| 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 | 44.8 | Very low | 60 | Low | 207 Ų | 207 | 111.6 Ų | 111.6 | 100% | 1.02 | 61% | 0.605 | S | S | * | * | 0 | 78.6 | 0 | -77.8 | -73.8 | -164.6 | 0 | 0 | 105.4 | Y3 | M1-Y3 HydrophobicContact CB-CD2 4.45Å; M1-Y3 HydrophobicContact CB-CE2 4.24Å; M1-Y3 PolarHBondContact O-N 2.97Å; M1-Y3 VanDerWaalsContact O-N 3.14Å | |||
| 2 | D | 47.5 | Very low | 61.8 | Low | 165 Ų | 165 | 111.8 Ų | 111.8 | 88% | 0.882 | 60% | 0.599 | S | S | * | * | trans | -78.4 | 96.3 | 178.2 | -64.1 | -56.2 | 0 | 0 | 0 | 107.4 | S4 | D2-S4 PolarHBondContact O-N 3.27Š| ||
| 3 | Y | 46.2 | Very low | 63.8 | Low | 205 Ų | 205 | 109 Ų | 109 | 80% | 0.804 | 59% | 0.594 | S | S | * | * | trans | -74.6 | 81.3 | 167.5 | -77 | -89.6 | 0 | 0 | 0 | 107.6 | M1 S5 | M1-Y3 HydrophobicContact CB-CD2 4.45Å; M1-Y3 HydrophobicContact CB-CE2 4.24Å; M1-Y3 PolarHBondContact O-N 2.97Å; M1-Y3 VanDerWaalsContact O-N 3.14Å; Y3-S5 PolarHBondContact O-N 3.4Å | ||
| 4 | S | 53.1 | Low | 65.5 | Low | 107 Ų | 107 | 107.6 Ų | 107.6 | 75% | 0.748 | 58% | 0.581 | S | S | * | * | trans | -73.1 | 81.9 | 154.8 | -87.1 | 0 | 0 | 0 | 0 | 106.8 | D2 D6 | D2-S4 PolarHBondContact O-N 3.27Å; S4-D6 PolarHBondContact O-N 3.36Å; S4-D6 VanDerWaalsContact O-N 3.1Å | ||
| 5 | S | 52.8 | Low | 67 | Low | 75 Ų | 75 | 101.5 Ų | 101.5 | 52% | 0.524 | 55% | 0.548 | S | S | . | . | trans | -64.6 | 106.3 | 161.6 | 37.1 | 0 | 0 | 0 | 0 | 106.7 | Y3 | Y3-S5 PolarHBondContact O-N 3.4Š| ||
| 6 | D | 61.1 | Low | 68.5 | Low | 102 Ų | 102 | 101.4 Ų | 101.4 | 55% | 0.545 | 55% | 0.546 | S | S | . | . | trans | -58 | 122.2 | 174 | -72.8 | -49.9 | 0 | 0 | 0 | 107.7 | S4 L8 T9 D10 | S4-D6 PolarHBondContact O-N 3.36Å; S4-D6 VanDerWaalsContact O-N 3.1Å; D6-L8 PolarHBondContact O-N 3.19Å; D6-T9 WeakPolarHBondContact O-CA 3.44Å; D6-T9 WeakPolarHBondContact O-CB 3.46Å; D6-T9 PolarHBondContact O-N 3.09Å; D6-D10 PolarHBondContact O-N 3.28Å | ||
| 7 | P | 64.4 | Low | 69.9 | Low | 85 Ų | 85 | 100.1 Ų | 100.1 | 55% | 0.552 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.5 | -20.7 | -175.3 | 23.9 | -34.4 | 0 | 0 | 0 | 112.6 | C11 | P7-C11 PolarHBondContact O-N 2.76Å; P7-C11 VanDerWaalsContact O-N 3.1Å |
| 8 | L | 63.5 | Low | 71.2 | Confident | 116 Ų | 116 | 96.2 Ų | 96.2 | 61% | 0.607 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67 | -40.2 | 171.9 | -73.3 | 160.3 | 0 | 0 | 0 | 112 | D6 D10 C11 Q12 | D6-L8 PolarHBondContact O-N 3.19Å; L8-D10 VanDerWaalsContact C-N 3.34Å; L8-C11 WeakPolarHBondContact O-CB 3.46Å; L8-C11 PolarHBondContact O-N 3.06Å; L8-Q12 PolarHBondContact O-N 3.36Å; L8-Q12 VanDerWaalsContact O-N 3.12Å |
| 9 | T | 71.5 | Confident | 72.4 | Confident | 83 Ų | 83 | 95.3 Ų | 95.3 | 51% | 0.509 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.4 | -38.7 | 176.8 | -53.9 | 0 | 0 | 0 | 0 | 110.8 | D6 Q12 S13 | D6-T9 WeakPolarHBondContact O-CA 3.44Å; D6-T9 WeakPolarHBondContact O-CB 3.46Å; D6-T9 PolarHBondContact O-N 3.09Å; T9-Q12 PolarHBondContact O-N 3.4Å; T9-S13 WeakPolarHBondContact O-CB 3.45Å; T9-S13 PolarHBondContact O-N 3.19Å |
| 10 | D | 77.3 | Confident | 73.5 | Confident | 67 Ų | 67 | 95.1 Ų | 95.1 | 36% | 0.358 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.5 | -37.3 | 176.9 | -65.3 | -23 | 0 | 0 | 0 | 111.7 | D6 L8 Q14 | D6-D10 PolarHBondContact O-N 3.28Å; L8-D10 VanDerWaalsContact C-N 3.34Å; D10-Q14 WeakPolarHBondContact O-CB 3.39Å; D10-Q14 VanDerWaalsContact O-CG 3.29Å; D10-Q14 WeakPolarHBondContact O-CG 3.44Å; D10-Q14 PolarHBondContact O-N 3.34Å; D10-Q14 PolarHBondContact O-NE2 3.49Å |
| 11 | C | 77.6 | Confident | 74.5 | Confident | 16 Ų | 16 | 96 Ų | 96 | 11% | 0.108 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -59 | -53.4 | 172.7 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | P7 L8 S13 Q14 M15 I86 | P7-C11 PolarHBondContact O-N 2.76Å; P7-C11 VanDerWaalsContact O-N 3.1Å; L8-C11 WeakPolarHBondContact O-CB 3.46Å; L8-C11 PolarHBondContact O-N 3.06Å; C11-S13 VanDerWaalsContact C-N 3.32Å; C11-S13 PolarHBondContact O-N 3.35Å; C11-Q14 PolarHBondContact O-N 3.26Å; C11-M15 PolarHBondContact O-N 3.17Å; C11-I86 HydrophobicContact CB-CD1 3.53Å; C11-I86 WeakPolarHBondContact SG-CD1 3.39Å |
| 12 | Q | 82.3 | Confident | 76.8 | Confident | 114 Ų | 114 | 86.3 Ų | 86.3 | 53% | 0.533 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.7 | -40.6 | -177.5 | -172.2 | -178.9 | 87.8 | 0 | 0 | 111.2 | L8 T9 Q14 M15 L16 | L8-Q12 PolarHBondContact O-N 3.36Å; L8-Q12 VanDerWaalsContact O-N 3.12Å; T9-Q12 PolarHBondContact O-N 3.4Å; Q12-Q14 PolarHBondContact O-N 2.91Å; Q12-M15 WeakPolarHBondContact O-CB 3.46Å; Q12-M15 PolarHBondContact O-N 3.47Å; Q12-L16 HydrophobicContact CG-CD1 4.38Å; Q12-L16 WeakPolarHBondContact O-CG 3.4Å; Q12-L16 PolarHBondContact O-N 3.24Å |
| 13 | S | 87.4 | Confident | 78.9 | Confident | 75 Ų | 75 | 86.1 Ų | 86.1 | 52% | 0.524 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.6 | -41 | 176 | -171.8 | 0 | 0 | 0 | 0 | 112.3 | T9 C11 M15 L16 S17 | T9-S13 WeakPolarHBondContact O-CB 3.45Å; T9-S13 PolarHBondContact O-N 3.19Å; C11-S13 VanDerWaalsContact C-N 3.32Å; C11-S13 PolarHBondContact O-N 3.35Å; S13-M15 VanDerWaalsContact C-N 3.31Å; S13-L16 PolarHBondContact O-N 2.94Å; S13-S17 WeakPolarHBondContact O-CB 3.32Å; S13-S17 PolarHBondContact O-N 3.24Å |
| 14 | Q | 87.3 | Confident | 81.1 | Confident | 90 Ų | 90 | 81.4 Ų | 81.4 | 42% | 0.421 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 174.5 | -76.5 | 175.8 | 74.9 | 0 | 0 | 111.4 | D10 C11 Q12 S17 F18 | D10-Q14 WeakPolarHBondContact O-CB 3.39Å; D10-Q14 VanDerWaalsContact O-CG 3.29Å; D10-Q14 WeakPolarHBondContact O-CG 3.44Å; D10-Q14 PolarHBondContact O-N 3.34Å; D10-Q14 PolarHBondContact O-NE2 3.49Å; C11-Q14 PolarHBondContact O-N 3.26Å; Q12-Q14 PolarHBondContact O-N 2.91Å; Q14-S17 PolarHBondContact O-N 2.95Å; Q14-F18 WeakPolarHBondContact O-CB 3.27Å; Q14-F18 PolarHBondContact O-N 3.28Å |
| 15 | M | 88.8 | Confident | 82.8 | Confident | 16 Ų | 16 | 79.7 Ų | 79.7 | 8% | 0.079 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 177.7 | -166.7 | 54.7 | 56.4 | 0 | 0 | 112.4 | C11 Q12 S13 F18 W19 E79 L82 R83 | C11-M15 PolarHBondContact O-N 3.17Å; Q12-M15 WeakPolarHBondContact O-CB 3.46Å; Q12-M15 PolarHBondContact O-N 3.47Å; S13-M15 VanDerWaalsContact C-N 3.31Å; M15-F18 WeakPolarHBondContact O-CB 3.14Å; M15-F18 PolarHBondContact O-N 3.17Å; M15-F18 HydrophobicContact SD-CD1 4.15Å; M15-W19 VanDerWaalsContact O-CD1 3.22Å; M15-W19 PolarHBondContact O-N 3.26Å; M15-E79 HydrophobicContact CE-CG 4Å; M15-E79 HydrophobicContact SD-CG 3.64Å; M15-E79 VanDerWaalsContact SD-OE1 3.33Å; M15-L82 HydrophobicContact CE-CB 4.49Å; M15-L82 HydrophobicContact CE-CD2 4.05Å; M15-L82 HydrophobicContact CE-CG 4.44Å; M15-R83 HydrophobicContact CE-CG 3.33Å |
| 16 | L | 90.4 | Very high | 84.5 | Confident | 100 Ų | 100 | 79.8 Ų | 79.8 | 52% | 0.524 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.7 | -47 | 176.1 | -70 | 172.6 | 0 | 0 | 0 | 111.1 | Q12 S13 F18 W19 D20 | Q12-L16 HydrophobicContact CG-CD1 4.38Å; Q12-L16 WeakPolarHBondContact O-CG 3.4Å; Q12-L16 PolarHBondContact O-N 3.24Å; S13-L16 PolarHBondContact O-N 2.94Å; L16-F18 VanDerWaalsContact C-N 3.29Å; L16-F18 PolarHBondContact O-N 3.49Å; L16-W19 PolarHBondContact O-N 3.24Å; L16-D20 PolarHBondContact O-N 3.01Å |
| 17 | S | 92.9 | Very high | 85.8 | Confident | 78 Ų | 78 | 81.6 Ų | 81.6 | 55% | 0.545 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.5 | -37.4 | 176.5 | -178.2 | 0 | 0 | 0 | 0 | 112.5 | S13 Q14 L21 | S13-S17 WeakPolarHBondContact O-CB 3.32Å; S13-S17 PolarHBondContact O-N 3.24Å; Q14-S17 PolarHBondContact O-N 2.95Å; S17-L21 WeakPolarHBondContact O-CB 3.4Å; S17-L21 PolarHBondContact O-N 3.29Å; S17-L21 VanDerWaalsContact O-N 3.08Å |
| 18 | F | 93.3 | Very high | 86.7 | Confident | 31 Ų | 31 | 80.3 Ų | 80.3 | 14% | 0.136 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -61.5 | -50.5 | 174.2 | 166.7 | -103 | 0 | 0 | 0 | 110.6 | Q14 M15 L16 D20 L21 I22 R78 E79 L82 | Q14-F18 WeakPolarHBondContact O-CB 3.27Å; Q14-F18 PolarHBondContact O-N 3.28Å; M15-F18 WeakPolarHBondContact O-CB 3.14Å; M15-F18 PolarHBondContact O-N 3.17Å; M15-F18 HydrophobicContact SD-CD1 4.15Å; L16-F18 VanDerWaalsContact C-N 3.29Å; L16-F18 PolarHBondContact O-N 3.49Å; F18-D20 PolarHBondContact O-N 3.29Å; F18-L21 WeakPolarHBondContact O-CB 3.42Å; F18-L21 PolarHBondContact O-N 3.14Å; F18-I22 HydrophobicContact CD1-CG1 4.44Å; F18-I22 HydrophobicContact CD2-CG1 4.13Å; F18-I22 HydrophobicContact CE1-CG1 4.02Å; F18-I22 HydrophobicContact CE2-CD1 3.88Å; F18-I22 HydrophobicContact CE2-CG1 3.68Å; F18-I22 HydrophobicContact CG-CG1 4.5Å; F18-I22 HydrophobicContact CZ-CD1 4.08Å; F18-I22 HydrophobicContact CZ-CG1 3.62Å; F18-I22 WeakPolarHBondContact O-CG1 3.29Å; F18-I22 PolarHBondContact O-N 3.02Å; F18-R78 HydrophobicContact CE2-CB 4.04Å; F18-R78 HydrophobicContact CZ-CB 3.87Å; F18-E79 HydrophobicContact CE1-CB 4.01Å; F18-L82 HydrophobicContact CB-CD2 4.12Å; F18-L82 HydrophobicContact CG-CD2 4.37Å |
| 19 | W | 94.1 | Very high | 87.4 | Confident | 79 Ų | 79 | 78.6 Ų | 78.6 | 30% | 0.299 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.2 | -34.9 | -179.4 | -80.9 | 113.3 | 0 | 0 | 0 | 113.4 | M15 L16 I22 R23 E79 | M15-W19 VanDerWaalsContact O-CD1 3.22Å; M15-W19 PolarHBondContact O-N 3.26Å; L16-W19 PolarHBondContact O-N 3.24Å; W19-I22 HydrophobicContact CE3-CB 4.3Å; W19-I22 HydrophobicContact CE3-CG2 4.16Å; W19-I22 HydrophobicContact CZ3-CG2 4.13Å; W19-I22 PolarHBondContact O-N 3.32Å; W19-R23 VanDerWaalsContact O-CG 3.31Å; W19-R23 WeakPolarHBondContact O-CG 3.13Å; W19-R23 PolarHBondContact O-N 3.2Å; W19-E79 VanDerWaalsContact CZ2-OE2 3.31Å; W19-E79 WeakPolarHBondContact CZ2-OE2 3.39Å; W19-E79 PolarHBondContact NE1-OE1 3.5Å; W19-E79 VanDerWaalsContact NE1-OE1 3.08Å |
| 20 | D | 94.6 | Very high | 87.2 | Confident | 91 Ų | 91 | 81.8 Ų | 81.8 | 49% | 0.487 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 173 | -72.7 | -26.8 | 0 | 0 | 0 | 111.4 | L16 F18 R23 V24 | L16-D20 PolarHBondContact O-N 3.01Å; F18-D20 PolarHBondContact O-N 3.29Å; D20-R23 PolarHBondContact O-N 3.03Å; D20-V24 WeakPolarHBondContact O-CG2 3.42Å; D20-V24 PolarHBondContact O-N 3.29Å; D20-V24 VanDerWaalsContact O-N 3.16Å |
| 21 | L | 93.7 | Very high | 86.6 | Confident | 114 Ų | 114 | 84.1 Ų | 84.1 | 60% | 0.597 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62.4 | -45.3 | 174.7 | -178.2 | 66.9 | 0 | 0 | 0 | 111.5 | S17 F18 R23 V24 E25 | S17-L21 WeakPolarHBondContact O-CB 3.4Å; S17-L21 PolarHBondContact O-N 3.29Å; S17-L21 VanDerWaalsContact O-N 3.08Å; F18-L21 WeakPolarHBondContact O-CB 3.42Å; F18-L21 PolarHBondContact O-N 3.14Å; L21-R23 VanDerWaalsContact C-N 3.31Å; L21-R23 PolarHBondContact O-N 3.17Å; L21-V24 PolarHBondContact O-N 3Å; L21-E25 PolarHBondContact O-N 3.2Å |
| 22 | I | 93.1 | Very high | 85.9 | Confident | 4 Ų | 4 | 87.9 Ų | 87.9 | 2% | 0.021 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -62.6 | -37.6 | 178.2 | -68.5 | -52.7 | 0 | 0 | 0 | 111.5 | F18 W19 E25 I26 L75 | F18-I22 HydrophobicContact CD1-CG1 4.44Å; F18-I22 HydrophobicContact CD2-CG1 4.13Å; F18-I22 HydrophobicContact CE1-CG1 4.02Å; F18-I22 HydrophobicContact CE2-CD1 3.88Å; F18-I22 HydrophobicContact CE2-CG1 3.68Å; F18-I22 HydrophobicContact CG-CG1 4.5Å; F18-I22 HydrophobicContact CZ-CD1 4.08Å; F18-I22 HydrophobicContact CZ-CG1 3.62Å; F18-I22 WeakPolarHBondContact O-CG1 3.29Å; F18-I22 PolarHBondContact O-N 3.02Å; W19-I22 HydrophobicContact CE3-CB 4.3Å; W19-I22 HydrophobicContact CE3-CG2 4.16Å; W19-I22 HydrophobicContact CZ3-CG2 4.13Å; W19-I22 PolarHBondContact O-N 3.32Å; I22-E25 WeakPolarHBondContact O-CB 3.31Å; I22-E25 PolarHBondContact O-N 3.25Å; I22-I26 HydrophobicContact CG2-CD1 3.59Å; I22-I26 HydrophobicContact CG2-CG1 4.21Å; I22-I26 WeakPolarHBondContact O-CB 3.28Å; I22-I26 VanDerWaalsContact O-CG1 3.23Å; I22-I26 WeakPolarHBondContact O-CG1 3.4Å; I22-I26 PolarHBondContact O-N 2.97Å; I22-L75 HydrophobicContact CB-CD2 4.44Å; I22-L75 HydrophobicContact CD1-CD2 3.49Å; I22-L75 VanDerWaalsContact CD1-CD2 3.49Å; I22-L75 HydrophobicContact CG1-CD2 3.86Å; I22-L75 HydrophobicContact CG2-CD1 3.83Å; I22-L75 HydrophobicContact CG2-CD2 3.67Å; I22-L75 HydrophobicContact CG2-CG 4.4Å |
| 23 | R | 92.5 | Very high | 84.9 | Confident | 161 Ų | 161 | 90.2 Ų | 90.2 | 61% | 0.608 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.7 | -47.6 | 175.3 | -75.8 | 173.5 | -176.6 | -169.7 | 2.6 | 111.6 | W19 D20 L21 E25 I26 D27 | W19-R23 VanDerWaalsContact O-CG 3.31Å; W19-R23 WeakPolarHBondContact O-CG 3.13Å; W19-R23 PolarHBondContact O-N 3.2Å; D20-R23 PolarHBondContact O-N 3.03Å; L21-R23 VanDerWaalsContact C-N 3.31Å; L21-R23 PolarHBondContact O-N 3.17Å; R23-E25 VanDerWaalsContact C-N 3.3Å; R23-E25 PolarHBondContact O-N 3.47Å; R23-I26 PolarHBondContact O-N 3.06Å; R23-D27 VanDerWaalsContact O-CG 3.3Å; R23-D27 PolarHBondContact O-N 3.09Å |
| 24 | V | 92.4 | Very high | 83.7 | Confident | 105 Ų | 105 | 90 Ų | 90 | 64% | 0.636 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.2 | -39.6 | 176.1 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | D20 L21 G28 | D20-V24 WeakPolarHBondContact O-CG2 3.42Å; D20-V24 PolarHBondContact O-N 3.29Å; D20-V24 VanDerWaalsContact O-N 3.16Å; L21-V24 PolarHBondContact O-N 3Å; V24-G28 PolarHBondContact O-N 3.41Å; V24-G28 VanDerWaalsContact O-N 3.12Å |
| 25 | E | 88.4 | Confident | 82.5 | Confident | 72 Ų | 72 | 87.8 Ų | 87.8 | 34% | 0.336 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.7 | -48.6 | 174.9 | -173.6 | -171.6 | 141 | 0 | 0 | 111 | L21 I22 R23 G28 L29 K71 | L21-E25 PolarHBondContact O-N 3.2Å; I22-E25 WeakPolarHBondContact O-CB 3.31Å; I22-E25 PolarHBondContact O-N 3.25Å; R23-E25 VanDerWaalsContact C-N 3.3Å; R23-E25 PolarHBondContact O-N 3.47Å; E25-G28 PolarHBondContact O-N 3.5Å; E25-G28 VanDerWaalsContact O-N 3.15Å; E25-L29 WeakPolarHBondContact O-CG 3.13Å; E25-L29 PolarHBondContact O-N 3.49Å; E25-K71 IonicContact OE1-NZ 2.85Å; E25-K71 PolarHBondContact OE1-NZ 3.32Å |
| 26 | I | 88.1 | Confident | 81.6 | Confident | 76 Ų | 76 | 90.3 Ų | 90.3 | 39% | 0.39 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.6 | -42.7 | -179.2 | -70.4 | 168.9 | 0 | 0 | 0 | 111.3 | I22 R23 G28 L29 L75 | I22-I26 HydrophobicContact CG2-CD1 3.59Å; I22-I26 HydrophobicContact CG2-CG1 4.21Å; I22-I26 WeakPolarHBondContact O-CB 3.28Å; I22-I26 VanDerWaalsContact O-CG1 3.23Å; I22-I26 WeakPolarHBondContact O-CG1 3.4Å; I22-I26 PolarHBondContact O-N 2.97Å; R23-I26 PolarHBondContact O-N 3.06Å; I26-G28 PolarHBondContact O-N 3.37Å; I26-L29 HydrophobicContact CG1-CD1 4.4Å; I26-L29 WeakPolarHBondContact O-CB 3.31Å; I26-L29 PolarHBondContact O-N 2.88Å; I26-L29 VanDerWaalsContact O-N 3.13Å; I26-L75 HydrophobicContact CD1-CD1 4.25Å |
| 27 | D | 87.8 | Confident | 80.5 | Confident | 140 Ų | 140 | 91.3 Ų | 91.3 | 75% | 0.749 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.9 | -26.6 | 177 | -69.9 | -21.1 | 0 | 0 | 0 | 112.2 | R23 | R23-D27 VanDerWaalsContact O-CG 3.3Å; R23-D27 PolarHBondContact O-N 3.09Å |
| 28 | G | 83.4 | Confident | 79.6 | Confident | 59 Ų | 59 | 93.1 Ų | 93.1 | 61% | 0.608 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -9.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115 | V24 E25 I26 K30 | V24-G28 PolarHBondContact O-N 3.41Å; V24-G28 VanDerWaalsContact O-N 3.12Å; E25-G28 PolarHBondContact O-N 3.5Å; E25-G28 VanDerWaalsContact O-N 3.15Å; I26-G28 PolarHBondContact O-N 3.37Å; G28-K30 PolarHBondContact O-N 3.24Å; G28-K30 VanDerWaalsContact O-N 3.17Å |
| 29 | L | 78.4 | Confident | 79 | Confident | 79 Ų | 79 | 93.8 Ų | 93.8 | 41% | 0.414 | 50% | 0.501 | S | S | . | . | trans | -68.4 | 114.4 | 179.4 | -69.6 | 171.5 | 0 | 0 | 0 | 109.8 | E25 I26 C31 | E25-L29 WeakPolarHBondContact O-CG 3.13Å; E25-L29 PolarHBondContact O-N 3.49Å; I26-L29 HydrophobicContact CG1-CD1 4.4Å; I26-L29 WeakPolarHBondContact O-CB 3.31Å; I26-L29 PolarHBondContact O-N 2.88Å; I26-L29 VanDerWaalsContact O-N 3.13Å; L29-C31 PolarHBondContact O-N 2.88Å | ||
| 30 | K | 68.4 | Low | 78.7 | Confident | 151 Ų | 151 | 96 Ų | 96 | 66% | 0.657 | 52% | 0.52 | S | S | * | . | trans | -63.5 | 137.3 | 172.4 | -66.2 | -178.5 | 178.9 | 176.9 | 0 | 109.4 | G28 D32 | G28-K30 PolarHBondContact O-N 3.24Å; G28-K30 VanDerWaalsContact O-N 3.17Å; K30-D32 HydrophobicContact CB-CB 4.4Å; K30-D32 PolarHBondContact O-N 3.48Å | ||
| 31 | C | 63 | Low | 78.5 | Confident | 115 Ų | 115 | 94.4 Ų | 94.4 | 78% | 0.777 | 51% | 0.511 | S | S | * | . | trans | -70.4 | 25.8 | 173.3 | -157.5 | 0 | 0 | 0 | 0 | 112.7 | L29 H33 | L29-C31 PolarHBondContact O-N 2.88Å; C31-H33 PolarHBondContact O-N 2.84Å | ||
| 32 | D | 63 | Low | 78.5 | Confident | 96 Ų | 96 | 93 Ų | 93 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | trans | -80.3 | 123.1 | 178.6 | -67.7 | -26.9 | 0 | 0 | 0 | 108.1 | K30 A34 A35 | K30-D32 HydrophobicContact CB-CB 4.4Å; K30-D32 PolarHBondContact O-N 3.48Å; D32-A34 PolarHBondContact O-N 3.03Å; D32-A35 WeakPolarHBondContact O-CB 3.44Å; D32-A35 PolarHBondContact O-N 3.09Å | ||
| 33 | H | 61.8 | Low | 78.5 | Confident | 163 Ų | 163 | 95.8 Ų | 95.8 | 76% | 0.755 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -21.1 | 177.8 | -68.2 | -67.5 | 0 | 0 | 0 | 114 | C31 | C31-H33 PolarHBondContact O-N 2.84Š|
| 34 | A | 62.5 | Low | 78.5 | Confident | 71 Ų | 71 | 91.4 Ų | 91.4 | 59% | 0.587 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -34.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D32 F36 K37 | D32-A34 PolarHBondContact O-N 3.03Å; A34-F36 PolarHBondContact O-N 3.18Å; A34-K37 PolarHBondContact O-N 3.42Å; A34-K37 VanDerWaalsContact O-N 3.13Å |
| 35 | A | 62.3 | Low | 78.7 | Confident | 42 Ų | 42 | 93.8 Ų | 93.8 | 35% | 0.347 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -29.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112 | D32 Q39 | D32-A35 WeakPolarHBondContact O-CB 3.44Å; D32-A35 PolarHBondContact O-N 3.09Å; A35-Q39 PolarHBondContact O-NE2 3.46Å |
| 36 | F | 69.5 | Low | 79.1 | Confident | 70 Ų | 70 | 91.4 Ų | 91.4 | 31% | 0.307 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -8.8 | 180 | -57.9 | -64.7 | 0 | 0 | 0 | 114.3 | A34 I67 | A34-F36 PolarHBondContact O-N 3.18Å; F36-I67 HydrophobicContact CB-CD1 4.1Å; F36-I67 HydrophobicContact CB-CG2 3.78Å; F36-I67 HydrophobicContact CD1-CG2 3.26Å; F36-I67 HydrophobicContact CE1-CG2 4.04Å; F36-I67 HydrophobicContact CG-CG2 3.73Å |
| 37 | K | 66.8 | Low | 79.4 | Confident | 121 Ų | 121 | 92.3 Ų | 92.3 | 53% | 0.526 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -28.5 | 176.5 | -76.5 | -175.8 | 169.8 | -172.5 | 0 | 112.1 | A34 E356 | A34-K37 PolarHBondContact O-N 3.42Å; A34-K37 VanDerWaalsContact O-N 3.13Å; K37-E356 IonicContact NZ-OE1 2.74Å; K37-E356 PolarHBondContact NZ-OE1 3Å; K37-E356 IonicContact NZ-OE2 2.82Å; K37-E356 PolarHBondContact NZ-OE2 2.85Å |
| 38 | T | 74 | Confident | 79.7 | Confident | 116 Ų | 116 | 92.3 Ų | 92.3 | 71% | 0.712 | 50% | 0.503 | S | S | * | . | trans | -106.5 | 96.3 | 178.5 | 53.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 39 | Q | 82.1 | Confident | 80.3 | Confident | 44 Ų | 44 | 93.8 Ų | 93.8 | 21% | 0.206 | 50% | 0.496 | C | S | . | . | trans | -115.4 | 145.2 | 173 | -59.4 | -65.2 | -66.9 | 0 | 0 | 108.5 | A35 L41 L43 A70 | A35-Q39 PolarHBondContact O-NE2 3.46Å; Q39-L41 PolarHBondContact O-N 2.84Å; Q39-L43 HydrophobicContact CG-CD2 4.22Å; Q39-A70 HydrophobicContact CB-CB 3.98Å; Q39-A70 HydrophobicContact CG-CB 3.99Å | ||
| 40 | D | 87.2 | Confident | 81.1 | Confident | 127 Ų | 127 | 91.7 Ų | 91.7 | 68% | 0.679 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -60.9 | -29.1 | 177 | -72.6 | -27 | 0 | 0 | 0 | 111.9 | ||
| 41 | L | 91 | Very high | 82.3 | Confident | 57 Ų | 57 | 88 Ų | 88 | 30% | 0.298 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -105.1 | 131.7 | -179.1 | -63 | 173.4 | 0 | 0 | 0 | 111.3 | Q39 L43 I46 A73 | Q39-L41 PolarHBondContact O-N 2.84Å; L41-L43 PolarHBondContact O-N 3.35Å; L41-I46 HydrophobicContact CB-CD1 3.97Å; L41-A73 HydrophobicContact CD1-CB 3.52Å |
| 42 | P | 93 | Very high | 83.8 | Confident | 85 Ų | 85 | 88.8 Ų | 88.8 | 55% | 0.552 | 46% | 0.464 | S | S | * | . | trans | -69.5 | 119.3 | -177.9 | 24.3 | -31.2 | 0 | 0 | 0 | 112 | A44 R45 I46 | P42-A44 PolarHBondContact O-N 3.25Å; P42-A44 VanDerWaalsContact O-N 3.13Å; P42-R45 HydrophobicContact CB-CB 4.48Å; P42-R45 HydrophobicContact CG-CB 3.89Å; P42-R45 WeakPolarHBondContact O-CB 3.31Å; P42-R45 PolarHBondContact O-N 3.08Å; P42-I46 PolarHBondContact O-N 2.91Å | ||
| 43 | L | 93 | Very high | 85.2 | Confident | 61 Ų | 61 | 88.2 Ų | 88.2 | 32% | 0.319 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -54.8 | -36.3 | -178 | -59.4 | -175.8 | 0 | 0 | 0 | 113.2 | Q39 L41 R45 I46 K47 P66 I67 A70 | Q39-L43 HydrophobicContact CG-CD2 4.22Å; L41-L43 PolarHBondContact O-N 3.35Å; L43-R45 VanDerWaalsContact C-N 3.28Å; L43-R45 PolarHBondContact O-N 3.24Å; L43-I46 HydrophobicContact CD2-CD1 4.38Å; L43-I46 PolarHBondContact O-N 2.82Å; L43-K47 WeakPolarHBondContact O-CB 3.47Å; L43-K47 PolarHBondContact O-N 2.74Å; L43-P66 HydrophobicContact CB-CB 4.42Å; L43-P66 HydrophobicContact CD2-CB 4.25Å; L43-I67 HydrophobicContact CD1-CG1 4.11Å; L43-I67 HydrophobicContact CD2-CG1 4.37Å; L43-A70 HydrophobicContact CD2-CB 4.05Å |
| 44 | A | 93.3 | Very high | 86.5 | Confident | 70 Ų | 70 | 86.2 Ų | 86.2 | 58% | 0.579 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.8 | -33.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | P42 K48 | P42-A44 PolarHBondContact O-N 3.25Å; P42-A44 VanDerWaalsContact O-N 3.13Å; A44-K48 WeakPolarHBondContact O-CG 3.33Å; A44-K48 PolarHBondContact O-N 3.36Å |
| 45 | R | 96.4 | Very high | 87.6 | Confident | 154 Ų | 154 | 89.6 Ų | 89.6 | 58% | 0.581 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -74.7 | -42.7 | 177.1 | -176 | 55.8 | 171.5 | 158 | -2.5 | 111 | P42 L43 K48 I49 | P42-R45 HydrophobicContact CB-CB 4.48Å; P42-R45 HydrophobicContact CG-CB 3.89Å; P42-R45 WeakPolarHBondContact O-CB 3.31Å; P42-R45 PolarHBondContact O-N 3.08Å; L43-R45 VanDerWaalsContact C-N 3.28Å; L43-R45 PolarHBondContact O-N 3.24Å; R45-K48 WeakPolarHBondContact O-CB 3.39Å; R45-K48 PolarHBondContact O-N 2.91Å; R45-I49 HydrophobicContact CG-CD1 4.32Å; R45-I49 WeakPolarHBondContact O-CG1 3.43Å; R45-I49 PolarHBondContact O-N 2.98Å |
| 46 | I | 95.7 | Very high | 88.7 | Confident | 23 Ų | 23 | 90.1 Ų | 90.1 | 12% | 0.118 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -57.6 | -50.8 | 175.1 | -61.4 | 170.9 | 0 | 0 | 0 | 109.7 | L41 P42 L43 K48 I49 M50 P66 F69 A70 | L41-I46 HydrophobicContact CB-CD1 3.97Å; P42-I46 PolarHBondContact O-N 2.91Å; L43-I46 HydrophobicContact CD2-CD1 4.38Å; L43-I46 PolarHBondContact O-N 2.82Å; I46-K48 VanDerWaalsContact C-N 3.28Å; I46-K48 PolarHBondContact O-N 3.34Å; I46-I49 PolarHBondContact O-N 3.05Å; I46-M50 HydrophobicContact CG2-SD 4.23Å; I46-M50 WeakPolarHBondContact O-CG 3.49Å; I46-M50 PolarHBondContact O-N 3.19Å; I46-P66 HydrophobicContact CG2-CB 4.35Å; I46-F69 HydrophobicContact CG2-CB 3.65Å; I46-F69 HydrophobicContact CG2-CG 4.43Å; I46-A70 HydrophobicContact CD1-CB 3.58Å |
| 47 | K | 94 | Very high | 89.3 | Confident | 95 Ų | 95 | 92.4 Ų | 92.4 | 41% | 0.413 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.8 | -36 | 177.4 | -172.7 | 174.8 | -178 | 172.4 | 0 | 113.2 | L43 K51 I61 P66 | L43-K47 WeakPolarHBondContact O-CB 3.47Å; L43-K47 PolarHBondContact O-N 2.74Å; K47-K51 PolarHBondContact O-N 3.18Å; K47-I61 HydrophobicContact CG-CD1 4.23Å; K47-P66 HydrophobicContact CB-CG 4.42Å |
| 48 | K | 94.9 | Very high | 90.1 | Very high | 140 Ų | 140 | 92.8 Ų | 92.8 | 61% | 0.609 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.2 | -40.8 | 174.6 | -79.3 | 177.3 | -179.1 | -177.1 | 0 | 112 | A44 R45 I46 K51 L52 | A44-K48 WeakPolarHBondContact O-CG 3.33Å; A44-K48 PolarHBondContact O-N 3.36Å; R45-K48 WeakPolarHBondContact O-CB 3.39Å; R45-K48 PolarHBondContact O-N 2.91Å; I46-K48 VanDerWaalsContact C-N 3.28Å; I46-K48 PolarHBondContact O-N 3.34Å; K48-K51 PolarHBondContact O-N 3.27Å; K48-L52 PolarHBondContact O-N 3.13Å |
| 49 | I | 95.8 | Very high | 90.7 | Very high | 90 Ų | 90 | 93.2 Ų | 93.2 | 46% | 0.462 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.4 | -44.3 | 177.1 | -66.2 | 165.7 | 0 | 0 | 0 | 110.3 | R45 I46 K51 L52 | R45-I49 HydrophobicContact CG-CD1 4.32Å; R45-I49 WeakPolarHBondContact O-CG1 3.43Å; R45-I49 PolarHBondContact O-N 2.98Å; I46-I49 PolarHBondContact O-N 3.05Å; I49-K51 PolarHBondContact O-N 3.06Å; I49-L52 HydrophobicContact CG2-CD1 4.39Å; I49-L52 VanDerWaalsContact O-CB 3.27Å; I49-L52 WeakPolarHBondContact O-CB 3.47Å; I49-L52 WeakPolarHBondContact O-CG 3.23Å; I49-L52 PolarHBondContact O-N 3.26Å |
| 50 | M | 95.2 | Very high | 91 | Very high | 34 Ų | 34 | 99.6 Ų | 99.6 | 17% | 0.167 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -58.3 | -31.7 | 176.1 | -64.8 | 175.2 | 73.2 | 0 | 0 | 113 | I46 L52 I56 I61 A65 P66 F69 | I46-M50 HydrophobicContact CG2-SD 4.23Å; I46-M50 WeakPolarHBondContact O-CG 3.49Å; I46-M50 PolarHBondContact O-N 3.19Å; M50-L52 VanDerWaalsContact C-N 3.34Å; M50-I56 WeakPolarHBondContact O-CB 3.37Å; M50-I56 WeakPolarHBondContact O-CG2 3.44Å; M50-I61 HydrophobicContact CB-CD1 3.72Å; M50-I61 HydrophobicContact CE-CD1 4.15Å; M50-I61 HydrophobicContact CE-CG1 4.44Å; M50-I61 HydrophobicContact CE-CG2 3.58Å; M50-I61 HydrophobicContact SD-CD1 4.32Å; M50-I61 HydrophobicContact SD-CG2 4.13Å; M50-A65 HydrophobicContact CE-CB 4.05Å; M50-P66 HydrophobicContact SD-CG 4.36Å; M50-F69 HydrophobicContact CE-CD2 3.94Å; M50-F69 HydrophobicContact CE-CE2 3.7Å; M50-F69 HydrophobicContact CG-CD2 4.49Å; M50-F69 HydrophobicContact SD-CD2 3.83Å; M50-F69 HydrophobicContact SD-CE2 4.15Å |
| 51 | K | 94.5 | Very high | 91 | Very high | 73 Ų | 73 | 94.8 Ų | 94.8 | 32% | 0.317 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 4.5 | 178 | -73.9 | -173.1 | 166.2 | -103.7 | 0 | 114.4 | K47 K48 I49 K57 M59 I61 | K47-K51 PolarHBondContact O-N 3.18Å; K48-K51 PolarHBondContact O-N 3.27Å; I49-K51 PolarHBondContact O-N 3.06Å; K51-K57 PolarHBondContact NZ-O 2.9Å; K51-M59 PolarHBondContact NZ-O 2.92Å; K51-I61 HydrophobicContact CD-CD1 4.42Å; K51-I61 HydrophobicContact CG-CD1 3.72Å |
| 52 | L | 93.2 | Very high | 91.1 | Very high | 133 Ų | 133 | 95.3 Ų | 95.3 | 70% | 0.696 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -26.3 | 169.9 | -66.1 | 175.5 | 0 | 0 | 0 | 111.4 | K48 I49 M50 | K48-L52 PolarHBondContact O-N 3.13Å; I49-L52 HydrophobicContact CG2-CD1 4.39Å; I49-L52 VanDerWaalsContact O-CB 3.27Å; I49-L52 WeakPolarHBondContact O-CB 3.47Å; I49-L52 WeakPolarHBondContact O-CG 3.23Å; I49-L52 PolarHBondContact O-N 3.26Å; M50-L52 VanDerWaalsContact C-N 3.34Å |
| 53 | D | 93 | Very high | 91 | Very high | 83 Ų | 83 | 95.1 Ų | 95.1 | 44% | 0.444 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -73.1 | 125 | 172.6 | -166.7 | -26.6 | 0 | 0 | 0 | 110 | D55 I56 K57 | D53-D55 PolarHBondContact O-N 3.38Å; D53-D55 PolarHBondContact OD1-N 3.25Å; D53-I56 HydrophobicContact CB-CB 4.24Å; D53-I56 HydrophobicContact CB-CD1 4Å; D53-I56 HydrophobicContact CB-CG1 4.1Å; D53-I56 PolarHBondContact O-N 3.28Å; D53-K57 WeakPolarHBondContact O-CB 3.31Å; D53-K57 PolarHBondContact O-N 3.34Å |
| 54 | D | 88.7 | Confident | 90.8 | Very high | 121 Ų | 121 | 98.7 Ų | 98.7 | 65% | 0.647 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.1 | -33.3 | -176.6 | -76.7 | -40.9 | 0 | 0 | 0 | 111.9 | K57 | D54-K57 WeakPolarHBondContact O-CB 3.32Å; D54-K57 PolarHBondContact O-N 2.93Å |
| 55 | D | 86.6 | Confident | 90.8 | Very high | 143 Ų | 143 | 96.6 Ų | 96.6 | 77% | 0.765 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -70.5 | -33.7 | 179.2 | -71.7 | -20.9 | 0 | 0 | 0 | 111.8 | D53 | D53-D55 PolarHBondContact O-N 3.38Å; D53-D55 PolarHBondContact OD1-N 3.25Å |
| 56 | I | 85.7 | Confident | 90.6 | Very high | 52 Ų | 52 | 89.7 Ų | 89.7 | 27% | 0.267 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -86.6 | -24.4 | -179.3 | -57.2 | 176.6 | 0 | 0 | 0 | 111.3 | M50 D53 C58 M59 I61 | M50-I56 WeakPolarHBondContact O-CB 3.37Å; M50-I56 WeakPolarHBondContact O-CG2 3.44Å; D53-I56 HydrophobicContact CB-CB 4.24Å; D53-I56 HydrophobicContact CB-CD1 4Å; D53-I56 HydrophobicContact CB-CG1 4.1Å; D53-I56 PolarHBondContact O-N 3.28Å; I56-C58 VanDerWaalsContact C-N 3.3Å; I56-C58 PolarHBondContact O-N 3.03Å; I56-M59 WeakPolarHBondContact O-CA 3.41Å; I56-M59 WeakPolarHBondContact O-CB 3.29Å; I56-M59 PolarHBondContact O-N 3.42Å; I56-I61 HydrophobicContact CG2-CD1 3.83Å; I56-I61 HydrophobicContact CG2-CG1 3.87Å |
| 57 | K | 80.8 | Confident | 90.4 | Very high | 119 Ų | 119 | 90.4 Ų | 90.4 | 52% | 0.517 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -52.9 | -46.8 | -174.5 | -173.2 | 173.2 | -176.8 | 172.6 | 0 | 112.8 | K51 D53 D54 | K51-K57 PolarHBondContact NZ-O 2.9Å; D53-K57 WeakPolarHBondContact O-CB 3.31Å; D53-K57 PolarHBondContact O-N 3.34Å; D54-K57 WeakPolarHBondContact O-CB 3.32Å; D54-K57 PolarHBondContact O-N 2.93Å |
| 58 | C | 83.1 | Confident | 90.3 | Very high | 128 Ų | 128 | 91.7 Ų | 91.7 | 87% | 0.865 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -17.7 | 177.9 | -68.3 | 0 | 0 | 0 | 0 | 113.2 | I56 | I56-C58 VanDerWaalsContact C-N 3.3Å; I56-C58 PolarHBondContact O-N 3.03Å |
| 59 | M | 86.9 | Confident | 90.3 | Very high | 126 Ų | 126 | 90.5 Ų | 90.5 | 62% | 0.621 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -78.5 | 149.2 | 178.8 | -162.5 | -178.5 | 166 | 0 | 0 | 111.6 | K51 I56 | K51-M59 PolarHBondContact NZ-O 2.92Å; I56-M59 WeakPolarHBondContact O-CA 3.41Å; I56-M59 WeakPolarHBondContact O-CB 3.29Å; I56-M59 PolarHBondContact O-N 3.42Å |
| 60 | M | 88.9 | Confident | 90.2 | Very high | 177 Ų | 177 | 86.2 Ų | 86.2 | 87% | 0.872 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -78.7 | 129.8 | 163.4 | -66.8 | -170.2 | 176.5 | 0 | 0 | 109.4 | ||
| 61 | I | 88.2 | Confident | 90.1 | Very high | 27 Ų | 27 | 86.5 Ų | 86.5 | 14% | 0.138 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -94.7 | 128 | 175.2 | -60.7 | 167.9 | 0 | 0 | 0 | 107.7 | K47 M50 K51 I56 A65 P66 | K47-I61 HydrophobicContact CG-CD1 4.23Å; M50-I61 HydrophobicContact CB-CD1 3.72Å; M50-I61 HydrophobicContact CE-CD1 4.15Å; M50-I61 HydrophobicContact CE-CG1 4.44Å; M50-I61 HydrophobicContact CE-CG2 3.58Å; M50-I61 HydrophobicContact SD-CD1 4.32Å; M50-I61 HydrophobicContact SD-CG2 4.13Å; K51-I61 HydrophobicContact CD-CD1 4.42Å; K51-I61 HydrophobicContact CG-CD1 3.72Å; I56-I61 HydrophobicContact CG2-CD1 3.83Å; I56-I61 HydrophobicContact CG2-CG1 3.87Å; I61-A65 HydrophobicContact CG2-CB 3.93Å; I61-P66 HydrophobicContact CG2-CG 4.29Å |
| 62 | S | 92.8 | Very high | 90 | Very high | 68 Ų | 68 | 85.4 Ų | 85.4 | 48% | 0.476 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 146.7 | 174 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | E64 A65 P66 | S62-E64 PolarHBondContact O-N 2.86Å; S62-E64 PolarHBondContact OG-N 3.24Å; S62-A65 PolarHBondContact O-N 3.22Å; S62-P66 WeakPolarHBondContact O-CD 3.2Å |
| 63 | A | 89.4 | Confident | 90.2 | Very high | 81 Ų | 81 | 80.6 Ų | 80.6 | 67% | 0.669 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -25 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I67 | A63-I67 WeakPolarHBondContact O-CD1 3.46Š|
| 64 | E | 90 | Very high | 90.2 | Very high | 135 Ų | 135 | 77.8 Ų | 77.8 | 63% | 0.631 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -77.4 | -30.7 | -178.7 | -61.6 | 173.1 | 150.7 | 0 | 0 | 112.8 | S62 I67 L68 | S62-E64 PolarHBondContact O-N 2.86Å; S62-E64 PolarHBondContact OG-N 3.24Å; E64-I67 WeakPolarHBondContact O-CB 3.39Å; E64-I67 PolarHBondContact O-N 3.43Å; E64-I67 VanDerWaalsContact O-N 3.14Å; E64-L68 PolarHBondContact O-N 3.13Å |
| 65 | A | 92.9 | Very high | 90.4 | Very high | 27 Ų | 27 | 72.8 Ų | 72.8 | 22% | 0.223 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.7 | -45.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | M50 I61 S62 I67 L68 F69 | M50-A65 HydrophobicContact CE-CB 4.05Å; I61-A65 HydrophobicContact CG2-CB 3.93Å; S62-A65 PolarHBondContact O-N 3.22Å; A65-I67 PolarHBondContact O-N 3.17Å; A65-L68 PolarHBondContact O-N 3.3Å; A65-F69 WeakPolarHBondContact O-CD2 3.44Å; A65-F69 PolarHBondContact O-N 3.15Å |
| 66 | P | 93 | Very high | 90.8 | Very high | 9 Ų | 9 | 69 Ų | 69 | 6% | 0.058 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.8 | -31.4 | 174.3 | -25 | 35.3 | 0 | 0 | 0 | 113.8 | L43 I46 K47 M50 I61 S62 A70 | L43-P66 HydrophobicContact CB-CB 4.42Å; L43-P66 HydrophobicContact CD2-CB 4.25Å; I46-P66 HydrophobicContact CG2-CB 4.35Å; K47-P66 HydrophobicContact CB-CG 4.42Å; M50-P66 HydrophobicContact SD-CG 4.36Å; I61-P66 HydrophobicContact CG2-CG 4.29Å; S62-P66 WeakPolarHBondContact O-CD 3.2Å; P66-A70 PolarHBondContact O-N 3Å |
| 67 | I | 91.3 | Very high | 91.3 | Very high | 37 Ų | 37 | 70.8 Ų | 70.8 | 19% | 0.19 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -69 | -46.7 | 178.8 | -61.5 | 169.4 | 0 | 0 | 0 | 109.5 | F36 L43 A63 E64 A65 F69 A70 K71 | F36-I67 HydrophobicContact CB-CD1 4.1Å; F36-I67 HydrophobicContact CB-CG2 3.78Å; F36-I67 HydrophobicContact CD1-CG2 3.26Å; F36-I67 HydrophobicContact CE1-CG2 4.04Å; F36-I67 HydrophobicContact CG-CG2 3.73Å; L43-I67 HydrophobicContact CD1-CG1 4.11Å; L43-I67 HydrophobicContact CD2-CG1 4.37Å; A63-I67 WeakPolarHBondContact O-CD1 3.46Å; E64-I67 WeakPolarHBondContact O-CB 3.39Å; E64-I67 PolarHBondContact O-N 3.43Å; E64-I67 VanDerWaalsContact O-N 3.14Å; A65-I67 PolarHBondContact O-N 3.17Å; I67-F69 VanDerWaalsContact C-N 3.34Å; I67-F69 PolarHBondContact O-N 3.15Å; I67-A70 WeakPolarHBondContact O-CB 3.28Å; I67-A70 PolarHBondContact O-N 3.44Å; I67-K71 PolarHBondContact O-N 3.12Å |
| 68 | L | 92.3 | Very high | 92 | Very high | 123 Ų | 123 | 69.5 Ų | 69.5 | 64% | 0.644 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -60.8 | -43.7 | 175.9 | -68 | 174.1 | 0 | 0 | 0 | 111.7 | E64 A65 A70 K71 A72 | E64-L68 PolarHBondContact O-N 3.13Å; A65-L68 PolarHBondContact O-N 3.3Å; L68-A70 VanDerWaalsContact C-N 3.31Å; L68-A70 PolarHBondContact O-N 3.33Å; L68-K71 PolarHBondContact O-N 3.13Å; L68-A72 VanDerWaalsContact O-CB 3.29Å; L68-A72 WeakPolarHBondContact O-CB 3.46Å; L68-A72 PolarHBondContact O-N 3.09Å |
| 69 | F | 95 | Very high | 92.5 | Very high | 114 Ų | 114 | 63.6 Ų | 63.6 | 50% | 0.5 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.8 | -33 | 176.2 | -85.9 | -64.3 | 0 | 0 | 0 | 113.1 | I46 M50 A65 I67 A73 | I46-F69 HydrophobicContact CG2-CB 3.65Å; I46-F69 HydrophobicContact CG2-CG 4.43Å; M50-F69 HydrophobicContact CE-CD2 3.94Å; M50-F69 HydrophobicContact CE-CE2 3.7Å; M50-F69 HydrophobicContact CG-CD2 4.49Å; M50-F69 HydrophobicContact SD-CD2 3.83Å; M50-F69 HydrophobicContact SD-CE2 4.15Å; A65-F69 WeakPolarHBondContact O-CD2 3.44Å; A65-F69 PolarHBondContact O-N 3.15Å; I67-F69 VanDerWaalsContact C-N 3.34Å; I67-F69 PolarHBondContact O-N 3.15Å; F69-A73 WeakPolarHBondContact O-CB 3.16Å; F69-A73 PolarHBondContact O-N 3.31Å |
| 70 | A | 93.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.008 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.2 | -49.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q39 L43 I46 P66 I67 L68 A73 E74 | Q39-A70 HydrophobicContact CB-CB 3.98Å; Q39-A70 HydrophobicContact CG-CB 3.99Å; L43-A70 HydrophobicContact CD2-CB 4.05Å; I46-A70 HydrophobicContact CD1-CB 3.58Å; P66-A70 PolarHBondContact O-N 3Å; I67-A70 WeakPolarHBondContact O-CB 3.28Å; I67-A70 PolarHBondContact O-N 3.44Å; L68-A70 VanDerWaalsContact C-N 3.31Å; L68-A70 PolarHBondContact O-N 3.33Å; A70-A73 PolarHBondContact O-N 2.84Å; A70-E74 WeakPolarHBondContact O-CB 3.44Å; A70-E74 PolarHBondContact O-N 3.44Å |
| 71 | K | 91.6 | Very high | 93.1 | Very high | 39 Ų | 39 | 53.4 Ų | 53.4 | 17% | 0.17 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.8 | -42.1 | 177.6 | -170.6 | 59.4 | 174.1 | -176.7 | 0 | 112.3 | E25 I67 L68 A73 E74 L75 | E25-K71 IonicContact OE1-NZ 2.85Å; E25-K71 PolarHBondContact OE1-NZ 3.32Å; I67-K71 PolarHBondContact O-N 3.12Å; L68-K71 PolarHBondContact O-N 3.13Å; K71-A73 VanDerWaalsContact C-N 3.34Å; K71-A73 PolarHBondContact O-N 3.24Å; K71-E74 WeakPolarHBondContact CD-OE2 3.41Å; K71-E74 IonicContact NZ-OE1 2.81Å; K71-E74 PolarHBondContact NZ-OE1 3.48Å; K71-E74 IonicContact NZ-OE2 3.57Å; K71-E74 WeakPolarHBondContact O-CB 3.37Å; K71-E74 PolarHBondContact O-N 3.13Å; K71-L75 HydrophobicContact CG-CD1 4.39Å; K71-L75 WeakPolarHBondContact O-CG 3.45Å; K71-L75 PolarHBondContact O-N 3.44Å |
| 72 | A | 94 | Very high | 93.4 | Very high | 50 Ų | 50 | 54.3 Ų | 54.3 | 41% | 0.413 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L68 L75 F76 | L68-A72 VanDerWaalsContact O-CB 3.29Å; L68-A72 WeakPolarHBondContact O-CB 3.46Å; L68-A72 PolarHBondContact O-N 3.09Å; A72-L75 PolarHBondContact O-N 3.02Å; A72-F76 WeakPolarHBondContact O-CB 3.25Å; A72-F76 PolarHBondContact O-N 3.25Å |
| 73 | A | 96.3 | Very high | 93.3 | Very high | 32 Ų | 32 | 52.4 Ų | 52.4 | 26% | 0.264 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.6 | -38.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L41 F69 A70 K71 F76 I77 | L41-A73 HydrophobicContact CD1-CB 3.52Å; F69-A73 WeakPolarHBondContact O-CB 3.16Å; F69-A73 PolarHBondContact O-N 3.31Å; A70-A73 PolarHBondContact O-N 2.84Å; K71-A73 VanDerWaalsContact C-N 3.34Å; K71-A73 PolarHBondContact O-N 3.24Å; A73-F76 PolarHBondContact O-N 3.17Å; A73-I77 WeakPolarHBondContact O-CB 3.21Å; A73-I77 WeakPolarHBondContact O-CD1 3.5Å; A73-I77 VanDerWaalsContact O-CG1 3.23Å; A73-I77 WeakPolarHBondContact O-CG1 3.35Å; A73-I77 PolarHBondContact O-N 3.2Å |
| 74 | E | 93.4 | Very high | 93.5 | Very high | 25 Ų | 25 | 48.6 Ų | 48.6 | 12% | 0.117 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.1 | -50 | 172 | 178.6 | -165.4 | 142.8 | 0 | 0 | 111.2 | A70 K71 I77 R78 | A70-E74 WeakPolarHBondContact O-CB 3.44Å; A70-E74 PolarHBondContact O-N 3.44Å; K71-E74 WeakPolarHBondContact CD-OE2 3.41Å; K71-E74 IonicContact NZ-OE1 2.81Å; K71-E74 PolarHBondContact NZ-OE1 3.48Å; K71-E74 IonicContact NZ-OE2 3.57Å; K71-E74 WeakPolarHBondContact O-CB 3.37Å; K71-E74 PolarHBondContact O-N 3.13Å; E74-I77 PolarHBondContact O-N 2.76Å; E74-R78 VanDerWaalsContact CD-NH2 3.26Å; E74-R78 WeakPolarHBondContact O-CG 3.49Å; E74-R78 PolarHBondContact O-N 3.01Å; E74-R78 VanDerWaalsContact O-N 3.13Å; E74-R78 IonicContact OE1-CZ 3.49Å; E74-R78 IonicContact OE1-NH1 2.64Å; E74-R78 PolarHBondContact OE1-NH1 3.37Å; E74-R78 IonicContact OE1-NH2 3.01Å; E74-R78 PolarHBondContact OE1-NH2 3.12Å |
| 75 | L | 93.5 | Very high | 93.7 | Very high | 15 Ų | 15 | 47.2 Ų | 47.2 | 8% | 0.079 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.1 | -43.3 | 178.4 | -65 | 178.7 | 0 | 0 | 0 | 112 | I22 I26 K71 A72 I77 R78 E79 | I22-L75 HydrophobicContact CB-CD2 4.44Å; I22-L75 HydrophobicContact CD1-CD2 3.49Å; I22-L75 VanDerWaalsContact CD1-CD2 3.49Å; I22-L75 HydrophobicContact CG1-CD2 3.86Å; I22-L75 HydrophobicContact CG2-CD1 3.83Å; I22-L75 HydrophobicContact CG2-CD2 3.67Å; I22-L75 HydrophobicContact CG2-CG 4.4Å; I26-L75 HydrophobicContact CD1-CD1 4.25Å; K71-L75 HydrophobicContact CG-CD1 4.39Å; K71-L75 WeakPolarHBondContact O-CG 3.45Å; K71-L75 PolarHBondContact O-N 3.44Å; A72-L75 PolarHBondContact O-N 3.02Å; L75-I77 PolarHBondContact O-N 3.34Å; L75-R78 PolarHBondContact O-N 3.06Å; L75-E79 WeakPolarHBondContact O-CB 3.23Å; L75-E79 PolarHBondContact O-N 3.47Å |
| 76 | F | 95.2 | Very high | 93.7 | Very high | 64 Ų | 64 | 47.4 Ų | 47.4 | 28% | 0.281 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.8 | -46.2 | 177.8 | 172.2 | -101.8 | 0 | 0 | 0 | 112.2 | A72 A73 R78 E79 L80 F113 F115 L116 | A72-F76 WeakPolarHBondContact O-CB 3.25Å; A72-F76 PolarHBondContact O-N 3.25Å; A73-F76 PolarHBondContact O-N 3.17Å; F76-R78 VanDerWaalsContact C-N 3.33Å; F76-R78 PolarHBondContact O-N 2.99Å; F76-E79 PolarHBondContact O-N 2.9Å; F76-L80 HydrophobicContact CE1-CD2 4.14Å; F76-L80 HydrophobicContact CZ-CD2 3.98Å; F76-L80 VanDerWaalsContact O-CB 3.25Å; F76-L80 WeakPolarHBondContact O-CB 3.31Å; F76-L80 PolarHBondContact O-N 3.35Å; F76-F113 HydrophobicContact CD2-CE1 4.27Å; F76-F113 AromaticContact CE2-CD1 3.92Å; F76-F113 HydrophobicContact CE2-CD1 3.92Å; F76-F113 AromaticContact CE2-CE1 3.66Å; F76-F113 HydrophobicContact CE2-CE1 3.66Å; F76-F115 HydrophobicContact CE2-CE1 4.1Å; F76-F115 AromaticContact CE2-CZ 3.56Å; F76-F115 HydrophobicContact CE2-CZ 3.56Å; F76-F115 HydrophobicContact CZ-CE2 4.43Å; F76-F115 AromaticContact CZ-CZ 3.64Å; F76-F115 HydrophobicContact CZ-CZ 3.64Å; F76-L116 HydrophobicContact CZ-CD1 4.12Å |
| 77 | I | 95.9 | Very high | 93.6 | Very high | 89 Ų | 89 | 47.9 Ų | 47.9 | 46% | 0.456 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.6 | -42.7 | 177.6 | -69.3 | 165.4 | 0 | 0 | 0 | 110.3 | A73 E74 L75 T81 | A73-I77 WeakPolarHBondContact O-CB 3.21Å; A73-I77 WeakPolarHBondContact O-CD1 3.5Å; A73-I77 VanDerWaalsContact O-CG1 3.23Å; A73-I77 WeakPolarHBondContact O-CG1 3.35Å; A73-I77 PolarHBondContact O-N 3.2Å; E74-I77 PolarHBondContact O-N 2.76Å; L75-I77 PolarHBondContact O-N 3.34Å; I77-T81 WeakPolarHBondContact O-CB 3.46Å; I77-T81 PolarHBondContact O-N 3.2Å; I77-T81 PolarHBondContact O-OG1 2.91Å |
| 78 | R | 94.4 | Very high | 93.8 | Very high | 93 Ų | 93 | 46.1 Ų | 46.1 | 35% | 0.351 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.6 | -50.4 | 178.2 | -73.6 | 179.5 | -172.1 | 153.1 | 10 | 112.1 | F18 E74 L75 F76 T81 L82 | F18-R78 HydrophobicContact CE2-CB 4.04Å; F18-R78 HydrophobicContact CZ-CB 3.87Å; E74-R78 VanDerWaalsContact CD-NH2 3.26Å; E74-R78 WeakPolarHBondContact O-CG 3.49Å; E74-R78 PolarHBondContact O-N 3.01Å; E74-R78 VanDerWaalsContact O-N 3.13Å; E74-R78 IonicContact OE1-CZ 3.49Å; E74-R78 IonicContact OE1-NH1 2.64Å; E74-R78 PolarHBondContact OE1-NH1 3.37Å; E74-R78 IonicContact OE1-NH2 3.01Å; E74-R78 PolarHBondContact OE1-NH2 3.12Å; L75-R78 PolarHBondContact O-N 3.06Å; F76-R78 VanDerWaalsContact C-N 3.33Å; F76-R78 PolarHBondContact O-N 2.99Å; R78-T81 PolarHBondContact O-N 2.96Å; R78-L82 WeakPolarHBondContact O-CB 3.3Å; R78-L82 PolarHBondContact O-N 3.33Å |
| 79 | E | 93.2 | Very high | 93.9 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 1% | 0.014 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.1 | -50.9 | 178.4 | 171.9 | 170.5 | -143.5 | 0 | 0 | 111.2 | M15 F18 W19 L75 F76 T81 L82 R83 Q112 F113 | M15-E79 HydrophobicContact CE-CG 4Å; M15-E79 HydrophobicContact SD-CG 3.64Å; M15-E79 VanDerWaalsContact SD-OE1 3.33Å; F18-E79 HydrophobicContact CE1-CB 4.01Å; W19-E79 VanDerWaalsContact CZ2-OE2 3.31Å; W19-E79 WeakPolarHBondContact CZ2-OE2 3.39Å; W19-E79 PolarHBondContact NE1-OE1 3.5Å; W19-E79 VanDerWaalsContact NE1-OE1 3.08Å; L75-E79 WeakPolarHBondContact O-CB 3.23Å; L75-E79 PolarHBondContact O-N 3.47Å; F76-E79 PolarHBondContact O-N 2.9Å; E79-T81 VanDerWaalsContact C-N 3.29Å; E79-T81 PolarHBondContact O-N 2.88Å; E79-L82 PolarHBondContact O-N 3.44Å; E79-R83 WeakPolarHBondContact O-CG 3.17Å; E79-R83 PolarHBondContact O-N 3.16Å; E79-R83 IonicContact OE1-CZ 2.75Å; E79-R83 IonicContact OE1-NE 2.74Å; E79-R83 PolarHBondContact OE1-NE 3.28Å; E79-R83 IonicContact OE1-NH2 3.53Å; E79-R83 PolarHBondContact OE1-NH2 3.08Å; E79-Q112 PolarHBondContact OE2-NE2 3.43Å; E79-Q112 VanDerWaalsContact OE2-NE2 3.15Å; E79-F113 HydrophobicContact CG-CZ 4.29Å |
| 80 | L | 93.9 | Very high | 93.7 | Very high | 24 Ų | 24 | 49 Ų | 49 | 13% | 0.126 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.6 | -40.9 | -178.7 | -179.4 | 60.8 | 0 | 0 | 0 | 111.4 | F76 R83 A84 I101 V105 F113 | F76-L80 HydrophobicContact CE1-CD2 4.14Å; F76-L80 HydrophobicContact CZ-CD2 3.98Å; F76-L80 VanDerWaalsContact O-CB 3.25Å; F76-L80 WeakPolarHBondContact O-CB 3.31Å; F76-L80 PolarHBondContact O-N 3.35Å; L80-R83 PolarHBondContact O-N 3.37Å; L80-A84 WeakPolarHBondContact O-CB 3.01Å; L80-A84 PolarHBondContact O-N 2.98Å; L80-I101 HydrophobicContact CD1-CG2 4.42Å; L80-I101 HydrophobicContact CD2-CG2 4.34Å; L80-V105 HydrophobicContact CD1-CG2 3.78Å; L80-F113 HydrophobicContact CD1-CD1 4.39Å; L80-F113 HydrophobicContact CD1-CE1 4.2Å |
| 81 | T | 94.9 | Very high | 93.7 | Very high | 66 Ų | 66 | 52.4 Ų | 52.4 | 41% | 0.405 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.2 | -39.2 | 177.7 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | I77 R78 E79 A84 W85 L96 | I77-T81 WeakPolarHBondContact O-CB 3.46Å; I77-T81 PolarHBondContact O-N 3.2Å; I77-T81 PolarHBondContact O-OG1 2.91Å; R78-T81 PolarHBondContact O-N 2.96Å; E79-T81 VanDerWaalsContact C-N 3.29Å; E79-T81 PolarHBondContact O-N 2.88Å; T81-A84 PolarHBondContact O-N 3.32Å; T81-W85 VanDerWaalsContact O-CB 3.28Å; T81-W85 WeakPolarHBondContact O-CB 3.42Å; T81-W85 PolarHBondContact O-N 3.18Å; T81-L96 HydrophobicContact CG2-CD1 4.06Å |
| 82 | L | 93.6 | Very high | 93.8 | Very high | 46 Ų | 46 | 61.9 Ų | 61.9 | 24% | 0.241 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63 | -44.5 | 176.7 | -173.3 | 64.8 | 0 | 0 | 0 | 111.4 | M15 F18 R78 E79 W85 I86 | M15-L82 HydrophobicContact CE-CB 4.49Å; M15-L82 HydrophobicContact CE-CD2 4.05Å; M15-L82 HydrophobicContact CE-CG 4.44Å; F18-L82 HydrophobicContact CB-CD2 4.12Å; F18-L82 HydrophobicContact CG-CD2 4.37Å; R78-L82 WeakPolarHBondContact O-CB 3.3Å; R78-L82 PolarHBondContact O-N 3.33Å; E79-L82 PolarHBondContact O-N 3.44Å; L82-W85 WeakPolarHBondContact O-CB 3.36Å; L82-W85 PolarHBondContact O-N 3.21Å; L82-I86 PolarHBondContact O-N 3.08Å |
| 83 | R | 92.3 | Very high | 93.9 | Very high | 28 Ų | 28 | 62.1 Ų | 62.1 | 11% | 0.106 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 175.2 | -64.9 | -177.8 | -174.9 | -137.5 | 11.9 | 111.8 | M15 E79 L80 W85 I86 A104 T110 | M15-R83 HydrophobicContact CE-CG 3.33Å; E79-R83 WeakPolarHBondContact O-CG 3.17Å; E79-R83 PolarHBondContact O-N 3.16Å; E79-R83 IonicContact OE1-CZ 2.75Å; E79-R83 IonicContact OE1-NE 2.74Å; E79-R83 PolarHBondContact OE1-NE 3.28Å; E79-R83 IonicContact OE1-NH2 3.53Å; E79-R83 PolarHBondContact OE1-NH2 3.08Å; L80-R83 PolarHBondContact O-N 3.37Å; R83-W85 VanDerWaalsContact C-N 3.29Å; R83-W85 PolarHBondContact O-N 2.89Å; R83-I86 PolarHBondContact O-N 3.31Å; R83-A104 HydrophobicContact CB-CB 3.84Å; R83-T110 PolarHBondContact NH1-OG1 2.95Å; R83-T110 VanDerWaalsContact NH1-OG1 3.09Å |
| 84 | A | 93.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.1 | -30.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | L80 T81 I86 H87 T88 L96 D100 I101 A104 | L80-A84 WeakPolarHBondContact O-CB 3.01Å; L80-A84 PolarHBondContact O-N 2.98Å; T81-A84 PolarHBondContact O-N 3.32Å; A84-I86 VanDerWaalsContact C-N 3.3Å; A84-I86 PolarHBondContact O-N 3.01Å; A84-H87 PolarHBondContact O-N 3.48Å; A84-T88 PolarHBondContact O-N 3.25Å; A84-T88 PolarHBondContact O-OG1 2.93Å; A84-L96 HydrophobicContact CB-CD1 3.89Å; A84-D100 HydrophobicContact CB-CB 4.35Å; A84-D100 WeakPolarHBondContact O-CB 3.41Å; A84-I101 HydrophobicContact CB-CG1 4.05Å; A84-A104 HydrophobicContact CB-CB 4.1Å |
| 85 | W | 94.6 | Very high | 94 | Very high | 107 Ų | 107 | 75 Ų | 75 | 41% | 0.405 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.3 | -35.4 | 179.9 | -171.3 | -102.5 | 0 | 0 | 0 | 112.5 | T81 L82 R83 H87 T88 E89 L96 | T81-W85 VanDerWaalsContact O-CB 3.28Å; T81-W85 WeakPolarHBondContact O-CB 3.42Å; T81-W85 PolarHBondContact O-N 3.18Å; L82-W85 WeakPolarHBondContact O-CB 3.36Å; L82-W85 PolarHBondContact O-N 3.21Å; R83-W85 VanDerWaalsContact C-N 3.29Å; R83-W85 PolarHBondContact O-N 2.89Å; W85-H87 VanDerWaalsContact C-N 3.28Å; W85-H87 PolarHBondContact O-N 2.91Å; W85-T88 HydrophobicContact CE3-CG2 4.28Å; W85-T88 HydrophobicContact CZ3-CG2 4.13Å; W85-T88 WeakPolarHBondContact O-CA 3.49Å; W85-T88 WeakPolarHBondContact O-CB 3.45Å; W85-T88 PolarHBondContact O-N 3.49Å; W85-E89 PolarHBondContact O-N 2.75Å; W85-L96 HydrophobicContact CE3-CB 4.27Å; W85-L96 HydrophobicContact CE3-CD1 4.12Å; W85-L96 HydrophobicContact CZ3-CB 4.25Å |
| 86 | I | 92.4 | Very high | 94.2 | Very high | 31 Ų | 31 | 77.1 Ų | 77.1 | 16% | 0.159 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.8 | -40.2 | 178.1 | -67.3 | 158.4 | 0 | 0 | 0 | 111.2 | C11 L82 R83 A84 T88 E89 R90 | C11-I86 HydrophobicContact CB-CD1 3.53Å; C11-I86 WeakPolarHBondContact SG-CD1 3.39Å; L82-I86 PolarHBondContact O-N 3.08Å; R83-I86 PolarHBondContact O-N 3.31Å; A84-I86 VanDerWaalsContact C-N 3.3Å; A84-I86 PolarHBondContact O-N 3.01Å; I86-T88 VanDerWaalsContact C-N 3.33Å; I86-T88 PolarHBondContact O-N 3.32Å; I86-E89 PolarHBondContact O-N 2.74Å; I86-R90 WeakPolarHBondContact O-CB 3.44Å; I86-R90 PolarHBondContact O-N 3.49Å |
| 87 | H | 91.8 | Very high | 94.2 | Very high | 19 Ų | 19 | 78.1 Ų | 78.1 | 9% | 0.088 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.4 | -34.8 | 174.4 | -69.6 | -70.2 | 0 | 0 | 0 | 113.2 | A84 W85 N91 D100 M103 D107 | A84-H87 PolarHBondContact O-N 3.48Å; W85-H87 VanDerWaalsContact C-N 3.28Å; W85-H87 PolarHBondContact O-N 2.91Å; H87-N91 WeakPolarHBondContact O-CB 3.47Å; H87-N91 PolarHBondContact O-N 2.84Å; H87-N91 VanDerWaalsContact O-N 3.13Å; H87-N91 PolarHBondContact O-OD1 3.28Å; H87-D100 HydrophobicContact CB-CB 4.11Å; H87-M103 HydrophobicContact CB-CE 3.57Å; H87-D107 IonicContact CD2-OD2 3.82Å; H87-D107 IonicContact CE1-OD1 3.54Å; H87-D107 IonicContact CE1-OD2 3.35Å; H87-D107 PolarHBondContact CE1-OD2 3.3Å; H87-D107 IonicContact NE2-OD1 3.57Å; H87-D107 IonicContact NE2-OD2 2.66Å; H87-D107 PolarHBondContact NE2-OD2 3.12Å |
| 88 | T | 94.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 174.8 | -55.9 | 0 | 0 | 0 | 0 | 110.3 | A84 W85 I86 N91 R92 R93 T95 D100 | A84-T88 PolarHBondContact O-N 3.25Å; A84-T88 PolarHBondContact O-OG1 2.93Å; W85-T88 HydrophobicContact CE3-CG2 4.28Å; W85-T88 HydrophobicContact CZ3-CG2 4.13Å; W85-T88 WeakPolarHBondContact O-CA 3.49Å; W85-T88 WeakPolarHBondContact O-CB 3.45Å; W85-T88 PolarHBondContact O-N 3.49Å; I86-T88 VanDerWaalsContact C-N 3.33Å; I86-T88 PolarHBondContact O-N 3.32Å; T88-N91 PolarHBondContact O-N 2.93Å; T88-R92 PolarHBondContact O-N 3.4Å; T88-R93 HydrophobicContact CG2-CB 3.98Å; T88-R93 WeakPolarHBondContact CG2-O 3.38Å; T88-R93 PolarHBondContact O-N 2.64Å; T88-T95 WeakPolarHBondContact CG2-O 3.48Å; T88-D100 PolarHBondContact OG1-OD2 2.93Å; T88-D100 VanDerWaalsContact OG1-OD2 3.1Å |
| 89 | E | 93.7 | Very high | 94.1 | Very high | 127 Ų | 127 | 80 Ų | 80 | 59% | 0.593 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -68.2 | -42.5 | 179.2 | -173 | 167.1 | -163.3 | 0 | 0 | 112.2 | W85 I86 N91 R92 | W85-E89 PolarHBondContact O-N 2.75Å; I86-E89 PolarHBondContact O-N 2.74Å; E89-N91 PolarHBondContact O-N 3.16Å; E89-R92 WeakPolarHBondContact O-CA 3.44Å; E89-R92 PolarHBondContact O-N 2.85Å |
| 90 | R | 90.9 | Very high | 94.1 | Very high | 170 Ų | 170 | 79.9 Ų | 79.9 | 64% | 0.642 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -57.2 | -35.7 | 174.7 | -165.5 | -175.3 | 78.7 | 93.5 | -1.5 | 112 | I86 R92 | I86-R90 WeakPolarHBondContact O-CB 3.44Å; I86-R90 PolarHBondContact O-N 3.49Å; R90-R92 VanDerWaalsContact C-N 3.25Å; R90-R92 PolarHBondContact O-N 2.81Å |
| 91 | N | 93.4 | Very high | 94.1 | Very high | 72 Ų | 72 | 81.2 Ų | 81.2 | 39% | 0.385 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 7.3 | 177.1 | -71.4 | 33.8 | 0 | 0 | 0 | 113.5 | H87 T88 E89 R93 | H87-N91 WeakPolarHBondContact O-CB 3.47Å; H87-N91 PolarHBondContact O-N 2.84Å; H87-N91 VanDerWaalsContact O-N 3.13Å; H87-N91 PolarHBondContact O-OD1 3.28Å; T88-N91 PolarHBondContact O-N 2.93Å; E89-N91 PolarHBondContact O-N 3.16Å; N91-R93 HydrophobicContact CB-CG 4.48Å; N91-R93 VanDerWaalsContact CB-NH2 3.35Å; N91-R93 PolarHBondContact ND2-NH2 2.93Å; N91-R93 VanDerWaalsContact ND2-NH2 3.16Å; N91-R93 PolarHBondContact O-N 3.24Å |
| 92 | R | 94.3 | Very high | 94.1 | Very high | 238 Ų | 238 | 78.6 Ų | 78.6 | 90% | 0.898 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 32.9 | -177.3 | -56.1 | -176.2 | 178.7 | -176.3 | -1.1 | 113.2 | T88 E89 R90 | T88-R92 PolarHBondContact O-N 3.4Å; E89-R92 WeakPolarHBondContact O-CA 3.44Å; E89-R92 PolarHBondContact O-N 2.85Å; R90-R92 VanDerWaalsContact C-N 3.25Å; R90-R92 PolarHBondContact O-N 2.81Å |
| 93 | R | 96 | Very high | 94 | Very high | 56 Ų | 56 | 79.1 Ų | 79.1 | 21% | 0.211 | 35% | 0.347 | C | S | . | . | trans | -102.1 | 157.1 | 175.6 | -72.5 | -178.1 | -75 | 101.3 | -3.2 | 109.7 | T88 N91 T95 D100 | T88-R93 HydrophobicContact CG2-CB 3.98Å; T88-R93 WeakPolarHBondContact CG2-O 3.38Å; T88-R93 PolarHBondContact O-N 2.64Å; N91-R93 HydrophobicContact CB-CG 4.48Å; N91-R93 VanDerWaalsContact CB-NH2 3.35Å; N91-R93 PolarHBondContact ND2-NH2 2.93Å; N91-R93 VanDerWaalsContact ND2-NH2 3.16Å; N91-R93 PolarHBondContact O-N 3.24Å; R93-T95 PolarHBondContact NH1-O 2.93Å; R93-T95 VanDerWaalsContact NH1-O 3.17Å; R93-D100 IonicContact CZ-OD1 3.53Å; R93-D100 IonicContact CZ-OD2 3.55Å; R93-D100 IonicContact NH1-OD1 3.47Å; R93-D100 PolarHBondContact NH1-OD1 3.13Å; R93-D100 IonicContact NH1-OD2 2.73Å; R93-D100 PolarHBondContact NH1-OD2 2.73Å; R93-D100 IonicContact NH2-OD1 2.66Å; R93-D100 PolarHBondContact NH2-OD1 3.5Å; R93-D100 IonicContact NH2-OD2 3.45Å; R93-D100 PolarHBondContact NH2-OD2 3.23Å | ||
| 94 | R | 95.4 | Very high | 93.9 | Very high | 229 Ų | 229 | 77.9 Ų | 77.9 | 86% | 0.864 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -114.4 | 7 | 172.5 | -59.5 | -175.9 | 69.8 | -154.6 | 1 | 112.4 | ||
| 95 | T | 97.2 | Very high | 93.8 | Very high | 98 Ų | 98 | 78.1 Ų | 78.1 | 60% | 0.601 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -122.5 | 116.7 | -179.4 | -54.3 | 0 | 0 | 0 | 0 | 107.3 | T88 R93 | T88-T95 WeakPolarHBondContact CG2-O 3.48Å; R93-T95 PolarHBondContact NH1-O 2.93Å; R93-T95 VanDerWaalsContact NH1-O 3.17Å |
| 96 | L | 96.9 | Very high | 93.6 | Very high | 59 Ų | 59 | 75.6 Ų | 75.6 | 31% | 0.309 | 34% | 0.342 | S | S | . | . | trans | -70.4 | 131.2 | 175.2 | -175.4 | 142 | 0 | 0 | 0 | 109.4 | T81 A84 W85 I101 | T81-L96 HydrophobicContact CG2-CD1 4.06Å; A84-L96 HydrophobicContact CB-CD1 3.89Å; W85-L96 HydrophobicContact CE3-CB 4.27Å; W85-L96 HydrophobicContact CE3-CD1 4.12Å; W85-L96 HydrophobicContact CZ3-CB 4.25Å; L96-I101 HydrophobicContact CD2-CD1 4.07Å; L96-I101 HydrophobicContact CD2-CG1 4.08Å | ||
| 97 | Q | 95.6 | Very high | 93.1 | Very high | 85 Ų | 85 | 76.9 Ų | 76.9 | 40% | 0.397 | 35% | 0.349 | S | S | . | . | trans | -117.2 | 159.8 | -176.4 | -61.8 | -176.7 | -21 | 0 | 0 | 110.8 | N99 D100 I101 | Q97-N99 PolarHBondContact O-N 2.65Å; Q97-N99 VanDerWaalsContact O-N 3.16Å; Q97-D100 WeakPolarHBondContact CB-OD2 3.25Å; Q97-D100 PolarHBondContact N-OD2 3.23Å; Q97-D100 WeakPolarHBondContact O-CB 3.35Å; Q97-D100 PolarHBondContact O-N 2.93Å; Q97-I101 PolarHBondContact O-N 3.06Å | ||
| 98 | R | 94.5 | Very high | 91.9 | Very high | 132 Ų | 132 | 79.9 Ų | 79.9 | 50% | 0.498 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -51.9 | -37.5 | 172.8 | 174.5 | -178.1 | 167.2 | -73.7 | -18.1 | 112.6 | D100 I101 A102 P121 | R98-D100 VanDerWaalsContact C-N 3.28Å; R98-D100 PolarHBondContact O-N 3.47Å; R98-I101 PolarHBondContact O-N 3.17Å; R98-A102 PolarHBondContact O-N 2.81Å; R98-A102 VanDerWaalsContact O-N 3.08Å; R98-P121 PolarHBondContact NH2-O 2.66Å |
| 99 | N | 93.4 | Very high | 90.8 | Very high | 91 Ų | 91 | 83.9 Ų | 83.9 | 49% | 0.487 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.9 | -30.6 | 179.2 | -66 | -26.1 | 0 | 0 | 0 | 112.5 | Q97 I101 A102 M103 | Q97-N99 PolarHBondContact O-N 2.65Å; Q97-N99 VanDerWaalsContact O-N 3.16Å; N99-I101 VanDerWaalsContact C-N 3.35Å; N99-A102 PolarHBondContact O-N 2.76Å; N99-M103 WeakPolarHBondContact O-CG 3.48Å; N99-M103 PolarHBondContact O-N 2.91Å |
| 100 | D | 94 | Very high | 89.6 | Confident | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -68 | -38.5 | 177.1 | -57.9 | -46.6 | 0 | 0 | 0 | 111.4 | A84 H87 T88 R93 Q97 R98 M103 A104 | A84-D100 HydrophobicContact CB-CB 4.35Å; A84-D100 WeakPolarHBondContact O-CB 3.41Å; H87-D100 HydrophobicContact CB-CB 4.11Å; T88-D100 PolarHBondContact OG1-OD2 2.93Å; T88-D100 VanDerWaalsContact OG1-OD2 3.1Å; R93-D100 IonicContact CZ-OD1 3.53Å; R93-D100 IonicContact CZ-OD2 3.55Å; R93-D100 IonicContact NH1-OD1 3.47Å; R93-D100 PolarHBondContact NH1-OD1 3.13Å; R93-D100 IonicContact NH1-OD2 2.73Å; R93-D100 PolarHBondContact NH1-OD2 2.73Å; R93-D100 IonicContact NH2-OD1 2.66Å; R93-D100 PolarHBondContact NH2-OD1 3.5Å; R93-D100 IonicContact NH2-OD2 3.45Å; R93-D100 PolarHBondContact NH2-OD2 3.23Å; Q97-D100 WeakPolarHBondContact CB-OD2 3.25Å; Q97-D100 PolarHBondContact N-OD2 3.23Å; Q97-D100 WeakPolarHBondContact O-CB 3.35Å; Q97-D100 PolarHBondContact O-N 2.93Å; R98-D100 VanDerWaalsContact C-N 3.28Å; R98-D100 PolarHBondContact O-N 3.47Å; D100-M103 PolarHBondContact O-N 3.07Å; D100-M103 WeakPolarHBondContact OD1-CE 3.49Å; D100-A104 WeakPolarHBondContact O-CB 3.43Å; D100-A104 PolarHBondContact O-N 2.83Å |
| 101 | I | 94.3 | Very high | 89.4 | Confident | 51 Ų | 51 | 79 Ų | 79 | 26% | 0.262 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.9 | -44.3 | 173.1 | -56.4 | 173.1 | 0 | 0 | 0 | 110.1 | L80 A84 L96 Q97 R98 N99 M103 A104 V105 | L80-I101 HydrophobicContact CD1-CG2 4.42Å; L80-I101 HydrophobicContact CD2-CG2 4.34Å; A84-I101 HydrophobicContact CB-CG1 4.05Å; L96-I101 HydrophobicContact CD2-CD1 4.07Å; L96-I101 HydrophobicContact CD2-CG1 4.08Å; Q97-I101 PolarHBondContact O-N 3.06Å; R98-I101 PolarHBondContact O-N 3.17Å; N99-I101 VanDerWaalsContact C-N 3.35Å; I101-M103 VanDerWaalsContact C-N 3.3Å; I101-M103 PolarHBondContact O-N 2.99Å; I101-A104 PolarHBondContact O-N 2.97Å; I101-V105 HydrophobicContact CG2-CG2 4.22Å; I101-V105 WeakPolarHBondContact O-CB 3.37Å; I101-V105 VanDerWaalsContact O-CG2 3.3Å; I101-V105 WeakPolarHBondContact O-CG2 3.46Å; I101-V105 PolarHBondContact O-N 3.4Å |
| 102 | A | 93.7 | Very high | 89.3 | Confident | 11 Ų | 11 | 79.9 Ų | 79.9 | 9% | 0.091 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.2 | -38.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R98 N99 S106 V120 | R98-A102 PolarHBondContact O-N 2.81Å; R98-A102 VanDerWaalsContact O-N 3.08Å; N99-A102 PolarHBondContact O-N 2.76Å; A102-S106 VanDerWaalsContact O-CB 3.31Å; A102-S106 WeakPolarHBondContact O-CB 3.28Å; A102-S106 PolarHBondContact O-N 3.42Å; A102-S106 VanDerWaalsContact O-N 3.16Å; A102-S106 PolarHBondContact O-OG 3.47Å; A102-V120 HydrophobicContact CB-CG1 3.79Å |
| 103 | M | 91.3 | Very high | 89.1 | Confident | 58 Ų | 58 | 68.7 Ų | 68.7 | 29% | 0.286 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.8 | -49.1 | 173.1 | -68.8 | -175.4 | -66.4 | 0 | 0 | 111.2 | H87 N99 D100 I101 V105 S106 D107 | H87-M103 HydrophobicContact CB-CE 3.57Å; N99-M103 WeakPolarHBondContact O-CG 3.48Å; N99-M103 PolarHBondContact O-N 2.91Å; D100-M103 PolarHBondContact O-N 3.07Å; D100-M103 WeakPolarHBondContact OD1-CE 3.49Å; I101-M103 VanDerWaalsContact C-N 3.3Å; I101-M103 PolarHBondContact O-N 2.99Å; M103-V105 VanDerWaalsContact C-N 3.28Å; M103-V105 PolarHBondContact O-N 2.95Å; M103-S106 CarbonylContact O-C 3.45Å; M103-S106 WeakPolarHBondContact O-CA 3.38Å; M103-S106 PolarHBondContact O-N 3.19Å; M103-D107 VanDerWaalsContact O-CG 3.26Å; M103-D107 PolarHBondContact O-N 3.47Å |
| 104 | A | 91.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.008 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.6 | -35.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R83 A84 D100 I101 S106 | R83-A104 HydrophobicContact CB-CB 3.84Å; A84-A104 HydrophobicContact CB-CB 4.1Å; D100-A104 WeakPolarHBondContact O-CB 3.43Å; D100-A104 PolarHBondContact O-N 2.83Å; I101-A104 PolarHBondContact O-N 2.97Å; A104-S106 VanDerWaalsContact C-N 3.32Å |
| 105 | V | 92.2 | Very high | 88.8 | Confident | 6 Ų | 6 | 65.8 Ų | 65.8 | 4% | 0.036 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -75.7 | -22.4 | 176.2 | 168.4 | 0 | 0 | 0 | 0 | 112.1 | L80 I101 M103 F113 L116 R122 | L80-V105 HydrophobicContact CD1-CG2 3.78Å; I101-V105 HydrophobicContact CG2-CG2 4.22Å; I101-V105 WeakPolarHBondContact O-CB 3.37Å; I101-V105 VanDerWaalsContact O-CG2 3.3Å; I101-V105 WeakPolarHBondContact O-CG2 3.46Å; I101-V105 PolarHBondContact O-N 3.4Å; M103-V105 VanDerWaalsContact C-N 3.28Å; M103-V105 PolarHBondContact O-N 2.95Å; V105-F113 HydrophobicContact CB-CB 4.41Å; V105-F113 HydrophobicContact CG1-CB 4.05Å; V105-F113 HydrophobicContact CG2-CB 4.36Å; V105-L116 HydrophobicContact CG1-CB 3.92Å; V105-L116 HydrophobicContact CG1-CD1 4.29Å; V105-L116 HydrophobicContact CG2-CD1 3.75Å; V105-R122 VanDerWaalsContact CG1-NH2 3.3Å; V105-R122 PolarHBondContact O-NH2 3Å |
| 106 | S | 88.9 | Confident | 88.6 | Confident | 53 Ų | 53 | 62 Ų | 62 | 37% | 0.371 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -96.9 | -11.8 | 178.4 | -54.5 | 0 | 0 | 0 | 0 | 113.8 | A102 M103 A104 G108 R122 | A102-S106 VanDerWaalsContact O-CB 3.31Å; A102-S106 WeakPolarHBondContact O-CB 3.28Å; A102-S106 PolarHBondContact O-N 3.42Å; A102-S106 VanDerWaalsContact O-N 3.16Å; A102-S106 PolarHBondContact O-OG 3.47Å; M103-S106 CarbonylContact O-C 3.45Å; M103-S106 WeakPolarHBondContact O-CA 3.38Å; M103-S106 PolarHBondContact O-N 3.19Å; A104-S106 VanDerWaalsContact C-N 3.32Å; S106-G108 PolarHBondContact O-N 2.83Å; S106-R122 WeakPolarHBondContact OG-CD 3.34Å; S106-R122 PolarHBondContact OG-NH1 2.99Å |
| 107 | D | 81.6 | Confident | 88.2 | Confident | 58 Ų | 58 | 62.8 Ų | 62.8 | 31% | 0.31 | 34% | 0.339 | S | S | . | . | trans | -60.5 | 127.1 | 177.7 | -75 | -22 | 0 | 0 | 0 | 109.7 | H87 M103 D109 | H87-D107 IonicContact CD2-OD2 3.82Å; H87-D107 IonicContact CE1-OD1 3.54Å; H87-D107 IonicContact CE1-OD2 3.35Å; H87-D107 PolarHBondContact CE1-OD2 3.3Å; H87-D107 IonicContact NE2-OD1 3.57Å; H87-D107 IonicContact NE2-OD2 2.66Å; H87-D107 PolarHBondContact NE2-OD2 3.12Å; M103-D107 VanDerWaalsContact O-CG 3.26Å; M103-D107 PolarHBondContact O-N 3.47Å; D107-D109 PolarHBondContact O-N 3.37Å | ||
| 108 | G | 67.8 | Low | 88.1 | Confident | 82 Ų | 82 | 65.7 Ų | 65.7 | 85% | 0.845 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | 11 | -168 | 0 | 0 | 0 | 0 | 0 | 115.9 | S106 T110 | S106-G108 PolarHBondContact O-N 2.83Å; G108-T110 VanDerWaalsContact C-N 3.34Å |
| 109 | D | 70.9 | Confident | 88 | Confident | 84 Ų | 84 | 65.4 Ų | 65.4 | 45% | 0.449 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -29.5 | -175.5 | -67.7 | -17.5 | 0 | 0 | 0 | 112 | D107 | D107-D109 PolarHBondContact O-N 3.37Š|
| 110 | T | 68.9 | Low | 87.8 | Confident | 50 Ų | 50 | 62 Ų | 62 | 31% | 0.307 | 35% | 0.347 | S | S | . | . | trans | -154.4 | 130.5 | -178.2 | 51.4 | 0 | 0 | 0 | 0 | 111.5 | R83 G108 Q112 | R83-T110 PolarHBondContact NH1-OG1 2.95Å; R83-T110 VanDerWaalsContact NH1-OG1 3.09Å; G108-T110 VanDerWaalsContact C-N 3.34Å; T110-Q112 PolarHBondContact O-N 2.89Å; T110-Q112 VanDerWaalsContact O-N 3.13Å | ||
| 111 | D | 86.2 | Confident | 87.3 | Confident | 144 Ų | 144 | 66 Ų | 66 | 77% | 0.77 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -68.8 | 2 | 167.9 | 60.4 | -20.7 | 0 | 0 | 0 | 113.4 | F113 D114 | D111-F113 PolarHBondContact O-N 3.22Å; D111-F113 VanDerWaalsContact O-N 3.09Å; D111-D114 VanDerWaalsContact O-CB 3.31Å; D111-D114 WeakPolarHBondContact O-CB 3.29Å; D111-D114 PolarHBondContact O-N 3.03Å |
| 112 | Q | 90.4 | Very high | 86.4 | Confident | 91 Ų | 91 | 67.3 Ų | 67.3 | 43% | 0.425 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -52.2 | -31.9 | 177.7 | -175.9 | -177.6 | -23.9 | 0 | 0 | 113.9 | E79 T110 F115 | E79-Q112 PolarHBondContact OE2-NE2 3.43Å; E79-Q112 VanDerWaalsContact OE2-NE2 3.15Å; T110-Q112 PolarHBondContact O-N 2.89Å; T110-Q112 VanDerWaalsContact O-N 3.13Å; Q112-F115 VanDerWaalsContact O-CD1 3.29Å; Q112-F115 WeakPolarHBondContact O-CD1 3.42Å; Q112-F115 WeakPolarHBondContact O-CE1 3.48Å |
| 113 | F | 91.3 | Very high | 85 | Confident | 3 Ų | 3 | 75.7 Ų | 75.7 | 1% | 0.013 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -99.5 | 11.4 | -178.8 | -58.6 | -73.1 | 0 | 0 | 0 | 114.1 | F76 E79 L80 V105 D111 F115 L116 | F76-F113 HydrophobicContact CD2-CE1 4.27Å; F76-F113 AromaticContact CE2-CD1 3.92Å; F76-F113 HydrophobicContact CE2-CD1 3.92Å; F76-F113 AromaticContact CE2-CE1 3.66Å; F76-F113 HydrophobicContact CE2-CE1 3.66Å; E79-F113 HydrophobicContact CG-CZ 4.29Å; L80-F113 HydrophobicContact CD1-CD1 4.39Å; L80-F113 HydrophobicContact CD1-CE1 4.2Å; V105-F113 HydrophobicContact CB-CB 4.41Å; V105-F113 HydrophobicContact CG1-CB 4.05Å; V105-F113 HydrophobicContact CG2-CB 4.36Å; D111-F113 PolarHBondContact O-N 3.22Å; D111-F113 VanDerWaalsContact O-N 3.09Å; F113-F115 HydrophobicContact CD1-CE1 4.36Å; F113-F115 PolarHBondContact O-N 3.18Å; F113-L116 HydrophobicContact CB-CD1 4.29Å; F113-L116 HydrophobicContact CD1-CD1 4.13Å; F113-L116 WeakPolarHBondContact O-CB 3.35Å; F113-L116 PolarHBondContact O-N 3.03Å |
| 114 | D | 91.2 | Very high | 83.3 | Confident | 92 Ų | 92 | 80.7 Ų | 80.7 | 49% | 0.492 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -64 | -26.8 | -178.9 | -159.9 | 36.6 | 0 | 0 | 0 | 112.4 | D111 L116 I117 | D111-D114 VanDerWaalsContact O-CB 3.31Å; D111-D114 WeakPolarHBondContact O-CB 3.29Å; D111-D114 PolarHBondContact O-N 3.03Å; D114-L116 PolarHBondContact O-N 3.48Å; D114-I117 VanDerWaalsContact O-CG1 3.31Å; D114-I117 WeakPolarHBondContact O-CG1 3.32Å; D114-I117 VanDerWaalsContact O-CG2 3.28Å; D114-I117 WeakPolarHBondContact O-CG2 3.22Å; D114-I117 PolarHBondContact O-N 3.27Å; D114-I117 VanDerWaalsContact O-N 3.08Å; D114-I117 WeakPolarHBondContact OD1-CG2 3.41Å |
| 115 | F | 93.2 | Very high | 81.6 | Confident | 132 Ų | 132 | 85.2 Ų | 85.2 | 58% | 0.579 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -60.4 | -10 | 173.3 | 78.4 | -85.4 | 0 | 0 | 0 | 114.6 | F76 Q112 F113 | F76-F115 HydrophobicContact CE2-CE1 4.1Å; F76-F115 AromaticContact CE2-CZ 3.56Å; F76-F115 HydrophobicContact CE2-CZ 3.56Å; F76-F115 HydrophobicContact CZ-CE2 4.43Å; F76-F115 AromaticContact CZ-CZ 3.64Å; F76-F115 HydrophobicContact CZ-CZ 3.64Å; Q112-F115 VanDerWaalsContact O-CD1 3.29Å; Q112-F115 WeakPolarHBondContact O-CD1 3.42Å; Q112-F115 WeakPolarHBondContact O-CE1 3.48Å; F113-F115 HydrophobicContact CD1-CE1 4.36Å; F113-F115 PolarHBondContact O-N 3.18Å |
| 116 | L | 93.6 | Very high | 79.3 | Confident | 18 Ų | 18 | 96 Ų | 96 | 9% | 0.094 | 51% | 0.511 | C | S | . | . | G | 310 helix | trans | -97.8 | 0.8 | 178.9 | -62.4 | 176.1 | 0 | 0 | 0 | 114.2 | F76 V105 F113 D114 D118 I119 V120 | F76-L116 HydrophobicContact CZ-CD1 4.12Å; V105-L116 HydrophobicContact CG1-CB 3.92Å; V105-L116 HydrophobicContact CG1-CD1 4.29Å; V105-L116 HydrophobicContact CG2-CD1 3.75Å; F113-L116 HydrophobicContact CB-CD1 4.29Å; F113-L116 HydrophobicContact CD1-CD1 4.13Å; F113-L116 WeakPolarHBondContact O-CB 3.35Å; F113-L116 PolarHBondContact O-N 3.03Å; D114-L116 PolarHBondContact O-N 3.48Å; L116-D118 PolarHBondContact O-N 3.37Å; L116-I119 PolarHBondContact O-N 3.37Å; L116-V120 HydrophobicContact CB-CG2 4.18Å; L116-V120 PolarHBondContact O-N 2.93Å |
| 117 | I | 89.3 | Confident | 77.3 | Confident | 76 Ų | 76 | 96.5 Ų | 96.5 | 39% | 0.39 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -40.3 | -177.5 | 55.1 | 178.6 | 0 | 0 | 0 | 113.2 | D114 I119 R122 | D114-I117 VanDerWaalsContact O-CG1 3.31Å; D114-I117 WeakPolarHBondContact O-CG1 3.32Å; D114-I117 VanDerWaalsContact O-CG2 3.28Å; D114-I117 WeakPolarHBondContact O-CG2 3.22Å; D114-I117 PolarHBondContact O-N 3.27Å; D114-I117 VanDerWaalsContact O-N 3.08Å; D114-I117 WeakPolarHBondContact OD1-CG2 3.41Å; I117-I119 VanDerWaalsContact C-N 3.34Å; I117-R122 VanDerWaalsContact CG2-NH2 3.3Å |
| 118 | D | 91.6 | Very high | 75.5 | Confident | 147 Ų | 147 | 102.5 Ų | 102.5 | 79% | 0.786 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -13.4 | -176.8 | -60.3 | -38.3 | 0 | 0 | 0 | 112.7 | L116 | L116-D118 PolarHBondContact O-N 3.37Š|
| 119 | I | 92.9 | Very high | 74.6 | Confident | 126 Ų | 126 | 109.6 Ų | 109.6 | 65% | 0.646 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | -35 | -174.7 | -56.7 | -59.5 | 0 | 0 | 0 | 111.9 | L116 I117 P121 | L116-I119 PolarHBondContact O-N 3.37Å; I117-I119 VanDerWaalsContact C-N 3.34Å; I119-P121 WeakPolarHBondContact O-CD 3.48Å |
| 120 | V | 89.3 | Confident | 73.5 | Confident | 20 Ų | 20 | 116.1 Ų | 116.1 | 12% | 0.121 | 57% | 0.57 | C | S | . | * | S | Bend | trans | -108.5 | 95.6 | -177.8 | -178.1 | 0 | 0 | 0 | 0 | 108.4 | A102 L116 R122 | A102-V120 HydrophobicContact CB-CG1 3.79Å; L116-V120 HydrophobicContact CB-CG2 4.18Å; L116-V120 PolarHBondContact O-N 2.93Å; V120-R122 WeakPolarHBondContact O-CG 3.39Å; V120-R122 PolarHBondContact O-N 3.35Å |
| 121 | P | 83.6 | Confident | 72.6 | Confident | 82 Ų | 82 | 119.2 Ų | 119.2 | 53% | 0.532 | 59% | 0.591 | S | S | . | * | trans | -59.6 | 116 | -178 | -15.2 | 14.9 | 0 | 0 | 0 | 110.8 | R98 I119 | R98-P121 PolarHBondContact NH2-O 2.66Å; I119-P121 WeakPolarHBondContact O-CD 3.48Å | ||
| 122 | R | 74.8 | Confident | 70.7 | Confident | 79 Ų | 79 | 118.2 Ų | 118.2 | 30% | 0.298 | 59% | 0.59 | S | S | . | * | trans | -86.7 | 145.4 | 178.6 | -55.2 | -177.1 | -177.5 | -151.7 | 7.3 | 108.4 | V105 S106 I117 V120 E124 | V105-R122 VanDerWaalsContact CG1-NH2 3.3Å; V105-R122 PolarHBondContact O-NH2 3Å; S106-R122 WeakPolarHBondContact OG-CD 3.34Å; S106-R122 PolarHBondContact OG-NH1 2.99Å; I117-R122 VanDerWaalsContact CG2-NH2 3.3Å; V120-R122 WeakPolarHBondContact O-CG 3.39Å; V120-R122 PolarHBondContact O-N 3.35Å; R122-E124 VanDerWaalsContact C-N 3.34Å; R122-E124 PolarHBondContact O-N 3.25Å; R122-E124 VanDerWaalsContact O-N 3.07Å | ||
| 123 | E | 64.8 | Low | 68.9 | Low | 187 Ų | 187 | 122.5 Ų | 122.5 | 87% | 0.874 | 61% | 0.611 | S | S | * | * | trans | -71.5 | 102.1 | 159.8 | -171 | 67.2 | -153.3 | 0 | 0 | 105.1 | A125 | E123-A125 PolarHBondContact O-N 2.96Š| ||
| 124 | E | 55.9 | Low | 66.8 | Low | 163 Ų | 163 | 127.9 Ų | 127.9 | 76% | 0.762 | 64% | 0.643 | S | S | * | * | trans | -54.3 | 111.9 | 176.6 | -68.9 | -173.1 | -168.9 | 0 | 0 | 108 | R122 R126 | R122-E124 VanDerWaalsContact C-N 3.34Å; R122-E124 PolarHBondContact O-N 3.25Å; R122-E124 VanDerWaalsContact O-N 3.07Å; E124-R126 PolarHBondContact O-N 3.4Å | ||
| 125 | A | 55.7 | Low | 64.9 | Low | 96 Ų | 96 | 129.3 Ų | 129.3 | 79% | 0.793 | 66% | 0.656 | S | S | * | * | trans | -59.6 | 97.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | E123 G127 | E123-A125 PolarHBondContact O-N 2.96Å; A125-G127 PolarHBondContact O-N 3.43Å | ||
| 126 | R | 42.7 | Very low | 62.6 | Low | 233 Ų | 233 | 128.3 Ų | 128.3 | 88% | 0.879 | 67% | 0.665 | S | S | * | * | trans | -29.8 | 101.2 | -174.4 | -72.6 | -170.8 | 173.3 | -174.4 | -1.5 | 110.7 | E124 H128 | E124-R126 PolarHBondContact O-N 3.4Å; R126-H128 PolarHBondContact O-N 3.4Å; R126-H128 VanDerWaalsContact O-N 3.17Å | ||
| 127 | G | 47.7 | Very low | 60.5 | Low | 63 Ų | 63 | 131.8 Ų | 131.8 | 65% | 0.649 | 70% | 0.697 | S | S | * | * | trans | -52.7 | 125 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | A125 R129 | A125-G127 PolarHBondContact O-N 3.43Å; G127-R129 VanDerWaalsContact C-N 3.27Å; G127-R129 PolarHBondContact O-N 2.82Å | ||
| 128 | H | 44.5 | Very low | 58.6 | Low | 184 Ų | 184 | 133.4 Ų | 133.4 | 85% | 0.852 | 72% | 0.715 | S | S | * | * | trans | -53.2 | 91.4 | 169.1 | -86.4 | 57.9 | 0 | 0 | 0 | 109.9 | R126 | R126-H128 PolarHBondContact O-N 3.4Å; R126-H128 VanDerWaalsContact O-N 3.17Å | ||
| 129 | R | 48.8 | Very low | 56.3 | Low | 231 Ų | 231 | 134.5 Ų | 134.5 | 87% | 0.872 | 72% | 0.72 | S | S | * | * | trans | -125 | 85.5 | 159 | -75 | -89.2 | -165.7 | 160.9 | 3.7 | 106.3 | G127 P131 | G127-R129 VanDerWaalsContact C-N 3.27Å; G127-R129 PolarHBondContact O-N 2.82Å; R129-P131 VanDerWaalsContact O-CD 3.28Å; R129-P131 WeakPolarHBondContact O-CD 3.39Å | ||
| 130 | R | 47.1 | Very low | 54.3 | Low | 221 Ų | 221 | 132.3 Ų | 132.3 | 83% | 0.834 | 72% | 0.721 | S | S | * | * | trans | -58.2 | 116.6 | 160.1 | -130.7 | -176.8 | -76.6 | -177.8 | -4 | 106.2 | T132 | R130-T132 PolarHBondContact O-N 3.45Š| ||
| 131 | P | 50.5 | Low | 52 | Low | 115 Ų | 115 | 139.4 Ų | 139.4 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | trans | -79.3 | 100.7 | 164.9 | 23.4 | -12.4 | 0 | 0 | 0 | 106.5 | R129 Q133 | R129-P131 VanDerWaalsContact O-CD 3.28Å; R129-P131 WeakPolarHBondContact O-CD 3.39Å; P131-Q133 VanDerWaalsContact C-N 3.29Å; P131-Q133 PolarHBondContact O-N 3.01Å | ||
| 132 | T | 45.7 | Very low | 50.2 | Low | 124 Ų | 124 | 138.8 Ų | 138.8 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | trans | -66.8 | 90.8 | 165.7 | -44.4 | 0 | 0 | 0 | 0 | 107.6 | R130 | R130-T132 PolarHBondContact O-N 3.45Š| ||
| 133 | Q | 53.8 | Low | 48.7 | Very low | 181 Ų | 181 | 143.1 Ų | 143.1 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -103.2 | 99 | 160 | -90.2 | -174.4 | 30.3 | 0 | 0 | 108.7 | P131 | P131-Q133 VanDerWaalsContact C-N 3.29Å; P131-Q133 PolarHBondContact O-N 3.01Å | ||
| 134 | T | 45.7 | Very low | 47.6 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | -52.9 | 124.1 | 148.2 | 42.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 135 | T | 51.1 | Low | 47.2 | Very low | 123 Ų | 123 | 138 Ų | 138 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | 161.7 | 128.9 | 126.8 | 43.2 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 136 | S | 46.1 | Very low | 46.5 | Very low | 110 Ų | 110 | 141 Ų | 141 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | 73.3 | 98.5 | 148.2 | -49 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 137 | A | 49.7 | Very low | 46.7 | Very low | 92 Ų | 92 | 138 Ų | 138 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | 76.2 | 113.4 | 85.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 138 | S | 48.5 | Very low | 46.6 | Very low | 110 Ų | 110 | 143.6 Ų | 143.6 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | 54.9 | 112 | 148.5 | 59.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 139 | N | 44 | Very low | 46.4 | Very low | 169 Ų | 169 | 139 Ų | 139 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | -176.5 | 154.3 | 98.6 | -125.8 | 6.4 | 0 | 0 | 0 | 113.2 | |||||
| 140 | A | 49.9 | Very low | 45.8 | Very low | 80 Ų | 80 | 136.4 Ų | 136.4 | 66% | 0.661 | 79% | 0.789 | S | S | * | * | trans | -88.7 | 177.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 141 | N | 41.9 | Very low | 45.4 | Very low | 170 Ų | 170 | 132.6 Ų | 132.6 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | 80.4 | 136.7 | 174.2 | -71.2 | 0.8 | 0 | 0 | 0 | 115.9 | ||||
| 142 | G | 45.4 | Very low | 45.1 | Very low | 69 Ų | 69 | 131.5 Ų | 131.5 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | cis | 161.9 | 147 | 4.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 143 | N | 43.3 | Very low | 44.8 | Very low | 169 Ų | 169 | 130.9 Ų | 130.9 | 90% | 0.904 | 78% | 0.778 | S | S | * | * | trans | 82 | 132.8 | 153 | -134.2 | 33.2 | 0 | 0 | 0 | 121.9 | ||||
| 144 | S | 42.8 | Very low | 44.4 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -93.3 | 139 | -175.7 | -45.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 145 | T | 46.9 | Very low | 43.9 | Very low | 140 Ų | 140 | 134.5 Ų | 134.5 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | trans | -159.1 | 101.9 | 147.2 | 41.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 146 | N | 40.5 | Very low | 43.4 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | trans | 8.7 | 112.8 | 132 | -147.9 | -14.7 | 0 | 0 | 0 | 118.4 | ||||
| 147 | I | 46.9 | Very low | 43.1 | Very low | 169 Ų | 169 | 137.5 Ų | 137.5 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | -142.6 | 135 | 144.2 | -69.2 | -162.2 | 0 | 0 | 0 | 109.7 | ||||
| 148 | K | 45.6 | Very low | 42.4 | Very low | 182 Ų | 182 | 141.8 Ų | 141.8 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -89.2 | 156.3 | -174.9 | 178.5 | -179.3 | 177.7 | -176.5 | 0 | 111.4 | ||||
| 149 | S | 41.3 | Very low | 42.1 | Very low | 87 Ų | 87 | 143.4 Ų | 143.4 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | trans | 91.5 | 112.6 | 159 | -110.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 150 | E | 35.8 | Very low | 41.8 | Very low | 177 Ų | 177 | 140.2 Ų | 140.2 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | trans | 81.3 | 102.7 | 130.4 | -71.9 | 170 | 128.8 | 0 | 0 | 121.5 | ||||
| 151 | N | 38.8 | Very low | 41 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | 71.7 | 102.4 | 132.2 | -156.2 | 36.6 | 0 | 0 | 0 | 118.9 | ||||
| 152 | P | 43.7 | Very low | 41 | Very low | 93 Ų | 93 | 141.9 Ų | 141.9 | 60% | 0.604 | 77% | 0.771 | S | S | * | * | trans | -118.4 | 102.8 | 161.4 | 34.8 | -19.2 | 0 | 0 | 0 | 111.8 | H154 | P152-H154 VanDerWaalsContact CB-CD2 3.44Å; P152-H154 WeakPolarHBondContact CB-CD2 3.44Å; P152-H154 WeakPolarHBondContact CB-NE2 3.2Å; P152-H154 PolarHBondContact O-N 3.39Å | ||
| 153 | S | 39.1 | Very low | 40.6 | Very low | 111 Ų | 111 | 145.6 Ų | 145.6 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -74.5 | 76.3 | 157.9 | -60.5 | 0 | 0 | 0 | 0 | 109.2 | R155 | S153-R155 PolarHBondContact O-N 3.32Š| ||
| 154 | H | 44.5 | Very low | 40.5 | Very low | 155 Ų | 155 | 144.8 Ų | 144.8 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | trans | -78.5 | 101.5 | 163.9 | -66.4 | -59 | 0 | 0 | 0 | 107.3 | P152 | P152-H154 VanDerWaalsContact CB-CD2 3.44Å; P152-H154 WeakPolarHBondContact CB-CD2 3.44Å; P152-H154 WeakPolarHBondContact CB-NE2 3.2Å; P152-H154 PolarHBondContact O-N 3.39Å | ||
| 155 | R | 36.2 | Very low | 40.4 | Very low | 217 Ų | 217 | 145.8 Ų | 145.8 | 82% | 0.819 | 77% | 0.772 | S | S | * | * | 47.6 | 79.2 | 82.5 | -164.4 | -176.8 | -71.9 | 160.5 | -1.3 | 112.6 | S153 | S153-R155 PolarHBondContact O-N 3.32Š| |||
| 156 | N | 40.8 | Very low | 40 | Very low | 162 Ų | 162 | 146.9 Ų | 146.9 | 87% | 0.866 | 77% | 0.767 | S | S | * | * | trans | -105.9 | 89.1 | 153.6 | -72.9 | -11.6 | 0 | 0 | 0 | 108.1 | ||||
| 157 | N | 39.3 | Very low | 39.8 | Very low | 134 Ų | 134 | 145 Ų | 145 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | trans | -84.2 | 109.5 | 164.4 | -125.9 | 31 | 0 | 0 | 0 | 106 | ||||
| 158 | F | 36.3 | Very low | 39.5 | Very low | 181 Ų | 181 | 145.3 Ų | 145.3 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | -103.7 | 96.5 | 172.5 | -154.7 | -100.3 | 0 | 0 | 0 | 109.1 | T160 | F158-T160 HydrophobicContact CE1-CG2 4.14Å; F158-T160 WeakPolarHBondContact CE1-OG1 3.44Å; F158-T160 HydrophobicContact CZ-CG2 4.27Å | ||
| 159 | L | 40.6 | Very low | 39 | Very low | 145 Ų | 145 | 142.2 Ų | 142.2 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | trans | -88.5 | 113.7 | 159.1 | -83.3 | 82.6 | 0 | 0 | 0 | 107.6 | ||||
| 160 | T | 39.1 | Very low | 38.8 | Very low | 102 Ų | 102 | 146 Ų | 146 | 63% | 0.626 | 78% | 0.783 | S | S | * | * | trans | -157 | 97.3 | 144.9 | 60.5 | 0 | 0 | 0 | 0 | 106.6 | F158 | F158-T160 HydrophobicContact CE1-CG2 4.14Å; F158-T160 WeakPolarHBondContact CE1-OG1 3.44Å; F158-T160 HydrophobicContact CZ-CG2 4.27Å | ||
| 161 | N | 31.9 | Very low | 38.9 | Very low | 152 Ų | 152 | 141 Ų | 141 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | 64.3 | 85.4 | 98.5 | -164.4 | 65.5 | 0 | 0 | 0 | 114.7 | |||||
| 162 | T | 41.6 | Very low | 38.7 | Very low | 133 Ų | 133 | 143.3 Ų | 143.3 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | trans | -157.9 | 137 | 134.1 | 45.6 | 0 | 0 | 0 | 0 | 108.7 | D164 | T162-D164 PolarHBondContact O-N 3.08Š| ||
| 163 | N | 38.2 | Very low | 38.3 | Very low | 146 Ų | 146 | 146 Ų | 146 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | trans | -42.8 | 121.8 | 173.4 | -67.3 | -24.7 | 0 | 0 | 0 | 111.2 | ||||
| 164 | D | 40.2 | Very low | 38.1 | Very low | 152 Ų | 152 | 146 Ų | 146 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | 173.7 | 120 | 129.7 | -79.9 | -30.5 | 0 | 0 | 0 | 108.3 | T162 H166 | T162-D164 PolarHBondContact O-N 3.08Å; D164-H166 PolarHBondContact O-N 3.46Å | |||
| 165 | T | 40.7 | Very low | 37.4 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 77% | 0.767 | 81% | 0.805 | S | S | * | * | trans | -55 | 98.4 | 179.9 | 39.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 166 | H | 38.8 | Very low | 37.2 | Very low | 163 Ų | 163 | 140.1 Ų | 140.1 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | -174.4 | 97.1 | 152 | -74.3 | -44.6 | 0 | 0 | 0 | 110.3 | D164 | D164-H166 PolarHBondContact O-N 3.46Š| ||
| 167 | S | 35.9 | Very low | 36.7 | Very low | 120 Ų | 120 | 141 Ų | 141 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | -116.9 | 119.6 | 171.7 | 66.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 168 | L | 40.5 | Very low | 36.3 | Very low | 174 Ų | 174 | 139.5 Ų | 139.5 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | trans | -99.8 | 118.1 | 171.7 | -72.8 | 164 | 0 | 0 | 0 | 109.2 | ||||
| 169 | S | 36.1 | Very low | 36.1 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -104.5 | 123.7 | 172.5 | 71 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 170 | L | 37.8 | Very low | 35.7 | Very low | 165 Ų | 165 | 135.7 Ų | 135.7 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | -95.7 | 115.8 | 171.9 | -95.1 | 71.6 | 0 | 0 | 0 | 110.2 | ||||
| 171 | G | 36.3 | Very low | 35.4 | Very low | 73 Ų | 73 | 134.4 Ų | 134.4 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | -94.6 | 127.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | N173 | G171-N173 PolarHBondContact O-N 3.31Š| ||
| 172 | Q | 35.1 | Very low | 35.4 | Very low | 188 Ų | 188 | 134.2 Ų | 134.2 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | trans | -71.5 | 107.4 | 170.8 | -77.9 | 174.7 | -11 | 0 | 0 | 110 | ||||
| 173 | N | 34.7 | Very low | 35 | Very low | 149 Ų | 149 | 133 Ų | 133 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | 173.8 | 137.8 | 138.7 | -90 | -20.4 | 0 | 0 | 0 | 108.7 | G171 | G171-N173 PolarHBondContact O-N 3.31Š| ||
| 174 | S | 36.1 | Very low | 34.8 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | S | Bend | trans | 60 | 91.8 | 169.5 | 52.5 | 0 | 0 | 0 | 0 | 117.9 | H176 | S174-H176 PolarHBondContact O-N 3.1Š|
| 175 | G | 30.3 | Very low | 34.2 | Very low | 91 Ų | 91 | 134.1 Ų | 134.1 | 94% | 0.938 | 81% | 0.807 | S | S | * | * | S | Bend | 58.9 | 12.6 | 119.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||
| 176 | H | 30.8 | Very low | 33.9 | Very low | 159 Ų | 159 | 134.6 Ų | 134.6 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | trans | -150 | 108.1 | 179.8 | -150.4 | -89.3 | 0 | 0 | 0 | 112 | S174 V178 | S174-H176 PolarHBondContact O-N 3.1Å; H176-V178 WeakPolarHBondContact ND1-CG2 3.45Å | ||
| 177 | M | 30.7 | Very low | 33.3 | Very low | 181 Ų | 181 | 133.8 Ų | 133.8 | 89% | 0.892 | 82% | 0.817 | S | S | * | * | trans | -95.7 | 113.5 | 169.1 | -73.5 | -161 | -65.9 | 0 | 0 | 109.5 | ||||
| 178 | V | 31.8 | Very low | 33.1 | Very low | 102 Ų | 102 | 131.6 Ų | 131.6 | 62% | 0.618 | 81% | 0.812 | S | S | * | * | trans | -104.5 | 117.5 | 170.1 | -176.1 | 0 | 0 | 0 | 0 | 107 | H176 | H176-V178 WeakPolarHBondContact ND1-CG2 3.45Š| ||
| 179 | V | 32 | Very low | 32.4 | Very low | 141 Ų | 141 | 128.9 Ų | 128.9 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -101.1 | 103.6 | 168.4 | 178 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 180 | S | 32.4 | Very low | 32.1 | Very low | 104 Ų | 104 | 129 Ų | 129 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 132.5 | 170.4 | -59.7 | 0 | 0 | 0 | 0 | 109.6 | ||
| 181 | G | 31.7 | Very low | 31.5 | Very low | 75 Ų | 75 | 127.7 Ų | 127.7 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 153.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 182 | L | 31.7 | Very low | 31.3 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -93 | 138.6 | 169.5 | -72.9 | 161.4 | 0 | 0 | 0 | 109.9 | ||
| 183 | S | 33.3 | Very low | 30.8 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 135.5 | -169.6 | -45.7 | 0 | 0 | 0 | 0 | 115.5 | ||
| 184 | N | 34.2 | Very low | 30.5 | Very low | 166 Ų | 166 | 130.1 Ų | 130.1 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | -109.3 | 110.1 | 144.8 | -100.9 | 25.1 | 0 | 0 | 0 | 107.1 | V186 | N184-V186 PolarHBondContact O-N 3.37Š| ||
| 185 | D | 28.2 | Very low | 29.9 | Very low | 156 Ų | 156 | 130.9 Ų | 130.9 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | trans | -60.2 | 113.3 | 160.5 | -91.6 | -40.5 | 0 | 0 | 0 | 108.5 | ||||
| 186 | V | 32.9 | Very low | 29.6 | Very low | 135 Ų | 135 | 132.9 Ų | 132.9 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -162.4 | 120.6 | 133.6 | 162.5 | 0 | 0 | 0 | 0 | 107.7 | N184 | N184-V186 PolarHBondContact O-N 3.37Š| ||
| 187 | T | 27.8 | Very low | 29.4 | Very low | 147 Ų | 147 | 131.2 Ų | 131.2 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -31 | 126.4 | 169.7 | -13.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 188 | G | 30 | Very low | 29.1 | Very low | 73 Ų | 73 | 129.2 Ų | 129.2 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | 162.5 | 102.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 189 | S | 26.5 | Very low | 28.7 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -47.3 | 131.3 | 177.5 | 52.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 190 | S | 30.1 | Very low | 28.2 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | 162 | 151.6 | 120.3 | 55.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 191 | T | 26.1 | Very low | 27.9 | Very low | 139 Ų | 139 | 130.4 Ų | 130.4 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | trans | -86.6 | 128.4 | -159.3 | 46 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 192 | Q | 30.7 | Very low | 27.5 | Very low | 171 Ų | 171 | 132.7 Ų | 132.7 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | trans | -172.9 | 134.6 | 139.7 | -151.9 | 168.2 | 18.6 | 0 | 0 | 112.3 | ||||
| 193 | P | 25.3 | Very low | 27.4 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | trans | -87.7 | 135.4 | 175.2 | 34 | -30 | 0 | 0 | 0 | 111.1 | ||||
| 194 | Q | 27.1 | Very low | 27 | Very low | 169 Ų | 169 | 130.5 Ų | 130.5 | 79% | 0.79 | 83% | 0.829 | S | S | * | * | trans | -115.9 | 121.1 | 173.9 | -76 | -101 | -1.5 | 0 | 0 | 110.3 | ||||
| 195 | T | 25.3 | Very low | 26.7 | Very low | 127 Ų | 127 | 130.8 Ų | 130.8 | 78% | 0.779 | 83% | 0.829 | S | S | * | * | trans | -71.8 | 135.9 | 176.6 | -56.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 196 | V | 24.2 | Very low | 26.7 | Very low | 133 Ų | 133 | 128.1 Ų | 128.1 | 81% | 0.806 | 83% | 0.828 | S | S | * | * | trans | -113.8 | 116.3 | 174.1 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 197 | T | 26.1 | Very low | 26.3 | Very low | 124 Ų | 124 | 125.5 Ų | 125.5 | 76% | 0.761 | 83% | 0.829 | S | S | * | * | trans | -95.8 | 126.3 | 176 | -57.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 198 | V | 23.2 | Very low | 26.2 | Very low | 139 Ų | 139 | 122.9 Ų | 122.9 | 84% | 0.842 | 82% | 0.822 | S | S | * | * | trans | -108.9 | 123.9 | 171.8 | -117.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 199 | A | 24.3 | Very low | 26.1 | Very low | 94 Ų | 94 | 126.4 Ų | 126.4 | 78% | 0.777 | 83% | 0.829 | S | S | * | * | trans | -118.6 | 121.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 200 | L | 22.2 | Very low | 26 | Very low | 175 Ų | 175 | 125.9 Ų | 125.9 | 92% | 0.916 | 83% | 0.826 | S | S | * | * | trans | -72.5 | 138.8 | 163.8 | -88 | 84.8 | 0 | 0 | 0 | 109.2 | ||||
| 201 | A | 25.7 | Very low | 25.9 | Very low | 103 Ų | 103 | 127.3 Ų | 127.3 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | trans | -140.6 | 112 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 202 | S | 23.6 | Very low | 25.8 | Very low | 122 Ų | 122 | 127.4 Ų | 127.4 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | -67.5 | 144.8 | 159.9 | -54.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 203 | A | 28.2 | Very low | 25.6 | Very low | 105 Ų | 105 | 125.1 Ų | 125.1 | 87% | 0.868 | 83% | 0.827 | S | S | * | * | trans | -151.2 | 104.7 | 160.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 204 | A | 25.2 | Very low | 25.6 | Very low | 105 Ų | 105 | 123.2 Ų | 123.2 | 87% | 0.868 | 82% | 0.822 | S | S | * | * | trans | -87.8 | 144.6 | 150.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 205 | L | 28.2 | Very low | 25.6 | Very low | 172 Ų | 172 | 123.4 Ų | 123.4 | 90% | 0.901 | 83% | 0.826 | S | S | * | * | trans | -137.1 | 124.7 | 173.9 | -171.9 | 71.3 | 0 | 0 | 0 | 109.8 | ||||
| 206 | A | 27.8 | Very low | 25.7 | Very low | 99 Ų | 99 | 123 Ų | 123 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | 163.3 | 121.1 | 110.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 207 | G | 25.8 | Very low | 25.7 | Very low | 80 Ų | 80 | 122.6 Ų | 122.6 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | trans | -176 | 103.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 208 | A | 25.1 | Very low | 25.8 | Very low | 92 Ų | 92 | 126.2 Ų | 126.2 | 76% | 0.76 | 84% | 0.836 | S | S | * | * | trans | -57.8 | 147.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 209 | T | 27.9 | Very low | 25.8 | Very low | 148 Ų | 148 | 125.1 Ų | 125.1 | 91% | 0.908 | 83% | 0.83 | S | S | * | * | 177.9 | 143.4 | 117.3 | 30.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 210 | S | 23.7 | Very low | 25.8 | Very low | 106 Ų | 106 | 129 Ų | 129 | 74% | 0.741 | 84% | 0.836 | S | S | * | * | trans | -62.2 | 144.9 | -177.8 | -176.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 211 | V | 28 | Very low | 25.9 | Very low | 150 Ų | 150 | 126.4 Ų | 126.4 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | -162.2 | 131.4 | 127.2 | -94.7 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 212 | N | 23.4 | Very low | 25.9 | Very low | 141 Ų | 141 | 129.6 Ų | 129.6 | 75% | 0.754 | 83% | 0.825 | S | S | * | * | trans | -76.2 | 144.2 | -179.3 | -175.9 | 31.4 | 0 | 0 | 0 | 112 | ||||
| 213 | S | 28.1 | Very low | 26 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | trans | -168.6 | 111.7 | 147.3 | -78 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 214 | A | 25 | Very low | 25.8 | Very low | 82 Ų | 82 | 134.2 Ų | 134.2 | 68% | 0.678 | 82% | 0.82 | S | S | * | * | trans | -75.5 | 163.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 215 | I | 26.8 | Very low | 25.8 | Very low | 173 Ų | 173 | 137.4 Ų | 137.4 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | trans | 176.4 | 148.3 | 140.6 | -89.3 | 154.9 | 0 | 0 | 0 | 109.6 | ||||
| 216 | P | 27.6 | Very low | 25.7 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | trans | -114.4 | 172.8 | -130 | 40.9 | -33.1 | 0 | 0 | 0 | 117.1 | ||||
| 217 | C | 23.3 | Very low | 25.6 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -59.6 | 149.7 | 177.4 | -59.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 218 | Q | 28.9 | Very low | 25.6 | Very low | 199 Ų | 199 | 135.9 Ų | 135.9 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | trans | -126.3 | 136 | 152.5 | -74 | -137.3 | 69.9 | 0 | 0 | 111.3 | ||||
| 219 | T | 22.5 | Very low | 25.5 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | trans | -78.4 | 139.3 | -179.4 | -53.8 | 0 | 0 | 0 | 0 | 111.2 | V221 | T219-V221 HydrophobicContact CG2-CG2 3.81Š| ||
| 220 | L | 25.9 | Very low | 25.3 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | trans | -136.3 | 123.4 | 156 | -106.4 | 152.9 | 0 | 0 | 0 | 109.1 | ||||
| 221 | V | 23.4 | Very low | 25.3 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -97.6 | 115.3 | -175 | -173.1 | 0 | 0 | 0 | 0 | 107.3 | T219 | T219-V221 HydrophobicContact CG2-CG2 3.81Š| ||
| 222 | Q | 25.4 | Very low | 25 | Very low | 170 Ų | 170 | 140.2 Ų | 140.2 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -163.7 | 119.5 | 155.6 | -150.9 | 119.3 | 17.3 | 0 | 0 | 113.8 | ||||
| 223 | Q | 26.2 | Very low | 25.1 | Very low | 167 Ų | 167 | 139.7 Ų | 139.7 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | trans | 70.7 | 91.9 | 140.2 | -134.7 | 162 | 27.5 | 0 | 0 | 121.2 | ||||
| 224 | N | 24.8 | Very low | 24.8 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | 53.6 | 80.8 | 117.9 | -154.8 | 79.2 | 0 | 0 | 0 | 119.3 | |||||
| 225 | Q | 24.1 | Very low | 24.8 | Very low | 172 Ų | 172 | 143.3 Ų | 143.3 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -159.6 | 132.9 | 155.6 | -151.7 | 168.6 | 37.1 | 0 | 0 | 111.5 | T227 | Q225-T227 PolarHBondContact O-N 3.1Å; Q225-T227 VanDerWaalsContact O-N 3.12Å | ||
| 226 | P | 26.4 | Very low | 24.6 | Very low | 103 Ų | 103 | 140.8 Ų | 140.8 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | trans | -73.3 | 109.6 | -178.2 | 29.7 | -31.1 | 0 | 0 | 0 | 109.4 | ||||
| 227 | T | 25.4 | Very low | 24.6 | Very low | 127 Ų | 127 | 139 Ų | 139 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -83.7 | 123.6 | -179.6 | -3.3 | 0 | 0 | 0 | 0 | 109.4 | Q225 V229 | Q225-T227 PolarHBondContact O-N 3.1Å; Q225-T227 VanDerWaalsContact O-N 3.12Å; T227-V229 PolarHBondContact O-N 2.99Å | ||
| 228 | A | 25 | Very low | 24.8 | Very low | 89 Ų | 89 | 139.1 Ų | 139.1 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -60 | 126 | 172 | 0 | 0 | 0 | 0 | 0 | 110 | H230 | A228-H230 PolarHBondContact O-N 3.3Š| ||
| 229 | V | 24.9 | Very low | 24.6 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 68% | 0.679 | 79% | 0.79 | S | S | * | * | trans | -83.7 | 104.9 | -178.6 | -156.5 | 0 | 0 | 0 | 0 | 108.4 | T227 F231 | T227-V229 PolarHBondContact O-N 2.99Å; V229-F231 HydrophobicContact CB-CE2 4.01Å; V229-F231 HydrophobicContact CB-CZ 4.41Å; V229-F231 HydrophobicContact CG1-CD2 4.33Å; V229-F231 HydrophobicContact CG1-CE1 4.28Å; V229-F231 HydrophobicContact CG1-CE2 3.75Å; V229-F231 HydrophobicContact CG1-CZ 3.72Å | ||
| 230 | H | 23.5 | Very low | 24.8 | Very low | 175 Ų | 175 | 136.4 Ų | 136.4 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | -87.8 | 111 | 171.9 | -117.5 | -110.3 | 0 | 0 | 0 | 108.8 | A228 | A228-H230 PolarHBondContact O-N 3.3Š| ||
| 231 | F | 23.8 | Very low | 24.7 | Very low | 179 Ų | 179 | 132.1 Ų | 132.1 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -87.8 | 116.1 | 174.1 | -68.3 | -84.6 | 0 | 0 | 0 | 110 | V229 | V229-F231 HydrophobicContact CB-CE2 4.01Å; V229-F231 HydrophobicContact CB-CZ 4.41Å; V229-F231 HydrophobicContact CG1-CD2 4.33Å; V229-F231 HydrophobicContact CG1-CE1 4.28Å; V229-F231 HydrophobicContact CG1-CE2 3.75Å; V229-F231 HydrophobicContact CG1-CZ 3.72Å | ||
| 232 | T | 21.6 | Very low | 24.7 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | trans | -115.2 | 112.2 | 167.4 | -59.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 233 | T | 24.2 | Very low | 24.5 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | trans | -99.1 | 121 | 174.4 | -57 | 0 | 0 | 0 | 0 | 110 | ||||
| 234 | I | 21.3 | Very low | 24.4 | Very low | 162 Ų | 162 | 130.9 Ų | 130.9 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | trans | -103.4 | 127.7 | 167.2 | 18.2 | 172.5 | 0 | 0 | 0 | 106.2 | ||||
| 235 | S | 25.4 | Very low | 24.3 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -138.8 | 115.4 | 172.5 | -172.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 236 | S | 24 | Very low | 24.3 | Very low | 119 Ų | 119 | 124.2 Ų | 124.2 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -96.1 | 143.6 | 166.3 | 44.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 237 | G | 27.5 | Very low | 24.2 | Very low | 80 Ų | 80 | 121.5 Ų | 121.5 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | 162 | 86.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 238 | S | 27.4 | Very low | 24.2 | Very low | 128 Ų | 128 | 123 Ų | 123 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | trans | -59.9 | 134 | 159 | 44 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 239 | G | 24.8 | Very low | 24.4 | Very low | 77 Ų | 77 | 124.9 Ų | 124.9 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | -93.9 | 145 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 240 | L | 25.3 | Very low | 24.4 | Very low | 182 Ų | 182 | 123.3 Ų | 123.3 | 95% | 0.953 | 78% | 0.784 | S | S | * | * | trans | -134.5 | 142.5 | 160.3 | -126.3 | 95.7 | 0 | 0 | 0 | 109 | ||||
| 241 | A | 23.6 | Very low | 24.5 | Very low | 85 Ų | 85 | 120.2 Ų | 120.2 | 70% | 0.702 | 78% | 0.781 | S | S | * | * | trans | -77.4 | 168.5 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 242 | I | 23.4 | Very low | 24.5 | Very low | 168 Ų | 168 | 117.1 Ų | 117.1 | 86% | 0.862 | 78% | 0.777 | S | S | * | * | 178 | 120.1 | 119.8 | -78.2 | 147.3 | 0 | 0 | 0 | 111.1 | |||||
| 243 | A | 22.7 | Very low | 24.7 | Very low | 82 Ų | 82 | 118.1 Ų | 118.1 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | trans | 31.9 | 130.8 | 143.6 | 0 | 0 | 0 | 0 | 0 | 126.7 | ||||
| 244 | Q | 22.9 | Very low | 24.7 | Very low | 181 Ų | 181 | 119.8 Ų | 119.8 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | 96.2 | 115.6 | 122.4 | -86.4 | -179.2 | -25.8 | 0 | 0 | 124.8 | |||||
| 245 | S | 22.2 | Very low | 24.8 | Very low | 96 Ų | 96 | 116.1 Ų | 116.1 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | trans | 64.4 | 155 | 136.2 | 75.9 | 0 | 0 | 0 | 0 | 119.7 | S365 | S245-S365 VanDerWaalsContact C-OG 3.31Š| ||
| 246 | S | 24 | Very low | 24.8 | Very low | 94 Ų | 94 | 115 Ų | 115 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | cis | -155 | 178.9 | 4.7 | -173.3 | 0 | 0 | 0 | 0 | 108.8 | S365 | S246-S365 WeakPolarHBondContact CA-OG 3.48Å; S246-S365 PolarHBondContact N-OG 3.1Å; S246-S365 WeakPolarHBondContact O-CB 3.42Å; S246-S365 PolarHBondContact O-OG 3.24Å | ||
| 247 | A | 25.1 | Very low | 24.8 | Very low | 47 Ų | 47 | 114.6 Ų | 114.6 | 39% | 0.388 | 78% | 0.775 | S | S | . | * | trans | -67.2 | 157.6 | -165.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 248 | N | 25.6 | Very low | 24.7 | Very low | 158 Ų | 158 | 115.4 Ų | 115.4 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | trans | -97.4 | 125 | 166.5 | -88 | -9.3 | 0 | 0 | 0 | 111.2 | ||||
| 249 | S | 29.2 | Very low | 24.7 | Very low | 129 Ų | 129 | 114.8 Ų | 114.8 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | 176.2 | 121.3 | 125.7 | -77.9 | 0 | 0 | 0 | 0 | 111 | |||||
| 250 | G | 25.4 | Very low | 24.7 | Very low | 79 Ų | 79 | 118.9 Ų | 118.9 | 81% | 0.814 | 77% | 0.77 | S | S | * | * | trans | 128.3 | 105.9 | 155.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 251 | S | 26.1 | Very low | 24.7 | Very low | 109 Ų | 109 | 114.5 Ų | 114.5 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | trans | 81.2 | 110.9 | 144.4 | -131.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 252 | T | 23.6 | Very low | 24.8 | Very low | 114 Ų | 114 | 116.9 Ų | 116.9 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | trans | 40.7 | 115.4 | 133.6 | 45 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 253 | V | 25.7 | Very low | 24.8 | Very low | 142 Ų | 142 | 115 Ų | 115 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | -175.9 | 130.6 | 98.3 | -92.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 254 | I | 23 | Very low | 24.9 | Very low | 164 Ų | 164 | 116.3 Ų | 116.3 | 84% | 0.841 | 76% | 0.762 | S | S | * | * | trans | -3.3 | 127.5 | 148.6 | -52.4 | -170.2 | 0 | 0 | 0 | 117.9 | ||||
| 255 | A | 24.3 | Very low | 24.9 | Very low | 86 Ų | 86 | 111.6 Ų | 111.6 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | 167.8 | 130.2 | 110.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 256 | A | 24.5 | Very low | 25.1 | Very low | 96 Ų | 96 | 113 Ų | 113 | 79% | 0.793 | 76% | 0.759 | S | S | * | * | trans | 57.6 | 141.4 | 141.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 257 | S | 23.9 | Very low | 25.3 | Very low | 110 Ų | 110 | 114.8 Ų | 114.8 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | cis | 173.4 | 123.2 | -7.9 | 45.4 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 258 | A | 26.4 | Very low | 25.5 | Very low | 97 Ų | 97 | 117.3 Ų | 117.3 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -176.1 | 131.9 | 147.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 259 | P | 26.6 | Very low | 25.8 | Very low | 115 Ų | 115 | 113.3 Ų | 113.3 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | trans | -87.8 | 162.7 | -174.9 | 36.4 | -32.6 | 0 | 0 | 0 | 111.4 | ||||
| 260 | N | 25.7 | Very low | 25.9 | Very low | 163 Ų | 163 | 112.4 Ų | 112.4 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | trans | 83.7 | 75.1 | 172.7 | -62.2 | -1.6 | 0 | 0 | 0 | 117.5 | ||||
| 261 | A | 25.1 | Very low | 26.2 | Very low | 89 Ų | 89 | 113.4 Ų | 113.4 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | trans | -151 | 100.9 | 143.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | T263 | A261-T263 PolarHBondContact O-N 3.25Š| ||
| 262 | T | 25.4 | Very low | 26.4 | Very low | 136 Ų | 136 | 110.8 Ų | 110.8 | 83% | 0.834 | 73% | 0.729 | S | S | * | * | trans | -61 | 100.9 | 172.3 | -55.7 | 0 | 0 | 0 | 0 | 109 | V264 | T262-V264 HydrophobicContact CG2-CG2 4.26Å; T262-V264 PolarHBondContact O-N 3.32Å | ||
| 263 | T | 23.9 | Very low | 26.9 | Very low | 127 Ų | 127 | 110.8 Ų | 110.8 | 78% | 0.779 | 72% | 0.716 | S | S | * | * | trans | -84.3 | 101.4 | 172 | -54.9 | 0 | 0 | 0 | 0 | 107.5 | A261 A265 | A261-T263 PolarHBondContact O-N 3.25Å; T263-A265 PolarHBondContact O-N 3.3Å; T263-A265 VanDerWaalsContact O-N 3.1Å | ||
| 264 | V | 23.4 | Very low | 27.3 | Very low | 110 Ų | 110 | 106.3 Ų | 106.3 | 67% | 0.667 | 69% | 0.689 | S | S | * | * | trans | -74.1 | 98 | 170.2 | -178.2 | 0 | 0 | 0 | 0 | 107.3 | T262 T266 | T262-V264 HydrophobicContact CG2-CG2 4.26Å; T262-V264 PolarHBondContact O-N 3.32Å; V264-T266 HydrophobicContact CG1-CG2 4.18Å; V264-T266 PolarHBondContact O-N 2.86Å | ||
| 265 | A | 23.5 | Very low | 27.9 | Very low | 83 Ų | 83 | 101.4 Ų | 101.4 | 69% | 0.686 | 67% | 0.665 | S | S | * | * | trans | -65.3 | 101.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | T263 T267 | T263-A265 PolarHBondContact O-N 3.3Å; T263-A265 VanDerWaalsContact O-N 3.1Å; A265-T267 PolarHBondContact O-N 3.37Å | ||
| 266 | T | 25.9 | Very low | 28.4 | Very low | 126 Ų | 126 | 102.6 Ų | 102.6 | 77% | 0.773 | 66% | 0.656 | S | S | * | * | trans | -82.3 | 92.4 | 169.8 | 33.8 | 0 | 0 | 0 | 0 | 107.8 | V264 A268 | V264-T266 HydrophobicContact CG1-CG2 4.18Å; V264-T266 PolarHBondContact O-N 2.86Å; T266-A268 PolarHBondContact O-N 2.99Å | ||
| 267 | T | 28.1 | Very low | 28.9 | Very low | 130 Ų | 130 | 102.1 Ų | 102.1 | 80% | 0.798 | 64% | 0.639 | S | S | * | * | trans | -67.7 | 108.4 | 164.7 | 47.4 | 0 | 0 | 0 | 0 | 107.5 | A265 A269 | A265-T267 PolarHBondContact O-N 3.37Å; T267-A269 PolarHBondContact O-N 3.5Å | ||
| 268 | A | 31.2 | Very low | 29.6 | Very low | 100 Ų | 100 | 101.4 Ų | 101.4 | 83% | 0.826 | 63% | 0.632 | S | S | * | * | trans | -68 | 100.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | T266 | T266-A268 PolarHBondContact O-N 2.99Š| ||
| 269 | A | 31.4 | Very low | 30.1 | Very low | 75 Ų | 75 | 102.8 Ų | 102.8 | 62% | 0.62 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 138.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | T267 L271 | T267-A269 PolarHBondContact O-N 3.5Å; A269-L271 PolarHBondContact O-N 3.27Å |
| 270 | P | 30.6 | Very low | 30.5 | Very low | 110 Ų | 110 | 100.4 Ų | 100.4 | 71% | 0.714 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 123 | 177.7 | 26.3 | -32.5 | 0 | 0 | 0 | 110 | ||
| 271 | L | 32.4 | Very low | 30.8 | Very low | 99 Ų | 99 | 99.2 Ų | 99.2 | 52% | 0.518 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -79.1 | 125 | 169.1 | -68.5 | 178.8 | 0 | 0 | 0 | 109.2 | A269 | A269-L271 PolarHBondContact O-N 3.27Š|
| 272 | Q | 30.7 | Very low | 31 | Very low | 55 Ų | 55 | 100.3 Ų | 100.3 | 26% | 0.257 | 63% | 0.634 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.2 | 135.3 | 170.1 | -88.3 | -92.1 | 12.8 | 0 | 0 | 109.3 | Q297 Q326 V327 | Q272-Q297 PolarHBondContact O-N 3.4Å; Q272-Q326 VanDerWaalsContact NE2-CG 3.35Å; Q272-V327 PolarHBondContact OE1-O 3.05Å; Q272-V327 VanDerWaalsContact OE1-O 3.06Å |
| 273 | Y | 32.5 | Very low | 31.3 | Very low | 113 Ų | 113 | 97.3 Ų | 97.3 | 44% | 0.443 | 63% | 0.631 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109 | 125.7 | 174.4 | -66.9 | -69.7 | 0 | 0 | 0 | 109.3 | V294 | Y273-V294 HydrophobicContact CD1-CG1 3.23Å; Y273-V294 HydrophobicContact CE1-CG1 3.94Å; Y273-V294 HydrophobicContact CG-CG1 3.85Å |
| 274 | V | 34.4 | Very low | 31.7 | Very low | 48 Ų | 48 | 96 Ų | 96 | 29% | 0.291 | 63% | 0.632 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.6 | 120.8 | 173.1 | -179.1 | 0 | 0 | 0 | 0 | 108.3 | ||
| 275 | L | 36.6 | Very low | 32 | Very low | 61 Ų | 61 | 95 Ų | 95 | 32% | 0.319 | 63% | 0.63 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95 | 111.8 | 171.9 | -108 | 67.8 | 0 | 0 | 0 | 109.3 | I292 V294 | L275-I292 HydrophobicContact CG-CG2 4.05Å; L275-V294 HydrophobicContact CD1-CG2 4.33Å |
| 276 | Q | 33.1 | Very low | 32.3 | Very low | 112 Ų | 112 | 96.4 Ų | 96.4 | 52% | 0.523 | 64% | 0.642 | S | S | . | * | trans | -101.1 | 111.3 | 176.2 | -166.1 | 138.2 | -14.9 | 0 | 0 | 109.8 | ||||
| 277 | L | 36.3 | Very low | 32.7 | Very low | 86 Ų | 86 | 94.1 Ų | 94.1 | 45% | 0.45 | 64% | 0.643 | S | S | . | * | trans | -90.3 | 136.3 | 174.5 | -67.8 | 95.5 | 0 | 0 | 0 | 110.1 | V279 | L277-V279 PolarHBondContact O-N 3.22Š| ||
| 278 | P | 37.3 | Very low | 32.8 | Very low | 95 Ų | 95 | 95.1 Ų | 95.1 | 62% | 0.617 | 64% | 0.639 | S | S | * | * | trans | -70.6 | 120.7 | 173.8 | 26.9 | -30.9 | 0 | 0 | 0 | 110.4 | G280 F290 | P278-G280 PolarHBondContact O-N 2.9Å; P278-F290 HydrophobicContact CG-CD2 4.45Å | ||
| 279 | V | 37 | Very low | 32.8 | Very low | 126 Ų | 126 | 96 Ų | 96 | 76% | 0.764 | 64% | 0.636 | S | S | * | * | trans | -82.7 | 94.5 | 167.1 | 173.9 | 0 | 0 | 0 | 0 | 107.4 | L277 | L277-V279 PolarHBondContact O-N 3.22Š| ||
| 280 | G | 36.8 | Very low | 33.1 | Very low | 65 Ų | 65 | 98 Ų | 98 | 67% | 0.67 | 63% | 0.631 | S | S | * | * | trans | -82.6 | 117.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | P278 | P278-G280 PolarHBondContact O-N 2.9Š| ||
| 281 | T | 32.2 | Very low | 33.4 | Very low | 138 Ų | 138 | 101.6 Ų | 101.6 | 85% | 0.847 | 64% | 0.639 | S | S | * | * | trans | -54.7 | 135.4 | 161.4 | 36.9 | 0 | 0 | 0 | 0 | 109.6 | G283 | T281-G283 PolarHBondContact O-N 2.98Š| ||
| 282 | A | 28.8 | Very low | 33.5 | Very low | 111 Ų | 111 | 100.9 Ų | 100.9 | 92% | 0.917 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -14.2 | 113.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 283 | G | 31.3 | Very low | 33.7 | Very low | 74 Ų | 74 | 104.5 Ų | 104.5 | 76% | 0.763 | 65% | 0.651 | S | S | * | * | trans | 158.7 | -16.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 118 | T281 S285 | T281-G283 PolarHBondContact O-N 2.98Å; G283-S285 PolarHBondContact O-N 2.66Å | ||
| 284 | A | 31.4 | Very low | 33.7 | Very low | 99 Ų | 99 | 102.3 Ų | 102.3 | 82% | 0.818 | 65% | 0.65 | S | S | * | * | trans | -82.7 | 103.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A286 | A284-A286 PolarHBondContact O-N 3.47Š| ||
| 285 | S | 30.6 | Very low | 33.9 | Very low | 89 Ų | 89 | 104.8 Ų | 104.8 | 62% | 0.622 | 66% | 0.66 | S | S | * | * | trans | -42.1 | 126.4 | 166.7 | 45 | 0 | 0 | 0 | 0 | 112.3 | G283 G287 | G283-S285 PolarHBondContact O-N 2.66Å; S285-G287 PolarHBondContact O-N 3.42Å | ||
| 286 | A | 30.5 | Very low | 33.8 | Very low | 112 Ų | 112 | 105.6 Ų | 105.6 | 93% | 0.926 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.9 | 121.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | A284 | A284-A286 PolarHBondContact O-N 3.47Š|
| 287 | G | 32.5 | Very low | 34 | Very low | 78 Ų | 78 | 104.7 Ų | 104.7 | 80% | 0.804 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 127 | -1.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | S285 | S285-G287 PolarHBondContact O-N 3.42Š|
| 288 | Q | 30.3 | Very low | 33.8 | Very low | 151 Ų | 151 | 108.2 Ų | 108.2 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | trans | -85.1 | 128.9 | 176.1 | -73.9 | -67 | -29.1 | 0 | 0 | 111.9 | F290 | Q288-F290 PolarHBondContact O-N 2.97Š| ||
| 289 | P | 31.9 | Very low | 33.5 | Very low | 118 Ų | 118 | 112.5 Ų | 112.5 | 77% | 0.766 | 69% | 0.688 | S | S | * | * | trans | -67 | 131.6 | 173.4 | 28.4 | -32.9 | 0 | 0 | 0 | 110.1 | ||||
| 290 | F | 38.2 | Very low | 33.2 | Very low | 118 Ų | 118 | 115.2 Ų | 115.2 | 52% | 0.518 | 69% | 0.693 | S | S | . | * | trans | -109.3 | 147.2 | 171.4 | 64.5 | -85.7 | 0 | 0 | 0 | 110.5 | P278 Q288 I292 | P278-F290 HydrophobicContact CG-CD2 4.45Å; Q288-F290 PolarHBondContact O-N 2.97Å; F290-I292 HydrophobicContact CD2-CG1 3.91Å; F290-I292 HydrophobicContact CE2-CD1 3.87Å; F290-I292 HydrophobicContact CE2-CG1 3.53Å; F290-I292 HydrophobicContact CZ-CD1 4.42Å | ||
| 291 | Q | 35.9 | Very low | 32.7 | Very low | 186 Ų | 186 | 116.9 Ų | 116.9 | 87% | 0.869 | 70% | 0.7 | S | S | * | * | trans | -85.1 | 129.3 | 177.9 | -62.6 | -81.7 | -30.2 | 0 | 0 | 108.9 | ||||
| 292 | I | 34.4 | Very low | 32.5 | Very low | 83 Ų | 83 | 114.7 Ų | 114.7 | 43% | 0.426 | 70% | 0.696 | S | S | . | * | trans | -98.6 | 114.9 | 173.7 | -62 | 171.1 | 0 | 0 | 0 | 107.7 | L275 F290 V294 | L275-I292 HydrophobicContact CG-CG2 4.05Å; F290-I292 HydrophobicContact CD2-CG1 3.91Å; F290-I292 HydrophobicContact CE2-CD1 3.87Å; F290-I292 HydrophobicContact CE2-CG1 3.53Å; F290-I292 HydrophobicContact CZ-CD1 4.42Å; I292-V294 HydrophobicContact CG2-CG2 4.07Å | ||
| 293 | Q | 34.9 | Very low | 32.3 | Very low | 131 Ų | 131 | 117 Ų | 117 | 61% | 0.612 | 69% | 0.693 | S | S | * | * | trans | -83.2 | 114.8 | 172.2 | -166.5 | 88.4 | 26.7 | 0 | 0 | 108.6 | ||||
| 294 | V | 33.6 | Very low | 32.3 | Very low | 68 Ų | 68 | 120.1 Ų | 120.1 | 41% | 0.412 | 70% | 0.697 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.5 | 114.3 | 174.9 | -174.3 | 0 | 0 | 0 | 0 | 108.3 | Y273 L275 I292 | Y273-V294 HydrophobicContact CD1-CG1 3.23Å; Y273-V294 HydrophobicContact CE1-CG1 3.94Å; Y273-V294 HydrophobicContact CG-CG1 3.85Å; L275-V294 HydrophobicContact CD1-CG2 4.33Å; I292-V294 HydrophobicContact CG2-CG2 4.07Å |
| 295 | L | 37.5 | Very low | 32 | Very low | 99 Ų | 99 | 122.8 Ų | 122.8 | 52% | 0.518 | 70% | 0.698 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.6 | 122.2 | 179.9 | -165.2 | 67.2 | 0 | 0 | 0 | 110.4 | Q297 | L295-Q297 PolarHBondContact O-N 2.8Å |
| 296 | P | 35.5 | Very low | 31.7 | Very low | 79 Ų | 79 | 122.9 Ų | 122.9 | 51% | 0.513 | 70% | 0.704 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -71.5 | 119.5 | 175 | -11.6 | 26.1 | 0 | 0 | 0 | 110.4 | ||
| 297 | Q | 36.4 | Very low | 31.5 | Very low | 93 Ų | 93 | 124.6 Ų | 124.6 | 44% | 0.435 | 70% | 0.703 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.5 | 123.4 | 172.2 | -74.5 | -77.8 | -12.8 | 0 | 0 | 109.3 | Q272 L295 | Q272-Q297 PolarHBondContact O-N 3.4Å; L295-Q297 PolarHBondContact O-N 2.8Å |
| 298 | H | 32.7 | Very low | 31.1 | Very low | 160 Ų | 160 | 126 Ų | 126 | 74% | 0.741 | 70% | 0.7 | S | S | * | * | trans | -93.4 | 105.9 | 173.8 | 43.8 | -87.7 | 0 | 0 | 0 | 108.5 | ||||
| 299 | F | 31.2 | Very low | 30.9 | Very low | 184 Ų | 184 | 124.1 Ų | 124.1 | 81% | 0.807 | 71% | 0.71 | S | S | * | * | trans | -93.5 | 116.7 | 173.9 | -130.2 | -92.1 | 0 | 0 | 0 | 109.8 | A301 | F299-A301 PolarHBondContact O-N 2.73Š| ||
| 300 | Q | 29.6 | Very low | 30.5 | Very low | 184 Ų | 184 | 121.7 Ų | 121.7 | 86% | 0.86 | 71% | 0.707 | S | S | * | * | trans | -79.7 | 109.1 | 178.1 | -155.3 | 171.2 | 31.3 | 0 | 0 | 108.1 | A302 | Q300-A302 PolarHBondContact O-N 3.1Å; Q300-A302 VanDerWaalsContact O-N 3.09Å | ||
| 301 | A | 27.8 | Very low | 29.8 | Very low | 99 Ų | 99 | 125.5 Ų | 125.5 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | trans | -71.1 | 103 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | F299 | F299-A301 PolarHBondContact O-N 2.73Š| ||
| 302 | A | 28.4 | Very low | 29.3 | Very low | 92 Ų | 92 | 121.7 Ų | 121.7 | 76% | 0.76 | 73% | 0.726 | S | S | * | * | trans | -94.5 | 129.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q300 T304 | Q300-A302 PolarHBondContact O-N 3.1Å; Q300-A302 VanDerWaalsContact O-N 3.09Å; A302-T304 PolarHBondContact O-N 3.45Å | ||
| 303 | N | 24.7 | Very low | 29 | Very low | 161 Ų | 161 | 121.1 Ų | 121.1 | 86% | 0.861 | 74% | 0.741 | S | S | * | * | trans | -60.4 | 124 | -179 | -50.3 | -59.4 | 0 | 0 | 0 | 111.7 | ||||
| 304 | T | 31.1 | Very low | 28.6 | Very low | 139 Ų | 139 | 119 Ų | 119 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | trans | -157.6 | 121.6 | 147.6 | -25.4 | 0 | 0 | 0 | 0 | 112.1 | A302 | A302-T304 PolarHBondContact O-N 3.45Š| ||
| 305 | D | 23.3 | Very low | 28.3 | Very low | 155 Ų | 155 | 123.7 Ų | 123.7 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | trans | -52.4 | 159.1 | 158 | -85.1 | -75.4 | 0 | 0 | 0 | 113.1 | ||||
| 306 | A | 25.1 | Very low | 27.7 | Very low | 91 Ų | 91 | 127 Ų | 127 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | 76.5 | 114.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 307 | V | 26.1 | Very low | 27.3 | Very low | 148 Ų | 148 | 126.8 Ų | 126.8 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | -177.9 | 137.4 | 114.6 | 154.5 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 308 | S | 24.9 | Very low | 26.8 | Very low | 107 Ų | 107 | 130 Ų | 130 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | trans | -54.4 | 160.4 | -176 | -61 | 0 | 0 | 0 | 0 | 116.8 | G310 | S308-G310 PolarHBondContact O-N 3.16Š| ||
| 309 | A | 25.9 | Very low | 26.8 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -37 | 123.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 310 | G | 23.3 | Very low | 26.7 | Very low | 67 Ų | 67 | 124.3 Ų | 124.3 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | trans | 136.7 | 112.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S308 | S308-G310 PolarHBondContact O-N 3.16Š| ||
| 311 | Q | 24.6 | Very low | 27.1 | Very low | 198 Ų | 198 | 122.4 Ų | 122.4 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | trans | 67.1 | 154.2 | 167.9 | -73.1 | -174.5 | -27.9 | 0 | 0 | 118.7 | ||||
| 312 | A | 24.8 | Very low | 27.2 | Very low | 106 Ų | 106 | 122.6 Ų | 122.6 | 88% | 0.876 | 80% | 0.801 | S | S | * | * | trans | 85.2 | 137.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 313 | G | 27.9 | Very low | 27.5 | Very low | 71 Ų | 71 | 122.4 Ų | 122.4 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | cis | -131.6 | 106.7 | 23.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 314 | A | 25.7 | Very low | 27.9 | Very low | 88 Ų | 88 | 121.1 Ų | 121.1 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -79.5 | 111.5 | 143.2 | 0 | 0 | 0 | 0 | 0 | 106.2 | L316 | A314-L316 PolarHBondContact O-N 3.44Š| ||
| 315 | I | 27.2 | Very low | 28.1 | Very low | 165 Ų | 165 | 116.8 Ų | 116.8 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | trans | -73.9 | 99.2 | 167.2 | -62.5 | -173.4 | 0 | 0 | 0 | 106.1 | A317 | I315-A317 PolarHBondContact O-N 3.01Š| ||
| 316 | L | 25.1 | Very low | 28.5 | Very low | 170 Ų | 170 | 115.9 Ų | 115.9 | 89% | 0.89 | 75% | 0.749 | S | S | * | * | trans | -69.9 | 101.1 | 168.6 | -71.7 | 162.3 | 0 | 0 | 0 | 108.1 | A314 | A314-L316 PolarHBondContact O-N 3.44Š| ||
| 317 | A | 27.2 | Very low | 28.9 | Very low | 74 Ų | 74 | 115.3 Ų | 115.3 | 61% | 0.612 | 74% | 0.736 | S | S | * | * | trans | -146.5 | 113.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | I315 | I315-A317 PolarHBondContact O-N 3.01Š| ||
| 318 | D | 26.5 | Very low | 29.2 | Very low | 159 Ų | 159 | 112 Ų | 112 | 85% | 0.85 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 45.3 | 91.5 | 167.5 | -63.4 | -26.5 | 0 | 0 | 0 | 118.3 | N320 | D318-N320 PolarHBondContact O-N 3.28Š|
| 319 | G | 31.6 | Very low | 29.7 | Very low | 87 Ų | 87 | 112 Ų | 112 | 90% | 0.897 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 67.4 | -13.1 | 141.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||
| 320 | N | 30.7 | Very low | 30 | Very low | 139 Ų | 139 | 113.7 Ų | 113.7 | 74% | 0.743 | 71% | 0.705 | S | S | * | * | trans | -127.5 | 102.9 | -175 | -98.9 | 44.1 | 0 | 0 | 0 | 111 | D318 L322 | D318-N320 PolarHBondContact O-N 3.28Å; N320-L322 PolarHBondContact O-N 2.87Å; N320-L322 VanDerWaalsContact O-N 3.09Å | ||
| 321 | T | 36.6 | Very low | 30.4 | Very low | 143 Ų | 143 | 117.1 Ų | 117.1 | 88% | 0.877 | 72% | 0.715 | S | S | * | * | trans | -68.7 | 104.2 | 172.4 | 48 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 322 | L | 31.7 | Very low | 30.8 | Very low | 103 Ų | 103 | 111.7 Ų | 111.7 | 54% | 0.539 | 71% | 0.712 | S | S | . | * | trans | -90.5 | 126.9 | 169.1 | -67.3 | 173.3 | 0 | 0 | 0 | 109.4 | N320 L324 | N320-L322 PolarHBondContact O-N 2.87Å; N320-L322 VanDerWaalsContact O-N 3.09Å; L322-L324 PolarHBondContact O-N 3.02Å | ||
| 323 | P | 34 | Very low | 31.2 | Very low | 88 Ų | 88 | 109.6 Ų | 109.6 | 57% | 0.571 | 70% | 0.701 | S | S | * | * | trans | -69.2 | 118.3 | 170 | 27.4 | -31.2 | 0 | 0 | 0 | 109.5 | ||||
| 324 | L | 32.6 | Very low | 31.3 | Very low | 134 Ų | 134 | 114.2 Ų | 114.2 | 70% | 0.702 | 71% | 0.706 | S | S | * | * | trans | -83.5 | 112.9 | 172.9 | -170.4 | 78.1 | 0 | 0 | 0 | 109.2 | L322 | L322-L324 PolarHBondContact O-N 3.02Š| ||
| 325 | V | 34.9 | Very low | 31.6 | Very low | 49 Ų | 49 | 114 Ų | 114 | 30% | 0.297 | 71% | 0.705 | S | S | . | * | trans | -91.4 | 106.8 | 170.6 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | V327 | V325-V327 HydrophobicContact CG1-CG2 3.92Š| ||
| 326 | Q | 32.1 | Very low | 31.8 | Very low | 136 Ų | 136 | 111.2 Ų | 111.2 | 64% | 0.636 | 70% | 0.695 | S | S | * | * | trans | -89.7 | 110.7 | 173.8 | -171.9 | 171.6 | -46 | 0 | 0 | 109.5 | Q272 V328 | Q272-Q326 VanDerWaalsContact NE2-CG 3.35Å; Q326-V328 HydrophobicContact CG-CG2 4.23Å | ||
| 327 | V | 33.8 | Very low | 32.3 | Very low | 79 Ų | 79 | 105.7 Ų | 105.7 | 48% | 0.479 | 67% | 0.669 | S | S | . | * | trans | -101.5 | 105.5 | 176.2 | -176.4 | 0 | 0 | 0 | 0 | 108.6 | Q272 V325 | Q272-V327 PolarHBondContact OE1-O 3.05Å; Q272-V327 VanDerWaalsContact OE1-O 3.06Å; V325-V327 HydrophobicContact CG1-CG2 3.92Å | ||
| 328 | V | 32 | Very low | 32.5 | Very low | 78 Ų | 78 | 109.4 Ų | 109.4 | 47% | 0.473 | 68% | 0.677 | S | S | . | * | trans | -91.6 | 113.7 | 174.4 | 176.4 | 0 | 0 | 0 | 0 | 108.9 | Q326 Q330 | Q326-V328 HydrophobicContact CG-CG2 4.23Å; V328-Q330 HydrophobicContact CG1-CG 4.08Å | ||
| 329 | S | 35.4 | Very low | 33 | Very low | 106 Ų | 106 | 106.1 Ų | 106.1 | 74% | 0.741 | 66% | 0.659 | S | S | * | * | trans | -82.4 | 112.3 | 170.8 | -176 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 330 | Q | 32.6 | Very low | 33 | Very low | 148 Ų | 148 | 110.7 Ų | 110.7 | 69% | 0.692 | 66% | 0.657 | S | S | * | * | trans | -104.3 | 145.7 | 169.2 | -70.6 | -164.4 | 10.4 | 0 | 0 | 110.8 | V328 G332 | V328-Q330 HydrophobicContact CG1-CG 4.08Å; Q330-G332 PolarHBondContact O-N 3.19Å | ||
| 331 | P | 31.1 | Very low | 33.1 | Very low | 139 Ų | 139 | 111.9 Ų | 111.9 | 90% | 0.903 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 99.3 | 176.5 | 30.4 | -29.9 | 0 | 0 | 0 | 108.5 | ||
| 332 | G | 33.5 | Very low | 33 | Very low | 84 Ų | 84 | 110.6 Ų | 110.6 | 87% | 0.866 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 133.4 | 16.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | Q330 | Q330-G332 PolarHBondContact O-N 3.19Š|
| 333 | G | 34 | Very low | 33.1 | Very low | 62 Ų | 62 | 108.5 Ų | 108.5 | 64% | 0.639 | 67% | 0.665 | S | S | * | * | S | Bend | trans | 158 | 154.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 334 | I | 28.5 | Very low | 33 | Very low | 167 Ų | 167 | 107.7 Ų | 107.7 | 86% | 0.856 | 67% | 0.673 | S | S | * | * | trans | -59.6 | 129.8 | -167.7 | -58.5 | 173.9 | 0 | 0 | 0 | 112.7 | ||||
| 335 | A | 33.4 | Very low | 33 | Very low | 83 Ų | 83 | 107.7 Ų | 107.7 | 69% | 0.686 | 68% | 0.684 | S | S | * | * | trans | -107.3 | 121.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 336 | V | 30.5 | Very low | 32.8 | Very low | 107 Ų | 107 | 114.9 Ų | 114.9 | 65% | 0.648 | 71% | 0.706 | S | S | * | * | trans | -80.8 | 126.3 | 177 | 178.6 | 0 | 0 | 0 | 0 | 109 | I338 | V336-I338 PolarHBondContact O-N 3.22Š| ||
| 337 | P | 35.7 | Very low | 32.9 | Very low | 54 Ų | 54 | 114 Ų | 114 | 35% | 0.351 | 71% | 0.71 | S | S | . | * | trans | -76.5 | 117.6 | 172.4 | 29 | -30.4 | 0 | 0 | 0 | 110.1 | ||||
| 338 | I | 31.1 | Very low | 32.8 | Very low | 152 Ų | 152 | 115.5 Ų | 115.5 | 78% | 0.779 | 71% | 0.712 | S | S | * | * | trans | -90.5 | 114.3 | 164.1 | -61.2 | 174.4 | 0 | 0 | 0 | 106.9 | V336 | V336-I338 PolarHBondContact O-N 3.22Š| ||
| 339 | I | 36.8 | Very low | 32.9 | Very low | 91 Ų | 91 | 118.4 Ų | 118.4 | 47% | 0.467 | 72% | 0.723 | S | S | . | * | trans | -97.2 | 115.7 | 171.5 | -56.3 | 173.9 | 0 | 0 | 0 | 107.2 | L350 | I339-L350 HydrophobicContact CD1-CD1 4.5Š| ||
| 340 | Q | 31.7 | Very low | 32.6 | Very low | 183 Ų | 183 | 118 Ų | 118 | 86% | 0.855 | 71% | 0.713 | S | S | * | * | trans | -111.3 | 98.8 | 171.1 | -168.2 | 159.9 | 10.3 | 0 | 0 | 108.3 | ||||
| 341 | E | 32.7 | Very low | 32.6 | Very low | 164 Ų | 164 | 119 Ų | 119 | 77% | 0.766 | 72% | 0.717 | S | S | * | * | trans | -81.6 | 137 | 170.7 | -100.7 | -144.9 | 139.8 | 0 | 0 | 110.9 | G343 | E341-G343 VanDerWaalsContact C-N 3.3Å; E341-G343 PolarHBondContact O-N 3.13Å | ||
| 342 | A | 34.6 | Very low | 32.6 | Very low | 116 Ų | 116 | 119.2 Ų | 119.2 | 96% | 0.959 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -75.5 | 80 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 343 | G | 33.5 | Very low | 32.4 | Very low | 59 Ų | 59 | 122.9 Ų | 122.9 | 61% | 0.608 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 143.3 | 97.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | E341 | E341-G343 VanDerWaalsContact C-N 3.3Å; E341-G343 PolarHBondContact O-N 3.13Å |
| 344 | G | 32.4 | Very low | 32.4 | Very low | 71 Ų | 71 | 127.4 Ų | 127.4 | 73% | 0.732 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 77.1 | 98.6 | 154.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | R346 | G344-R346 PolarHBondContact O-N 3.36Š|
| 345 | S | 32.6 | Very low | 32.8 | Very low | 134 Ų | 134 | 124.8 Ų | 124.8 | 94% | 0.937 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 61.6 | 26.4 | 137.5 | -59.5 | 0 | 0 | 0 | 0 | 122.9 | ||
| 346 | R | 31 | Very low | 32.8 | Very low | 199 Ų | 199 | 128.1 Ų | 128.1 | 75% | 0.751 | 71% | 0.706 | S | S | * | * | trans | -151.3 | 104.9 | 166.1 | -151.1 | 170.9 | 163 | -134.5 | -6.6 | 115.4 | G344 | G344-R346 PolarHBondContact O-N 3.36Š| ||
| 347 | T | 34.2 | Very low | 33.2 | Very low | 118 Ų | 118 | 128.5 Ų | 128.5 | 72% | 0.724 | 71% | 0.713 | S | S | * | * | trans | -82 | 123.4 | 167.9 | -31.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 348 | Q | 31.9 | Very low | 33.1 | Very low | 110 Ų | 110 | 131.4 Ų | 131.4 | 51% | 0.514 | 73% | 0.73 | S | S | . | * | trans | -110 | 120.5 | 167.8 | -70.8 | -166.5 | 61.9 | 0 | 0 | 109.1 | ||||
| 349 | I | 32.8 | Very low | 33.4 | Very low | 140 Ų | 140 | 128.3 Ų | 128.3 | 72% | 0.718 | 73% | 0.728 | S | S | * | * | trans | -90.2 | 111.7 | 174.8 | -58.1 | 172.7 | 0 | 0 | 0 | 106.8 | Q351 | I349-Q351 PolarHBondContact O-N 2.86Š| ||
| 350 | L | 30.8 | Very low | 33.1 | Very low | 98 Ų | 98 | 128 Ų | 128 | 51% | 0.513 | 75% | 0.747 | S | S | . | * | trans | -84.9 | 106.9 | 166 | -83.6 | 94.3 | 0 | 0 | 0 | 108.7 | I339 L352 | I339-L350 HydrophobicContact CD1-CD1 4.5Å; L350-L352 PolarHBondContact O-N 3.42Å | ||
| 351 | Q | 31.3 | Very low | 33.2 | Very low | 168 Ų | 168 | 126.1 Ų | 126.1 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | trans | -84.1 | 99.6 | 171.7 | -164.5 | 177.1 | 69.9 | 0 | 0 | 108.7 | I349 Q353 | I349-Q351 PolarHBondContact O-N 2.86Å; Q351-Q353 PolarHBondContact O-N 3Å | ||
| 352 | L | 30.8 | Very low | 33.3 | Very low | 143 Ų | 143 | 122.4 Ų | 122.4 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | trans | -82.4 | 95.3 | 171.8 | -76.2 | 146.8 | 0 | 0 | 0 | 108.5 | L350 M354 | L350-L352 PolarHBondContact O-N 3.42Å; L352-M354 PolarHBondContact O-N 3.42Å | ||
| 353 | Q | 29.8 | Very low | 33.2 | Very low | 161 Ų | 161 | 124.5 Ų | 124.5 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | trans | -77.5 | 100 | 173.1 | -172.9 | 87.7 | -4.7 | 0 | 0 | 108.9 | Q351 | Q351-Q353 PolarHBondContact O-N 3Š| ||
| 354 | M | 33.8 | Very low | 33.1 | Very low | 157 Ų | 157 | 125.9 Ų | 125.9 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | trans | -73.5 | 140.6 | 168.7 | -80.3 | -84.1 | -79.2 | 0 | 0 | 110 | L352 E356 | L352-M354 PolarHBondContact O-N 3.42Å; M354-E356 PolarHBondContact O-N 3.16Å | ||
| 355 | P | 37.8 | Very low | 33 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | trans | -67.3 | 113.9 | 169.4 | 27.6 | -30.4 | 0 | 0 | 0 | 108.8 | S357 | P355-S357 PolarHBondContact O-N 3.17Š| ||
| 356 | E | 32.7 | Very low | 33.1 | Very low | 154 Ų | 154 | 122.1 Ų | 122.1 | 72% | 0.72 | 71% | 0.711 | S | S | * | * | trans | -67.5 | 96.1 | 177.3 | -158.7 | -160.5 | 135.7 | 0 | 0 | 109.1 | K37 M354 | K37-E356 IonicContact NZ-OE1 2.74Å; K37-E356 PolarHBondContact NZ-OE1 3Å; K37-E356 IonicContact NZ-OE2 2.82Å; K37-E356 PolarHBondContact NZ-OE2 2.85Å; M354-E356 PolarHBondContact O-N 3.16Å | ||
| 357 | S | 38.9 | Very low | 33.4 | Very low | 114 Ų | 114 | 122.1 Ų | 122.1 | 80% | 0.797 | 74% | 0.739 | S | S | * | * | trans | -105.1 | 94.8 | 171.1 | -178.5 | 0 | 0 | 0 | 0 | 110.1 | P355 | P355-S357 PolarHBondContact O-N 3.17Š| ||
| 358 | T | 34 | Very low | 33.3 | Very low | 116 Ų | 116 | 122.4 Ų | 122.4 | 71% | 0.712 | 74% | 0.74 | S | S | * | * | trans | -6.6 | 127.8 | 150.9 | -43.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 359 | A | 37.9 | Very low | 33.4 | Very low | 87 Ų | 87 | 123 Ų | 123 | 72% | 0.719 | 75% | 0.752 | S | S | * | * | 175 | 88.7 | 126.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V361 | A359-V361 PolarHBondContact O-N 3.14Š| |||
| 360 | G | 30.4 | Very low | 33.4 | Very low | 84 Ų | 84 | 122.1 Ų | 122.1 | 87% | 0.866 | 75% | 0.754 | S | S | * | * | trans | -70.2 | 116.9 | 152.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 361 | V | 34.1 | Very low | 33.6 | Very low | 143 Ų | 143 | 123.5 Ų | 123.5 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | trans | -106.9 | 131.2 | 155.6 | 170.3 | 0 | 0 | 0 | 0 | 107.7 | A359 | A359-V361 PolarHBondContact O-N 3.14Š| ||
| 362 | S | 33.1 | Very low | 33.7 | Very low | 87 Ų | 87 | 120.7 Ų | 120.7 | 61% | 0.608 | 77% | 0.767 | S | S | * | * | trans | -79.7 | 145.1 | -166.3 | -156.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 363 | I | 32.6 | Very low | 33.9 | Very low | 159 Ų | 159 | 119.2 Ų | 119.2 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | trans | 49.4 | 118.1 | 141.4 | 65.1 | -165.9 | 0 | 0 | 0 | 122.2 | ||||
| 364 | A | 31.6 | Very low | 34.2 | Very low | 89 Ų | 89 | 116.2 Ų | 116.2 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | -156.1 | 116.8 | 139.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 365 | S | 31.1 | Very low | 34.2 | Very low | 64 Ų | 64 | 113.1 Ų | 113.1 | 45% | 0.448 | 77% | 0.769 | S | S | . | * | trans | 85.9 | 120.1 | 146.6 | -60.5 | 0 | 0 | 0 | 0 | 122.7 | S245 S246 | S245-S365 VanDerWaalsContact C-OG 3.31Å; S246-S365 WeakPolarHBondContact CA-OG 3.48Å; S246-S365 PolarHBondContact N-OG 3.1Å; S246-S365 WeakPolarHBondContact O-CB 3.42Å; S246-S365 PolarHBondContact O-OG 3.24Å | ||
| 366 | G | 35.6 | Very low | 33.9 | Very low | 61 Ų | 61 | 113.2 Ų | 113.2 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | trans | 161.9 | 36.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 367 | C | 35.4 | Very low | 34 | Very low | 200 Ų | 200 | 109.5 Ų | 109.5 | 100% | 1.351 | 78% | 0.777 | S | S | * | * | trans | -137.3 | 0 | 149.8 | -88.5 | 0 | 0 | 0 | 0 | 108.5 |
Retrieved 367 of 367 residues in 275.1 ms
(Link to these results)