 0 | 0 | 0 | 0 | 113.4 | P708 I709 L710 | P708-T712 PolarHBondContact O-N 2.92Å; P708-T712 VanDerWaalsContact O-N 3.09Å; I709-T712 PolarHBondContact O-N 3.4Å; I709-T712 PolarHBondContact O-OG1 3.18Å; L710-T712 VanDerWaalsContact C-N 3.35Å; L710-T712 PolarHBondContact O-N 3.38Å |
| 713 | N | 94.8 | Very high | 91.6 | Very high | 20 Ų | 20 | 39.1 Ų | 39.1 | 11% | 0.107 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 4.8 | 176.9 | -78.6 | -88.5 | 0 | 0 | 0 | 113.6 | R681 F685 I709 L710 G711 N715 V721 C722 A725 | R681-N713 WeakPolarHBondContact CD-OD1 3.49Å; R681-N713 PolarHBondContact NE-OD1 3.31Å; F685-N713 HydrophobicContact CE2-CB 3.63Å; F685-N713 HydrophobicContact CZ-CB 3.75Å; I709-N713 PolarHBondContact O-N 3.12Å; I709-N713 PolarHBondContact O-ND2 3.15Å; L710-N713 PolarHBondContact O-N 3.1Å; L710-N713 VanDerWaalsContact O-N 3.12Å; G711-N713 VanDerWaalsContact C-N 3.32Å; N713-N715 PolarHBondContact O-N 2.84Å; N713-V721 HydrophobicContact CB-CG1 4.23Å; N713-C722 WeakPolarHBondContact O-CA 3.28Å; N713-A725 HydrophobicContact CB-CB 4.25Å |
| 714 | L | 91.3 | Very high | 91.2 | Very high | 10 Ų | 10 | 39 Ų | 39 | 5% | 0.052 | 22% | 0.217 | C | C | . | . | trans | -74.7 | 49.2 | 163.4 | -62.6 | 179.8 | 0 | 0 | 0 | 111.1 | L710 G711 T726 I729 V747 N750 L751 I754 | L710-L714 PolarHBondContact O-N 2.93Å; G711-L714 PolarHBondContact O-N 3.14Å; L714-T726 WeakPolarHBondContact CD2-OG1 3.32Å; L714-I729 HydrophobicContact CD1-CD1 4.03Å; L714-I729 HydrophobicContact CD2-CD1 3.97Å; L714-I729 HydrophobicContact CG-CD1 4.22Å; L714-V747 HydrophobicContact CD1-CB 3.91Å; L714-V747 HydrophobicContact CD1-CG1 4.15Å; L714-N750 HydrophobicContact CB-CB 3.91Å; L714-N750 HydrophobicContact CD1-CB 3.87Å; L714-L751 HydrophobicContact CD1-CD2 4.15Å; L714-L751 HydrophobicContact CD1-CG 4.14Å; L714-L751 HydrophobicContact CD2-CD2 4.07Å; L714-I754 HydrophobicContact CB-CD1 4.05Å; L714-I754 HydrophobicContact CD2-CD1 4.45Å | ||
| 715 | N | 86.9 | Confident | 91.1 | Very high | 53 Ų | 53 | 36.1 Ų | 36.1 | 28% | 0.283 | 19% | 0.193 | S | C | . | . | trans | -106.9 | 109.9 | 176.8 | 179.4 | 3.2 | 0 | 0 | 0 | 109.2 | N713 E717 F718 C722 | N713-N715 PolarHBondContact O-N 2.84Å; N715-E717 PolarHBondContact ND2-OE2 3.12Å; N715-E717 PolarHBondContact O-N 3.43Å; N715-E717 VanDerWaalsContact O-N 3.11Å; N715-E717 WeakPolarHBondContact OD1-CB 3.39Å; N715-E717 WeakPolarHBondContact OD1-CG 3.48Å; N715-E717 PolarHBondContact OD1-N 3.17Å; N715-F718 PolarHBondContact O-N 2.86Å; N715-F718 VanDerWaalsContact O-N 3.15Å; N715-C722 WeakPolarHBondContact O-CB 3.5Å | ||
| 716 | P | 81.3 | Confident | 90.9 | Very high | 30 Ų | 30 | 30.7 Ų | 30.7 | 20% | 0.195 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 9.4 | -175.9 | 37 | -39.7 | 0 | 0 | 0 | 113.6 | F718 I754 R757 | P716-F718 VanDerWaalsContact C-N 3.32Å; P716-I754 HydrophobicContact CB-CG1 4.38Å; P716-I754 HydrophobicContact CG-CG1 4.34Å; P716-R757 PolarHBondContact O-NH1 3.35Å |
| 717 | E | 84.1 | Confident | 90.6 | Very high | 142 Ų | 142 | 31.2 Ų | 31.2 | 66% | 0.664 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -33.6 | 160.6 | -68.8 | 176.1 | 159 | 0 | 0 | 111.7 | N715 | N715-E717 PolarHBondContact ND2-OE2 3.12Å; N715-E717 PolarHBondContact O-N 3.43Å; N715-E717 VanDerWaalsContact O-N 3.11Å; N715-E717 WeakPolarHBondContact OD1-CB 3.39Å; N715-E717 WeakPolarHBondContact OD1-CG 3.48Å; N715-E717 PolarHBondContact OD1-N 3.17Å |
| 718 | F | 84.6 | Confident | 90.5 | Very high | 88 Ų | 88 | 31.2 Ų | 31.2 | 39% | 0.386 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -110.2 | 83 | 176.1 | -58.5 | -76.5 | 0 | 0 | 0 | 109.4 | P678 N715 P716 S720 V721 C722 | P678-F718 HydrophobicContact CB-CD1 3.91Å; P678-F718 HydrophobicContact CB-CE1 4.34Å; P678-F718 HydrophobicContact CG-CD1 3.65Å; P678-F718 HydrophobicContact CG-CE1 3.57Å; P678-F718 HydrophobicContact CG-CZ 4.38Å; N715-F718 PolarHBondContact O-N 2.86Å; N715-F718 VanDerWaalsContact O-N 3.15Å; P716-F718 VanDerWaalsContact C-N 3.32Å; F718-S720 PolarHBondContact O-N 3.05Å; F718-V721 HydrophobicContact CB-CB 3.91Å; F718-V721 HydrophobicContact CB-CG2 3.86Å; F718-V721 PolarHBondContact O-N 3.16Å; F718-C722 WeakPolarHBondContact O-CB 3.33Å; F718-C722 PolarHBondContact O-N 3.22Å |
| 719 | I | 81.9 | Confident | 90.5 | Very high | 49 Ų | 49 | 28.5 Ų | 28.5 | 25% | 0.251 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -58.5 | -49.4 | -166.6 | -57.2 | 163.5 | 0 | 0 | 0 | 111.9 | V721 C722 N723 P761 L764 | I719-V721 VanDerWaalsContact C-N 3.34Å; I719-V721 PolarHBondContact O-N 3.47Å; I719-C722 PolarHBondContact O-N 2.81Å; I719-N723 VanDerWaalsContact O-CB 3.22Å; I719-N723 WeakPolarHBondContact O-CB 3.14Å; I719-N723 PolarHBondContact O-N 3.46Å; I719-P761 HydrophobicContact CD1-CB 3.9Å; I719-P761 HydrophobicContact CD1-CG 3.49Å; I719-P761 VanDerWaalsContact CD1-CG 3.49Å; I719-L764 HydrophobicContact CB-CD1 3.53Å; I719-L764 HydrophobicContact CG2-CD1 3.4Å |
| 720 | S | 84 | Confident | 90.2 | Very high | 26 Ų | 26 | 27.7 Ų | 27.7 | 18% | 0.182 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63 | -39.5 | -179 | -36.8 | 0 | 0 | 0 | 0 | 112.7 | F718 N723 N724 L764 | F718-S720 PolarHBondContact O-N 3.05Å; S720-N723 WeakPolarHBondContact O-CB 3.3Å; S720-N723 PolarHBondContact O-N 3.21Å; S720-N724 PolarHBondContact O-N 2.93Å; S720-L764 WeakPolarHBondContact OG-CD1 3.33Å; S720-L764 WeakPolarHBondContact OG-CD2 3.47Å |
| 721 | V | 88.7 | Confident | 90.1 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.024 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.7 | -50.5 | 176.4 | -176.4 | 0 | 0 | 0 | 0 | 110.1 | P678 R681 Q682 F685 N713 F718 I719 N723 N724 A725 | P678-V721 HydrophobicContact CB-CG2 3.78Å; P678-V721 VanDerWaalsContact O-CG2 3.26Å; P678-V721 WeakPolarHBondContact O-CG2 3.35Å; R681-V721 HydrophobicContact CB-CG1 4.05Å; Q682-V721 HydrophobicContact CB-CG2 4.02Å; F685-V721 HydrophobicContact CD2-CG1 3.98Å; F685-V721 HydrophobicContact CE2-CG1 3.58Å; N713-V721 HydrophobicContact CB-CG1 4.23Å; F718-V721 HydrophobicContact CB-CB 3.91Å; F718-V721 HydrophobicContact CB-CG2 3.86Å; F718-V721 PolarHBondContact O-N 3.16Å; I719-V721 VanDerWaalsContact C-N 3.34Å; I719-V721 PolarHBondContact O-N 3.47Å; V721-N723 VanDerWaalsContact C-N 3.25Å; V721-N723 PolarHBondContact O-N 2.77Å; V721-N724 PolarHBondContact O-N 3.02Å; V721-A725 VanDerWaalsContact O-CB 3.31Å; V721-A725 WeakPolarHBondContact O-CB 3.41Å; V721-A725 PolarHBondContact O-N 2.58Å |
| 722 | C | 89.3 | Confident | 90.2 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 4% | 0.041 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.6 | -39 | 178.4 | -174.6 | 0 | 0 | 0 | 0 | 111.4 | N713 N715 F718 I719 T726 I754 | N713-C722 WeakPolarHBondContact O-CA 3.28Å; N715-C722 WeakPolarHBondContact O-CB 3.5Å; F718-C722 WeakPolarHBondContact O-CB 3.33Å; F718-C722 PolarHBondContact O-N 3.22Å; I719-C722 PolarHBondContact O-N 2.81Å; C722-T726 VanDerWaalsContact O-CB 3.26Å; C722-T726 WeakPolarHBondContact O-CB 3.12Å; C722-T726 PolarHBondContact O-N 2.83Å; C722-T726 PolarHBondContact O-OG1 3.22Å; C722-I754 VanDerWaalsContact SG-CD1 3.57Å |
| 723 | N | 86.8 | Confident | 90.3 | Very high | 24 Ų | 24 | 22.7 Ų | 22.7 | 13% | 0.128 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.6 | -55.8 | 176.8 | -178 | 78.6 | 0 | 0 | 0 | 111.7 | V343 I719 S720 V721 A725 T726 W727 I777 | V343-N723 PolarHBondContact O-ND2 3.49Å; I719-N723 VanDerWaalsContact O-CB 3.22Å; I719-N723 WeakPolarHBondContact O-CB 3.14Å; I719-N723 PolarHBondContact O-N 3.46Å; S720-N723 WeakPolarHBondContact O-CB 3.3Å; S720-N723 PolarHBondContact O-N 3.21Å; V721-N723 VanDerWaalsContact C-N 3.25Å; V721-N723 PolarHBondContact O-N 2.77Å; N723-A725 VanDerWaalsContact C-N 3.33Å; N723-A725 PolarHBondContact O-N 3.22Å; N723-T726 PolarHBondContact O-N 3.28Å; N723-W727 PolarHBondContact O-N 2.91Å; N723-I777 WeakPolarHBondContact OD1-CD1 3.28Å |
| 724 | N | 90.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.9 | -36.7 | -178.6 | -70.2 | 6.5 | 0 | 0 | 0 | 111.7 | R341 V343 Q682 F685 S720 V721 W727 A728 | R341-N724 PolarHBondContact O-ND2 3.07Å; V343-N724 PolarHBondContact N-OD1 2.94Å; Q682-N724 VanDerWaalsContact CG-ND2 3.26Å; Q682-N724 WeakPolarHBondContact CG-ND2 3.2Å; Q682-N724 PolarHBondContact O-ND2 2.76Å; F685-N724 HydrophobicContact CB-CB 3.83Å; S720-N724 PolarHBondContact O-N 2.93Å; V721-N724 PolarHBondContact O-N 3.02Å; N724-W727 PolarHBondContact O-N 3.38Å; N724-A728 WeakPolarHBondContact O-CB 3.41Å; N724-A728 PolarHBondContact O-N 2.94Å |
| 725 | A | 94.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62 | -45.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F685 L710 N713 V721 N723 W727 A728 I729 | F685-A725 HydrophobicContact CD2-CB 3.78Å; F685-A725 HydrophobicContact CE2-CB 4.05Å; F685-A725 HydrophobicContact CG-CB 4.19Å; L710-A725 HydrophobicContact CD2-CB 3.94Å; N713-A725 HydrophobicContact CB-CB 4.25Å; V721-A725 VanDerWaalsContact O-CB 3.31Å; V721-A725 WeakPolarHBondContact O-CB 3.41Å; V721-A725 PolarHBondContact O-N 2.58Å; N723-A725 VanDerWaalsContact C-N 3.33Å; N723-A725 PolarHBondContact O-N 3.22Å; A725-W727 VanDerWaalsContact C-N 3.35Å; A725-W727 PolarHBondContact O-N 3.08Å; A725-A728 PolarHBondContact O-N 3.38Å; A725-I729 WeakPolarHBondContact O-CD1 3.29Å; A725-I729 VanDerWaalsContact O-CG1 3.28Å; A725-I729 WeakPolarHBondContact O-CG1 3.29Å; A725-I729 PolarHBondContact O-N 2.8Å |
| 726 | T | 92.2 | Very high | 91 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.5 | -43.9 | 177.8 | -61 | 0 | 0 | 0 | 0 | 111.6 | L714 C722 N723 I729 G730 L751 I777 P778 T781 | L714-T726 WeakPolarHBondContact CD2-OG1 3.32Å; C722-T726 VanDerWaalsContact O-CB 3.26Å; C722-T726 WeakPolarHBondContact O-CB 3.12Å; C722-T726 PolarHBondContact O-N 2.83Å; C722-T726 PolarHBondContact O-OG1 3.22Å; N723-T726 PolarHBondContact O-N 3.28Å; T726-I729 PolarHBondContact O-N 3.41Å; T726-G730 PolarHBondContact O-N 3.3Å; T726-L751 HydrophobicContact CG2-CD2 3.49Å; T726-L751 VanDerWaalsContact CG2-CD2 3.49Å; T726-I777 HydrophobicContact CG2-CG2 3.75Å; T726-P778 HydrophobicContact CG2-CB 4.34Å; T726-P778 HydrophobicContact CG2-CG 4.22Å; T726-T781 HydrophobicContact CG2-CG2 4.25Å; T726-T781 WeakPolarHBondContact O-CG2 3.42Å; T726-T781 PolarHBondContact O-OG1 2.93Å |
| 727 | W | 92.8 | Very high | 91.6 | Very high | 14 Ų | 14 | 26.2 Ų | 26.2 | 5% | 0.053 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.3 | -46.4 | 177.3 | 174.5 | 77.3 | 0 | 0 | 0 | 111.8 | V343 A686 G689 D690 K693 N723 N724 A725 I729 G730 E731 I777 | V343-W727 HydrophobicContact CB-CD2 4.35Å; V343-W727 HydrophobicContact CB-CE3 4.47Å; V343-W727 HydrophobicContact CB-CG 4.44Å; V343-W727 HydrophobicContact CG1-CD2 3.8Å; V343-W727 HydrophobicContact CG1-CE3 4.32Å; V343-W727 HydrophobicContact CG1-CG 3.84Å; V343-W727 HydrophobicContact CG2-CD2 4.19Å; V343-W727 HydrophobicContact CG2-CE3 3.85Å; V343-W727 HydrophobicContact CG2-CZ3 4.08Å; A686-W727 WeakPolarHBondContact O-CZ3 3.48Å; G689-W727 VanDerWaalsContact CA-CZ3 3.4Å; D690-W727 WeakPolarHBondContact OD1-CH2 3.37Å; K693-W727 HydrophobicContact CD-CZ2 4.4Å; N723-W727 PolarHBondContact O-N 2.91Å; N724-W727 PolarHBondContact O-N 3.38Å; A725-W727 VanDerWaalsContact C-N 3.35Å; A725-W727 PolarHBondContact O-N 3.08Å; W727-I729 VanDerWaalsContact C-N 3.33Å; W727-I729 PolarHBondContact O-N 2.7Å; W727-G730 WeakPolarHBondContact O-CA 3.5Å; W727-G730 PolarHBondContact O-N 2.9Å; W727-E731 HydrophobicContact CD2-CG 4.23Å; W727-E731 HydrophobicContact CH2-CG 4.31Å; W727-E731 HydrophobicContact CZ2-CG 3.73Å; W727-E731 PolarHBondContact NE1-OE1 3.43Å; W727-E731 PolarHBondContact O-N 3.16Å; W727-I777 HydrophobicContact CB-CG2 3.82Å |
| 728 | A | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59 | -41.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L710 N724 A725 G730 E731 I732 | L710-A728 HydrophobicContact CD2-CB 4.2Å; N724-A728 WeakPolarHBondContact O-CB 3.41Å; N724-A728 PolarHBondContact O-N 2.94Å; A725-A728 PolarHBondContact O-N 3.38Å; A728-G730 VanDerWaalsContact C-N 3.28Å; A728-G730 PolarHBondContact O-N 2.99Å; A728-E731 PolarHBondContact O-N 3.46Å; A728-I732 WeakPolarHBondContact O-CB 3.46Å; A728-I732 WeakPolarHBondContact O-CD1 3.35Å; A728-I732 VanDerWaalsContact O-CG1 3.25Å; A728-I732 WeakPolarHBondContact O-CG1 3.46Å; A728-I732 PolarHBondContact O-N 3.42Å |
| 729 | I | 96.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.9 | -42.9 | 172.6 | -67.7 | 160.9 | 0 | 0 | 0 | 110.7 | M707 L710 L714 A725 T726 W727 I732 C733 M740 V747 T781 | M707-I729 HydrophobicContact CE-CG1 4.27Å; M707-I729 HydrophobicContact CE-CG2 4.26Å; M707-I729 HydrophobicContact SD-CG1 4.5Å; L710-I729 HydrophobicContact CB-CD1 4Å; L710-I729 HydrophobicContact CB-CG1 3.88Å; L710-I729 HydrophobicContact CD1-CG1 3.96Å; L710-I729 HydrophobicContact CG-CG1 4.35Å; L714-I729 HydrophobicContact CD1-CD1 4.03Å; L714-I729 HydrophobicContact CD2-CD1 3.97Å; L714-I729 HydrophobicContact CG-CD1 4.22Å; A725-I729 WeakPolarHBondContact O-CD1 3.29Å; A725-I729 VanDerWaalsContact O-CG1 3.28Å; A725-I729 WeakPolarHBondContact O-CG1 3.29Å; A725-I729 PolarHBondContact O-N 2.8Å; T726-I729 PolarHBondContact O-N 3.41Å; W727-I729 VanDerWaalsContact C-N 3.33Å; W727-I729 PolarHBondContact O-N 2.7Å; I729-I732 PolarHBondContact O-N 2.98Å; I729-C733 WeakPolarHBondContact O-CB 3.38Å; I729-C733 PolarHBondContact O-N 3.41Å; I729-M740 HydrophobicContact CG2-CE 4.06Å; I729-V747 HydrophobicContact CD1-CB 4.37Å; I729-V747 HydrophobicContact CD1-CG1 3.9Å; I729-V747 HydrophobicContact CG2-CG2 4.29Å; I729-T781 HydrophobicContact CB-CG2 4.2Å; I729-T781 HydrophobicContact CG2-CG2 3.89Å |
| 730 | G | 92.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.6 | -43 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T726 W727 A728 C733 M734 R784 | T726-G730 PolarHBondContact O-N 3.3Å; W727-G730 WeakPolarHBondContact O-CA 3.5Å; W727-G730 PolarHBondContact O-N 2.9Å; A728-G730 VanDerWaalsContact C-N 3.28Å; A728-G730 PolarHBondContact O-N 2.99Å; G730-C733 WeakPolarHBondContact O-CB 3.38Å; G730-M734 WeakPolarHBondContact O-CG 3.3Å; G730-M734 PolarHBondContact O-N 2.77Å; G730-R784 WeakPolarHBondContact O-CD 3.46Å |
| 731 | E | 93.8 | Very high | 94 | Very high | 10 Ų | 10 | 25.4 Ų | 25.4 | 5% | 0.047 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.3 | -43.7 | 175.8 | -65.1 | -55.8 | 145 | 0 | 0 | 112 | T692 K693 W727 A728 C733 M734 Q735 R784 | T692-E731 HydrophobicContact CG2-CB 4.07Å; K693-E731 HydrophobicContact CD-CG 4.34Å; K693-E731 HydrophobicContact CG-CB 4.49Å; K693-E731 HydrophobicContact CG-CG 4.18Å; K693-E731 WeakPolarHBondContact CG-OE2 3.46Å; W727-E731 HydrophobicContact CD2-CG 4.23Å; W727-E731 HydrophobicContact CH2-CG 4.31Å; W727-E731 HydrophobicContact CZ2-CG 3.73Å; W727-E731 PolarHBondContact NE1-OE1 3.43Å; W727-E731 PolarHBondContact O-N 3.16Å; A728-E731 PolarHBondContact O-N 3.46Å; E731-C733 VanDerWaalsContact C-N 3.29Å; E731-C733 PolarHBondContact O-N 3.47Å; E731-M734 PolarHBondContact O-N 3.28Å; E731-Q735 PolarHBondContact O-N 3.13Å; E731-R784 VanDerWaalsContact CD-NH1 3.27Å; E731-R784 IonicContact OE1-CZ 3.76Å; E731-R784 IonicContact OE1-NH1 2.88Å; E731-R784 PolarHBondContact OE1-NH1 3.15Å; E731-R784 IonicContact OE1-NH2 3.62Å; E731-R784 PolarHBondContact OE1-NH2 2.67Å; E731-R784 IonicContact OE2-NH1 2.81Å |
| 732 | I | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.8 | -43.7 | 176.6 | -69.8 | 164.3 | 0 | 0 | 0 | 110.4 | L688 T692 I703 M707 L710 A728 I729 M734 Q735 M736 M740 | L688-I732 HydrophobicContact CD2-CD1 4.16Å; L688-I732 HydrophobicContact CG-CD1 4.38Å; T692-I732 HydrophobicContact CG2-CB 4.38Å; T692-I732 HydrophobicContact CG2-CG1 3.85Å; I703-I732 HydrophobicContact CD1-CB 4.48Å; I703-I732 HydrophobicContact CD1-CD1 3.87Å; I703-I732 HydrophobicContact CD1-CG1 3.96Å; I703-I732 HydrophobicContact CD1-CG2 3.68Å; I703-I732 HydrophobicContact CG1-CG2 4.42Å; I703-I732 HydrophobicContact CG2-CG2 4.41Å; M707-I732 HydrophobicContact SD-CD1 4.39Å; M707-I732 HydrophobicContact SD-CG2 4.32Å; L710-I732 HydrophobicContact CD1-CD1 3.69Å; A728-I732 WeakPolarHBondContact O-CB 3.46Å; A728-I732 WeakPolarHBondContact O-CD1 3.35Å; A728-I732 VanDerWaalsContact O-CG1 3.25Å; A728-I732 WeakPolarHBondContact O-CG1 3.46Å; A728-I732 PolarHBondContact O-N 3.42Å; I729-I732 PolarHBondContact O-N 2.98Å; I732-M734 VanDerWaalsContact C-N 3.29Å; I732-M734 PolarHBondContact O-N 3.36Å; I732-Q735 PolarHBondContact O-N 2.83Å; I732-Q735 VanDerWaalsContact O-N 3.12Å; I732-M736 HydrophobicContact CG2-CG 3.77Å; I732-M736 WeakPolarHBondContact O-CB 3.35Å; I732-M736 WeakPolarHBondContact O-CG 3.42Å; I732-M736 PolarHBondContact O-N 2.92Å; I732-M740 HydrophobicContact CG2-SD 4.44Å |
| 733 | C | 96.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -54.3 | -46.2 | 178.1 | 175.3 | 0 | 0 | 0 | 0 | 111.7 | I729 G730 E731 Q735 M736 G737 M740 R784 L785 V788 | I729-C733 WeakPolarHBondContact O-CB 3.38Å; I729-C733 PolarHBondContact O-N 3.41Å; G730-C733 WeakPolarHBondContact O-CB 3.38Å; E731-C733 VanDerWaalsContact C-N 3.29Å; E731-C733 PolarHBondContact O-N 3.47Å; C733-Q735 VanDerWaalsContact C-N 3.3Å; C733-Q735 PolarHBondContact O-N 2.94Å; C733-M736 PolarHBondContact O-N 3.28Å; C733-G737 PolarHBondContact O-N 3.22Å; C733-G737 VanDerWaalsContact O-N 3.12Å; C733-M740 HydrophobicContact CB-CE 4.39Å; C733-M740 HydrophobicContact CB-CG 4.41Å; C733-R784 PolarHBondContact SG-O 3.4Å; C733-L785 HydrophobicContact CB-CD2 4.24Å; C733-L785 VanDerWaalsContact SG-CA 3.53Å; C733-V788 WeakPolarHBondContact SG-CG2 3.49Å |
| 734 | M | 95.3 | Very high | 95.1 | Very high | 60 Ų | 60 | 30.7 Ų | 30.7 | 30% | 0.296 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.6 | -31.8 | -179.8 | -68.5 | -57.6 | -62.7 | 0 | 0 | 113.1 | G730 E731 I732 R784 Y787 | G730-M734 WeakPolarHBondContact O-CG 3.3Å; G730-M734 PolarHBondContact O-N 2.77Å; E731-M734 PolarHBondContact O-N 3.28Å; I732-M734 VanDerWaalsContact C-N 3.29Å; I732-M734 PolarHBondContact O-N 3.36Å; M734-R784 HydrophobicContact CG-CB 4.27Å; M734-R784 HydrophobicContact CG-CG 3.97Å; M734-R784 HydrophobicContact SD-CB 3.89Å; M734-R784 HydrophobicContact SD-CG 3.69Å; M734-Y787 HydrophobicContact CE-CD1 3.91Å; M734-Y787 HydrophobicContact CE-CE1 3.96Å; M734-Y787 HydrophobicContact SD-CD1 4.01Å |
| 735 | Q | 96.6 | Very high | 95.1 | Very high | 89 Ų | 89 | 35.3 Ų | 35.3 | 42% | 0.416 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -83.1 | -34.2 | 178.2 | -61.7 | -63 | -25.7 | 0 | 0 | 113.4 | T692 F696 E731 I732 C733 | T692-Q735 HydrophobicContact CG2-CB 4.36Å; T692-Q735 HydrophobicContact CG2-CG 3.74Å; F696-Q735 HydrophobicContact CB-CB 4.31Å; F696-Q735 HydrophobicContact CB-CG 4.19Å; F696-Q735 HydrophobicContact CD1-CB 3.6Å; F696-Q735 HydrophobicContact CD1-CG 4.39Å; F696-Q735 HydrophobicContact CD2-CB 3.7Å; F696-Q735 HydrophobicContact CD2-CG 4.06Å; F696-Q735 HydrophobicContact CE1-CB 3.68Å; F696-Q735 HydrophobicContact CE2-CB 3.8Å; F696-Q735 HydrophobicContact CG-CB 3.59Å; F696-Q735 HydrophobicContact CG-CG 3.96Å; F696-Q735 HydrophobicContact CZ-CB 3.79Å; E731-Q735 PolarHBondContact O-N 3.13Å; I732-Q735 PolarHBondContact O-N 2.83Å; I732-Q735 VanDerWaalsContact O-N 3.12Å; C733-Q735 VanDerWaalsContact C-N 3.3Å; C733-Q735 PolarHBondContact O-N 2.94Å |
| 736 | M | 96.2 | Very high | 95.1 | Very high | 14 Ų | 14 | 38.7 Ų | 38.7 | 7% | 0.069 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -74.1 | -33.1 | 179.8 | -73.8 | -71.1 | -18.9 | 0 | 0 | 112.8 | F696 I703 I732 C733 A738 E739 M740 | F696-M736 HydrophobicContact CE1-SD 4.33Å; F696-M736 HydrophobicContact CZ-CG 3.86Å; F696-M736 HydrophobicContact CZ-SD 3.6Å; F696-M736 VanDerWaalsContact CZ-SD 3.6Å; I703-M736 HydrophobicContact CB-SD 4.43Å; I703-M736 HydrophobicContact CG1-SD 4.17Å; I703-M736 HydrophobicContact CG2-SD 4.02Å; I732-M736 HydrophobicContact CG2-CG 3.77Å; I732-M736 WeakPolarHBondContact O-CB 3.35Å; I732-M736 WeakPolarHBondContact O-CG 3.42Å; I732-M736 PolarHBondContact O-N 2.92Å; C733-M736 PolarHBondContact O-N 3.28Å; M736-A738 PolarHBondContact O-N 3.23Å; M736-E739 HydrophobicContact CE-CB 3.12Å; M736-E739 HydrophobicContact CE-CG 4.11Å; M736-E739 WeakPolarHBondContact CE-OE2 3.26Å; M736-E739 WeakPolarHBondContact O-CB 3.35Å; M736-E739 PolarHBondContact O-N 3.04Å; M736-M740 HydrophobicContact CB-CB 4.03Å; M736-M740 HydrophobicContact CB-SD 4.43Å; M736-M740 HydrophobicContact CG-SD 4.37Å |
| 737 | G | 95.4 | Very high | 95.1 | Very high | 23 Ų | 23 | 38.6 Ų | 38.6 | 24% | 0.237 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | 58.6 | -134 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112 | C733 E739 M740 | C733-G737 PolarHBondContact O-N 3.22Å; C733-G737 VanDerWaalsContact O-N 3.12Å; G737-E739 PolarHBondContact O-N 2.99Å; G737-M740 WeakPolarHBondContact O-CB 3.19Å; G737-M740 PolarHBondContact O-N 3.29Å |
| 738 | A | 93.8 | Very high | 95.2 | Very high | 80 Ų | 80 | 38 Ų | 38 | 66% | 0.661 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -63.8 | -22.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | M736 M740 Q741 | M736-A738 PolarHBondContact O-N 3.23Å; A738-M740 PolarHBondContact O-N 3.24Å; A738-M740 VanDerWaalsContact O-N 3.17Å; A738-Q741 WeakPolarHBondContact O-CB 3.32Å; A738-Q741 PolarHBondContact O-N 2.95Å |
| 739 | E | 96.6 | Very high | 95 | Very high | 111 Ų | 111 | 42 Ų | 42 | 52% | 0.519 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -68.2 | -8 | 175.3 | -65.9 | 176.8 | -127.4 | 0 | 0 | 112.5 | K700 M736 G737 Q741 P742 | K700-E739 VanDerWaalsContact CE-OE2 3.24Å; K700-E739 WeakPolarHBondContact CE-OE2 3.27Å; K700-E739 IonicContact NZ-OE1 3.08Å; K700-E739 PolarHBondContact NZ-OE1 3.2Å; K700-E739 IonicContact NZ-OE2 3.33Å; K700-E739 PolarHBondContact NZ-OE2 3.39Å; M736-E739 HydrophobicContact CE-CB 3.12Å; M736-E739 HydrophobicContact CE-CG 4.11Å; M736-E739 WeakPolarHBondContact CE-OE2 3.26Å; M736-E739 WeakPolarHBondContact O-CB 3.35Å; M736-E739 PolarHBondContact O-N 3.04Å; G737-E739 PolarHBondContact O-N 2.99Å; E739-Q741 VanDerWaalsContact C-N 3.26Å; E739-Q741 PolarHBondContact O-N 3.42Å; E739-P742 VanDerWaalsContact O-CD 3.25Å; E739-P742 WeakPolarHBondContact O-CD 3.26Å |
| 740 | M | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -71.2 | -19.1 | 174.2 | -168.3 | 58.6 | 178.2 | 0 | 0 | 113.2 | M707 I729 I732 C733 M736 G737 A738 P742 Y743 V744 L785 V788 | M707-M740 HydrophobicContact CE-CE 3.44Å; M707-M740 VanDerWaalsContact CE-CE 3.44Å; M707-M740 HydrophobicContact SD-CE 3.95Å; I729-M740 HydrophobicContact CG2-CE 4.06Å; I732-M740 HydrophobicContact CG2-SD 4.44Å; C733-M740 HydrophobicContact CB-CE 4.39Å; C733-M740 HydrophobicContact CB-CG 4.41Å; M736-M740 HydrophobicContact CB-CB 4.03Å; M736-M740 HydrophobicContact CB-SD 4.43Å; M736-M740 HydrophobicContact CG-SD 4.37Å; G737-M740 WeakPolarHBondContact O-CB 3.19Å; G737-M740 PolarHBondContact O-N 3.29Å; A738-M740 PolarHBondContact O-N 3.24Å; A738-M740 VanDerWaalsContact O-N 3.17Å; M740-P742 VanDerWaalsContact C-N 3.35Å; M740-P742 VanDerWaalsContact O-N 3.12Å; M740-Y743 PolarHBondContact O-N 3.42Å; M740-Y743 HydrophobicContact SD-CD2 4.05Å; M740-V744 HydrophobicContact CG-CG2 4.37Å; M740-V744 PolarHBondContact O-N 3.33Å; M740-L785 HydrophobicContact CE-CD2 3.92Å; M740-L785 HydrophobicContact CG-CD2 4.07Å; M740-V788 HydrophobicContact CB-CG2 4.15Å |
| 741 | Q | 96.4 | Very high | 94.5 | Very high | 98 Ų | 98 | 44.7 Ų | 44.7 | 46% | 0.458 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -47.2 | -43.6 | -172.3 | -167.9 | -123.2 | -7.7 | 0 | 0 | 115 | A738 E739 Y743 V744 E792 | A738-Q741 WeakPolarHBondContact O-CB 3.32Å; A738-Q741 PolarHBondContact O-N 2.95Å; E739-Q741 VanDerWaalsContact C-N 3.26Å; E739-Q741 PolarHBondContact O-N 3.42Å; Q741-Y743 PolarHBondContact O-N 3.4Å; Q741-Y743 VanDerWaalsContact O-N 3.15Å; Q741-V744 PolarHBondContact O-N 3.09Å; Q741-E792 HydrophobicContact CG-CG 4.02Å; Q741-E792 PolarHBondContact NE2-OE1 3.02Å |
| 742 | P | 96.9 | Very high | 94.3 | Very high | 95 Ų | 95 | 44.6 Ų | 44.6 | 62% | 0.617 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -63.2 | -22.1 | -179.5 | -22 | 35 | 0 | 0 | 0 | 114.4 | E739 M740 | E739-P742 VanDerWaalsContact O-CD 3.25Å; E739-P742 WeakPolarHBondContact O-CD 3.26Å; M740-P742 VanDerWaalsContact C-N 3.35Å; M740-P742 VanDerWaalsContact O-N 3.12Å |
| 743 | Y | 96.8 | Very high | 93.8 | Very high | 50 Ų | 50 | 51.1 Ų | 51.1 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -100.7 | -13.1 | -174.2 | -48.4 | -74.4 | 0 | 0 | 0 | 113.3 | I703 M707 M740 Q741 Q745 M746 | I703-Y743 HydrophobicContact CG2-CE2 4.02Å; M707-Y743 HydrophobicContact CB-CD1 3.68Å; M707-Y743 HydrophobicContact CB-CE1 4.11Å; M707-Y743 HydrophobicContact CB-CG 4.14Å; M707-Y743 HydrophobicContact CE-CG 4.49Å; M707-Y743 HydrophobicContact CG-CD1 3.97Å; M707-Y743 HydrophobicContact CG-CD2 4.38Å; M707-Y743 HydrophobicContact CG-CE1 4.36Å; M707-Y743 HydrophobicContact CG-CG 3.97Å; M740-Y743 PolarHBondContact O-N 3.42Å; M740-Y743 HydrophobicContact SD-CD2 4.05Å; Q741-Y743 PolarHBondContact O-N 3.4Å; Q741-Y743 VanDerWaalsContact O-N 3.15Å; Y743-Q745 PolarHBondContact O-N 3.2Å; Y743-M746 HydrophobicContact CD1-CE 3.75Å; Y743-M746 HydrophobicContact CG-CE 4.39Å; Y743-M746 WeakPolarHBondContact O-CB 3.43Å; Y743-M746 PolarHBondContact O-N 3.2Å |
| 744 | V | 94.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.5 | -48.9 | -175.4 | 177.3 | 0 | 0 | 0 | 0 | 111.4 | M740 Q741 M746 V747 L748 L785 C789 E792 V793 | M740-V744 HydrophobicContact CG-CG2 4.37Å; M740-V744 PolarHBondContact O-N 3.33Å; Q741-V744 PolarHBondContact O-N 3.09Å; V744-M746 PolarHBondContact O-N 3.15Å; V744-V747 WeakPolarHBondContact O-CG2 3.3Å; V744-V747 PolarHBondContact O-N 3.06Å; V744-L748 HydrophobicContact CG1-CB 4.27Å; V744-L748 HydrophobicContact CG1-CD2 4.18Å; V744-L748 WeakPolarHBondContact O-CB 3.37Å; V744-L748 PolarHBondContact O-N 2.92Å; V744-L785 HydrophobicContact CG2-CD2 4.27Å; V744-C789 HydrophobicContact CG2-CB 3.96Å; V744-E792 HydrophobicContact CB-CB 4.41Å; V744-E792 HydrophobicContact CG1-CB 3.9Å; V744-V793 HydrophobicContact CG1-CG2 3.87Å |
| 745 | Q | 91.4 | Very high | 92.8 | Very high | 97 Ų | 97 | 49.3 Ų | 49.3 | 45% | 0.453 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.7 | -25.7 | -177 | -66.3 | -62.7 | -28.2 | 0 | 0 | 113.4 | Y743 E792 | Y743-Q745 PolarHBondContact O-N 3.2Å; Q745-E792 PolarHBondContact NE2-OE2 3.25Å; Q745-E792 VanDerWaalsContact NE2-OE2 3.14Å |
| 746 | M | 93.6 | Very high | 92.2 | Very high | 70 Ų | 70 | 48.8 Ų | 48.8 | 35% | 0.345 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -72.6 | -29.4 | 179.5 | 175.7 | 169.1 | 46.9 | 0 | 0 | 112.7 | M707 P708 Y743 V744 | M707-M746 HydrophobicContact CB-CE 3.77Å; P708-M746 HydrophobicContact CB-SD 4.26Å; P708-M746 HydrophobicContact CG-CE 4.47Å; P708-M746 HydrophobicContact CG-SD 4.28Å; Y743-M746 HydrophobicContact CD1-CE 3.75Å; Y743-M746 HydrophobicContact CG-CE 4.39Å; Y743-M746 WeakPolarHBondContact O-CB 3.43Å; Y743-M746 PolarHBondContact O-N 3.2Å; V744-M746 PolarHBondContact O-N 3.15Å |
| 747 | V | 93.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -110.1 | -30.1 | -174.1 | -60.8 | 0 | 0 | 0 | 0 | 112.9 | M707 L714 I729 V744 N749 N750 L751 L785 | M707-V747 HydrophobicContact CE-CG1 3.84Å; L714-V747 HydrophobicContact CD1-CB 3.91Å; L714-V747 HydrophobicContact CD1-CG1 4.15Å; I729-V747 HydrophobicContact CD1-CB 4.37Å; I729-V747 HydrophobicContact CD1-CG1 3.9Å; I729-V747 HydrophobicContact CG2-CG2 4.29Å; V744-V747 WeakPolarHBondContact O-CG2 3.3Å; V744-V747 PolarHBondContact O-N 3.06Å; V747-N749 PolarHBondContact O-N 3Å; V747-N750 PolarHBondContact O-N 3.41Å; V747-L751 HydrophobicContact CB-CD1 4.35Å; V747-L751 HydrophobicContact CG2-CD1 4.28Å; V747-L751 WeakPolarHBondContact O-CG 3.14Å; V747-L751 PolarHBondContact O-N 3.22Å; V747-L785 HydrophobicContact CG2-CD1 4Å |
| 748 | L | 93.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.6 | -43.7 | -168.7 | 179.9 | 60.7 | 0 | 0 | 0 | 113.3 | V744 N750 L751 V752 V793 M796 | V744-L748 HydrophobicContact CG1-CB 4.27Å; V744-L748 HydrophobicContact CG1-CD2 4.18Å; V744-L748 WeakPolarHBondContact O-CB 3.37Å; V744-L748 PolarHBondContact O-N 2.92Å; L748-N750 PolarHBondContact O-N 3.12Å; L748-L751 PolarHBondContact O-N 3.48Å; L748-V752 HydrophobicContact CD1-CG2 4.05Å; L748-V752 HydrophobicContact CG-CG2 4.46Å; L748-V752 WeakPolarHBondContact O-CG2 3.41Å; L748-V752 PolarHBondContact O-N 3.34Å; L748-V793 HydrophobicContact CD1-CG1 3.82Å; L748-V793 HydrophobicContact CD2-CB 4.36Å; L748-V793 HydrophobicContact CD2-CG1 4.22Å; L748-V793 HydrophobicContact CD2-CG2 4.21Å; L748-M796 HydrophobicContact CD2-CG 4.37Å; L748-M796 HydrophobicContact CD2-SD 3.48Å; L748-M796 WeakPolarHBondContact CD2-SD 3.23Å; L748-M796 HydrophobicContact CG-SD 3.64Å |
| 749 | N | 92.1 | Very high | 88.5 | Confident | 86 Ų | 86 | 60.9 Ų | 60.9 | 46% | 0.46 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | -179.7 | -69.9 | -37.1 | 0 | 0 | 0 | 111.6 | V747 L751 V752 E753 | V747-N749 PolarHBondContact O-N 3Å; N749-L751 VanDerWaalsContact C-N 3.34Å; N749-L751 PolarHBondContact O-N 2.9Å; N749-V752 PolarHBondContact O-N 3.23Å; N749-E753 PolarHBondContact O-N 2.75Å |
| 750 | N | 90.2 | Very high | 86.6 | Confident | 56 Ų | 56 | 56.9 Ų | 56.9 | 30% | 0.299 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 178 | -63.3 | -5.1 | 0 | 0 | 0 | 110.7 | G711 L714 V747 L748 V752 E753 I754 | G711-N750 PolarHBondContact O-ND2 2.89Å; L714-N750 HydrophobicContact CB-CB 3.91Å; L714-N750 HydrophobicContact CD1-CB 3.87Å; V747-N750 PolarHBondContact O-N 3.41Å; L748-N750 PolarHBondContact O-N 3.12Å; N750-V752 PolarHBondContact O-N 3.29Å; N750-E753 WeakPolarHBondContact O-CB 3.43Å; N750-E753 PolarHBondContact O-N 2.93Å; N750-I754 WeakPolarHBondContact O-CB 3.07Å; N750-I754 WeakPolarHBondContact O-CD1 3.48Å; N750-I754 WeakPolarHBondContact O-CG1 3.33Å; N750-I754 PolarHBondContact O-N 3.09Å |
| 751 | L | 88.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 177.3 | -67.2 | 172.9 | 0 | 0 | 0 | 112.5 | L714 T726 V747 L748 N749 E753 I754 I755 T781 I782 L785 | L714-L751 HydrophobicContact CD1-CD2 4.15Å; L714-L751 HydrophobicContact CD1-CG 4.14Å; L714-L751 HydrophobicContact CD2-CD2 4.07Å; T726-L751 HydrophobicContact CG2-CD2 3.49Å; T726-L751 VanDerWaalsContact CG2-CD2 3.49Å; V747-L751 HydrophobicContact CB-CD1 4.35Å; V747-L751 HydrophobicContact CG2-CD1 4.28Å; V747-L751 WeakPolarHBondContact O-CG 3.14Å; V747-L751 PolarHBondContact O-N 3.22Å; L748-L751 PolarHBondContact O-N 3.48Å; N749-L751 VanDerWaalsContact C-N 3.34Å; N749-L751 PolarHBondContact O-N 2.9Å; L751-E753 VanDerWaalsContact C-N 3.32Å; L751-I754 PolarHBondContact O-N 2.93Å; L751-I755 WeakPolarHBondContact O-CG2 3.39Å; L751-I755 PolarHBondContact O-N 3.47Å; L751-T781 HydrophobicContact CD1-CG2 3.82Å; L751-I782 HydrophobicContact CB-CD1 3.98Å; L751-I782 HydrophobicContact CB-CG1 3.81Å; L751-I782 HydrophobicContact CD1-CG1 4.28Å; L751-L785 HydrophobicContact CD1-CD1 3.62Å |
| 752 | V | 88.9 | Confident | 81.7 | Confident | 7 Ų | 7 | 62 Ų | 62 | 4% | 0.042 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.2 | -32.9 | 175.9 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | L748 N749 N750 I755 N756 I782 M796 Q799 F800 | L748-V752 HydrophobicContact CD1-CG2 4.05Å; L748-V752 HydrophobicContact CG-CG2 4.46Å; L748-V752 WeakPolarHBondContact O-CG2 3.41Å; L748-V752 PolarHBondContact O-N 3.34Å; N749-V752 PolarHBondContact O-N 3.23Å; N750-V752 PolarHBondContact O-N 3.29Å; V752-I755 WeakPolarHBondContact O-CG2 3.13Å; V752-N756 WeakPolarHBondContact O-CB 3.48Å; V752-N756 PolarHBondContact O-N 3.32Å; V752-N756 PolarHBondContact O-ND2 2.81Å; V752-I782 HydrophobicContact CG2-CD1 4.33Å; V752-M796 HydrophobicContact CB-CE 3.96Å; V752-M796 HydrophobicContact CG1-CE 3.96Å; V752-M796 HydrophobicContact CG2-CE 3.81Å; V752-M796 HydrophobicContact CG2-SD 4.38Å; V752-Q799 HydrophobicContact CG1-CB 3.95Å; V752-F800 HydrophobicContact CG2-CB 4.47Å; V752-F800 HydrophobicContact CG2-CD1 3.89Å |
| 753 | E | 88.3 | Confident | 78.7 | Confident | 138 Ų | 138 | 60.9 Ų | 60.9 | 65% | 0.645 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -67.4 | -48.4 | 172.3 | -173.8 | 176.5 | 169.3 | 0 | 0 | 111.3 | N749 N750 L751 I755 N756 R757 | N749-E753 PolarHBondContact O-N 2.75Å; N750-E753 WeakPolarHBondContact O-CB 3.43Å; N750-E753 PolarHBondContact O-N 2.93Å; L751-E753 VanDerWaalsContact C-N 3.32Å; E753-I755 PolarHBondContact O-N 2.97Å; E753-N756 CarbonylContact O-C 3.3Å; E753-N756 PolarHBondContact O-N 3.26Å; E753-N756 VanDerWaalsContact O-N 3.16Å; E753-R757 PolarHBondContact O-N 3.17Å; E753-R757 VanDerWaalsContact O-N 3.08Å |
| 754 | I | 85.5 | Confident | 75.7 | Confident | 12 Ų | 12 | 60.8 Ų | 60.8 | 6% | 0.062 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59 | -46.5 | -179.3 | -69.1 | 160.1 | 0 | 0 | 0 | 111.4 | L714 P716 C722 N750 L751 N756 R757 P778 | L714-I754 HydrophobicContact CB-CD1 4.05Å; L714-I754 HydrophobicContact CD2-CD1 4.45Å; P716-I754 HydrophobicContact CB-CG1 4.38Å; P716-I754 HydrophobicContact CG-CG1 4.34Å; C722-I754 VanDerWaalsContact SG-CD1 3.57Å; N750-I754 WeakPolarHBondContact O-CB 3.07Å; N750-I754 WeakPolarHBondContact O-CD1 3.48Å; N750-I754 WeakPolarHBondContact O-CG1 3.33Å; N750-I754 PolarHBondContact O-N 3.09Å; L751-I754 PolarHBondContact O-N 2.93Å; I754-N756 PolarHBondContact O-N 3.17Å; I754-R757 WeakPolarHBondContact O-CB 3.39Å; I754-R757 PolarHBondContact O-N 3.38Å; I754-P778 HydrophobicContact CG2-CB 4.33Å; I754-P778 HydrophobicContact CG2-CG 3.79Å |
| 755 | I | 84.1 | Confident | 72.9 | Confident | 9 Ų | 9 | 61.9 Ų | 61.9 | 5% | 0.046 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.5 | -23.1 | -178.6 | -161 | 176.3 | 0 | 0 | 0 | 112.9 | L751 V752 E753 P778 A779 I782 F800 P803 W804 | L751-I755 WeakPolarHBondContact O-CG2 3.39Å; L751-I755 PolarHBondContact O-N 3.47Å; V752-I755 WeakPolarHBondContact O-CG2 3.13Å; E753-I755 PolarHBondContact O-N 2.97Å; I755-P778 HydrophobicContact CB-CB 4.39Å; I755-A779 HydrophobicContact CD1-CB 3.79Å; I755-I782 HydrophobicContact CB-CD1 4.45Å; I755-I782 HydrophobicContact CD1-CD1 4.22Å; I755-I782 HydrophobicContact CG2-CD1 4.11Å; I755-F800 HydrophobicContact CG2-CB 3.9Å; I755-P803 HydrophobicContact CG1-CB 4.11Å; I755-P803 HydrophobicContact CG1-CG 4.24Å; I755-P803 HydrophobicContact CG2-CG 4.41Å; I755-P803 WeakPolarHBondContact O-CB 3.17Å; I755-W804 HydrophobicContact CD1-CB 3.9Å; I755-W804 HydrophobicContact CD1-CG 4.49Å |
| 756 | N | 83.9 | Confident | 70 | Confident | 78 Ų | 78 | 59.8 Ų | 59.8 | 42% | 0.417 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -95.3 | -3.9 | 177.6 | -79.3 | -68.7 | 0 | 0 | 0 | 113.4 | V752 E753 I754 P758 Q799 | V752-N756 WeakPolarHBondContact O-CB 3.48Å; V752-N756 PolarHBondContact O-N 3.32Å; V752-N756 PolarHBondContact O-ND2 2.81Å; E753-N756 CarbonylContact O-C 3.3Å; E753-N756 PolarHBondContact O-N 3.26Å; E753-N756 VanDerWaalsContact O-N 3.16Å; I754-N756 PolarHBondContact O-N 3.17Å; N756-P758 WeakPolarHBondContact O-CD 3.37Å; N756-Q799 PolarHBondContact ND2-O 3.34Å; N756-Q799 PolarHBondContact OD1-O 2.73Å |
| 757 | R | 79.8 | Confident | 67.1 | Low | 110 Ų | 110 | 60.9 Ų | 60.9 | 42% | 0.415 | 32% | 0.315 | S | S | . | . | trans | -67.8 | 124.1 | -177.2 | -170.7 | 177.3 | -171.8 | -161.8 | 5.8 | 110 | P716 E753 I754 T760 | P716-R757 PolarHBondContact O-NH1 3.35Å; E753-R757 PolarHBondContact O-N 3.17Å; E753-R757 VanDerWaalsContact O-N 3.08Å; I754-R757 WeakPolarHBondContact O-CB 3.39Å; I754-R757 PolarHBondContact O-N 3.38Å; R757-T760 PolarHBondContact O-OG1 2.94Å | ||
| 758 | P | 67.8 | Low | 64.1 | Low | 103 Ų | 103 | 64.3 Ų | 64.3 | 67% | 0.669 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 144.9 | 174 | 29.4 | -33.3 | 0 | 0 | 0 | 109.6 | N756 T760 | N756-P758 WeakPolarHBondContact O-CD 3.37Å; P758-T760 VanDerWaalsContact C-N 3.26Å; P758-T760 PolarHBondContact O-N 3.14Å |
| 759 | N | 60.1 | Low | 61.2 | Low | 158 Ų | 158 | 67.2 Ų | 67.2 | 85% | 0.845 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 32.6 | 179.3 | -52.3 | -23.9 | 0 | 0 | 0 | 114.1 | P761 | N759-P761 WeakPolarHBondContact O-CD 3.17Š|
| 760 | T | 56.1 | Low | 58.5 | Low | 27 Ų | 27 | 68.6 Ų | 68.6 | 17% | 0.166 | 37% | 0.365 | C | S | . | . | trans | -56.1 | 113 | 162.4 | -55.7 | 0 | 0 | 0 | 0 | 106.9 | R757 P758 K762 P774 | R757-T760 PolarHBondContact O-OG1 2.94Å; P758-T760 VanDerWaalsContact C-N 3.26Å; P758-T760 PolarHBondContact O-N 3.14Å; T760-K762 PolarHBondContact O-N 3.21Å; T760-P774 HydrophobicContact CG2-CB 4.14Å; T760-P774 WeakPolarHBondContact O-CG 3.31Å | ||
| 761 | P | 46.5 | Very low | 56 | Low | 43 Ų | 43 | 68 Ų | 68 | 28% | 0.279 | 36% | 0.361 | S | S | . | . | trans | -59.8 | 135 | -164.1 | -28.8 | 38.3 | 0 | 0 | 0 | 111.8 | I719 N759 T763 P774 | I719-P761 HydrophobicContact CD1-CB 3.9Å; I719-P761 HydrophobicContact CD1-CG 3.49Å; I719-P761 VanDerWaalsContact CD1-CG 3.49Å; N759-P761 WeakPolarHBondContact O-CD 3.17Å; P761-T763 HydrophobicContact CB-CG2 4.15Å; P761-T763 WeakPolarHBondContact CB-OG1 3.27Å; P761-T763 PolarHBondContact O-N 3.03Å; P761-P774 WeakPolarHBondContact O-CB 3.25Å | ||
| 762 | K | 43.5 | Very low | 53.8 | Low | 164 Ų | 164 | 69 Ų | 69 | 71% | 0.713 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -67.2 | -6 | 166.6 | -69.8 | -179.8 | 176.5 | -178.9 | 0 | 111.9 | T760 L764 L765 P774 | T760-K762 PolarHBondContact O-N 3.21Å; K762-L764 VanDerWaalsContact C-N 3.29Å; K762-L764 PolarHBondContact O-N 2.9Å; K762-L764 VanDerWaalsContact O-N 3.13Å; K762-L765 WeakPolarHBondContact O-CD1 3.47Å; K762-P774 HydrophobicContact CB-CG 4.49Å; K762-P774 HydrophobicContact CG-CG 4.03Å |
| 763 | T | 34.2 | Very low | 51.9 | Low | 71 Ų | 71 | 69.8 Ų | 69.8 | 44% | 0.436 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 11.3 | -158.8 | 53.7 | 0 | 0 | 0 | 0 | 115.9 | P761 L765 | P761-T763 HydrophobicContact CB-CG2 4.15Å; P761-T763 WeakPolarHBondContact CB-OG1 3.27Å; P761-T763 PolarHBondContact O-N 3.03Å; T763-L765 VanDerWaalsContact C-N 3.3Å |
| 764 | L | 34.4 | Very low | 50.1 | Low | 47 Ų | 47 | 64.9 Ų | 64.9 | 25% | 0.246 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 14.2 | 171.2 | -110.3 | 134.4 | 0 | 0 | 0 | 113.8 | T342 I719 S720 K762 | T342-L764 HydrophobicContact CG2-CD2 3.53Å; T342-L764 WeakPolarHBondContact OG1-CD2 3.44Å; I719-L764 HydrophobicContact CB-CD1 3.53Å; I719-L764 HydrophobicContact CG2-CD1 3.4Å; S720-L764 WeakPolarHBondContact OG-CD1 3.33Å; S720-L764 WeakPolarHBondContact OG-CD2 3.47Å; K762-L764 VanDerWaalsContact C-N 3.29Å; K762-L764 PolarHBondContact O-N 2.9Å; K762-L764 VanDerWaalsContact O-N 3.13Å |
| 765 | L | 34.8 | Very low | 48.7 | Very low | 24 Ų | 24 | 65.6 Ų | 65.6 | 13% | 0.126 | 36% | 0.36 | C | S | . | . | trans | -114.5 | -3.9 | -169.1 | -79.2 | 163.1 | 0 | 0 | 0 | 116.4 | T344 K762 T763 N767 R770 T772 | T344-L765 HydrophobicContact CG2-CD2 4.34Å; K762-L765 WeakPolarHBondContact O-CD1 3.47Å; T763-L765 VanDerWaalsContact C-N 3.3Å; L765-N767 VanDerWaalsContact C-N 3.31Å; L765-N767 PolarHBondContact O-N 3.45Å; L765-R770 WeakPolarHBondContact CD2-O 3.24Å; L765-T772 WeakPolarHBondContact CD1-O 3.28Å; L765-T772 VanDerWaalsContact CD1-OG1 3.31Å; L765-T772 WeakPolarHBondContact CD1-OG1 3.36Å; L765-T772 HydrophobicContact CD2-CG2 4.12Å; L765-T772 VanDerWaalsContact CD2-OG1 3.32Å; L765-T772 WeakPolarHBondContact CD2-OG1 3.36Å; L765-T772 WeakPolarHBondContact CG-OG1 3.43Å | ||
| 766 | E | 32.1 | Very low | 48 | Very low | 53 Ų | 53 | 65.2 Ų | 65.2 | 25% | 0.248 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -18.2 | -176 | -72.2 | 159.7 | -135.8 | 0 | 0 | 112.2 | E356 D357 A358 | E356-E766 PolarHBondContact N-OE2 2.99Å; D357-E766 PolarHBondContact N-OE2 2.85Å; A358-E766 HydrophobicContact CB-CB 4.4Å |
| 767 | N | 31.2 | Very low | 47.7 | Very low | 93 Ų | 93 | 61.8 Ų | 61.8 | 50% | 0.497 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -3.9 | -173.7 | -72.4 | -51.3 | 0 | 0 | 0 | 117 | A358 L765 | A358-N767 WeakPolarHBondContact CB-OD1 3.37Å; L765-N767 VanDerWaalsContact C-N 3.31Å; L765-N767 PolarHBondContact O-N 3.45Å |
| 768 | T | 31.1 | Very low | 47.9 | Very low | 71 Ų | 71 | 56.8 Ų | 56.8 | 44% | 0.436 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -137 | 11.5 | -172 | 38.8 | 0 | 0 | 0 | 0 | 115.6 | R770 | T768-R770 WeakPolarHBondContact O-CG 3.19Å; T768-R770 PolarHBondContact O-N 3.5Å |
| 769 | G | 31.7 | Very low | 48.8 | Very low | 62 Ų | 62 | 51.9 Ų | 51.9 | 64% | 0.639 | 29% | 0.289 | S | S | * | . | S | Bend | trans | 59.1 | 4.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 770 | R | 35.8 | Very low | 50.3 | Low | 114 Ų | 114 | 44.6 Ų | 44.6 | 43% | 0.43 | 25% | 0.25 | S | S | . | . | trans | -115.9 | 79.1 | -172.8 | -71.8 | -176.5 | -172.1 | -166 | 5.6 | 110.8 | D547 L765 T768 T772 | D547-R770 PolarHBondContact O-NH2 2.96Å; L765-R770 WeakPolarHBondContact CD2-O 3.24Å; T768-R770 WeakPolarHBondContact O-CG 3.19Å; T768-R770 PolarHBondContact O-N 3.5Å; R770-T772 PolarHBondContact O-N 2.65Å | ||
| 771 | L | 38 | Very low | 52 | Low | 44 Ų | 44 | 43.3 Ų | 43.3 | 23% | 0.23 | 24% | 0.242 | C | C | . | . | trans | -34.3 | 123.1 | 168.4 | -74.6 | 157.4 | 0 | 0 | 0 | 111.4 | H347 E350 P352 | H347-L771 HydrophobicContact CB-CB 3.56Å; H347-L771 WeakPolarHBondContact CB-O 3.22Å; H347-L771 PolarHBondContact N-O 3.07Å; E350-L771 WeakPolarHBondContact O-CD1 3.3Å; E350-L771 VanDerWaalsContact O-CD2 3.26Å; E350-L771 WeakPolarHBondContact O-CD2 3.45Å; P352-L771 HydrophobicContact CG-CD2 4.02Å | ||
| 772 | T | 41.6 | Very low | 54.3 | Low | 20 Ų | 20 | 41.3 Ų | 41.3 | 12% | 0.123 | 23% | 0.229 | C | C | . | . | trans | -120.8 | 155.5 | 164 | 56 | 0 | 0 | 0 | 0 | 108.8 | T344 L345 L765 R770 | T344-T772 HydrophobicContact CG2-CG2 4.25Å; L345-T772 HydrophobicContact CB-CG2 3.95Å; L345-T772 WeakPolarHBondContact O-CG2 3.31Å; L765-T772 WeakPolarHBondContact CD1-O 3.28Å; L765-T772 VanDerWaalsContact CD1-OG1 3.31Å; L765-T772 WeakPolarHBondContact CD1-OG1 3.36Å; L765-T772 HydrophobicContact CD2-CG2 4.12Å; L765-T772 VanDerWaalsContact CD2-OG1 3.32Å; L765-T772 WeakPolarHBondContact CD2-OG1 3.36Å; L765-T772 WeakPolarHBondContact CG-OG1 3.43Å; R770-T772 PolarHBondContact O-N 2.65Å | ||
| 773 | S | 49 | Very low | 56.6 | Low | 25 Ų | 25 | 33.5 Ų | 33.5 | 18% | 0.175 | 20% | 0.195 | C | C | . | . | trans | -81.2 | 127.7 | 158.8 | -177.7 | 0 | 0 | 0 | 0 | 107 | S775 A776 S807 | S773-S775 PolarHBondContact O-N 3.31Å; S773-S775 PolarHBondContact OG-OG 3.45Å; S773-A776 WeakPolarHBondContact O-CB 3.31Å; S773-A776 PolarHBondContact O-N 3.09Å; S773-S807 PolarHBondContact OG-OG 3.09Å | ||
| 774 | P | 50.8 | Low | 59.6 | Low | 34 Ų | 34 | 30.7 Ų | 30.7 | 22% | 0.221 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -14.4 | -178.8 | 21.7 | -33.4 | 0 | 0 | 0 | 114.2 | T760 P761 K762 | T760-P774 HydrophobicContact CG2-CB 4.14Å; T760-P774 WeakPolarHBondContact O-CG 3.31Å; P761-P774 WeakPolarHBondContact O-CB 3.25Å; K762-P774 HydrophobicContact CB-CG 4.49Å; K762-P774 HydrophobicContact CG-CG 4.03Å |
| 775 | S | 56.7 | Low | 62.5 | Low | 28 Ų | 28 | 28.4 Ų | 28.4 | 20% | 0.196 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -2.3 | 172.5 | 48.1 | 0 | 0 | 0 | 0 | 114.8 | S773 A779 S807 | S773-S775 PolarHBondContact O-N 3.31Å; S773-S775 PolarHBondContact OG-OG 3.45Å; S775-A779 VanDerWaalsContact O-CB 3.31Å; S775-A779 WeakPolarHBondContact O-CB 3.44Å; S775-A779 PolarHBondContact O-N 3.28Å; S775-A779 VanDerWaalsContact O-N 3.12Å; S775-S807 WeakPolarHBondContact CB-OG 3.37Å; S775-S807 PolarHBondContact O-OG 2.87Å; S775-S807 WeakPolarHBondContact OG-CB 3.28Å; S775-S807 PolarHBondContact OG-OG 3.33Å |
| 776 | A | 69.2 | Low | 65.4 | Low | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.1 | -48.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L345 S773 A779 I780 S807 I811 | L345-A776 HydrophobicContact CD1-CB 4.09Å; S773-A776 WeakPolarHBondContact O-CB 3.31Å; S773-A776 PolarHBondContact O-N 3.09Å; A776-A779 WeakPolarHBondContact O-CB 3.31Å; A776-A779 PolarHBondContact O-N 3.21Å; A776-I780 WeakPolarHBondContact O-CG1 3.49Å; A776-I780 PolarHBondContact O-N 2.89Å; A776-S807 VanDerWaalsContact CA-OG 3.24Å; A776-S807 WeakPolarHBondContact CA-OG 3.27Å; A776-S807 PolarHBondContact N-OG 3.32Å; A776-I811 HydrophobicContact CB-CD1 3.39Å; A776-I811 HydrophobicContact CB-CG1 4.38Å |
| 777 | I | 78.4 | Confident | 68.5 | Low | 5 Ų | 5 | 28.8 Ų | 28.8 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.1 | -47.1 | -175.9 | -75.7 | 166.3 | 0 | 0 | 0 | 111.3 | V343 L345 N723 T726 W727 A779 I780 T781 | V343-I777 WeakPolarHBondContact O-CD1 3.44Å; L345-I777 HydrophobicContact CD1-CG1 3.86Å; L345-I777 HydrophobicContact CG-CG1 4.46Å; N723-I777 WeakPolarHBondContact OD1-CD1 3.28Å; T726-I777 HydrophobicContact CG2-CG2 3.75Å; W727-I777 HydrophobicContact CB-CG2 3.82Å; I777-A779 VanDerWaalsContact C-N 3.28Å; I777-A779 PolarHBondContact O-N 2.87Å; I777-I780 PolarHBondContact O-N 2.75Å; I777-T781 PolarHBondContact O-N 3.26Å; I777-T781 PolarHBondContact O-OG1 3.49Å |
| 778 | P | 83.5 | Confident | 71.6 | Confident | 5 Ų | 5 | 25.6 Ų | 25.6 | 3% | 0.032 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -54.1 | -42.7 | 168.9 | -26.5 | 34 | 0 | 0 | 0 | 113.3 | T726 I754 I755 T781 I782 | T726-P778 HydrophobicContact CG2-CB 4.34Å; T726-P778 HydrophobicContact CG2-CG 4.22Å; I754-P778 HydrophobicContact CG2-CB 4.33Å; I754-P778 HydrophobicContact CG2-CG 3.79Å; I755-P778 HydrophobicContact CB-CB 4.39Å; P778-T781 PolarHBondContact O-N 3.35Å; P778-I782 WeakPolarHBondContact O-CB 3.39Å; P778-I782 VanDerWaalsContact O-CG1 3.26Å; P778-I782 WeakPolarHBondContact O-CG1 3.14Å; P778-I782 PolarHBondContact O-N 2.84Å |
| 779 | A | 87.3 | Confident | 74.7 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.5 | -46.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I755 S775 A776 I777 T781 I782 G783 W804 L808 | I755-A779 HydrophobicContact CD1-CB 3.79Å; S775-A779 VanDerWaalsContact O-CB 3.31Å; S775-A779 WeakPolarHBondContact O-CB 3.44Å; S775-A779 PolarHBondContact O-N 3.28Å; S775-A779 VanDerWaalsContact O-N 3.12Å; A776-A779 WeakPolarHBondContact O-CB 3.31Å; A776-A779 PolarHBondContact O-N 3.21Å; I777-A779 VanDerWaalsContact C-N 3.28Å; I777-A779 PolarHBondContact O-N 2.87Å; A779-T781 PolarHBondContact O-N 2.87Å; A779-I782 PolarHBondContact O-N 3.45Å; A779-G783 PolarHBondContact O-N 3.33Å; A779-W804 VanDerWaalsContact CA-CD1 3.49Å; A779-W804 VanDerWaalsContact CB-CD1 3.48Å; A779-W804 HydrophobicContact CB-CG 4.02Å; A779-W804 VanDerWaalsContact O-CD1 3.31Å; A779-W804 PolarHBondContact O-NE1 3.03Å; A779-L808 HydrophobicContact CB-CD1 4.11Å; A779-L808 HydrophobicContact CB-CD2 3.8Å; A779-L808 HydrophobicContact CB-CG 3.79Å |
| 780 | I | 89.6 | Confident | 77.8 | Confident | 5 Ų | 5 | 21.2 Ų | 21.2 | 3% | 0.026 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.1 | -46.4 | 176.4 | -74.5 | 153.9 | 0 | 0 | 0 | 111.1 | L345 A776 I777 I782 G783 R784 L808 I811 E816 A820 | L345-I780 HydrophobicContact CD1-CD1 3.19Å; L345-I780 HydrophobicContact CD2-CD1 4.47Å; L345-I780 HydrophobicContact CG-CD1 4.45Å; A776-I780 WeakPolarHBondContact O-CG1 3.49Å; A776-I780 PolarHBondContact O-N 2.89Å; I777-I780 PolarHBondContact O-N 2.75Å; I780-I782 PolarHBondContact O-N 2.97Å; I780-G783 WeakPolarHBondContact O-CA 3.43Å; I780-G783 PolarHBondContact O-N 2.91Å; I780-R784 HydrophobicContact CG2-CG 4.35Å; I780-R784 WeakPolarHBondContact O-CG 3.3Å; I780-R784 PolarHBondContact O-N 3.03Å; I780-L808 HydrophobicContact CD1-CD2 4.21Å; I780-L808 HydrophobicContact CG1-CD1 4.48Å; I780-L808 HydrophobicContact CG1-CD2 3.83Å; I780-I811 HydrophobicContact CD1-CD1 4.2Å; I780-E816 HydrophobicContact CD1-CB 4.02Å; I780-E816 HydrophobicContact CG2-CB 4.31Å; I780-A820 HydrophobicContact CB-CB 4.29Å; I780-A820 HydrophobicContact CG1-CB 4.01Å; I780-A820 HydrophobicContact CG2-CB 4.42Å |
| 781 | T | 92.9 | Very high | 80.7 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64 | -42.7 | -179.4 | -64.5 | 0 | 0 | 0 | 0 | 111.9 | T726 I729 L751 I777 P778 A779 G783 R784 L785 | T726-T781 HydrophobicContact CG2-CG2 4.25Å; T726-T781 WeakPolarHBondContact O-CG2 3.42Å; T726-T781 PolarHBondContact O-OG1 2.93Å; I729-T781 HydrophobicContact CB-CG2 4.2Å; I729-T781 HydrophobicContact CG2-CG2 3.89Å; L751-T781 HydrophobicContact CD1-CG2 3.82Å; I777-T781 PolarHBondContact O-N 3.26Å; I777-T781 PolarHBondContact O-OG1 3.49Å; P778-T781 PolarHBondContact O-N 3.35Å; A779-T781 PolarHBondContact O-N 2.87Å; T781-G783 VanDerWaalsContact C-N 3.32Å; T781-G783 PolarHBondContact O-N 3.24Å; T781-R784 PolarHBondContact O-N 3.28Å; T781-L785 HydrophobicContact CG2-CD1 4.2Å; T781-L785 WeakPolarHBondContact O-CB 3.31Å; T781-L785 WeakPolarHBondContact O-CG 3.29Å; T781-L785 PolarHBondContact O-N 3.45Å |
| 782 | I | 93.9 | Very high | 83.5 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.6 | -43.1 | 173.2 | -68.4 | 167.3 | 0 | 0 | 0 | 110.8 | L751 V752 I755 P778 A779 I780 L785 G786 V793 F800 | L751-I782 HydrophobicContact CB-CD1 3.98Å; L751-I782 HydrophobicContact CB-CG1 3.81Å; L751-I782 HydrophobicContact CD1-CG1 4.28Å; V752-I782 HydrophobicContact CG2-CD1 4.33Å; I755-I782 HydrophobicContact CB-CD1 4.45Å; I755-I782 HydrophobicContact CD1-CD1 4.22Å; I755-I782 HydrophobicContact CG2-CD1 4.11Å; P778-I782 WeakPolarHBondContact O-CB 3.39Å; P778-I782 VanDerWaalsContact O-CG1 3.26Å; P778-I782 WeakPolarHBondContact O-CG1 3.14Å; P778-I782 PolarHBondContact O-N 2.84Å; A779-I782 PolarHBondContact O-N 3.45Å; I780-I782 PolarHBondContact O-N 2.97Å; I782-L785 PolarHBondContact O-N 3.43Å; I782-G786 PolarHBondContact O-N 3.36Å; I782-V793 HydrophobicContact CG2-CG1 4.21Å; I782-F800 HydrophobicContact CG2-CD1 4.21Å; I782-F800 HydrophobicContact CG2-CD2 3.92Å; I782-F800 HydrophobicContact CG2-CE1 3.81Å; I782-F800 HydrophobicContact CG2-CE2 3.52Å; I782-F800 HydrophobicContact CG2-CG 4.26Å; I782-F800 HydrophobicContact CG2-CZ 3.46Å; I782-F800 VanDerWaalsContact CG2-CZ 3.46Å |
| 783 | G | 93.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57 | -51.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A779 I780 T781 L785 G786 Y787 G823 | A779-G783 PolarHBondContact O-N 3.33Å; I780-G783 WeakPolarHBondContact O-CA 3.43Å; I780-G783 PolarHBondContact O-N 2.91Å; T781-G783 VanDerWaalsContact C-N 3.32Å; T781-G783 PolarHBondContact O-N 3.24Å; G783-L785 PolarHBondContact O-N 2.92Å; G783-G786 CarbonylContact O-C 3.57Å; G783-G786 PolarHBondContact O-N 2.94Å; G783-G786 VanDerWaalsContact O-N 3.14Å; G783-Y787 PolarHBondContact O-N 2.91Å; G783-G823 VanDerWaalsContact O-CA 3.25Å; G783-G823 WeakPolarHBondContact O-CA 3.44Å |
| 784 | R | 96.3 | Very high | 88.4 | Confident | 12 Ų | 12 | 20.4 Ų | 20.4 | 5% | 0.045 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62 | -40.8 | 178.6 | -70.9 | 174.4 | 166.2 | -178.1 | -7.4 | 112.9 | G730 E731 C733 M734 I780 T781 G786 Y787 V788 S819 | G730-R784 WeakPolarHBondContact O-CD 3.46Å; E731-R784 VanDerWaalsContact CD-NH1 3.27Å; E731-R784 IonicContact OE1-CZ 3.76Å; E731-R784 IonicContact OE1-NH1 2.88Å; E731-R784 PolarHBondContact OE1-NH1 3.15Å; E731-R784 IonicContact OE1-NH2 3.62Å; E731-R784 PolarHBondContact OE1-NH2 2.67Å; E731-R784 IonicContact OE2-NH1 2.81Å; C733-R784 PolarHBondContact SG-O 3.4Å; M734-R784 HydrophobicContact CG-CB 4.27Å; M734-R784 HydrophobicContact CG-CG 3.97Å; M734-R784 HydrophobicContact SD-CB 3.89Å; M734-R784 HydrophobicContact SD-CG 3.69Å; I780-R784 HydrophobicContact CG2-CG 4.35Å; I780-R784 WeakPolarHBondContact O-CG 3.3Å; I780-R784 PolarHBondContact O-N 3.03Å; T781-R784 PolarHBondContact O-N 3.28Å; R784-G786 VanDerWaalsContact C-N 3.33Å; R784-G786 PolarHBondContact O-N 3.02Å; R784-Y787 WeakPolarHBondContact O-CB 3.43Å; R784-Y787 PolarHBondContact O-N 3.13Å; R784-Y787 VanDerWaalsContact O-N 3.13Å; R784-V788 PolarHBondContact O-N 3.17Å; R784-V788 VanDerWaalsContact O-N 3.15Å; R784-S819 PolarHBondContact NE-OG 2.66Å |
| 785 | L | 95.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.7 | -44.6 | 172.9 | -73.6 | 168.1 | 0 | 0 | 0 | 111.3 | C733 M740 V744 V747 L751 T781 I782 G783 Y787 V788 C789 V793 | C733-L785 HydrophobicContact CB-CD2 4.24Å; C733-L785 VanDerWaalsContact SG-CA 3.53Å; M740-L785 HydrophobicContact CE-CD2 3.92Å; M740-L785 HydrophobicContact CG-CD2 4.07Å; V744-L785 HydrophobicContact CG2-CD2 4.27Å; V747-L785 HydrophobicContact CG2-CD1 4Å; L751-L785 HydrophobicContact CD1-CD1 3.62Å; T781-L785 HydrophobicContact CG2-CD1 4.2Å; T781-L785 WeakPolarHBondContact O-CB 3.31Å; T781-L785 WeakPolarHBondContact O-CG 3.29Å; T781-L785 PolarHBondContact O-N 3.45Å; I782-L785 PolarHBondContact O-N 3.43Å; G783-L785 PolarHBondContact O-N 2.92Å; L785-Y787 VanDerWaalsContact C-N 3.28Å; L785-Y787 PolarHBondContact O-N 2.98Å; L785-V788 PolarHBondContact O-N 3.16Å; L785-C789 WeakPolarHBondContact O-CA 3.46Å; L785-C789 PolarHBondContact O-N 2.81Å; L785-V793 HydrophobicContact CB-CG2 3.98Å |
| 786 | G | 96 | Very high | 92.4 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.6 | -26.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | I782 G783 R784 P790 | I782-G786 PolarHBondContact O-N 3.36Å; G783-G786 CarbonylContact O-C 3.57Å; G783-G786 PolarHBondContact O-N 2.94Å; G783-G786 VanDerWaalsContact O-N 3.14Å; R784-G786 VanDerWaalsContact C-N 3.33Å; R784-G786 PolarHBondContact O-N 3.02Å; G786-P790 WeakPolarHBondContact O-CA 3.19Å; G786-P790 VanDerWaalsContact O-CB 3.24Å; G786-P790 WeakPolarHBondContact O-CB 3.46Å; G786-P790 WeakPolarHBondContact O-CD 3.43Å |
| 787 | Y | 96.6 | Very high | 93.6 | Very high | 84 Ų | 84 | 22.7 Ų | 22.7 | 33% | 0.329 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -68.4 | -43.9 | 174.7 | -175.5 | -128.6 | 0 | 0 | 0 | 111.9 | M734 G783 R784 L785 R822 M826 | M734-Y787 HydrophobicContact CE-CD1 3.91Å; M734-Y787 HydrophobicContact CE-CE1 3.96Å; M734-Y787 HydrophobicContact SD-CD1 4.01Å; G783-Y787 PolarHBondContact O-N 2.91Å; R784-Y787 WeakPolarHBondContact O-CB 3.43Å; R784-Y787 PolarHBondContact O-N 3.13Å; R784-Y787 VanDerWaalsContact O-N 3.13Å; L785-Y787 VanDerWaalsContact C-N 3.28Å; L785-Y787 PolarHBondContact O-N 2.98Å; Y787-R822 HydrophobicContact CD2-CB 3.74Å; Y787-R822 HydrophobicContact CE2-CB 3.73Å; Y787-R822 HydrophobicContact CG-CB 4.39Å; Y787-M826 HydrophobicContact CD2-CG 4.13Å; Y787-M826 HydrophobicContact CE2-CG 4.48Å |
| 788 | V | 96.5 | Very high | 94.4 | Very high | 26 Ų | 26 | 27.5 Ų | 27.5 | 16% | 0.158 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -87.9 | -29.8 | -177.5 | -54.4 | 0 | 0 | 0 | 0 | 113.6 | C733 M740 R784 L785 | C733-V788 WeakPolarHBondContact SG-CG2 3.49Å; M740-V788 HydrophobicContact CB-CG2 4.15Å; R784-V788 PolarHBondContact O-N 3.17Å; R784-V788 VanDerWaalsContact O-N 3.15Å; L785-V788 PolarHBondContact O-N 3.16Å |
| 789 | C | 96.6 | Very high | 94.9 | Very high | 11 Ų | 11 | 32.4 Ų | 32.4 | 7% | 0.074 | 16% | 0.161 | C | C | . | . | trans | -133.2 | 59.9 | -176.3 | -72.5 | 0 | 0 | 0 | 0 | 111.4 | V744 L785 Q791 E792 V793 | V744-C789 HydrophobicContact CG2-CB 3.96Å; L785-C789 WeakPolarHBondContact O-CA 3.46Å; L785-C789 PolarHBondContact O-N 2.81Å; C789-Q791 VanDerWaalsContact C-N 3.25Å; C789-Q791 PolarHBondContact O-N 2.64Å; C789-Q791 VanDerWaalsContact O-N 3.16Å; C789-E792 HydrophobicContact CB-CB 4.38Å; C789-E792 HydrophobicContact CB-CG 4.35Å; C789-E792 PolarHBondContact O-N 2.7Å; C789-E792 VanDerWaalsContact O-N 3.1Å; C789-V793 PolarHBondContact O-N 3.35Å | ||
| 790 | P | 96.4 | Very high | 95.1 | Very high | 30 Ų | 30 | 32.4 Ų | 32.4 | 20% | 0.195 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.4 | -31.3 | -172.4 | 23.1 | -34.1 | 0 | 0 | 0 | 113.5 | G786 E792 A794 M826 V830 | G786-P790 WeakPolarHBondContact O-CA 3.19Å; G786-P790 VanDerWaalsContact O-CB 3.24Å; G786-P790 WeakPolarHBondContact O-CB 3.46Å; G786-P790 WeakPolarHBondContact O-CD 3.43Å; P790-E792 VanDerWaalsContact C-N 3.28Å; P790-E792 PolarHBondContact O-N 3.23Å; P790-A794 WeakPolarHBondContact O-CB 3.38Å; P790-A794 PolarHBondContact O-N 3.35Å; P790-M826 HydrophobicContact CB-CB 4.42Å; P790-V830 HydrophobicContact CB-CG2 4Å |
| 791 | Q | 96.3 | Very high | 95.3 | Very high | 132 Ų | 132 | 32.2 Ų | 32.2 | 62% | 0.617 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -66.3 | -30.2 | 179.6 | -60.4 | -60 | -34.2 | 0 | 0 | 113.1 | C789 P795 | C789-Q791 VanDerWaalsContact C-N 3.25Å; C789-Q791 PolarHBondContact O-N 2.64Å; C789-Q791 VanDerWaalsContact O-N 3.16Å; Q791-P795 WeakPolarHBondContact O-CD 3.48Å |
| 792 | E | 96.3 | Very high | 95.2 | Very high | 55 Ų | 55 | 38.9 Ų | 38.9 | 26% | 0.257 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -84 | -35.5 | -178.5 | -61.1 | -67.4 | 162.9 | 0 | 0 | 111.6 | Q741 V744 Q745 C789 P790 | Q741-E792 HydrophobicContact CG-CG 4.02Å; Q741-E792 PolarHBondContact NE2-OE1 3.02Å; V744-E792 HydrophobicContact CB-CB 4.41Å; V744-E792 HydrophobicContact CG1-CB 3.9Å; Q745-E792 PolarHBondContact NE2-OE2 3.25Å; Q745-E792 VanDerWaalsContact NE2-OE2 3.14Å; C789-E792 HydrophobicContact CB-CB 4.38Å; C789-E792 HydrophobicContact CB-CG 4.35Å; C789-E792 PolarHBondContact O-N 2.7Å; C789-E792 VanDerWaalsContact O-N 3.1Å; P790-E792 VanDerWaalsContact C-N 3.28Å; P790-E792 PolarHBondContact O-N 3.23Å |
| 793 | V | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -94.8 | -37.3 | -172.2 | -170.1 | 0 | 0 | 0 | 0 | 113 | V744 L748 I782 L785 C789 P795 M796 F800 M827 | V744-V793 HydrophobicContact CG1-CG2 3.87Å; L748-V793 HydrophobicContact CD1-CG1 3.82Å; L748-V793 HydrophobicContact CD2-CB 4.36Å; L748-V793 HydrophobicContact CD2-CG1 4.22Å; L748-V793 HydrophobicContact CD2-CG2 4.21Å; I782-V793 HydrophobicContact CG2-CG1 4.21Å; L785-V793 HydrophobicContact CB-CG2 3.98Å; C789-V793 PolarHBondContact O-N 3.35Å; V793-P795 VanDerWaalsContact C-N 3.28Å; V793-P795 VanDerWaalsContact O-N 3.14Å; V793-M796 PolarHBondContact O-N 2.97Å; V793-F800 HydrophobicContact CG1-CE1 4.31Å; V793-F800 HydrophobicContact CG1-CZ 4.34Å; V793-M827 HydrophobicContact CB-SD 3.69Å; V793-M827 HydrophobicContact CG1-CE 4.39Å; V793-M827 HydrophobicContact CG1-SD 3.38Å; V793-M827 WeakPolarHBondContact CG1-SD 3.3Å |
| 794 | A | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -55.2 | -30 | -178 | 0 | 0 | 0 | 0 | 0 | 115.4 | P790 M796 L797 M827 V830 N831 | P790-A794 WeakPolarHBondContact O-CB 3.38Å; P790-A794 PolarHBondContact O-N 3.35Å; A794-M796 PolarHBondContact O-N 3.44Å; A794-L797 VanDerWaalsContact O-CB 3.24Å; A794-L797 WeakPolarHBondContact O-CB 3.15Å; A794-L797 PolarHBondContact O-N 3.44Å; A794-M827 HydrophobicContact CB-CB 3.97Å; A794-M827 HydrophobicContact CB-CG 4.1Å; A794-V830 HydrophobicContact CB-CB 4.02Å; A794-V830 HydrophobicContact CB-CG1 3.94Å; A794-N831 HydrophobicContact CB-CB 3.96Å; A794-N831 PolarHBondContact O-ND2 3.48Å |
| 795 | P | 97 | Very high | 94.4 | Very high | 87 Ų | 87 | 39.8 Ų | 39.8 | 57% | 0.565 | 19% | 0.193 | S | C | * | . | G | 310 helix | trans | -58.7 | -26.3 | 173 | -27.3 | 37 | 0 | 0 | 0 | 114.5 | Q791 V793 | Q791-P795 WeakPolarHBondContact O-CD 3.48Å; V793-P795 VanDerWaalsContact C-N 3.28Å; V793-P795 VanDerWaalsContact O-N 3.14Å |
| 796 | M | 95.3 | Very high | 93.9 | Very high | 24 Ų | 24 | 43.1 Ų | 43.1 | 12% | 0.118 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -93.3 | 2.7 | -179.9 | -63.1 | -172.9 | 76.7 | 0 | 0 | 113.7 | L748 V752 V793 A794 Q798 Q799 F800 | L748-M796 HydrophobicContact CD2-CG 4.37Å; L748-M796 HydrophobicContact CD2-SD 3.48Å; L748-M796 WeakPolarHBondContact CD2-SD 3.23Å; L748-M796 HydrophobicContact CG-SD 3.64Å; V752-M796 HydrophobicContact CB-CE 3.96Å; V752-M796 HydrophobicContact CG1-CE 3.96Å; V752-M796 HydrophobicContact CG2-CE 3.81Å; V752-M796 HydrophobicContact CG2-SD 4.38Å; V793-M796 PolarHBondContact O-N 2.97Å; A794-M796 PolarHBondContact O-N 3.44Å; M796-Q798 VanDerWaalsContact C-N 3.28Å; M796-Q798 PolarHBondContact O-N 3.05Å; M796-Q798 VanDerWaalsContact O-N 3.15Å; M796-Q799 VanDerWaalsContact CE-OE1 3.29Å; M796-Q799 WeakPolarHBondContact O-CB 3.32Å; M796-Q799 PolarHBondContact O-N 3.11Å; M796-F800 HydrophobicContact CB-CD1 4.34Å; M796-F800 HydrophobicContact CB-CE1 4.17Å; M796-F800 WeakPolarHBondContact O-CD1 3.44Å; M796-F800 WeakPolarHBondContact O-CE1 3.24Å |
| 797 | L | 94.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -51.5 | -44.1 | -172.1 | -171.6 | 64.4 | 0 | 0 | 0 | 113.3 | A794 Q799 F800 I801 I824 M827 I828 V835 | A794-L797 VanDerWaalsContact O-CB 3.24Å; A794-L797 WeakPolarHBondContact O-CB 3.15Å; A794-L797 PolarHBondContact O-N 3.44Å; L797-Q799 PolarHBondContact O-N 3.48Å; L797-F800 HydrophobicContact CD1-CE2 3.96Å; L797-F800 HydrophobicContact CD1-CZ 3.77Å; L797-F800 PolarHBondContact O-N 3.09Å; L797-I801 HydrophobicContact CD1-CD1 4.25Å; L797-I801 VanDerWaalsContact O-CB 3.27Å; L797-I801 WeakPolarHBondContact O-CB 3.46Å; L797-I801 WeakPolarHBondContact O-CG2 3.32Å; L797-I801 PolarHBondContact O-N 3.05Å; L797-I824 HydrophobicContact CD1-CD1 3.47Å; L797-I824 VanDerWaalsContact CD1-CD1 3.47Å; L797-I824 HydrophobicContact CD1-CG1 4.39Å; L797-M827 HydrophobicContact CD1-CB 4.29Å; L797-I828 HydrophobicContact CD2-CG1 3.88Å; L797-V835 HydrophobicContact CD2-CB 4.33Å |
| 798 | Q | 95 | Very high | 92.7 | Very high | 105 Ų | 105 | 39.2 Ų | 39.2 | 49% | 0.491 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.3 | -24.7 | 179.4 | -168.2 | -180 | 8.7 | 0 | 0 | 113.3 | M796 G834 | M796-Q798 VanDerWaalsContact C-N 3.28Å; M796-Q798 PolarHBondContact O-N 3.05Å; M796-Q798 VanDerWaalsContact O-N 3.15Å; Q798-G834 VanDerWaalsContact CA-O 3.28Å; Q798-G834 WeakPolarHBondContact CA-O 3.27Å; Q798-G834 PolarHBondContact N-O 2.65Å |
| 799 | Q | 93.7 | Very high | 92 | Very high | 109 Ų | 109 | 42.6 Ų | 42.6 | 51% | 0.509 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -80.6 | -22.3 | -176.5 | -58.2 | -177.1 | 20.2 | 0 | 0 | 113.1 | V752 N756 M796 L797 | V752-Q799 HydrophobicContact CG1-CB 3.95Å; N756-Q799 PolarHBondContact ND2-O 3.34Å; N756-Q799 PolarHBondContact OD1-O 2.73Å; M796-Q799 VanDerWaalsContact CE-OE1 3.29Å; M796-Q799 WeakPolarHBondContact O-CB 3.32Å; M796-Q799 PolarHBondContact O-N 3.11Å; L797-Q799 PolarHBondContact O-N 3.48Å |
| 800 | F | 92 | Very high | 91.1 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -128.6 | -12.3 | -174.5 | 68.1 | -102.7 | 0 | 0 | 0 | 114.6 | V752 I755 I782 V793 M796 L797 R802 P803 W804 I824 M827 | V752-F800 HydrophobicContact CG2-CB 4.47Å; V752-F800 HydrophobicContact CG2-CD1 3.89Å; I755-F800 HydrophobicContact CG2-CB 3.9Å; I782-F800 HydrophobicContact CG2-CD1 4.21Å; I782-F800 HydrophobicContact CG2-CD2 3.92Å; I782-F800 HydrophobicContact CG2-CE1 3.81Å; I782-F800 HydrophobicContact CG2-CE2 3.52Å; I782-F800 HydrophobicContact CG2-CG 4.26Å; I782-F800 HydrophobicContact CG2-CZ 3.46Å; I782-F800 VanDerWaalsContact CG2-CZ 3.46Å; V793-F800 HydrophobicContact CG1-CE1 4.31Å; V793-F800 HydrophobicContact CG1-CZ 4.34Å; M796-F800 HydrophobicContact CB-CD1 4.34Å; M796-F800 HydrophobicContact CB-CE1 4.17Å; M796-F800 WeakPolarHBondContact O-CD1 3.44Å; M796-F800 WeakPolarHBondContact O-CE1 3.24Å; L797-F800 HydrophobicContact CD1-CE2 3.96Å; L797-F800 HydrophobicContact CD1-CZ 3.77Å; L797-F800 PolarHBondContact O-N 3.09Å; F800-R802 PolarHBondContact O-N 3.32Å; F800-R802 VanDerWaalsContact O-N 3.16Å; F800-P803 WeakPolarHBondContact O-CD 3.31Å; F800-P803 VanDerWaalsContact O-CG 3.28Å; F800-P803 WeakPolarHBondContact O-CG 3.16Å; F800-W804 HydrophobicContact CD2-CB 3.97Å; F800-W804 HydrophobicContact CD2-CG 4.19Å; F800-W804 HydrophobicContact CE2-CG 4.45Å; F800-W804 WeakPolarHBondContact O-CB 3.4Å; F800-W804 PolarHBondContact O-N 3.24Å; F800-I824 HydrophobicContact CE2-CD1 3.85Å; F800-I824 HydrophobicContact CZ-CD1 4.47Å; F800-M827 HydrophobicContact CE2-CE 4.35Å; F800-M827 HydrophobicContact CZ-CE 3.99Å; F800-M827 HydrophobicContact CZ-SD 3.99Å |
| 801 | I | 94 | Very high | 90.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.2 | -38.4 | -172.6 | -173.8 | 61.7 | 0 | 0 | 0 | 113.1 | L797 W804 C805 I824 V835 D838 | L797-I801 HydrophobicContact CD1-CD1 4.25Å; L797-I801 VanDerWaalsContact O-CB 3.27Å; L797-I801 WeakPolarHBondContact O-CB 3.46Å; L797-I801 WeakPolarHBondContact O-CG2 3.32Å; L797-I801 PolarHBondContact O-N 3.05Å; I801-W804 HydrophobicContact CD1-CE3 4.47Å; I801-C805 WeakPolarHBondContact O-CB 3.15Å; I801-C805 PolarHBondContact O-N 3.1Å; I801-C805 PolarHBondContact O-SG 3.28Å; I801-I824 HydrophobicContact CD1-CD1 3.74Å; I801-I824 HydrophobicContact CD1-CG1 3.75Å; I801-V835 HydrophobicContact CD1-CG2 4.38Å; I801-V835 HydrophobicContact CG1-CG2 3.89Å; I801-D838 HydrophobicContact CG2-CB 4.02Å |
| 802 | R | 90 | Very high | 89.2 | Confident | 141 Ų | 141 | 42.5 Ų | 42.5 | 53% | 0.532 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.9 | -57.7 | -179.7 | -178.6 | 173.7 | 177.4 | -174.5 | 0.1 | 113.2 | F800 W804 C805 T806 F841 | F800-R802 PolarHBondContact O-N 3.32Å; F800-R802 VanDerWaalsContact O-N 3.16Å; R802-W804 VanDerWaalsContact C-N 3.27Å; R802-W804 PolarHBondContact O-N 2.9Å; R802-C805 PolarHBondContact O-N 3.48Å; R802-T806 WeakPolarHBondContact O-CB 3.37Å; R802-T806 PolarHBondContact O-N 3.21Å; R802-T806 PolarHBondContact O-OG1 3.36Å; R802-F841 HydrophobicContact CG-CD1 4.09Å; R802-F841 HydrophobicContact CG-CD2 4Å; R802-F841 HydrophobicContact CG-CE1 3.91Å; R802-F841 HydrophobicContact CG-CE2 3.81Å; R802-F841 HydrophobicContact CG-CG 4.15Å; R802-F841 HydrophobicContact CG-CZ 3.79Å |
| 803 | P | 86.6 | Confident | 88.6 | Confident | 30 Ų | 30 | 42.5 Ų | 42.5 | 20% | 0.195 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.4 | -30.9 | 176 | 27.2 | -36.5 | 0 | 0 | 0 | 112.3 | I755 F800 T806 S807 | I755-P803 HydrophobicContact CG1-CB 4.11Å; I755-P803 HydrophobicContact CG1-CG 4.24Å; I755-P803 HydrophobicContact CG2-CG 4.41Å; I755-P803 WeakPolarHBondContact O-CB 3.17Å; F800-P803 WeakPolarHBondContact O-CD 3.31Å; F800-P803 VanDerWaalsContact O-CG 3.28Å; F800-P803 WeakPolarHBondContact O-CG 3.16Å; P803-T806 PolarHBondContact O-N 2.99Å; P803-S807 VanDerWaalsContact O-CB 3.29Å; P803-S807 WeakPolarHBondContact O-CB 3.25Å; P803-S807 PolarHBondContact O-N 3.19Å |
| 804 | W | 90.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.1 | -51.7 | 174.3 | -173 | 100.7 | 0 | 0 | 0 | 112.5 | I755 A779 F800 I801 R802 T806 S807 L808 A820 F821 I824 | I755-W804 HydrophobicContact CD1-CB 3.9Å; I755-W804 HydrophobicContact CD1-CG 4.49Å; A779-W804 VanDerWaalsContact CA-CD1 3.49Å; A779-W804 VanDerWaalsContact CB-CD1 3.48Å; A779-W804 HydrophobicContact CB-CG 4.02Å; A779-W804 VanDerWaalsContact O-CD1 3.31Å; A779-W804 PolarHBondContact O-NE1 3.03Å; F800-W804 HydrophobicContact CD2-CB 3.97Å; F800-W804 HydrophobicContact CD2-CG 4.19Å; F800-W804 HydrophobicContact CE2-CG 4.45Å; F800-W804 WeakPolarHBondContact O-CB 3.4Å; F800-W804 PolarHBondContact O-N 3.24Å; I801-W804 HydrophobicContact CD1-CE3 4.47Å; R802-W804 VanDerWaalsContact C-N 3.27Å; R802-W804 PolarHBondContact O-N 2.9Å; W804-T806 PolarHBondContact O-N 3.46Å; W804-S807 PolarHBondContact O-N 3.44Å; W804-L808 HydrophobicContact CD2-CD1 3.92Å; W804-L808 HydrophobicContact CD2-CG 4.49Å; W804-L808 HydrophobicContact CE3-CD1 4.26Å; W804-L808 HydrophobicContact CH2-CD1 3.62Å; W804-L808 HydrophobicContact CZ2-CD1 3.25Å; W804-L808 HydrophobicContact CZ3-CD1 4.12Å; W804-L808 PolarHBondContact O-N 2.85Å; W804-A820 HydrophobicContact CZ2-CB 4.07Å; W804-F821 AromaticContact CH2-CD1 3.99Å; W804-F821 HydrophobicContact CH2-CD1 3.99Å; W804-F821 AromaticContact CH2-CD2 3.82Å; W804-F821 HydrophobicContact CH2-CD2 3.82Å; W804-F821 HydrophobicContact CH2-CE1 4.16Å; W804-F821 AromaticContact CH2-CE2 3.99Å; W804-F821 HydrophobicContact CH2-CE2 3.99Å; W804-F821 AromaticContact CH2-CG 3.86Å; W804-F821 HydrophobicContact CH2-CG 3.86Å; W804-F821 HydrophobicContact CH2-CZ 4.18Å; W804-F821 HydrophobicContact CZ3-CD1 4.32Å; W804-F821 HydrophobicContact CZ3-CE1 4.09Å; W804-F821 HydrophobicContact CZ3-CE2 4.33Å; W804-F821 HydrophobicContact CZ3-CZ 4.12Å; W804-I824 HydrophobicContact CD2-CD1 4.21Å; W804-I824 HydrophobicContact CD2-CG1 4.48Å; W804-I824 HydrophobicContact CE3-CD1 4.35Å; W804-I824 HydrophobicContact CE3-CG1 4.18Å; W804-I824 HydrophobicContact CH2-CB 3.62Å; W804-I824 HydrophobicContact CH2-CG1 4.01Å; W804-I824 HydrophobicContact CH2-CG2 3.59Å; W804-I824 HydrophobicContact CZ2-CB 3.84Å; W804-I824 HydrophobicContact CZ2-CD1 4.38Å; W804-I824 HydrophobicContact CZ2-CG1 4.25Å; W804-I824 HydrophobicContact CZ2-CG2 4.3Å; W804-I824 HydrophobicContact CZ3-CB 4.07Å; W804-I824 HydrophobicContact CZ3-CG1 3.96Å; W804-I824 HydrophobicContact CZ3-CG2 3.94Å |
| 805 | C | 90.3 | Very high | 87.4 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.007 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.1 | -43.7 | 177.4 | -76.5 | 0 | 0 | 0 | 0 | 111.7 | I801 R802 S807 L808 R809 F841 A845 | I801-C805 WeakPolarHBondContact O-CB 3.15Å; I801-C805 PolarHBondContact O-N 3.1Å; I801-C805 PolarHBondContact O-SG 3.28Å; R802-C805 PolarHBondContact O-N 3.48Å; C805-S807 PolarHBondContact O-N 2.99Å; C805-L808 PolarHBondContact O-N 3.36Å; C805-R809 WeakPolarHBondContact O-CB 3.34Å; C805-R809 WeakPolarHBondContact O-CG 3.41Å; C805-R809 PolarHBondContact O-N 3.35Å; C805-R809 VanDerWaalsContact O-N 3.12Å; C805-F841 HydrophobicContact CB-CB 3.68Å; C805-F841 WeakPolarHBondContact CB-O 3.41Å; C805-A845 HydrophobicContact CB-CB 3.9Å |
| 806 | T | 85.5 | Confident | 86.9 | Confident | 70 Ų | 70 | 47.9 Ų | 47.9 | 43% | 0.429 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61 | -35.3 | 178.3 | -53.5 | 0 | 0 | 0 | 0 | 111.7 | R802 P803 W804 R809 | R802-T806 WeakPolarHBondContact O-CB 3.37Å; R802-T806 PolarHBondContact O-N 3.21Å; R802-T806 PolarHBondContact O-OG1 3.36Å; P803-T806 PolarHBondContact O-N 2.99Å; W804-T806 PolarHBondContact O-N 3.46Å; T806-R809 VanDerWaalsContact O-CG 3.22Å; T806-R809 WeakPolarHBondContact O-CG 3.38Å |
| 807 | S | 82.8 | Confident | 86.5 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.014 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -76.9 | -46.9 | 179.3 | -166.4 | 0 | 0 | 0 | 0 | 113.2 | S773 S775 A776 P803 W804 C805 | S773-S807 PolarHBondContact OG-OG 3.09Å; S775-S807 WeakPolarHBondContact CB-OG 3.37Å; S775-S807 PolarHBondContact O-OG 2.87Å; S775-S807 WeakPolarHBondContact OG-CB 3.28Å; S775-S807 PolarHBondContact OG-OG 3.33Å; A776-S807 VanDerWaalsContact CA-OG 3.24Å; A776-S807 WeakPolarHBondContact CA-OG 3.27Å; A776-S807 PolarHBondContact N-OG 3.32Å; P803-S807 VanDerWaalsContact O-CB 3.29Å; P803-S807 WeakPolarHBondContact O-CB 3.25Å; P803-S807 PolarHBondContact O-N 3.19Å; W804-S807 PolarHBondContact O-N 3.44Å; C805-S807 PolarHBondContact O-N 2.99Å |
| 808 | L | 83.8 | Confident | 86.5 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -83.9 | -15.4 | -171.2 | -61.5 | -171.1 | 0 | 0 | 0 | 114.3 | A779 I780 W804 C805 N810 I811 K817 A820 F821 | A779-L808 HydrophobicContact CB-CD1 4.11Å; A779-L808 HydrophobicContact CB-CD2 3.8Å; A779-L808 HydrophobicContact CB-CG 3.79Å; I780-L808 HydrophobicContact CD1-CD2 4.21Å; I780-L808 HydrophobicContact CG1-CD1 4.48Å; I780-L808 HydrophobicContact CG1-CD2 3.83Å; W804-L808 HydrophobicContact CD2-CD1 3.92Å; W804-L808 HydrophobicContact CD2-CG 4.49Å; W804-L808 HydrophobicContact CE3-CD1 4.26Å; W804-L808 HydrophobicContact CH2-CD1 3.62Å; W804-L808 HydrophobicContact CZ2-CD1 3.25Å; W804-L808 HydrophobicContact CZ3-CD1 4.12Å; W804-L808 PolarHBondContact O-N 2.85Å; C805-L808 PolarHBondContact O-N 3.36Å; L808-N810 PolarHBondContact O-N 3.34Å; L808-N810 VanDerWaalsContact O-N 3.1Å; L808-I811 HydrophobicContact CD2-CD1 3.38Å; L808-I811 HydrophobicContact CD2-CG1 4.38Å; L808-I811 PolarHBondContact O-N 3.38Å; L808-K817 WeakPolarHBondContact O-CE 3.45Å; L808-A820 HydrophobicContact CD1-CB 3.93Å; L808-F821 HydrophobicContact CB-CE2 3.91Å; L808-F821 HydrophobicContact CB-CZ 4.41Å; L808-F821 HydrophobicContact CD1-CD2 4.47Å; L808-F821 HydrophobicContact CD1-CE2 4.22Å |
| 809 | R | 82.8 | Confident | 86.4 | Confident | 98 Ų | 98 | 42.9 Ų | 42.9 | 37% | 0.37 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -18.9 | 174 | 59.7 | 164.3 | -76.7 | 154.7 | 3.7 | 113.9 | C805 T806 D844 S848 | C805-R809 WeakPolarHBondContact O-CB 3.34Å; C805-R809 WeakPolarHBondContact O-CG 3.41Å; C805-R809 PolarHBondContact O-N 3.35Å; C805-R809 VanDerWaalsContact O-N 3.12Å; T806-R809 VanDerWaalsContact O-CG 3.22Å; T806-R809 WeakPolarHBondContact O-CG 3.38Å; R809-D844 WeakPolarHBondContact CD-OD2 3.14Å; R809-D844 IonicContact CZ-OD1 3.3Å; R809-D844 IonicContact CZ-OD2 3.38Å; R809-D844 IonicContact NE-OD2 3.72Å; R809-D844 IonicContact NH1-OD1 2.7Å; R809-D844 PolarHBondContact NH1-OD1 2.85Å; R809-D844 IonicContact NH1-OD2 2.66Å; R809-D844 PolarHBondContact NH1-OD2 3.02Å; R809-S848 WeakPolarHBondContact O-CB 3.4Å |
| 810 | N | 77.3 | Confident | 86.3 | Confident | 37 Ų | 37 | 37.7 Ų | 37.7 | 20% | 0.198 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -10.7 | -171.4 | -85 | 11.9 | 0 | 0 | 0 | 112.6 | H347 E348 L808 | H347-N810 WeakPolarHBondContact CE1-CB 3.45Å; H347-N810 PolarHBondContact CE1-O 3.48Å; H347-N810 PolarHBondContact ND1-O 3.15Å; E348-N810 PolarHBondContact N-O 3.11Å; L808-N810 PolarHBondContact O-N 3.34Å; L808-N810 VanDerWaalsContact O-N 3.1Å |
| 811 | I | 75.5 | Confident | 86.6 | Confident | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | -84.4 | 142.4 | -178 | -53.2 | -174.8 | 0 | 0 | 0 | 109.8 | L345 A776 I780 L808 K817 | L345-I811 HydrophobicContact CD1-CD1 4.12Å; A776-I811 HydrophobicContact CB-CD1 3.39Å; A776-I811 HydrophobicContact CB-CG1 4.38Å; I780-I811 HydrophobicContact CD1-CD1 4.2Å; L808-I811 HydrophobicContact CD2-CD1 3.38Å; L808-I811 HydrophobicContact CD2-CG1 4.38Å; L808-I811 PolarHBondContact O-N 3.38Å; I811-K817 WeakPolarHBondContact O-CD 3.44Å; I811-K817 WeakPolarHBondContact O-CE 3.41Å; I811-K817 PolarHBondContact O-NZ 3.47Å |
| 812 | R | 77.1 | Confident | 86.7 | Confident | 128 Ų | 128 | 38.6 Ų | 38.6 | 48% | 0.483 | 18% | 0.177 | S | C | . | . | trans | -60 | 151.5 | 173.3 | -65.9 | -175.3 | -169.2 | -169.4 | 0.9 | 111.3 | P346 H347 E348 N814 | P346-R812 PolarHBondContact O-N 3.22Å; H347-R812 PolarHBondContact O-NE 2.97Å; H347-R812 PolarHBondContact O-NH2 3.42Å; E348-R812 HydrophobicContact CG-CG 4.09Å; R812-N814 PolarHBondContact O-N 3.37Å; R812-N814 PolarHBondContact O-OD1 3.27Å | ||
| 813 | D | 83.3 | Confident | 87 | Confident | 55 Ų | 55 | 31.9 Ų | 31.9 | 29% | 0.294 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -66.7 | 108.1 | 175.8 | -67.1 | -6.8 | 0 | 0 | 0 | 110 | K817 W849 V850 S851 | D813-K817 IonicContact OD1-NZ 3.67Å; D813-K817 PolarHBondContact OD1-NZ 3.36Å; D813-W849 HydrophobicContact CB-CE3 3.94Å; D813-W849 HydrophobicContact CB-CZ3 3.81Å; D813-V850 PolarHBondContact OD2-N 3.37Å; D813-S851 PolarHBondContact OD2-N 3.42Å; D813-S851 VanDerWaalsContact OD2-N 3.16Å |
| 814 | N | 83.2 | Confident | 87.5 | Confident | 35 Ų | 35 | 30.5 Ų | 30.5 | 19% | 0.187 | 14% | 0.143 | C | C | . | . | trans | -141.6 | 179.1 | 178.6 | 64.3 | 4.5 | 0 | 0 | 0 | 111.2 | R812 E816 K817 D818 | R812-N814 PolarHBondContact O-N 3.37Å; R812-N814 PolarHBondContact O-OD1 3.27Å; N814-E816 VanDerWaalsContact C-N 3.29Å; N814-E816 PolarHBondContact ND2-OE2 3.42Å; N814-E816 PolarHBondContact O-N 2.97Å; N814-E816 PolarHBondContact OD1-N 2.91Å; N814-E816 PolarHBondContact OD1-OE2 3.4Å; N814-K817 PolarHBondContact O-N 3.5Å; N814-K817 VanDerWaalsContact OD1-CB 3.24Å; N814-K817 WeakPolarHBondContact OD1-CB 3.44Å; N814-K817 PolarHBondContact OD1-N 2.88Å; N814-D818 WeakPolarHBondContact O-CB 3.43Å; N814-D818 PolarHBondContact O-N 2.92Å | ||
| 815 | E | 85.1 | Confident | 87.9 | Confident | 117 Ų | 117 | 30.9 Ų | 30.9 | 55% | 0.547 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -65.8 | -32.1 | -178.5 | -66.7 | -64.4 | 150.4 | 0 | 0 | 112.2 | D818 S819 K853 | E815-D818 PolarHBondContact O-N 3.11Å; E815-S819 WeakPolarHBondContact O-CB 3.3Å; E815-S819 PolarHBondContact O-N 3.15Å; E815-S819 PolarHBondContact O-OG 3.48Å; E815-K853 IonicContact OE1-NZ 3.44Å; E815-K853 PolarHBondContact OE1-NZ 3.34Å; E815-K853 IonicContact OE2-NZ 2.8Å; E815-K853 PolarHBondContact OE2-NZ 3.01Å |
| 816 | E | 86.3 | Confident | 88.2 | Confident | 49 Ų | 49 | 34.6 Ų | 34.6 | 23% | 0.229 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.2 | -50.6 | 175.5 | -64.3 | 76.8 | -171.6 | 0 | 0 | 111.1 | L345 I780 N814 D818 S819 A820 | L345-E816 HydrophobicContact CD2-CB 4.21Å; L345-E816 HydrophobicContact CD2-CG 3.94Å; I780-E816 HydrophobicContact CD1-CB 4.02Å; I780-E816 HydrophobicContact CG2-CB 4.31Å; N814-E816 VanDerWaalsContact C-N 3.29Å; N814-E816 PolarHBondContact ND2-OE2 3.42Å; N814-E816 PolarHBondContact O-N 2.97Å; N814-E816 PolarHBondContact OD1-N 2.91Å; N814-E816 PolarHBondContact OD1-OE2 3.4Å; E816-D818 VanDerWaalsContact C-N 3.35Å; E816-D818 PolarHBondContact O-N 3.48Å; E816-S819 PolarHBondContact O-N 3.12Å; E816-S819 PolarHBondContact O-OG 3.02Å; E816-A820 WeakPolarHBondContact O-CB 3.42Å; E816-A820 PolarHBondContact O-N 3.05Å |
| 817 | K | 88.3 | Confident | 88.7 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.009 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.7 | -44.1 | 175.4 | -163.7 | -173.9 | 178.9 | -179.8 | 0 | 110.5 | L808 I811 D813 N814 S819 A820 F821 S848 W849 | L808-K817 WeakPolarHBondContact O-CE 3.45Å; I811-K817 WeakPolarHBondContact O-CD 3.44Å; I811-K817 WeakPolarHBondContact O-CE 3.41Å; I811-K817 PolarHBondContact O-NZ 3.47Å; D813-K817 IonicContact OD1-NZ 3.67Å; D813-K817 PolarHBondContact OD1-NZ 3.36Å; N814-K817 PolarHBondContact O-N 3.5Å; N814-K817 VanDerWaalsContact OD1-CB 3.24Å; N814-K817 WeakPolarHBondContact OD1-CB 3.44Å; N814-K817 PolarHBondContact OD1-N 2.88Å; K817-S819 PolarHBondContact O-N 3.35Å; K817-A820 PolarHBondContact O-N 3.2Å; K817-F821 HydrophobicContact CD-CE2 4.32Å; K817-F821 HydrophobicContact CG-CD2 3.76Å; K817-F821 HydrophobicContact CG-CE2 3.65Å; K817-F821 VanDerWaalsContact O-CD2 3.28Å; K817-F821 WeakPolarHBondContact O-CD2 3.22Å; K817-F821 PolarHBondContact O-N 2.91Å; K817-S848 PolarHBondContact NZ-OG 3.22Å; K817-S848 VanDerWaalsContact NZ-OG 3.1Å; K817-W849 HydrophobicContact CB-CH2 4.08Å; K817-W849 HydrophobicContact CB-CZ2 4.03Å; K817-W849 HydrophobicContact CD-CH2 4.15Å; K817-W849 HydrophobicContact CD-CZ2 3.8Å; K817-W849 HydrophobicContact CG-CH2 4.04Å; K817-W849 HydrophobicContact CG-CZ2 3.54Å |
| 818 | D | 93 | Very high | 89.4 | Confident | 12 Ų | 12 | 31.6 Ų | 31.6 | 6% | 0.064 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.5 | -51.4 | 178 | 176.8 | 85.7 | 0 | 0 | 0 | 111.3 | N814 E815 E816 A820 F821 R822 W849 L856 | N814-D818 WeakPolarHBondContact O-CB 3.43Å; N814-D818 PolarHBondContact O-N 2.92Å; E815-D818 PolarHBondContact O-N 3.11Å; E816-D818 VanDerWaalsContact C-N 3.35Å; E816-D818 PolarHBondContact O-N 3.48Å; D818-A820 VanDerWaalsContact C-N 3.33Å; D818-A820 PolarHBondContact O-N 3.37Å; D818-F821 PolarHBondContact O-N 3.13Å; D818-R822 WeakPolarHBondContact O-CG 3.45Å; D818-R822 PolarHBondContact O-N 3.3Å; D818-R822 IonicContact OD1-CZ 3.22Å; D818-R822 IonicContact OD1-NE 3.51Å; D818-R822 PolarHBondContact OD1-NE 3.02Å; D818-R822 IonicContact OD1-NH2 3.44Å; D818-R822 PolarHBondContact OD1-NH2 3.48Å; D818-R822 VanDerWaalsContact OD1-NH2 3.15Å; D818-R822 IonicContact OD2-CZ 3.03Å; D818-R822 IonicContact OD2-NE 2.88Å; D818-R822 PolarHBondContact OD2-NE 2.88Å; D818-R822 IonicContact OD2-NH2 2.7Å; D818-R822 PolarHBondContact OD2-NH2 3.24Å; D818-W849 HydrophobicContact CB-CH2 3.9Å; D818-L856 WeakPolarHBondContact OD1-CD2 3.31Å |
| 819 | S | 93 | Very high | 89.9 | Confident | 10 Ų | 10 | 34.6 Ų | 34.6 | 7% | 0.07 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.1 | -39.8 | 178.9 | 66.9 | 0 | 0 | 0 | 0 | 112.9 | R784 E815 E816 K817 R822 G823 | R784-S819 PolarHBondContact NE-OG 2.66Å; E815-S819 WeakPolarHBondContact O-CB 3.3Å; E815-S819 PolarHBondContact O-N 3.15Å; E815-S819 PolarHBondContact O-OG 3.48Å; E816-S819 PolarHBondContact O-N 3.12Å; E816-S819 PolarHBondContact O-OG 3.02Å; K817-S819 PolarHBondContact O-N 3.35Å; S819-R822 PolarHBondContact O-N 3.26Å; S819-G823 PolarHBondContact O-N 3.13Å |
| 820 | A | 93.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.4 | -45.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I780 W804 L808 E816 K817 D818 G823 I824 | I780-A820 HydrophobicContact CB-CB 4.29Å; I780-A820 HydrophobicContact CG1-CB 4.01Å; I780-A820 HydrophobicContact CG2-CB 4.42Å; W804-A820 HydrophobicContact CZ2-CB 4.07Å; L808-A820 HydrophobicContact CD1-CB 3.93Å; E816-A820 WeakPolarHBondContact O-CB 3.42Å; E816-A820 PolarHBondContact O-N 3.05Å; K817-A820 PolarHBondContact O-N 3.2Å; D818-A820 VanDerWaalsContact C-N 3.33Å; D818-A820 PolarHBondContact O-N 3.37Å; A820-G823 WeakPolarHBondContact O-CA 3.24Å; A820-G823 PolarHBondContact O-N 2.7Å; A820-G823 VanDerWaalsContact O-N 3.16Å; A820-I824 PolarHBondContact O-N 2.9Å |
| 821 | F | 96.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -70.5 | -31.1 | 178.8 | -86.9 | -98.7 | 0 | 0 | 0 | 112.7 | W804 L808 K817 D818 G823 I824 C825 A845 V846 W849 L856 F860 | W804-F821 AromaticContact CH2-CD1 3.99Å; W804-F821 HydrophobicContact CH2-CD1 3.99Å; W804-F821 AromaticContact CH2-CD2 3.82Å; W804-F821 HydrophobicContact CH2-CD2 3.82Å; W804-F821 HydrophobicContact CH2-CE1 4.16Å; W804-F821 AromaticContact CH2-CE2 3.99Å; W804-F821 HydrophobicContact CH2-CE2 3.99Å; W804-F821 AromaticContact CH2-CG 3.86Å; W804-F821 HydrophobicContact CH2-CG 3.86Å; W804-F821 HydrophobicContact CH2-CZ 4.18Å; W804-F821 HydrophobicContact CZ3-CD1 4.32Å; W804-F821 HydrophobicContact CZ3-CE1 4.09Å; W804-F821 HydrophobicContact CZ3-CE2 4.33Å; W804-F821 HydrophobicContact CZ3-CZ 4.12Å; L808-F821 HydrophobicContact CB-CE2 3.91Å; L808-F821 HydrophobicContact CB-CZ 4.41Å; L808-F821 HydrophobicContact CD1-CD2 4.47Å; L808-F821 HydrophobicContact CD1-CE2 4.22Å; K817-F821 HydrophobicContact CD-CE2 4.32Å; K817-F821 HydrophobicContact CG-CD2 3.76Å; K817-F821 HydrophobicContact CG-CE2 3.65Å; K817-F821 VanDerWaalsContact O-CD2 3.28Å; K817-F821 WeakPolarHBondContact O-CD2 3.22Å; K817-F821 PolarHBondContact O-N 2.91Å; D818-F821 PolarHBondContact O-N 3.13Å; F821-G823 PolarHBondContact O-N 2.84Å; F821-I824 HydrophobicContact CD1-CG2 4.29Å; F821-I824 WeakPolarHBondContact O-CG2 3.2Å; F821-I824 PolarHBondContact O-N 3.48Å; F821-C825 WeakPolarHBondContact O-CB 3.44Å; F821-C825 PolarHBondContact O-N 2.93Å; F821-C825 PolarHBondContact O-SG 2.92Å; F821-A845 HydrophobicContact CE1-CB 4.02Å; F821-A845 HydrophobicContact CZ-CB 3.91Å; F821-V846 HydrophobicContact CE1-CG2 4.47Å; F821-W849 HydrophobicContact CB-CZ2 4.18Å; F821-W849 AromaticContact CD1-NE1 3.58Å; F821-W849 AromaticContact CD2-CZ2 3.81Å; F821-W849 HydrophobicContact CD2-CZ2 3.81Å; F821-W849 AromaticContact CD2-NE1 3.56Å; F821-W849 AromaticContact CE1-NE1 3.52Å; F821-W849 HydrophobicContact CE2-CZ2 4.36Å; F821-W849 AromaticContact CE2-NE1 3.5Å; F821-W849 HydrophobicContact CG-CZ2 4.06Å; F821-W849 AromaticContact CG-NE1 3.57Å; F821-W849 AromaticContact CZ-NE1 3.46Å; F821-L856 HydrophobicContact CB-CD1 4.19Å; F821-L856 HydrophobicContact CB-CD2 4.23Å; F821-F860 HydrophobicContact CB-CE1 4.19Å; F821-F860 HydrophobicContact CB-CZ 4.01Å; F821-F860 AromaticContact CD1-CE1 3.65Å; F821-F860 HydrophobicContact CD1-CE1 3.65Å; F821-F860 AromaticContact CD1-CZ 3.57Å; F821-F860 HydrophobicContact CD1-CZ 3.57Å; F821-F860 HydrophobicContact CE1-CZ 4.33Å; F821-F860 HydrophobicContact CG-CE1 4.35Å; F821-F860 HydrophobicContact CG-CZ 4.08Å |
| 822 | R | 97.1 | Very high | 92.2 | Very high | 19 Ų | 19 | 36 Ų | 36 | 7% | 0.072 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.5 | -41.6 | 168.4 | -71.4 | 171.8 | -173.9 | -75.8 | -13.2 | 111.2 | Y787 D818 S819 C825 M826 D855 L856 | Y787-R822 HydrophobicContact CD2-CB 3.74Å; Y787-R822 HydrophobicContact CE2-CB 3.73Å; Y787-R822 HydrophobicContact CG-CB 4.39Å; D818-R822 WeakPolarHBondContact O-CG 3.45Å; D818-R822 PolarHBondContact O-N 3.3Å; D818-R822 IonicContact OD1-CZ 3.22Å; D818-R822 IonicContact OD1-NE 3.51Å; D818-R822 PolarHBondContact OD1-NE 3.02Å; D818-R822 IonicContact OD1-NH2 3.44Å; D818-R822 PolarHBondContact OD1-NH2 3.48Å; D818-R822 VanDerWaalsContact OD1-NH2 3.15Å; D818-R822 IonicContact OD2-CZ 3.03Å; D818-R822 IonicContact OD2-NE 2.88Å; D818-R822 PolarHBondContact OD2-NE 2.88Å; D818-R822 IonicContact OD2-NH2 2.7Å; D818-R822 PolarHBondContact OD2-NH2 3.24Å; S819-R822 PolarHBondContact O-N 3.26Å; R822-C825 PolarHBondContact O-N 2.69Å; R822-M826 WeakPolarHBondContact O-CG 3.5Å; R822-M826 PolarHBondContact O-N 3.03Å; R822-D855 IonicContact CZ-OD1 2.98Å; R822-D855 IonicContact CZ-OD2 2.66Å; R822-D855 VanDerWaalsContact CZ-OD2 3.27Å; R822-D855 IonicContact NH1-OD1 3.9Å; R822-D855 IonicContact NH1-OD2 2.74Å; R822-D855 PolarHBondContact NH1-OD2 3.16Å; R822-D855 VanDerWaalsContact NH2-CG 3.28Å; R822-D855 IonicContact NH2-OD1 3.16Å; R822-D855 PolarHBondContact NH2-OD1 3.41Å; R822-D855 IonicContact NH2-OD2 3.23Å; R822-D855 PolarHBondContact NH2-OD2 2.97Å; R822-D855 VanDerWaalsContact NH2-OD2 3.09Å; R822-L856 HydrophobicContact CG-CD1 4Å |
| 823 | G | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.8 | -48.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | G783 S819 A820 F821 C825 M826 M827 | G783-G823 VanDerWaalsContact O-CA 3.25Å; G783-G823 WeakPolarHBondContact O-CA 3.44Å; S819-G823 PolarHBondContact O-N 3.13Å; A820-G823 WeakPolarHBondContact O-CA 3.24Å; A820-G823 PolarHBondContact O-N 2.7Å; A820-G823 VanDerWaalsContact O-N 3.16Å; F821-G823 PolarHBondContact O-N 2.84Å; G823-C825 VanDerWaalsContact C-N 3.3Å; G823-C825 PolarHBondContact O-N 3.08Å; G823-M826 PolarHBondContact O-N 3.32Å; G823-M827 WeakPolarHBondContact O-CG 3.5Å; G823-M827 PolarHBondContact O-N 3.25Å |
| 824 | I | 97.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62 | -40.4 | 177.9 | -148.7 | 64.9 | 0 | 0 | 0 | 111.5 | L797 F800 I801 W804 A820 F821 M826 M827 I828 F842 | L797-I824 HydrophobicContact CD1-CD1 3.47Å; L797-I824 VanDerWaalsContact CD1-CD1 3.47Å; L797-I824 HydrophobicContact CD1-CG1 4.39Å; F800-I824 HydrophobicContact CE2-CD1 3.85Å; F800-I824 HydrophobicContact CZ-CD1 4.47Å; I801-I824 HydrophobicContact CD1-CD1 3.74Å; I801-I824 HydrophobicContact CD1-CG1 3.75Å; W804-I824 HydrophobicContact CD2-CD1 4.21Å; W804-I824 HydrophobicContact CD2-CG1 4.48Å; W804-I824 HydrophobicContact CE3-CD1 4.35Å; W804-I824 HydrophobicContact CE3-CG1 4.18Å; W804-I824 HydrophobicContact CH2-CB 3.62Å; W804-I824 HydrophobicContact CH2-CG1 4.01Å; W804-I824 HydrophobicContact CH2-CG2 3.59Å; W804-I824 HydrophobicContact CZ2-CB 3.84Å; W804-I824 HydrophobicContact CZ2-CD1 4.38Å; W804-I824 HydrophobicContact CZ2-CG1 4.25Å; W804-I824 HydrophobicContact CZ2-CG2 4.3Å; W804-I824 HydrophobicContact CZ3-CB 4.07Å; W804-I824 HydrophobicContact CZ3-CG1 3.96Å; W804-I824 HydrophobicContact CZ3-CG2 3.94Å; A820-I824 PolarHBondContact O-N 2.9Å; F821-I824 HydrophobicContact CD1-CG2 4.29Å; F821-I824 WeakPolarHBondContact O-CG2 3.2Å; F821-I824 PolarHBondContact O-N 3.48Å; I824-M826 PolarHBondContact O-N 2.79Å; I824-M827 HydrophobicContact CD1-CE 3.65Å; I824-M827 PolarHBondContact O-N 2.89Å; I824-I828 HydrophobicContact CG1-CD1 4.34Å; I824-I828 WeakPolarHBondContact O-CB 3.38Å; I824-I828 VanDerWaalsContact O-CG1 3.26Å; I824-I828 WeakPolarHBondContact O-CG1 3.46Å; I824-I828 PolarHBondContact O-N 2.66Å; I824-F842 HydrophobicContact CG2-CD2 4.42Å; I824-F842 HydrophobicContact CG2-CE2 3.78Å |
| 825 | C | 97.5 | Very high | 93.6 | Very high | 8 Ų | 8 | 28.5 Ų | 28.5 | 5% | 0.054 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.5 | -43 | 176.8 | -71.9 | 0 | 0 | 0 | 0 | 112.1 | F821 R822 G823 I828 G829 M859 I863 | F821-C825 WeakPolarHBondContact O-CB 3.44Å; F821-C825 PolarHBondContact O-N 2.93Å; F821-C825 PolarHBondContact O-SG 2.92Å; R822-C825 PolarHBondContact O-N 2.69Å; G823-C825 VanDerWaalsContact C-N 3.3Å; G823-C825 PolarHBondContact O-N 3.08Å; C825-I828 PolarHBondContact O-N 3.46Å; C825-G829 PolarHBondContact O-N 3.32Å; C825-M859 HydrophobicContact CB-CB 4Å; C825-M859 HydrophobicContact CB-SD 3.92Å; C825-I863 HydrophobicContact CB-CD1 3.79Å |
| 826 | M | 96.7 | Very high | 93.7 | Very high | 79 Ų | 79 | 26 Ų | 26 | 39% | 0.389 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64.9 | -42.6 | 176.1 | -71 | -64.9 | -179.8 | 0 | 0 | 111.9 | Y787 P790 R822 G823 I824 G829 V830 M859 | Y787-M826 HydrophobicContact CD2-CG 4.13Å; Y787-M826 HydrophobicContact CE2-CG 4.48Å; P790-M826 HydrophobicContact CB-CB 4.42Å; R822-M826 WeakPolarHBondContact O-CG 3.5Å; R822-M826 PolarHBondContact O-N 3.03Å; G823-M826 PolarHBondContact O-N 3.32Å; I824-M826 PolarHBondContact O-N 2.79Å; M826-G829 PolarHBondContact O-N 3.48Å; M826-V830 PolarHBondContact O-N 3.19Å; M826-V830 VanDerWaalsContact O-N 3.14Å; M826-M859 HydrophobicContact CE-CE 3.86Å |
| 827 | M | 97.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.8 | -42.4 | 176.8 | -73 | -170.6 | -81.4 | 0 | 0 | 112.4 | V793 A794 L797 F800 G823 I824 G829 V830 N831 | V793-M827 HydrophobicContact CB-SD 3.69Å; V793-M827 HydrophobicContact CG1-CE 4.39Å; V793-M827 HydrophobicContact CG1-SD 3.38Å; V793-M827 WeakPolarHBondContact CG1-SD 3.3Å; A794-M827 HydrophobicContact CB-CB 3.97Å; A794-M827 HydrophobicContact CB-CG 4.1Å; L797-M827 HydrophobicContact CD1-CB 4.29Å; F800-M827 HydrophobicContact CE2-CE 4.35Å; F800-M827 HydrophobicContact CZ-CE 3.99Å; F800-M827 HydrophobicContact CZ-SD 3.99Å; G823-M827 WeakPolarHBondContact O-CG 3.5Å; G823-M827 PolarHBondContact O-N 3.25Å; I824-M827 HydrophobicContact CD1-CE 3.65Å; I824-M827 PolarHBondContact O-N 2.89Å; M827-G829 VanDerWaalsContact C-N 3.28Å; M827-G829 PolarHBondContact O-N 2.97Å; M827-V830 PolarHBondContact O-N 3.23Å; M827-V830 VanDerWaalsContact O-N 3.1Å; M827-N831 PolarHBondContact O-N 2.67Å |
| 828 | I | 96.6 | Very high | 93.9 | Very high | 9 Ų | 9 | 32 Ų | 32 | 5% | 0.046 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.7 | -39.1 | 174.2 | -69.1 | 165.9 | 0 | 0 | 0 | 110.3 | L797 I824 C825 V830 N831 P832 V835 F842 I863 | L797-I828 HydrophobicContact CD2-CG1 3.88Å; I824-I828 HydrophobicContact CG1-CD1 4.34Å; I824-I828 WeakPolarHBondContact O-CB 3.38Å; I824-I828 VanDerWaalsContact O-CG1 3.26Å; I824-I828 WeakPolarHBondContact O-CG1 3.46Å; I824-I828 PolarHBondContact O-N 2.66Å; C825-I828 PolarHBondContact O-N 3.46Å; I828-V830 PolarHBondContact O-N 3.46Å; I828-N831 CarbonylContact O-C 3.59Å; I828-N831 PolarHBondContact O-N 3.45Å; I828-P832 VanDerWaalsContact O-CA 3.28Å; I828-P832 WeakPolarHBondContact O-CA 3.45Å; I828-P832 WeakPolarHBondContact O-CD 3.49Å; I828-P832 WeakPolarHBondContact O-CG 3.26Å; I828-V835 HydrophobicContact CD1-CG1 4.31Å; I828-V835 HydrophobicContact CD1-CG2 4.44Å; I828-V835 HydrophobicContact CG1-CB 4.33Å; I828-V835 HydrophobicContact CG1-CG1 4.01Å; I828-V835 HydrophobicContact CG2-CG1 4.06Å; I828-F842 HydrophobicContact CD1-CD2 3.88Å; I828-F842 HydrophobicContact CD1-CE1 4.47Å; I828-F842 HydrophobicContact CD1-CE2 3.71Å; I828-F842 HydrophobicContact CD1-CG 4.34Å; I828-F842 HydrophobicContact CD1-CZ 4.02Å; I828-I863 HydrophobicContact CB-CD1 4.2Å; I828-I863 HydrophobicContact CD1-CD1 4.22Å; I828-I863 HydrophobicContact CD1-CG2 4.48Å; I828-I863 HydrophobicContact CG2-CD1 4.12Å; I828-I863 HydrophobicContact CG2-CG1 4.18Å; I828-I863 HydrophobicContact CG2-CG2 3.97Å |
| 829 | G | 94.3 | Very high | 93.9 | Very high | 63 Ų | 63 | 31.5 Ų | 31.5 | 65% | 0.649 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -60.6 | -31.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | C825 M826 M827 | C825-G829 PolarHBondContact O-N 3.32Å; M826-G829 PolarHBondContact O-N 3.48Å; M827-G829 VanDerWaalsContact C-N 3.28Å; M827-G829 PolarHBondContact O-N 2.97Å |
| 830 | V | 96 | Very high | 93.8 | Very high | 57 Ų | 57 | 33.3 Ų | 33.3 | 35% | 0.345 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -84.5 | -41.7 | 177.7 | 173.3 | 0 | 0 | 0 | 0 | 112.4 | P790 A794 M826 M827 I828 | P790-V830 HydrophobicContact CB-CG2 4Å; A794-V830 HydrophobicContact CB-CB 4.02Å; A794-V830 HydrophobicContact CB-CG1 3.94Å; M826-V830 PolarHBondContact O-N 3.19Å; M826-V830 VanDerWaalsContact O-N 3.14Å; M827-V830 PolarHBondContact O-N 3.23Å; M827-V830 VanDerWaalsContact O-N 3.1Å; I828-V830 PolarHBondContact O-N 3.46Å |
| 831 | N | 95.3 | Very high | 93.7 | Very high | 52 Ų | 52 | 35.6 Ų | 35.6 | 28% | 0.278 | 22% | 0.216 | S | C | . | . | trans | -131.9 | 74.8 | -179.6 | -177.2 | 17.3 | 0 | 0 | 0 | 111.7 | A794 M827 I828 G833 G834 | A794-N831 HydrophobicContact CB-CB 3.96Å; A794-N831 PolarHBondContact O-ND2 3.48Å; M827-N831 PolarHBondContact O-N 2.67Å; I828-N831 CarbonylContact O-C 3.59Å; I828-N831 PolarHBondContact O-N 3.45Å; N831-G833 PolarHBondContact O-N 3.3Å; N831-G834 PolarHBondContact O-N 3.06Å; N831-G834 VanDerWaalsContact O-N 3.12Å; N831-G834 PolarHBondContact OD1-N 3.44Å | ||
| 832 | P | 91.9 | Very high | 93.6 | Very high | 62 Ų | 62 | 35.6 Ų | 35.6 | 40% | 0.403 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -60.6 | -31.8 | 179.5 | -20.9 | 29.4 | 0 | 0 | 0 | 112.6 | I828 G834 V835 V836 | I828-P832 VanDerWaalsContact O-CA 3.28Å; I828-P832 WeakPolarHBondContact O-CA 3.45Å; I828-P832 WeakPolarHBondContact O-CD 3.49Å; I828-P832 WeakPolarHBondContact O-CG 3.26Å; P832-G834 PolarHBondContact O-N 2.99Å; P832-G834 VanDerWaalsContact O-N 3.16Å; P832-V835 WeakPolarHBondContact O-CG1 3.27Å; P832-V835 PolarHBondContact O-N 3.37Å; P832-V836 WeakPolarHBondContact O-CG2 3.48Å |
| 833 | G | 90.9 | Very high | 93.5 | Very high | 52 Ų | 52 | 34.7 Ų | 34.7 | 54% | 0.536 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -60.5 | -24 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N831 V835 | N831-G833 PolarHBondContact O-N 3.3Å; G833-V835 VanDerWaalsContact C-N 3.32Å; G833-V835 PolarHBondContact O-N 2.91Å |
| 834 | G | 90.2 | Very high | 93.2 | Very high | 5 Ų | 5 | 36.2 Ų | 36.2 | 5% | 0.052 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -72.2 | -17.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q798 N831 P832 | Q798-G834 VanDerWaalsContact CA-O 3.28Å; Q798-G834 WeakPolarHBondContact CA-O 3.27Å; Q798-G834 PolarHBondContact N-O 2.65Å; N831-G834 PolarHBondContact O-N 3.06Å; N831-G834 VanDerWaalsContact O-N 3.12Å; N831-G834 PolarHBondContact OD1-N 3.44Å; P832-G834 PolarHBondContact O-N 2.99Å; P832-G834 VanDerWaalsContact O-N 3.16Å |
| 835 | V | 92.2 | Very high | 92.9 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -11.9 | -178.6 | 66.4 | 0 | 0 | 0 | 0 | 113.7 | L797 I801 I828 P832 G833 Q837 D838 F839 F842 | L797-V835 HydrophobicContact CD2-CB 4.33Å; I801-V835 HydrophobicContact CD1-CG2 4.38Å; I801-V835 HydrophobicContact CG1-CG2 3.89Å; I828-V835 HydrophobicContact CD1-CG1 4.31Å; I828-V835 HydrophobicContact CD1-CG2 4.44Å; I828-V835 HydrophobicContact CG1-CB 4.33Å; I828-V835 HydrophobicContact CG1-CG1 4.01Å; I828-V835 HydrophobicContact CG2-CG1 4.06Å; P832-V835 WeakPolarHBondContact O-CG1 3.27Å; P832-V835 PolarHBondContact O-N 3.37Å; G833-V835 VanDerWaalsContact C-N 3.32Å; G833-V835 PolarHBondContact O-N 2.91Å; V835-Q837 VanDerWaalsContact C-N 3.31Å; V835-Q837 PolarHBondContact O-N 3.19Å; V835-D838 CarbonylContact O-C 3.36Å; V835-D838 PolarHBondContact O-N 3.12Å; V835-D838 VanDerWaalsContact O-N 3.08Å; V835-F839 HydrophobicContact CG1-CD2 4.21Å; V835-F839 HydrophobicContact CG2-CD2 4.09Å; V835-F839 WeakPolarHBondContact O-CA 3.41Å; V835-F839 PolarHBondContact O-N 3.36Å; V835-F842 HydrophobicContact CG2-CB 4.1Å |
| 836 | V | 88.3 | Confident | 92.8 | Very high | 63 Ų | 63 | 35.9 Ų | 35.9 | 38% | 0.382 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -56.5 | -40.7 | -170.2 | 173.5 | 0 | 0 | 0 | 0 | 113.3 | P832 D838 F867 | P832-V836 WeakPolarHBondContact O-CG2 3.48Å; V836-D838 VanDerWaalsContact C-N 3.34Å; V836-F867 HydrophobicContact CB-CE2 4.37Å; V836-F867 HydrophobicContact CG1-CE2 4.12Å; V836-F867 HydrophobicContact CG2-CE2 4.27Å |
| 837 | Q | 87.7 | Confident | 92.5 | Very high | 149 Ų | 149 | 32.5 Ų | 32.5 | 70% | 0.696 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -71.3 | -29 | -177.7 | -67.7 | -174.5 | -12.1 | 0 | 0 | 113.2 | V835 | V835-Q837 VanDerWaalsContact C-N 3.31Å; V835-Q837 PolarHBondContact O-N 3.19Å |
| 838 | D | 90.9 | Very high | 92.1 | Very high | 29 Ų | 29 | 33.1 Ų | 33.1 | 16% | 0.155 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -116.6 | 21.7 | -173.8 | -67.6 | -69.8 | 0 | 0 | 0 | 111.7 | I801 V835 V836 I840 F841 | I801-D838 HydrophobicContact CG2-CB 4.02Å; V835-D838 CarbonylContact O-C 3.36Å; V835-D838 PolarHBondContact O-N 3.12Å; V835-D838 VanDerWaalsContact O-N 3.08Å; V836-D838 VanDerWaalsContact C-N 3.34Å; D838-I840 PolarHBondContact O-N 3.34Å; D838-F841 HydrophobicContact CB-CD2 3.93Å; D838-F841 WeakPolarHBondContact O-CB 3.3Å; D838-F841 PolarHBondContact O-N 2.79Å |
| 839 | F | 92.1 | Very high | 91.8 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.009 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.4 | -27.6 | -172.1 | -167.3 | -105.6 | 0 | 0 | 0 | 113.3 | V835 F841 F842 C843 I863 L864 F867 W876 F879 | V835-F839 HydrophobicContact CG1-CD2 4.21Å; V835-F839 HydrophobicContact CG2-CD2 4.09Å; V835-F839 WeakPolarHBondContact O-CA 3.41Å; V835-F839 PolarHBondContact O-N 3.36Å; F839-F841 VanDerWaalsContact C-N 3.27Å; F839-F841 PolarHBondContact O-N 2.91Å; F839-F842 HydrophobicContact CD2-CD1 4.39Å; F839-F842 AromaticContact CE2-CD1 3.86Å; F839-F842 HydrophobicContact CE2-CD1 3.86Å; F839-F842 HydrophobicContact CE2-CE1 4.47Å; F839-F842 HydrophobicContact CZ-CD1 4.23Å; F839-F842 WeakPolarHBondContact O-CB 3.32Å; F839-F842 PolarHBondContact O-N 3.34Å; F839-F842 VanDerWaalsContact O-N 3.12Å; F839-C843 WeakPolarHBondContact CE1-SG 3.46Å; F839-C843 PolarHBondContact O-N 3.45Å; F839-C843 PolarHBondContact O-SG 3.45Å; F839-I863 HydrophobicContact CE2-CG2 3.96Å; F839-I863 HydrophobicContact CZ-CG2 4.34Å; F839-L864 HydrophobicContact CE1-CD2 4.23Å; F839-L864 HydrophobicContact CZ-CD2 4.07Å; F839-F867 HydrophobicContact CB-CD2 4.45Å; F839-F867 HydrophobicContact CB-CE1 4.43Å; F839-F867 HydrophobicContact CB-CE2 3.91Å; F839-F867 HydrophobicContact CB-CZ 3.89Å; F839-F867 HydrophobicContact CD1-CB 4.39Å; F839-F867 AromaticContact CD1-CD1 3.48Å; F839-F867 HydrophobicContact CD1-CD1 3.48Å; F839-F867 VanDerWaalsContact CD1-CD1 3.48Å; F839-F867 AromaticContact CD1-CD2 3.98Å; F839-F867 HydrophobicContact CD1-CD2 3.98Å; F839-F867 AromaticContact CD1-CE1 3.57Å; F839-F867 HydrophobicContact CD1-CE1 3.57Å; F839-F867 HydrophobicContact CD1-CE2 4.07Å; F839-F867 AromaticContact CD1-CG 3.68Å; F839-F867 HydrophobicContact CD1-CG 3.68Å; F839-F867 AromaticContact CD1-CZ 3.87Å; F839-F867 HydrophobicContact CD1-CZ 3.87Å; F839-F867 AromaticContact CD2-CD2 3.72Å; F839-F867 HydrophobicContact CD2-CD2 3.72Å; F839-F867 HydrophobicContact CD2-CE2 4.02Å; F839-F867 HydrophobicContact CD2-CG 4.04Å; F839-F867 HydrophobicContact CE1-CB 3.69Å; F839-F867 AromaticContact CE1-CD1 3.43Å; F839-F867 HydrophobicContact CE1-CD1 3.43Å; F839-F867 VanDerWaalsContact CE1-CD1 3.43Å; F839-F867 HydrophobicContact CE1-CD2 4.13Å; F839-F867 HydrophobicContact CE1-CE1 4.03Å; F839-F867 AromaticContact CE1-CG 3.47Å; F839-F867 HydrophobicContact CE1-CG 3.47Å; F839-F867 VanDerWaalsContact CE1-CG 3.47Å; F839-F867 HydrophobicContact CE2-CB 3.84Å; F839-F867 AromaticContact CE2-CD2 3.88Å; F839-F867 HydrophobicContact CE2-CD2 3.88Å; F839-F867 AromaticContact CE2-CG 3.86Å; F839-F867 HydrophobicContact CE2-CG 3.86Å; F839-F867 HydrophobicContact CG-CD1 4.13Å; F839-F867 AromaticContact CG-CD2 3.78Å; F839-F867 HydrophobicContact CG-CD2 3.78Å; F839-F867 HydrophobicContact CG-CE1 4.07Å; F839-F867 AromaticContact CG-CE2 3.73Å; F839-F867 HydrophobicContact CG-CE2 3.73Å; F839-F867 AromaticContact CG-CG 3.97Å; F839-F867 HydrophobicContact CG-CG 3.97Å; F839-F867 AromaticContact CG-CZ 3.87Å; F839-F867 HydrophobicContact CG-CZ 3.87Å; F839-F867 HydrophobicContact CZ-CB 3.37Å; F839-F867 HydrophobicContact CZ-CD1 4.04Å; F839-F867 HydrophobicContact CZ-CD2 4.08Å; F839-F867 AromaticContact CZ-CG 3.57Å; F839-F867 HydrophobicContact CZ-CG 3.57Å; F839-W876 HydrophobicContact CD1-CZ3 4.4Å; F839-W876 HydrophobicContact CE1-CH2 4.27Å; F839-W876 AromaticContact CE1-CZ3 3.94Å; F839-W876 HydrophobicContact CE1-CZ3 3.94Å; F839-F879 HydrophobicContact CB-CZ 4.26Å; F839-F879 AromaticContact CD1-CE1 3.9Å; F839-F879 HydrophobicContact CD1-CE1 3.9Å; F839-F879 HydrophobicContact CD1-CZ 4.15Å |
| 840 | I | 91.4 | Very high | 91.5 | Very high | 48 Ų | 48 | 34.2 Ų | 34.2 | 25% | 0.246 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.2 | -36.5 | 175.6 | -171.5 | 164.9 | 0 | 0 | 0 | 112.2 | D838 F842 C843 D844 F879 F883 | D838-I840 PolarHBondContact O-N 3.34Å; I840-F842 VanDerWaalsContact C-N 3.34Å; I840-C843 WeakPolarHBondContact O-CB 3.48Å; I840-C843 PolarHBondContact O-N 3.18Å; I840-D844 WeakPolarHBondContact O-CB 3.47Å; I840-D844 PolarHBondContact O-N 2.82Å; I840-F879 HydrophobicContact CB-CE2 4.27Å; I840-F879 HydrophobicContact CB-CZ 3.87Å; I840-F883 HydrophobicContact CB-CE1 4.42Å; I840-F883 HydrophobicContact CD1-CD1 3.92Å; I840-F883 HydrophobicContact CD1-CE1 4.03Å; I840-F883 HydrophobicContact CG1-CD1 4.03Å; I840-F883 HydrophobicContact CG1-CE1 3.79Å |
| 841 | F | 91.5 | Very high | 91.1 | Very high | 47 Ų | 47 | 36.1 Ų | 36.1 | 21% | 0.206 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.2 | -37 | 177 | -67.9 | -84.8 | 0 | 0 | 0 | 111.1 | R802 C805 D838 F839 D844 A845 | R802-F841 HydrophobicContact CG-CD1 4.09Å; R802-F841 HydrophobicContact CG-CD2 4Å; R802-F841 HydrophobicContact CG-CE1 3.91Å; R802-F841 HydrophobicContact CG-CE2 3.81Å; R802-F841 HydrophobicContact CG-CG 4.15Å; R802-F841 HydrophobicContact CG-CZ 3.79Å; C805-F841 HydrophobicContact CB-CB 3.68Å; C805-F841 WeakPolarHBondContact CB-O 3.41Å; D838-F841 HydrophobicContact CB-CD2 3.93Å; D838-F841 WeakPolarHBondContact O-CB 3.3Å; D838-F841 PolarHBondContact O-N 2.79Å; F839-F841 VanDerWaalsContact C-N 3.27Å; F839-F841 PolarHBondContact O-N 2.91Å; F841-D844 PolarHBondContact O-N 2.83Å; F841-A845 WeakPolarHBondContact O-CB 3.23Å; F841-A845 PolarHBondContact O-N 3.3Å |
| 842 | F | 94.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.8 | -44.5 | 173.9 | 179.2 | -102.3 | 0 | 0 | 0 | 111.8 | I824 I828 V835 F839 I840 D844 A845 V846 F860 I863 | I824-F842 HydrophobicContact CG2-CD2 4.42Å; I824-F842 HydrophobicContact CG2-CE2 3.78Å; I828-F842 HydrophobicContact CD1-CD2 3.88Å; I828-F842 HydrophobicContact CD1-CE1 4.47Å; I828-F842 HydrophobicContact CD1-CE2 3.71Å; I828-F842 HydrophobicContact CD1-CG 4.34Å; I828-F842 HydrophobicContact CD1-CZ 4.02Å; V835-F842 HydrophobicContact CG2-CB 4.1Å; F839-F842 HydrophobicContact CD2-CD1 4.39Å; F839-F842 AromaticContact CE2-CD1 3.86Å; F839-F842 HydrophobicContact CE2-CD1 3.86Å; F839-F842 HydrophobicContact CE2-CE1 4.47Å; F839-F842 HydrophobicContact CZ-CD1 4.23Å; F839-F842 WeakPolarHBondContact O-CB 3.32Å; F839-F842 PolarHBondContact O-N 3.34Å; F839-F842 VanDerWaalsContact O-N 3.12Å; I840-F842 VanDerWaalsContact C-N 3.34Å; F842-D844 VanDerWaalsContact C-N 3.32Å; F842-D844 PolarHBondContact O-N 2.87Å; F842-A845 PolarHBondContact O-N 3.19Å; F842-V846 HydrophobicContact CD1-CG2 4.22Å; F842-V846 HydrophobicContact CD2-CG2 4.33Å; F842-V846 HydrophobicContact CE1-CG2 3.73Å; F842-V846 HydrophobicContact CE2-CG2 3.84Å; F842-V846 HydrophobicContact CG-CG2 4.5Å; F842-V846 HydrophobicContact CZ-CG2 3.53Å; F842-V846 WeakPolarHBondContact O-CG2 3.13Å; F842-V846 PolarHBondContact O-N 3.32Å; F842-F860 HydrophobicContact CZ-CD1 4.25Å; F842-I863 HydrophobicContact CD1-CG2 4.22Å; F842-I863 HydrophobicContact CE1-CB 4.19Å; F842-I863 HydrophobicContact CE1-CG2 3.51Å; F842-I863 HydrophobicContact CZ-CB 4.49Å; F842-I863 HydrophobicContact CZ-CD1 4.09Å; F842-I863 HydrophobicContact CZ-CG2 4.07Å |
| 843 | C | 93.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.6 | -47.2 | 174.8 | -71.7 | 0 | 0 | 0 | 0 | 112.2 | F839 I840 V846 A847 F883 L891 | F839-C843 WeakPolarHBondContact CE1-SG 3.46Å; F839-C843 PolarHBondContact O-N 3.45Å; F839-C843 PolarHBondContact O-SG 3.45Å; I840-C843 WeakPolarHBondContact O-CB 3.48Å; I840-C843 PolarHBondContact O-N 3.18Å; C843-V846 PolarHBondContact O-N 3.08Å; C843-A847 WeakPolarHBondContact O-CB 3.47Å; C843-A847 PolarHBondContact O-N 3.34Å; C843-F883 HydrophobicContact CB-CE2 4.47Å; C843-F883 HydrophobicContact CB-CZ 4.06Å; C843-L891 HydrophobicContact CB-CD1 3.87Å |
| 844 | D | 90.6 | Very high | 91 | Very high | 33 Ų | 33 | 39 Ų | 39 | 18% | 0.176 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.6 | -43.9 | 178.1 | 177.9 | 56.7 | 0 | 0 | 0 | 112.5 | R809 I840 F841 F842 V846 A847 S848 L887 | R809-D844 WeakPolarHBondContact CD-OD2 3.14Å; R809-D844 IonicContact CZ-OD1 3.3Å; R809-D844 IonicContact CZ-OD2 3.38Å; R809-D844 IonicContact NE-OD2 3.72Å; R809-D844 IonicContact NH1-OD1 2.7Å; R809-D844 PolarHBondContact NH1-OD1 2.85Å; R809-D844 IonicContact NH1-OD2 2.66Å; R809-D844 PolarHBondContact NH1-OD2 3.02Å; I840-D844 WeakPolarHBondContact O-CB 3.47Å; I840-D844 PolarHBondContact O-N 2.82Å; F841-D844 PolarHBondContact O-N 2.83Å; F842-D844 VanDerWaalsContact C-N 3.32Å; F842-D844 PolarHBondContact O-N 2.87Å; D844-V846 PolarHBondContact O-N 3.47Å; D844-A847 PolarHBondContact O-N 3.4Å; D844-S848 PolarHBondContact O-N 2.95Å; D844-S848 VanDerWaalsContact O-N 3.14Å; D844-L887 HydrophobicContact CB-CD1 4.43Å; D844-L887 HydrophobicContact CB-CD2 4.06Å |
| 845 | A | 90.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.1 | -39.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | C805 F821 F841 F842 S848 | C805-A845 HydrophobicContact CB-CB 3.9Å; F821-A845 HydrophobicContact CE1-CB 4.02Å; F821-A845 HydrophobicContact CZ-CB 3.91Å; F841-A845 WeakPolarHBondContact O-CB 3.23Å; F841-A845 PolarHBondContact O-N 3.3Å; F842-A845 PolarHBondContact O-N 3.19Å; A845-S848 WeakPolarHBondContact O-CB 3.32Å; A845-S848 PolarHBondContact O-N 3.08Å; A845-S848 PolarHBondContact O-OG 2.85Å |
| 846 | V | 94.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.9 | -41.4 | 174.3 | 168.3 | 0 | 0 | 0 | 0 | 111.1 | F821 F842 C843 D844 S848 W849 F860 L864 L891 Y895 | F821-V846 HydrophobicContact CE1-CG2 4.47Å; F842-V846 HydrophobicContact CD1-CG2 4.22Å; F842-V846 HydrophobicContact CD2-CG2 4.33Å; F842-V846 HydrophobicContact CE1-CG2 3.73Å; F842-V846 HydrophobicContact CE2-CG2 3.84Å; F842-V846 HydrophobicContact CG-CG2 4.5Å; F842-V846 HydrophobicContact CZ-CG2 3.53Å; F842-V846 WeakPolarHBondContact O-CG2 3.13Å; F842-V846 PolarHBondContact O-N 3.32Å; C843-V846 PolarHBondContact O-N 3.08Å; D844-V846 PolarHBondContact O-N 3.47Å; V846-S848 PolarHBondContact O-N 2.78Å; V846-W849 WeakPolarHBondContact O-CB 3.27Å; V846-W849 PolarHBondContact O-N 2.85Å; V846-W849 VanDerWaalsContact O-N 3.17Å; V846-F860 HydrophobicContact CG1-CB 3.96Å; V846-F860 HydrophobicContact CG1-CD1 4.33Å; V846-F860 HydrophobicContact CG1-CD2 3.76Å; V846-F860 HydrophobicContact CG1-CE2 4.27Å; V846-F860 HydrophobicContact CG1-CG 3.78Å; V846-F860 HydrophobicContact CG2-CD1 3.7Å; V846-F860 HydrophobicContact CG2-CD2 4.46Å; V846-F860 HydrophobicContact CG2-CE1 3.9Å; V846-F860 HydrophobicContact CG2-CG 4.01Å; V846-F860 HydrophobicContact CG2-CZ 4.32Å; V846-L864 HydrophobicContact CG1-CD1 4.4Å; V846-L891 HydrophobicContact CG1-CD2 4.41Å; V846-Y895 HydrophobicContact CG1-CD2 4.37Å; V846-Y895 HydrophobicContact CG1-CE2 3.61Å |
| 847 | A | 91.4 | Very high | 91.6 | Very high | 8 Ų | 8 | 43.9 Ų | 43.9 | 7% | 0.066 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70.2 | -13 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | C843 D844 W849 L887 R890 L891 | C843-A847 WeakPolarHBondContact O-CB 3.47Å; C843-A847 PolarHBondContact O-N 3.34Å; D844-A847 PolarHBondContact O-N 3.4Å; A847-W849 PolarHBondContact O-N 3.1Å; A847-L887 HydrophobicContact CB-CD1 3.16Å; A847-R890 HydrophobicContact CB-CB 4.29Å; A847-R890 VanDerWaalsContact O-CD 3.27Å; A847-R890 WeakPolarHBondContact O-CD 3.42Å; A847-R890 PolarHBondContact O-NH1 3.33Å; A847-L891 HydrophobicContact CB-CD2 4.1Å; A847-L891 HydrophobicContact CB-CG 4.24Å |
| 848 | S | 89.6 | Confident | 91.9 | Very high | 14 Ų | 14 | 41.3 Ų | 41.3 | 10% | 0.098 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -23.1 | 171 | 76.3 | 0 | 0 | 0 | 0 | 113.1 | R809 K817 D844 A845 V846 V850 | R809-S848 WeakPolarHBondContact O-CB 3.4Å; K817-S848 PolarHBondContact NZ-OG 3.22Å; K817-S848 VanDerWaalsContact NZ-OG 3.1Å; D844-S848 PolarHBondContact O-N 2.95Å; D844-S848 VanDerWaalsContact O-N 3.14Å; A845-S848 WeakPolarHBondContact O-CB 3.32Å; A845-S848 PolarHBondContact O-N 3.08Å; A845-S848 PolarHBondContact O-OG 2.85Å; V846-S848 PolarHBondContact O-N 2.78Å; S848-V850 PolarHBondContact O-N 2.93Å |
| 849 | W | 90.2 | Very high | 92.2 | Very high | 10 Ų | 10 | 41.9 Ų | 41.9 | 4% | 0.038 | 22% | 0.221 | C | C | . | . | trans | -69 | 130.7 | 179.4 | -76.2 | 85.8 | 0 | 0 | 0 | 111.3 | D813 K817 D818 F821 V846 A847 P852 L856 F860 | D813-W849 HydrophobicContact CB-CE3 3.94Å; D813-W849 HydrophobicContact CB-CZ3 3.81Å; K817-W849 HydrophobicContact CB-CH2 4.08Å; K817-W849 HydrophobicContact CB-CZ2 4.03Å; K817-W849 HydrophobicContact CD-CH2 4.15Å; K817-W849 HydrophobicContact CD-CZ2 3.8Å; K817-W849 HydrophobicContact CG-CH2 4.04Å; K817-W849 HydrophobicContact CG-CZ2 3.54Å; D818-W849 HydrophobicContact CB-CH2 3.9Å; F821-W849 HydrophobicContact CB-CZ2 4.18Å; F821-W849 AromaticContact CD1-NE1 3.58Å; F821-W849 AromaticContact CD2-CZ2 3.81Å; F821-W849 HydrophobicContact CD2-CZ2 3.81Å; F821-W849 AromaticContact CD2-NE1 3.56Å; F821-W849 AromaticContact CE1-NE1 3.52Å; F821-W849 HydrophobicContact CE2-CZ2 4.36Å; F821-W849 AromaticContact CE2-NE1 3.5Å; F821-W849 HydrophobicContact CG-CZ2 4.06Å; F821-W849 AromaticContact CG-NE1 3.57Å; F821-W849 AromaticContact CZ-NE1 3.46Å; V846-W849 WeakPolarHBondContact O-CB 3.27Å; V846-W849 PolarHBondContact O-N 2.85Å; V846-W849 VanDerWaalsContact O-N 3.17Å; A847-W849 PolarHBondContact O-N 3.1Å; W849-P852 HydrophobicContact CB-CB 4.31Å; W849-P852 HydrophobicContact CB-CG 4.18Å; W849-P852 HydrophobicContact CD2-CB 4.1Å; W849-P852 HydrophobicContact CE3-CB 3.78Å; W849-P852 HydrophobicContact CG-CB 4.36Å; W849-P852 HydrophobicContact CZ3-CB 4.45Å; W849-L856 HydrophobicContact CH2-CD2 3.97Å; W849-L856 HydrophobicContact CZ2-CD2 3.81Å; W849-L856 HydrophobicContact CZ3-CD2 4.5Å; W849-F860 AromaticContact CD1-CE2 3.91Å; W849-F860 HydrophobicContact CG-CE2 4.18Å; W849-F860 AromaticContact NE1-CZ 3.75Å | ||
| 850 | V | 87.5 | Confident | 92.4 | Very high | 84 Ų | 84 | 41.8 Ų | 41.8 | 51% | 0.509 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -91.1 | -44.9 | 175.6 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | D813 S848 | D813-V850 PolarHBondContact OD2-N 3.37Å; S848-V850 PolarHBondContact O-N 2.93Å |
| 851 | S | 87.1 | Confident | 92.6 | Very high | 97 Ų | 97 | 44.8 Ų | 44.8 | 68% | 0.678 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -145 | 69.6 | -176.6 | -177.1 | 0 | 0 | 0 | 0 | 112.3 | D813 | D813-S851 PolarHBondContact OD2-N 3.42Å; D813-S851 VanDerWaalsContact OD2-N 3.16Å |
| 852 | P | 91 | Very high | 92.8 | Very high | 15 Ų | 15 | 49.5 Ų | 49.5 | 10% | 0.097 | 25% | 0.251 | C | S | . | . | trans | -67.4 | 147.3 | 177.2 | 29.5 | -32.2 | 0 | 0 | 0 | 111.3 | W849 R857 F860 | W849-P852 HydrophobicContact CB-CB 4.31Å; W849-P852 HydrophobicContact CB-CG 4.18Å; W849-P852 HydrophobicContact CD2-CB 4.1Å; W849-P852 HydrophobicContact CE3-CB 3.78Å; W849-P852 HydrophobicContact CG-CB 4.36Å; W849-P852 HydrophobicContact CZ3-CB 4.45Å; P852-R857 HydrophobicContact CG-CB 4.27Å; P852-F860 HydrophobicContact CB-CE2 4.2Å | ||
| 853 | K | 92.6 | Very high | 92.9 | Very high | 91 Ų | 91 | 50.7 Ų | 50.7 | 40% | 0.396 | 26% | 0.256 | S | S | . | . | trans | -59 | 146.2 | 172.2 | -66 | 174.6 | -176.1 | 166.3 | 0 | 110.1 | E815 D855 L856 R857 | E815-K853 IonicContact OE1-NZ 3.44Å; E815-K853 PolarHBondContact OE1-NZ 3.34Å; E815-K853 IonicContact OE2-NZ 2.8Å; E815-K853 PolarHBondContact OE2-NZ 3.01Å; K853-D855 VanDerWaalsContact C-N 3.26Å; K853-D855 WeakPolarHBondContact CB-OD1 3.23Å; K853-D855 PolarHBondContact O-N 3.02Å; K853-L856 PolarHBondContact O-N 3.19Å; K853-L856 VanDerWaalsContact O-N 3.07Å; K853-R857 PolarHBondContact O-N 2.94Å | ||
| 854 | D | 92.9 | Very high | 92.9 | Very high | 122 Ų | 122 | 50.7 Ų | 50.7 | 65% | 0.652 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -55.3 | -39.3 | -172.3 | -72.6 | -32.8 | 0 | 0 | 0 | 113.3 | R857 D858 | D854-R857 WeakPolarHBondContact O-CB 3.44Å; D854-R857 PolarHBondContact O-N 3.13Å; D854-D858 PolarHBondContact O-N 3.36Å |
| 855 | D | 93.9 | Very high | 93.1 | Very high | 76 Ų | 76 | 50.8 Ų | 50.8 | 41% | 0.406 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -70.1 | -36.5 | -179.9 | 64.4 | -25.6 | 0 | 0 | 0 | 113 | R822 K853 M859 | R822-D855 IonicContact CZ-OD1 2.98Å; R822-D855 IonicContact CZ-OD2 2.66Å; R822-D855 VanDerWaalsContact CZ-OD2 3.27Å; R822-D855 IonicContact NH1-OD1 3.9Å; R822-D855 IonicContact NH1-OD2 2.74Å; R822-D855 PolarHBondContact NH1-OD2 3.16Å; R822-D855 VanDerWaalsContact NH2-CG 3.28Å; R822-D855 IonicContact NH2-OD1 3.16Å; R822-D855 PolarHBondContact NH2-OD1 3.41Å; R822-D855 IonicContact NH2-OD2 3.23Å; R822-D855 PolarHBondContact NH2-OD2 2.97Å; R822-D855 VanDerWaalsContact NH2-OD2 3.09Å; K853-D855 VanDerWaalsContact C-N 3.26Å; K853-D855 WeakPolarHBondContact CB-OD1 3.23Å; K853-D855 PolarHBondContact O-N 3.02Å; D855-M859 WeakPolarHBondContact O-CG 3.47Å; D855-M859 PolarHBondContact O-N 2.98Å |
| 856 | L | 95.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.1 | -40.4 | 171.5 | 180 | 59.2 | 0 | 0 | 0 | 111 | D818 F821 R822 W849 K853 D858 M859 F860 | D818-L856 WeakPolarHBondContact OD1-CD2 3.31Å; F821-L856 HydrophobicContact CB-CD1 4.19Å; F821-L856 HydrophobicContact CB-CD2 4.23Å; R822-L856 HydrophobicContact CG-CD1 4Å; W849-L856 HydrophobicContact CH2-CD2 3.97Å; W849-L856 HydrophobicContact CZ2-CD2 3.81Å; W849-L856 HydrophobicContact CZ3-CD2 4.5Å; K853-L856 PolarHBondContact O-N 3.19Å; K853-L856 VanDerWaalsContact O-N 3.07Å; L856-D858 VanDerWaalsContact C-N 3.27Å; L856-D858 PolarHBondContact O-N 3.4Å; L856-M859 HydrophobicContact CD1-SD 4.45Å; L856-M859 WeakPolarHBondContact O-CB 3.46Å; L856-M859 PolarHBondContact O-N 3.27Å; L856-F860 HydrophobicContact CD1-CD1 4.41Å; L856-F860 HydrophobicContact CD1-CE1 3.72Å; L856-F860 HydrophobicContact CD1-CE2 4.31Å; L856-F860 HydrophobicContact CD1-CZ 3.68Å; L856-F860 HydrophobicContact CD2-CE2 4.1Å; L856-F860 HydrophobicContact CD2-CZ 3.82Å; L856-F860 HydrophobicContact CG-CD2 4.41Å; L856-F860 HydrophobicContact CG-CE1 4.1Å; L856-F860 HydrophobicContact CG-CE2 3.75Å; L856-F860 HydrophobicContact CG-CZ 3.57Å; L856-F860 PolarHBondContact O-N 2.88Å |
| 857 | R | 93.9 | Very high | 93 | Very high | 97 Ų | 97 | 53.4 Ų | 53.4 | 37% | 0.366 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.9 | -41.1 | 174.4 | -172.9 | -171.4 | 170.7 | -179.5 | -2.3 | 111.5 | P852 K853 D854 M859 F860 Y861 F894 Y895 | P852-R857 HydrophobicContact CG-CB 4.27Å; K853-R857 PolarHBondContact O-N 2.94Å; D854-R857 WeakPolarHBondContact O-CB 3.44Å; D854-R857 PolarHBondContact O-N 3.13Å; R857-M859 VanDerWaalsContact C-N 3.33Å; R857-M859 PolarHBondContact O-N 3.36Å; R857-F860 PolarHBondContact O-N 3.35Å; R857-Y861 PolarHBondContact O-N 3.48Å; R857-F894 PolarHBondContact NE-O 3.17Å; R857-F894 PolarHBondContact NH2-O 3.21Å; R857-Y895 HydrophobicContact CG-CD1 4.36Å; R857-Y895 HydrophobicContact CG-CE1 3.68Å |
| 858 | D | 94.9 | Very high | 92.9 | Very high | 94 Ų | 94 | 54.3 Ų | 54.3 | 50% | 0.503 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.2 | -34.8 | 174.8 | -80.8 | -9.7 | 0 | 0 | 0 | 112.7 | D854 L856 K862 | D854-D858 PolarHBondContact O-N 3.36Å; L856-D858 VanDerWaalsContact C-N 3.27Å; L856-D858 PolarHBondContact O-N 3.4Å; D858-K862 VanDerWaalsContact O-CG 3.32Å; D858-K862 WeakPolarHBondContact O-CG 3.34Å; D858-K862 PolarHBondContact O-N 3.1Å |
| 859 | M | 96.9 | Very high | 93 | Very high | 41 Ų | 41 | 59.8 Ų | 59.8 | 20% | 0.202 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.6 | -45.7 | 173.5 | -65.8 | -177.5 | -173.1 | 0 | 0 | 111.2 | C825 M826 D855 L856 R857 Y861 K862 I863 | C825-M859 HydrophobicContact CB-CB 4Å; C825-M859 HydrophobicContact CB-SD 3.92Å; M826-M859 HydrophobicContact CE-CE 3.86Å; D855-M859 WeakPolarHBondContact O-CG 3.47Å; D855-M859 PolarHBondContact O-N 2.98Å; L856-M859 HydrophobicContact CD1-SD 4.45Å; L856-M859 WeakPolarHBondContact O-CB 3.46Å; L856-M859 PolarHBondContact O-N 3.27Å; R857-M859 VanDerWaalsContact C-N 3.33Å; R857-M859 PolarHBondContact O-N 3.36Å; M859-Y861 VanDerWaalsContact C-N 3.34Å; M859-Y861 PolarHBondContact O-N 3.26Å; M859-K862 PolarHBondContact O-N 3.05Å; M859-I863 WeakPolarHBondContact O-CG1 3.25Å; M859-I863 PolarHBondContact O-N 3.26Å; M859-I863 VanDerWaalsContact O-N 3.11Å |
| 860 | F | 96.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.7 | -46.6 | 175.2 | -62.4 | -27.3 | 0 | 0 | 0 | 111.6 | F821 F842 V846 W849 P852 L856 R857 K862 I863 L864 Y895 | F821-F860 HydrophobicContact CB-CE1 4.19Å; F821-F860 HydrophobicContact CB-CZ 4.01Å; F821-F860 AromaticContact CD1-CE1 3.65Å; F821-F860 HydrophobicContact CD1-CE1 3.65Å; F821-F860 AromaticContact CD1-CZ 3.57Å; F821-F860 HydrophobicContact CD1-CZ 3.57Å; F821-F860 HydrophobicContact CE1-CZ 4.33Å; F821-F860 HydrophobicContact CG-CE1 4.35Å; F821-F860 HydrophobicContact CG-CZ 4.08Å; F842-F860 HydrophobicContact CZ-CD1 4.25Å; V846-F860 HydrophobicContact CG1-CB 3.96Å; V846-F860 HydrophobicContact CG1-CD1 4.33Å; V846-F860 HydrophobicContact CG1-CD2 3.76Å; V846-F860 HydrophobicContact CG1-CE2 4.27Å; V846-F860 HydrophobicContact CG1-CG 3.78Å; V846-F860 HydrophobicContact CG2-CD1 3.7Å; V846-F860 HydrophobicContact CG2-CD2 4.46Å; V846-F860 HydrophobicContact CG2-CE1 3.9Å; V846-F860 HydrophobicContact CG2-CG 4.01Å; V846-F860 HydrophobicContact CG2-CZ 4.32Å; W849-F860 AromaticContact CD1-CE2 3.91Å; W849-F860 HydrophobicContact CG-CE2 4.18Å; W849-F860 AromaticContact NE1-CZ 3.75Å; P852-F860 HydrophobicContact CB-CE2 4.2Å; L856-F860 HydrophobicContact CD1-CD1 4.41Å; L856-F860 HydrophobicContact CD1-CE1 3.72Å; L856-F860 HydrophobicContact CD1-CE2 4.31Å; L856-F860 HydrophobicContact CD1-CZ 3.68Å; L856-F860 HydrophobicContact CD2-CE2 4.1Å; L856-F860 HydrophobicContact CD2-CZ 3.82Å; L856-F860 HydrophobicContact CG-CD2 4.41Å; L856-F860 HydrophobicContact CG-CE1 4.1Å; L856-F860 HydrophobicContact CG-CE2 3.75Å; L856-F860 HydrophobicContact CG-CZ 3.57Å; L856-F860 PolarHBondContact O-N 2.88Å; R857-F860 PolarHBondContact O-N 3.35Å; F860-K862 PolarHBondContact O-N 2.73Å; F860-I863 PolarHBondContact O-N 3.02Å; F860-L864 WeakPolarHBondContact O-CB 3.43Å; F860-L864 VanDerWaalsContact O-CG 3.31Å; F860-L864 WeakPolarHBondContact O-CG 3.35Å; F860-L864 PolarHBondContact O-N 3.12Å; F860-Y895 HydrophobicContact CB-CD1 4.16Å; F860-Y895 HydrophobicContact CB-CE1 3.63Å; F860-Y895 HydrophobicContact CD2-CE1 4.05Å; F860-Y895 AromaticContact CD2-CZ 3.96Å; F860-Y895 WeakPolarHBondContact CD2-OH 3.47Å; F860-Y895 HydrophobicContact CG-CE1 4.36Å |
| 861 | Y | 95.3 | Very high | 92.9 | Very high | 112 Ų | 112 | 64 Ų | 64 | 44% | 0.439 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -54.6 | -49.7 | 176.3 | -179.9 | -85 | 0 | 0 | 0 | 111.7 | R857 M859 I863 L864 H865 | R857-Y861 PolarHBondContact O-N 3.48Å; M859-Y861 VanDerWaalsContact C-N 3.34Å; M859-Y861 PolarHBondContact O-N 3.26Å; Y861-I863 VanDerWaalsContact C-N 3.34Å; Y861-I863 PolarHBondContact O-N 3.1Å; Y861-L864 PolarHBondContact O-N 3.28Å; Y861-H865 AromaticContact CD1-CD2 3.91Å; Y861-H865 AromaticContact CD2-CD2 3.53Å; Y861-H865 AromaticContact CD2-NE2 3.66Å; Y861-H865 AromaticContact CE1-CD2 3.65Å; Y861-H865 AromaticContact CE2-CD2 3.29Å; Y861-H865 WeakPolarHBondContact CE2-CD2 3.31Å; Y861-H865 AromaticContact CE2-NE2 3.09Å; Y861-H865 WeakPolarHBondContact CE2-NE2 3.07Å; Y861-H865 AromaticContact CG-CD2 3.84Å; Y861-H865 AromaticContact CZ-CD2 3.33Å; Y861-H865 AromaticContact CZ-CG 3.93Å; Y861-H865 AromaticContact CZ-NE2 3.39Å; Y861-H865 WeakPolarHBondContact O-CB 3.4Å; Y861-H865 PolarHBondContact O-CD2 2.98Å; Y861-H865 PolarHBondContact O-N 3.45Å |
| 862 | K | 95.1 | Very high | 92.9 | Very high | 146 Ų | 146 | 60.7 Ų | 60.7 | 64% | 0.635 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.3 | -40.6 | -179.3 | -74.3 | 169 | -175 | 166.8 | 0 | 112.8 | D858 M859 F860 G866 | D858-K862 VanDerWaalsContact O-CG 3.32Å; D858-K862 WeakPolarHBondContact O-CG 3.34Å; D858-K862 PolarHBondContact O-N 3.1Å; M859-K862 PolarHBondContact O-N 3.05Å; F860-K862 PolarHBondContact O-N 2.73Å; K862-G866 WeakPolarHBondContact O-CA 3.47Å; K862-G866 PolarHBondContact O-N 3.23Å |
| 863 | I | 95.7 | Very high | 92.8 | Very high | 24 Ų | 24 | 65.1 Ų | 65.1 | 12% | 0.123 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -71.1 | -45.7 | -179.6 | -66.6 | 168.8 | 0 | 0 | 0 | 110.8 | C825 I828 F839 F842 M859 F860 Y861 G866 F867 | C825-I863 HydrophobicContact CB-CD1 3.79Å; I828-I863 HydrophobicContact CB-CD1 4.2Å; I828-I863 HydrophobicContact CD1-CD1 4.22Å; I828-I863 HydrophobicContact CD1-CG2 4.48Å; I828-I863 HydrophobicContact CG2-CD1 4.12Å; I828-I863 HydrophobicContact CG2-CG1 4.18Å; I828-I863 HydrophobicContact CG2-CG2 3.97Å; F839-I863 HydrophobicContact CE2-CG2 3.96Å; F839-I863 HydrophobicContact CZ-CG2 4.34Å; F842-I863 HydrophobicContact CD1-CG2 4.22Å; F842-I863 HydrophobicContact CE1-CB 4.19Å; F842-I863 HydrophobicContact CE1-CG2 3.51Å; F842-I863 HydrophobicContact CZ-CB 4.49Å; F842-I863 HydrophobicContact CZ-CD1 4.09Å; F842-I863 HydrophobicContact CZ-CG2 4.07Å; M859-I863 WeakPolarHBondContact O-CG1 3.25Å; M859-I863 PolarHBondContact O-N 3.26Å; M859-I863 VanDerWaalsContact O-N 3.11Å; F860-I863 PolarHBondContact O-N 3.02Å; Y861-I863 VanDerWaalsContact C-N 3.34Å; Y861-I863 PolarHBondContact O-N 3.1Å; I863-G866 PolarHBondContact O-N 3.13Å; I863-F867 PolarHBondContact O-N 3.27Å |
| 864 | L | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.3 | -49.5 | 179.6 | -71.1 | 169.8 | 0 | 0 | 0 | 111.8 | F839 V846 F860 Y861 F867 K868 L891 Y895 V897 | F839-L864 HydrophobicContact CE1-CD2 4.23Å; F839-L864 HydrophobicContact CZ-CD2 4.07Å; V846-L864 HydrophobicContact CG1-CD1 4.4Å; F860-L864 WeakPolarHBondContact O-CB 3.43Å; F860-L864 VanDerWaalsContact O-CG 3.31Å; F860-L864 WeakPolarHBondContact O-CG 3.35Å; F860-L864 PolarHBondContact O-N 3.12Å; Y861-L864 PolarHBondContact O-N 3.28Å; L864-F867 PolarHBondContact O-N 3.04Å; L864-K868 WeakPolarHBondContact O-CB 3.22Å; L864-K868 PolarHBondContact O-N 3.42Å; L864-L891 HydrophobicContact CD1-CD2 4.18Å; L864-Y895 HydrophobicContact CD1-CD1 4.24Å; L864-Y895 HydrophobicContact CD1-CD2 3.83Å; L864-Y895 HydrophobicContact CD1-CG 3.67Å; L864-V897 HydrophobicContact CB-CG1 4.15Å; L864-V897 HydrophobicContact CB-CG2 4.14Å; L864-V897 HydrophobicContact CD1-CG2 4.12Å; L864-V897 HydrophobicContact CG-CG2 4.5Å |
| 865 | H | 94 | Very high | 92.3 | Very high | 36 Ų | 36 | 66.6 Ų | 66.6 | 17% | 0.167 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.5 | -37.8 | 176.6 | -79.4 | -86.5 | 0 | 0 | 0 | 112.1 | Y861 F867 K868 D869 Y895 V897 | Y861-H865 AromaticContact CD1-CD2 3.91Å; Y861-H865 AromaticContact CD2-CD2 3.53Å; Y861-H865 AromaticContact CD2-NE2 3.66Å; Y861-H865 AromaticContact CE1-CD2 3.65Å; Y861-H865 AromaticContact CE2-CD2 3.29Å; Y861-H865 WeakPolarHBondContact CE2-CD2 3.31Å; Y861-H865 AromaticContact CE2-NE2 3.09Å; Y861-H865 WeakPolarHBondContact CE2-NE2 3.07Å; Y861-H865 AromaticContact CG-CD2 3.84Å; Y861-H865 AromaticContact CZ-CD2 3.33Å; Y861-H865 AromaticContact CZ-CG 3.93Å; Y861-H865 AromaticContact CZ-NE2 3.39Å; Y861-H865 WeakPolarHBondContact O-CB 3.4Å; Y861-H865 PolarHBondContact O-CD2 2.98Å; Y861-H865 PolarHBondContact O-N 3.45Å; H865-F867 VanDerWaalsContact C-N 3.34Å; H865-F867 PolarHBondContact O-N 3.23Å; H865-K868 PolarHBondContact O-N 3.25Å; H865-D869 WeakPolarHBondContact O-CB 3.12Å; H865-D869 VanDerWaalsContact O-CG 3.31Å; H865-D869 PolarHBondContact O-N 3.25Å; H865-Y895 PolarHBondContact NE2-O 2.62Å; H865-V897 VanDerWaalsContact NE2-CG1 3.32Å; H865-V897 WeakPolarHBondContact NE2-CG1 3.25Å |
| 866 | G | 92.4 | Very high | 92.1 | Very high | 36 Ų | 36 | 63.1 Ų | 63.1 | 37% | 0.371 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K862 I863 Q870 | K862-G866 WeakPolarHBondContact O-CA 3.47Å; K862-G866 PolarHBondContact O-N 3.23Å; I863-G866 PolarHBondContact O-N 3.13Å; G866-Q870 WeakPolarHBondContact O-CB 3.44Å; G866-Q870 PolarHBondContact O-N 2.99Å; G866-Q870 VanDerWaalsContact O-N 3.09Å |
| 867 | F | 90.8 | Very high | 91.7 | Very high | 18 Ų | 18 | 68.7 Ų | 68.7 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.3 | -44.8 | 174.9 | -172.2 | -90.6 | 0 | 0 | 0 | 111.7 | V836 F839 I863 L864 H865 D869 Q870 V871 W876 F879 | V836-F867 HydrophobicContact CB-CE2 4.37Å; V836-F867 HydrophobicContact CG1-CE2 4.12Å; V836-F867 HydrophobicContact CG2-CE2 4.27Å; F839-F867 HydrophobicContact CB-CD2 4.45Å; F839-F867 HydrophobicContact CB-CE1 4.43Å; F839-F867 HydrophobicContact CB-CE2 3.91Å; F839-F867 HydrophobicContact CB-CZ 3.89Å; F839-F867 HydrophobicContact CD1-CB 4.39Å; F839-F867 AromaticContact CD1-CD1 3.48Å; F839-F867 HydrophobicContact CD1-CD1 3.48Å; F839-F867 VanDerWaalsContact CD1-CD1 3.48Å; F839-F867 AromaticContact CD1-CD2 3.98Å; F839-F867 HydrophobicContact CD1-CD2 3.98Å; F839-F867 AromaticContact CD1-CE1 3.57Å; F839-F867 HydrophobicContact CD1-CE1 3.57Å; F839-F867 HydrophobicContact CD1-CE2 4.07Å; F839-F867 AromaticContact CD1-CG 3.68Å; F839-F867 HydrophobicContact CD1-CG 3.68Å; F839-F867 AromaticContact CD1-CZ 3.87Å; F839-F867 HydrophobicContact CD1-CZ 3.87Å; F839-F867 AromaticContact CD2-CD2 3.72Å; F839-F867 HydrophobicContact CD2-CD2 3.72Å; F839-F867 HydrophobicContact CD2-CE2 4.02Å; F839-F867 HydrophobicContact CD2-CG 4.04Å; F839-F867 HydrophobicContact CE1-CB 3.69Å; F839-F867 AromaticContact CE1-CD1 3.43Å; F839-F867 HydrophobicContact CE1-CD1 3.43Å; F839-F867 VanDerWaalsContact CE1-CD1 3.43Å; F839-F867 HydrophobicContact CE1-CD2 4.13Å; F839-F867 HydrophobicContact CE1-CE1 4.03Å; F839-F867 AromaticContact CE1-CG 3.47Å; F839-F867 HydrophobicContact CE1-CG 3.47Å; F839-F867 VanDerWaalsContact CE1-CG 3.47Å; F839-F867 HydrophobicContact CE2-CB 3.84Å; F839-F867 AromaticContact CE2-CD2 3.88Å; F839-F867 HydrophobicContact CE2-CD2 3.88Å; F839-F867 AromaticContact CE2-CG 3.86Å; F839-F867 HydrophobicContact CE2-CG 3.86Å; F839-F867 HydrophobicContact CG-CD1 4.13Å; F839-F867 AromaticContact CG-CD2 3.78Å; F839-F867 HydrophobicContact CG-CD2 3.78Å; F839-F867 HydrophobicContact CG-CE1 4.07Å; F839-F867 AromaticContact CG-CE2 3.73Å; F839-F867 HydrophobicContact CG-CE2 3.73Å; F839-F867 AromaticContact CG-CG 3.97Å; F839-F867 HydrophobicContact CG-CG 3.97Å; F839-F867 AromaticContact CG-CZ 3.87Å; F839-F867 HydrophobicContact CG-CZ 3.87Å; F839-F867 HydrophobicContact CZ-CB 3.37Å; F839-F867 HydrophobicContact CZ-CD1 4.04Å; F839-F867 HydrophobicContact CZ-CD2 4.08Å; F839-F867 AromaticContact CZ-CG 3.57Å; F839-F867 HydrophobicContact CZ-CG 3.57Å; I863-F867 PolarHBondContact O-N 3.27Å; L864-F867 PolarHBondContact O-N 3.04Å; H865-F867 VanDerWaalsContact C-N 3.34Å; H865-F867 PolarHBondContact O-N 3.23Å; F867-D869 VanDerWaalsContact C-N 3.34Å; F867-D869 PolarHBondContact O-N 2.88Å; F867-Q870 PolarHBondContact O-N 2.87Å; F867-Q870 VanDerWaalsContact O-N 3.13Å; F867-V871 HydrophobicContact CD1-CG1 4.16Å; F867-V871 HydrophobicContact CD1-CG2 4.35Å; F867-V871 HydrophobicContact CE1-CG1 3.71Å; F867-V871 HydrophobicContact CE1-CG2 4.28Å; F867-V871 HydrophobicContact CE2-CG1 4.36Å; F867-V871 HydrophobicContact CZ-CG1 3.83Å; F867-V871 WeakPolarHBondContact O-CG2 3.33Å; F867-V871 PolarHBondContact O-N 3.4Å; F867-W876 AromaticContact CD1-CE3 3.95Å; F867-W876 HydrophobicContact CD1-CE3 3.95Å; F867-W876 AromaticContact CD1-CZ3 3.69Å; F867-W876 HydrophobicContact CD1-CZ3 3.69Å; F867-W876 HydrophobicContact CE1-CE3 4.31Å; F867-W876 HydrophobicContact CE1-CZ3 4.16Å; F867-F879 HydrophobicContact CE1-CD1 4.46Å; F867-F879 HydrophobicContact CE1-CE1 4.34Å |
| 868 | K | 91 | Very high | 91.4 | Very high | 27 Ų | 27 | 69.9 Ų | 69.9 | 12% | 0.117 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56.2 | -46.3 | 175.9 | 178.6 | 176.5 | 178.2 | -172 | 0 | 111.9 | L864 H865 Q870 G872 E873 W876 V897 | L864-K868 WeakPolarHBondContact O-CB 3.22Å; L864-K868 PolarHBondContact O-N 3.42Å; H865-K868 PolarHBondContact O-N 3.25Å; K868-Q870 VanDerWaalsContact C-N 3.31Å; K868-Q870 PolarHBondContact O-N 3.4Å; K868-G872 WeakPolarHBondContact O-CA 3.35Å; K868-G872 PolarHBondContact O-N 2.96Å; K868-E873 WeakPolarHBondContact CE-OE1 3.32Å; K868-E873 WeakPolarHBondContact CE-OE2 3.44Å; K868-E873 IonicContact NZ-OE1 3.92Å; K868-E873 PolarHBondContact NZ-OE1 3Å; K868-E873 IonicContact NZ-OE2 3.48Å; K868-E873 PolarHBondContact NZ-OE2 3.45Å; K868-W876 HydrophobicContact CB-CD2 4.02Å; K868-W876 HydrophobicContact CB-CE3 4.21Å; K868-W876 HydrophobicContact CB-CG 4.23Å; K868-W876 HydrophobicContact CD-CD2 4.37Å; K868-W876 HydrophobicContact CD-CG 4.06Å; K868-W876 HydrophobicContact CG-CB 4.03Å; K868-W876 HydrophobicContact CG-CD2 3.98Å; K868-W876 HydrophobicContact CG-CG 3.68Å; K868-V897 HydrophobicContact CD-CG1 4.33Å |
| 869 | D | 91.3 | Very high | 91 | Very high | 129 Ų | 129 | 67.3 Ų | 67.3 | 69% | 0.69 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -64 | -36.2 | 177.3 | -73.7 | -17 | 0 | 0 | 0 | 111.9 | H865 F867 | H865-D869 WeakPolarHBondContact O-CB 3.12Å; H865-D869 VanDerWaalsContact O-CG 3.31Å; H865-D869 PolarHBondContact O-N 3.25Å; F867-D869 VanDerWaalsContact C-N 3.34Å; F867-D869 PolarHBondContact O-N 2.88Å |
| 870 | Q | 88.5 | Confident | 90.5 | Very high | 139 Ų | 139 | 65.8 Ų | 65.8 | 65% | 0.65 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -71.7 | -39.2 | -179.4 | -173.7 | 173.1 | 4.9 | 0 | 0 | 113.1 | G866 F867 K868 | G866-Q870 WeakPolarHBondContact O-CB 3.44Å; G866-Q870 PolarHBondContact O-N 2.99Å; G866-Q870 VanDerWaalsContact O-N 3.09Å; F867-Q870 PolarHBondContact O-N 2.87Å; F867-Q870 VanDerWaalsContact O-N 3.13Å; K868-Q870 VanDerWaalsContact C-N 3.31Å; K868-Q870 PolarHBondContact O-N 3.4Å |
| 871 | V | 86.1 | Confident | 90.1 | Very high | 43 Ų | 43 | 72.6 Ų | 72.6 | 26% | 0.261 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -85.1 | -23.4 | 178.3 | -57.6 | 0 | 0 | 0 | 0 | 112.7 | F867 N875 W876 | F867-V871 HydrophobicContact CD1-CG1 4.16Å; F867-V871 HydrophobicContact CD1-CG2 4.35Å; F867-V871 HydrophobicContact CE1-CG1 3.71Å; F867-V871 HydrophobicContact CE1-CG2 4.28Å; F867-V871 HydrophobicContact CE2-CG1 4.36Å; F867-V871 HydrophobicContact CZ-CG1 3.83Å; F867-V871 WeakPolarHBondContact O-CG2 3.33Å; F867-V871 PolarHBondContact O-N 3.4Å; V871-N875 HydrophobicContact CB-CB 4.13Å; V871-N875 HydrophobicContact CG2-CB 4.38Å; V871-N875 WeakPolarHBondContact O-CB 3.24Å; V871-N875 PolarHBondContact O-ND2 3.36Å; V871-W876 HydrophobicContact CG2-CB 3.98Å; V871-W876 HydrophobicContact CG2-CE3 4.42Å |
| 872 | G | 87.6 | Confident | 89.7 | Confident | 29 Ų | 29 | 73.6 Ų | 73.6 | 30% | 0.299 | 37% | 0.369 | S | S | . | . | trans | 83.7 | 154.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K868 E874 N875 W876 | K868-G872 WeakPolarHBondContact O-CA 3.35Å; K868-G872 PolarHBondContact O-N 2.96Å; G872-E874 PolarHBondContact O-N 3.09Å; G872-N875 PolarHBondContact O-N 2.88Å; G872-W876 WeakPolarHBondContact O-CB 3.44Å; G872-W876 PolarHBondContact O-N 3.48Å | ||
| 873 | E | 88.1 | Confident | 89.3 | Confident | 108 Ų | 108 | 67.4 Ų | 67.4 | 51% | 0.505 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -54.4 | -43.1 | -172.9 | -78.2 | -74.8 | -177.4 | 0 | 0 | 114.3 | K868 W876 Q877 | K868-E873 WeakPolarHBondContact CE-OE1 3.32Å; K868-E873 WeakPolarHBondContact CE-OE2 3.44Å; K868-E873 IonicContact NZ-OE1 3.92Å; K868-E873 PolarHBondContact NZ-OE1 3Å; K868-E873 IonicContact NZ-OE2 3.48Å; K868-E873 PolarHBondContact NZ-OE2 3.45Å; E873-W876 PolarHBondContact O-N 2.94Å; E873-Q877 WeakPolarHBondContact O-CG 3.49Å; E873-Q877 PolarHBondContact O-N 3.48Å |
| 874 | E | 87.6 | Confident | 88.9 | Confident | 154 Ų | 154 | 69.8 Ų | 69.8 | 72% | 0.72 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.2 | -42.7 | -179.5 | -71 | -175.6 | 170.8 | 0 | 0 | 112.4 | G872 Q877 Q878 | G872-E874 PolarHBondContact O-N 3.09Å; E874-Q877 PolarHBondContact O-N 3.24Å; E874-Q878 WeakPolarHBondContact O-CG 3.35Å; E874-Q878 PolarHBondContact O-N 3.48Å; E874-Q878 VanDerWaalsContact O-N 3.15Å |
| 875 | N | 87.6 | Confident | 88.5 | Confident | 89 Ų | 89 | 74.9 Ų | 74.9 | 48% | 0.476 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -73.5 | -34 | 178.7 | -65.7 | -38.6 | 0 | 0 | 0 | 111.4 | V871 G872 Q878 F879 | V871-N875 HydrophobicContact CB-CB 4.13Å; V871-N875 HydrophobicContact CG2-CB 4.38Å; V871-N875 WeakPolarHBondContact O-CB 3.24Å; V871-N875 PolarHBondContact O-ND2 3.36Å; G872-N875 PolarHBondContact O-N 2.88Å; N875-Q878 PolarHBondContact O-N 3.02Å; N875-F879 VanDerWaalsContact O-CB 3.3Å; N875-F879 WeakPolarHBondContact O-CB 3.34Å; N875-F879 PolarHBondContact O-N 3.08Å |
| 876 | W | 89.2 | Confident | 88.1 | Confident | 3 Ų | 3 | 78.4 Ų | 78.4 | 1% | 0.011 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 172.6 | 177.8 | -104.6 | 0 | 0 | 0 | 111.7 | F839 F867 K868 V871 G872 E873 F879 S880 F883 V897 | F839-W876 HydrophobicContact CD1-CZ3 4.4Å; F839-W876 HydrophobicContact CE1-CH2 4.27Å; F839-W876 AromaticContact CE1-CZ3 3.94Å; F839-W876 HydrophobicContact CE1-CZ3 3.94Å; F867-W876 AromaticContact CD1-CE3 3.95Å; F867-W876 HydrophobicContact CD1-CE3 3.95Å; F867-W876 AromaticContact CD1-CZ3 3.69Å; F867-W876 HydrophobicContact CD1-CZ3 3.69Å; F867-W876 HydrophobicContact CE1-CE3 4.31Å; F867-W876 HydrophobicContact CE1-CZ3 4.16Å; K868-W876 HydrophobicContact CB-CD2 4.02Å; K868-W876 HydrophobicContact CB-CE3 4.21Å; K868-W876 HydrophobicContact CB-CG 4.23Å; K868-W876 HydrophobicContact CD-CD2 4.37Å; K868-W876 HydrophobicContact CD-CG 4.06Å; K868-W876 HydrophobicContact CG-CB 4.03Å; K868-W876 HydrophobicContact CG-CD2 3.98Å; K868-W876 HydrophobicContact CG-CG 3.68Å; V871-W876 HydrophobicContact CG2-CB 3.98Å; V871-W876 HydrophobicContact CG2-CE3 4.42Å; G872-W876 WeakPolarHBondContact O-CB 3.44Å; G872-W876 PolarHBondContact O-N 3.48Å; E873-W876 PolarHBondContact O-N 2.94Å; W876-F879 AromaticContact CE3-CD1 3.97Å; W876-F879 HydrophobicContact CE3-CD1 3.97Å; W876-F879 HydrophobicContact CH2-CD1 4.47Å; W876-F879 AromaticContact CZ3-CD1 3.76Å; W876-F879 HydrophobicContact CZ3-CD1 3.76Å; W876-F879 AromaticContact CZ3-CE1 3.95Å; W876-F879 HydrophobicContact CZ3-CE1 3.95Å; W876-F879 PolarHBondContact O-N 3.27Å; W876-S880 VanDerWaalsContact O-CB 3.31Å; W876-S880 WeakPolarHBondContact O-CB 3.42Å; W876-S880 PolarHBondContact O-N 2.83Å; W876-S880 PolarHBondContact O-OG 3.38Å; W876-F883 HydrophobicContact CH2-CE2 4.49Å; W876-F883 HydrophobicContact CH2-CZ 4.44Å; W876-V897 HydrophobicContact CZ2-CB 3.73Å; W876-V897 HydrophobicContact CZ2-CG2 3.99Å; W876-V897 PolarHBondContact NE1-OXT 2.98Å |
| 877 | Q | 88 | Confident | 87.8 | Confident | 117 Ų | 117 | 77.3 Ų | 77.3 | 55% | 0.547 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60 | -48.9 | 173.5 | -79.7 | -175.6 | -3.5 | 0 | 0 | 111.5 | E873 E874 F879 S880 E881 | E873-Q877 WeakPolarHBondContact O-CG 3.49Å; E873-Q877 PolarHBondContact O-N 3.48Å; E874-Q877 PolarHBondContact O-N 3.24Å; Q877-F879 VanDerWaalsContact C-N 3.29Å; Q877-F879 PolarHBondContact O-N 2.95Å; Q877-S880 PolarHBondContact O-N 3.44Å; Q877-S880 PolarHBondContact O-OG 3.21Å; Q877-S880 VanDerWaalsContact O-OG 3.11Å; Q877-E881 WeakPolarHBondContact O-CG 3.43Å; Q877-E881 PolarHBondContact O-N 2.91Å |
| 878 | Q | 87.8 | Confident | 87.7 | Confident | 122 Ų | 122 | 80.8 Ų | 80.8 | 57% | 0.57 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61.8 | -35.2 | 177.2 | -69.7 | 178.5 | 11.1 | 0 | 0 | 113.1 | E874 N875 | E874-Q878 WeakPolarHBondContact O-CG 3.35Å; E874-Q878 PolarHBondContact O-N 3.48Å; E874-Q878 VanDerWaalsContact O-N 3.15Å; N875-Q878 PolarHBondContact O-N 3.02Å |
| 879 | F | 86.9 | Confident | 87.6 | Confident | 41 Ų | 41 | 86.1 Ų | 86.1 | 18% | 0.18 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -71.2 | -48.5 | 176.8 | 177.7 | -107.4 | 0 | 0 | 0 | 111.9 | F839 I840 F867 N875 W876 Q877 E881 Q882 F883 | F839-F879 HydrophobicContact CB-CZ 4.26Å; F839-F879 AromaticContact CD1-CE1 3.9Å; F839-F879 HydrophobicContact CD1-CE1 3.9Å; F839-F879 HydrophobicContact CD1-CZ 4.15Å; I840-F879 HydrophobicContact CB-CE2 4.27Å; I840-F879 HydrophobicContact CB-CZ 3.87Å; F867-F879 HydrophobicContact CE1-CD1 4.46Å; F867-F879 HydrophobicContact CE1-CE1 4.34Å; N875-F879 VanDerWaalsContact O-CB 3.3Å; N875-F879 WeakPolarHBondContact O-CB 3.34Å; N875-F879 PolarHBondContact O-N 3.08Å; W876-F879 AromaticContact CE3-CD1 3.97Å; W876-F879 HydrophobicContact CE3-CD1 3.97Å; W876-F879 HydrophobicContact CH2-CD1 4.47Å; W876-F879 AromaticContact CZ3-CD1 3.76Å; W876-F879 HydrophobicContact CZ3-CD1 3.76Å; W876-F879 AromaticContact CZ3-CE1 3.95Å; W876-F879 HydrophobicContact CZ3-CE1 3.95Å; W876-F879 PolarHBondContact O-N 3.27Å; Q877-F879 VanDerWaalsContact C-N 3.29Å; Q877-F879 PolarHBondContact O-N 2.95Å; F879-E881 PolarHBondContact O-N 3.22Å; F879-Q882 WeakPolarHBondContact O-CB 3.48Å; F879-Q882 PolarHBondContact O-N 3.2Å; F879-F883 HydrophobicContact CD1-CE1 4.01Å; F879-F883 AromaticContact CD1-CZ 3.88Å; F879-F883 HydrophobicContact CD1-CZ 3.88Å; F879-F883 AromaticContact CE1-CE1 3.6Å; F879-F883 HydrophobicContact CE1-CE1 3.6Å; F879-F883 AromaticContact CE1-CZ 3.49Å; F879-F883 HydrophobicContact CE1-CZ 3.49Å; F879-F883 VanDerWaalsContact CE1-CZ 3.49Å; F879-F883 AromaticContact CZ-CE1 3.99Å; F879-F883 HydrophobicContact CZ-CE1 3.99Å; F879-F883 HydrophobicContact CZ-CZ 4.28Å |
| 880 | S | 86.8 | Confident | 87.4 | Confident | 9 Ų | 9 | 84.5 Ų | 84.5 | 6% | 0.063 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -70.2 | -13.4 | -179.6 | 65.2 | 0 | 0 | 0 | 0 | 114.1 | W876 Q877 Q882 F883 | W876-S880 VanDerWaalsContact O-CB 3.31Å; W876-S880 WeakPolarHBondContact O-CB 3.42Å; W876-S880 PolarHBondContact O-N 2.83Å; W876-S880 PolarHBondContact O-OG 3.38Å; Q877-S880 PolarHBondContact O-N 3.44Å; Q877-S880 PolarHBondContact O-OG 3.21Å; Q877-S880 VanDerWaalsContact O-OG 3.11Å; S880-Q882 PolarHBondContact O-N 3.07Å; S880-F883 WeakPolarHBondContact O-CB 3.39Å; S880-F883 PolarHBondContact O-N 3.37Å |
| 881 | E | 87.1 | Confident | 87.5 | Confident | 143 Ų | 143 | 78 Ų | 78 | 67% | 0.668 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -20.9 | 168.1 | -81.8 | 176.7 | -179.8 | 0 | 0 | 113.1 | Q877 F879 F883 | Q877-E881 WeakPolarHBondContact O-CG 3.43Å; Q877-E881 PolarHBondContact O-N 2.91Å; F879-E881 PolarHBondContact O-N 3.22Å; E881-F883 VanDerWaalsContact C-N 3.28Å |
| 882 | Q | 86.9 | Confident | 87.7 | Confident | 133 Ų | 133 | 78.4 Ų | 78.4 | 62% | 0.621 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -9.8 | 177.5 | -55.8 | 174.9 | 27.6 | 0 | 0 | 112.6 | F879 S880 | F879-Q882 WeakPolarHBondContact O-CB 3.48Å; F879-Q882 PolarHBondContact O-N 3.2Å; S880-Q882 PolarHBondContact O-N 3.07Å |
| 883 | F | 87.6 | Confident | 87.7 | Confident | 16 Ų | 16 | 80.9 Ų | 80.9 | 7% | 0.07 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -74.9 | 140.5 | -176.7 | -66 | -3.9 | 0 | 0 | 0 | 111.5 | I840 C843 W876 F879 S880 E881 L887 K888 L891 | I840-F883 HydrophobicContact CB-CE1 4.42Å; I840-F883 HydrophobicContact CD1-CD1 3.92Å; I840-F883 HydrophobicContact CD1-CE1 4.03Å; I840-F883 HydrophobicContact CG1-CD1 4.03Å; I840-F883 HydrophobicContact CG1-CE1 3.79Å; C843-F883 HydrophobicContact CB-CE2 4.47Å; C843-F883 HydrophobicContact CB-CZ 4.06Å; W876-F883 HydrophobicContact CH2-CE2 4.49Å; W876-F883 HydrophobicContact CH2-CZ 4.44Å; F879-F883 HydrophobicContact CD1-CE1 4.01Å; F879-F883 AromaticContact CD1-CZ 3.88Å; F879-F883 HydrophobicContact CD1-CZ 3.88Å; F879-F883 AromaticContact CE1-CE1 3.6Å; F879-F883 HydrophobicContact CE1-CE1 3.6Å; F879-F883 AromaticContact CE1-CZ 3.49Å; F879-F883 HydrophobicContact CE1-CZ 3.49Å; F879-F883 VanDerWaalsContact CE1-CZ 3.49Å; F879-F883 AromaticContact CZ-CE1 3.99Å; F879-F883 HydrophobicContact CZ-CE1 3.99Å; F879-F883 HydrophobicContact CZ-CZ 4.28Å; S880-F883 WeakPolarHBondContact O-CB 3.39Å; S880-F883 PolarHBondContact O-N 3.37Å; E881-F883 VanDerWaalsContact C-N 3.28Å; F883-L887 HydrophobicContact CB-CB 4.47Å; F883-L887 HydrophobicContact CB-CD2 4.11Å; F883-L887 HydrophobicContact CB-CG 4.28Å; F883-L887 HydrophobicContact CD1-CD2 4.24Å; F883-L887 HydrophobicContact CD2-CD2 4.34Å; F883-L887 HydrophobicContact CD2-CG 4.3Å; F883-L887 HydrophobicContact CG-CD2 3.99Å; F883-L887 HydrophobicContact CG-CG 4.31Å; F883-K888 HydrophobicContact CB-CB 4.22Å; F883-L891 HydrophobicContact CD2-CD1 4.08Å; F883-L891 HydrophobicContact CE2-CD1 3.71Å |
| 884 | P | 87.3 | Confident | 87.5 | Confident | 73 Ų | 73 | 79.5 Ų | 79.5 | 47% | 0.474 | 41% | 0.41 | S | S | . | . | trans | -54.1 | 145.8 | 165 | -25.1 | 34.7 | 0 | 0 | 0 | 111.1 | L886 L887 K888 | P884-L886 VanDerWaalsContact C-N 3.26Å; P884-L886 PolarHBondContact O-N 3.39Å; P884-L886 VanDerWaalsContact O-N 3.16Å; P884-L887 HydrophobicContact CB-CB 4.33Å; P884-L887 WeakPolarHBondContact O-CB 3.48Å; P884-L887 PolarHBondContact O-N 3.46Å; P884-K888 PolarHBondContact O-N 3.25Å; P884-K888 VanDerWaalsContact O-N 3.08Å | ||
| 885 | P | 86.9 | Confident | 87.7 | Confident | 107 Ų | 107 | 72.6 Ų | 72.6 | 70% | 0.695 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -52.8 | -42.9 | -176.1 | -28.7 | 34.9 | 0 | 0 | 0 | 113.7 | L887 K888 E889 | P885-L887 PolarHBondContact O-N 3.27Å; P885-K888 PolarHBondContact O-N 3.04Å; P885-E889 PolarHBondContact O-N 3.07Å |
| 886 | L | 83.9 | Confident | 87.7 | Confident | 111 Ų | 111 | 70.7 Ų | 70.7 | 58% | 0.581 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -66.7 | -37.2 | -179.1 | -157.7 | 117.2 | 0 | 0 | 0 | 112.7 | P884 R890 | P884-L886 VanDerWaalsContact C-N 3.26Å; P884-L886 PolarHBondContact O-N 3.39Å; P884-L886 VanDerWaalsContact O-N 3.16Å; L886-R890 WeakPolarHBondContact O-CG 3.46Å; L886-R890 PolarHBondContact O-N 3.07Å; L886-R890 VanDerWaalsContact O-N 3.07Å |
| 887 | L | 87.8 | Confident | 87.5 | Confident | 12 Ų | 12 | 72 Ų | 72 | 6% | 0.063 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.7 | -47.7 | 175.2 | 174.6 | 57.2 | 0 | 0 | 0 | 110.3 | D844 A847 F883 P884 P885 E889 R890 L891 | D844-L887 HydrophobicContact CB-CD1 4.43Å; D844-L887 HydrophobicContact CB-CD2 4.06Å; A847-L887 HydrophobicContact CB-CD1 3.16Å; F883-L887 HydrophobicContact CB-CB 4.47Å; F883-L887 HydrophobicContact CB-CD2 4.11Å; F883-L887 HydrophobicContact CB-CG 4.28Å; F883-L887 HydrophobicContact CD1-CD2 4.24Å; F883-L887 HydrophobicContact CD2-CD2 4.34Å; F883-L887 HydrophobicContact CD2-CG 4.3Å; F883-L887 HydrophobicContact CG-CD2 3.99Å; F883-L887 HydrophobicContact CG-CG 4.31Å; P884-L887 HydrophobicContact CB-CB 4.33Å; P884-L887 WeakPolarHBondContact O-CB 3.48Å; P884-L887 PolarHBondContact O-N 3.46Å; P885-L887 PolarHBondContact O-N 3.27Å; L887-E889 PolarHBondContact O-N 3.37Å; L887-R890 PolarHBondContact O-N 3.4Å; L887-L891 HydrophobicContact CD1-CD1 3.76Å; L887-L891 HydrophobicContact CD1-CG 4.03Å; L887-L891 HydrophobicContact CG-CD1 4.04Å; L887-L891 WeakPolarHBondContact O-CG 3.44Å; L887-L891 PolarHBondContact O-N 2.93Å |
| 888 | K | 88.3 | Confident | 87.5 | Confident | 91 Ų | 91 | 69.7 Ų | 69.7 | 40% | 0.396 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 179.7 | -169.5 | 170.6 | -173.4 | 159.6 | 0 | 112 | F883 P884 P885 A892 | F883-K888 HydrophobicContact CB-CB 4.22Å; P884-K888 PolarHBondContact O-N 3.25Å; P884-K888 VanDerWaalsContact O-N 3.08Å; P885-K888 PolarHBondContact O-N 3.04Å; K888-A892 WeakPolarHBondContact O-CB 3.44Å; K888-A892 PolarHBondContact O-N 3.16Å |
| 889 | E | 88.3 | Confident | 87.5 | Confident | 140 Ų | 140 | 66.9 Ų | 66.9 | 65% | 0.654 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.4 | -45.5 | 176.8 | -77.4 | -177.4 | 166.5 | 0 | 0 | 112.3 | P885 L887 A892 A893 | P885-E889 PolarHBondContact O-N 3.07Å; L887-E889 PolarHBondContact O-N 3.37Å; E889-A892 PolarHBondContact O-N 2.83Å; E889-A893 VanDerWaalsContact O-CB 3.25Å; E889-A893 WeakPolarHBondContact O-CB 3.5Å; E889-A893 PolarHBondContact O-N 3Å |
| 890 | R | 87.9 | Confident | 87.5 | Confident | 95 Ų | 95 | 68.4 Ų | 68.4 | 36% | 0.358 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 178.5 | -78.6 | -170 | 177.5 | -171.1 | 0.9 | 111.9 | A847 L886 L887 A892 A893 F894 | A847-R890 HydrophobicContact CB-CB 4.29Å; A847-R890 VanDerWaalsContact O-CD 3.27Å; A847-R890 WeakPolarHBondContact O-CD 3.42Å; A847-R890 PolarHBondContact O-NH1 3.33Å; L886-R890 WeakPolarHBondContact O-CG 3.46Å; L886-R890 PolarHBondContact O-N 3.07Å; L886-R890 VanDerWaalsContact O-N 3.07Å; L887-R890 PolarHBondContact O-N 3.4Å; R890-A892 PolarHBondContact O-N 3.25Å; R890-A893 PolarHBondContact O-N 3.39Å; R890-F894 WeakPolarHBondContact O-CD2 3.39Å; R890-F894 PolarHBondContact O-N 2.86Å |
| 891 | L | 90.8 | Very high | 87.5 | Confident | 2 Ų | 2 | 71.9 Ų | 71.9 | 1% | 0.01 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.6 | -41.9 | -179.2 | -69.6 | 174.5 | 0 | 0 | 0 | 112.1 | C843 V846 A847 L864 F883 L887 Y895 G896 V897 | C843-L891 HydrophobicContact CB-CD1 3.87Å; V846-L891 HydrophobicContact CG1-CD2 4.41Å; A847-L891 HydrophobicContact CB-CD2 4.1Å; A847-L891 HydrophobicContact CB-CG 4.24Å; L864-L891 HydrophobicContact CD1-CD2 4.18Å; F883-L891 HydrophobicContact CD2-CD1 4.08Å; F883-L891 HydrophobicContact CE2-CD1 3.71Å; L887-L891 HydrophobicContact CD1-CD1 3.76Å; L887-L891 HydrophobicContact CD1-CG 4.03Å; L887-L891 HydrophobicContact CG-CD1 4.04Å; L887-L891 WeakPolarHBondContact O-CG 3.44Å; L887-L891 PolarHBondContact O-N 2.93Å; L891-Y895 HydrophobicContact CD2-CD2 3.95Å; L891-Y895 HydrophobicContact CD2-CE2 4.26Å; L891-Y895 WeakPolarHBondContact O-CA 3.37Å; L891-Y895 WeakPolarHBondContact O-CB 3.49Å; L891-Y895 PolarHBondContact O-N 3.01Å; L891-G896 PolarHBondContact O-N 3.05Å; L891-V897 HydrophobicContact CB-CG2 4.25Å |
| 892 | A | 88.9 | Confident | 87.6 | Confident | 52 Ų | 52 | 67.4 Ų | 67.4 | 43% | 0.43 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | K888 E889 R890 G896 | K888-A892 WeakPolarHBondContact O-CB 3.44Å; K888-A892 PolarHBondContact O-N 3.16Å; E889-A892 PolarHBondContact O-N 2.83Å; R890-A892 PolarHBondContact O-N 3.25Å; A892-G896 WeakPolarHBondContact O-CA 3.41Å; A892-G896 PolarHBondContact O-N 3.4Å; A892-G896 VanDerWaalsContact O-N 3.09Å |
| 893 | A | 87.3 | Confident | 87.6 | Confident | 80 Ų | 80 | 63.1 Ų | 63.1 | 66% | 0.661 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -67.4 | -43 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E889 R890 | E889-A893 VanDerWaalsContact O-CB 3.25Å; E889-A893 WeakPolarHBondContact O-CB 3.5Å; E889-A893 PolarHBondContact O-N 3Å; R890-A893 PolarHBondContact O-N 3.39Å |
| 894 | F | 84.9 | Confident | 87.6 | Confident | 80 Ų | 80 | 66.4 Ų | 66.4 | 35% | 0.351 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -90.3 | -32 | -174.4 | -77.1 | -76.9 | 0 | 0 | 0 | 114 | R857 R890 | R857-F894 PolarHBondContact NE-O 3.17Å; R857-F894 PolarHBondContact NH2-O 3.21Å; R890-F894 WeakPolarHBondContact O-CD2 3.39Å; R890-F894 PolarHBondContact O-N 2.86Å |
| 895 | Y | 91.6 | Very high | 87.6 | Confident | 8 Ų | 8 | 65.9 Ų | 65.9 | 3% | 0.031 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -128 | -9.3 | -169.3 | -50.1 | -76.1 | 0 | 0 | 0 | 114.5 | V846 R857 F860 L864 H865 L891 V897 | V846-Y895 HydrophobicContact CG1-CD2 4.37Å; V846-Y895 HydrophobicContact CG1-CE2 3.61Å; R857-Y895 HydrophobicContact CG-CD1 4.36Å; R857-Y895 HydrophobicContact CG-CE1 3.68Å; F860-Y895 HydrophobicContact CB-CD1 4.16Å; F860-Y895 HydrophobicContact CB-CE1 3.63Å; F860-Y895 HydrophobicContact CD2-CE1 4.05Å; F860-Y895 AromaticContact CD2-CZ 3.96Å; F860-Y895 WeakPolarHBondContact CD2-OH 3.47Å; F860-Y895 HydrophobicContact CG-CE1 4.36Å; L864-Y895 HydrophobicContact CD1-CD1 4.24Å; L864-Y895 HydrophobicContact CD1-CD2 3.83Å; L864-Y895 HydrophobicContact CD1-CG 3.67Å; H865-Y895 PolarHBondContact NE2-O 2.62Å; L891-Y895 HydrophobicContact CD2-CD2 3.95Å; L891-Y895 HydrophobicContact CD2-CE2 4.26Å; L891-Y895 WeakPolarHBondContact O-CA 3.37Å; L891-Y895 WeakPolarHBondContact O-CB 3.49Å; L891-Y895 PolarHBondContact O-N 3.01Å; Y895-V897 PolarHBondContact O-N 3.48Å |
| 896 | G | 87.8 | Confident | 87.7 | Confident | 50 Ų | 50 | 62.5 Ų | 62.5 | 52% | 0.515 | 35% | 0.352 | S | S | . | . | trans | 68.9 | 30.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L891 A892 | L891-G896 PolarHBondContact O-N 3.05Å; A892-G896 WeakPolarHBondContact O-CA 3.41Å; A892-G896 PolarHBondContact O-N 3.4Å; A892-G896 VanDerWaalsContact O-N 3.09Å | ||
| 897 | V | 84.8 | Confident | 88 | Confident | 29 Ų | 29 | 58.1 Ų | 58.1 | 18% | 0.176 | 33% | 0.331 | C | S | . | . | trans | -115 | 0 | 177.9 | -66.8 | 0 | 0 | 0 | 0 | 113.3 | L864 H865 K868 W876 L891 Y895 | L864-V897 HydrophobicContact CB-CG1 4.15Å; L864-V897 HydrophobicContact CB-CG2 4.14Å; L864-V897 HydrophobicContact CD1-CG2 4.12Å; L864-V897 HydrophobicContact CG-CG2 4.5Å; H865-V897 VanDerWaalsContact NE2-CG1 3.32Å; H865-V897 WeakPolarHBondContact NE2-CG1 3.25Å; K868-V897 HydrophobicContact CD-CG1 4.33Å; W876-V897 HydrophobicContact CZ2-CB 3.73Å; W876-V897 HydrophobicContact CZ2-CG2 3.99Å; W876-V897 PolarHBondContact NE1-OXT 2.98Å; L891-V897 HydrophobicContact CB-CG2 4.25Å; Y895-V897 PolarHBondContact O-N 3.48Å |
Retrieved 897 of 897 residues in 586.1 ms
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