| 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 | 41.9 | Very low | 33 | Very low | 243 Ų | 243 | 158.5 Ų | 158.5 | 100% | 1.197 | 85% | 0.848 | S | S | * | * | 0 | 87.1 | 0 | -74.7 | -177.4 | -80.4 | 0 | 0 | 109.2 | |||||
| 2 | K | 31.3 | Very low | 32.5 | Very low | 197 Ų | 197 | 157.1 Ų | 157.1 | 86% | 0.857 | 83% | 0.832 | S | S | * | * | trans | -150.3 | 130.1 | 171.1 | -78.3 | -169.3 | 177.2 | 177.6 | 0 | 109 | ||||
| 3 | N | 29.4 | Very low | 32.4 | Very low | 155 Ų | 155 | 158 Ų | 158 | 83% | 0.829 | 84% | 0.836 | S | S | * | * | trans | 78.4 | 94.1 | 152.2 | -57.5 | -3.4 | 0 | 0 | 0 | 119.1 | ||||
| 4 | L | 36.6 | Very low | 32.2 | Very low | 173 Ų | 173 | 156.8 Ų | 156.8 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | trans | -120.4 | 101.7 | 153.9 | -153.2 | 91 | 0 | 0 | 0 | 107.4 | ||||
| 5 | F | 33.1 | Very low | 32 | Very low | 214 Ų | 214 | 151.5 Ų | 151.5 | 94% | 0.939 | 82% | 0.824 | S | S | * | * | trans | -153.3 | 112.6 | 166.2 | -93.8 | -85.7 | 0 | 0 | 0 | 103 | ||||
| 6 | G | 32.3 | Very low | 31.8 | Very low | 66 Ų | 66 | 149.3 Ų | 149.3 | 68% | 0.68 | 82% | 0.817 | S | S | * | * | 113.6 | 82.4 | 66.5 | 0 | 0 | 0 | 0 | 0 | 105.6 | |||||
| 7 | S | 31.1 | Very low | 31.8 | Very low | 132 Ų | 132 | 145.8 Ų | 145.8 | 92% | 0.923 | 80% | 0.804 | S | S | * | * | trans | -86.9 | 117.5 | 176.2 | -82.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 8 | V | 32.9 | Very low | 32 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 79% | 0.788 | 76% | 0.761 | S | S | * | * | trans | -65.2 | 138.5 | -175.8 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | L10 | V8-L10 PolarHBondContact O-N 2.95Š| ||
| 9 | V | 33.7 | Very low | 32.1 | Very low | 109 Ų | 109 | 130.7 Ų | 130.7 | 66% | 0.661 | 72% | 0.721 | S | S | * | * | trans | -45.6 | 115.9 | 168.3 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | F11 | V9-F11 HydrophobicContact CG1-CD2 3.71Å; V9-F11 HydrophobicContact CG1-CE2 3.9Å; V9-F11 HydrophobicContact CG1-CG 4.48Å; V9-F11 PolarHBondContact O-N 3.37Å | ||
| 10 | L | 29.4 | Very low | 33.7 | Very low | 151 Ų | 151 | 124.3 Ų | 124.3 | 79% | 0.791 | 69% | 0.686 | S | S | * | * | trans | -80.7 | 94.6 | 166.6 | -147.5 | 86.3 | 0 | 0 | 0 | 107.3 | V8 H12 | V8-L10 PolarHBondContact O-N 2.95Å; L10-H12 PolarHBondContact O-N 3.47Å; L10-H12 VanDerWaalsContact O-N 3.11Å | ||
| 11 | F | 31.3 | Very low | 36.3 | Very low | 174 Ų | 174 | 118.5 Ų | 118.5 | 76% | 0.763 | 65% | 0.654 | S | S | * | * | trans | -62 | 110.3 | 166.5 | -95.6 | -89.7 | 0 | 0 | 0 | 108.2 | V9 L13 | V9-F11 HydrophobicContact CG1-CD2 3.71Å; V9-F11 HydrophobicContact CG1-CE2 3.9Å; V9-F11 HydrophobicContact CG1-CG 4.48Å; V9-F11 PolarHBondContact O-N 3.37Å; F11-L13 VanDerWaalsContact C-N 3.28Å; F11-L13 PolarHBondContact O-N 3.39Å | ||
| 12 | H | 27.1 | Very low | 38.7 | Very low | 141 Ų | 141 | 107 Ų | 107 | 65% | 0.653 | 60% | 0.597 | S | S | * | * | trans | -66.7 | 92.4 | 159.7 | -87.8 | 8.4 | 0 | 0 | 0 | 108.4 | L10 M14 | L10-H12 PolarHBondContact O-N 3.47Å; L10-H12 VanDerWaalsContact O-N 3.11Å; H12-M14 PolarHBondContact O-N 2.92Å | ||
| 13 | L | 31.2 | Very low | 41.7 | Very low | 169 Ų | 169 | 99.9 Ų | 99.9 | 89% | 0.885 | 57% | 0.565 | S | S | * | * | trans | -70.4 | 77 | 153.7 | -79.8 | 159.1 | 0 | 0 | 0 | 107.6 | F11 | F11-L13 VanDerWaalsContact C-N 3.28Å; F11-L13 PolarHBondContact O-N 3.39Å | ||
| 14 | M | 29.2 | Very low | 44.8 | Very low | 141 Ų | 141 | 96.2 Ų | 96.2 | 70% | 0.695 | 55% | 0.549 | S | S | * | . | trans | -94.9 | 102.4 | 156 | -69.9 | -166.2 | -174.6 | 0 | 0 | 106.1 | H12 V16 | H12-M14 PolarHBondContact O-N 2.92Å; M14-V16 WeakPolarHBondContact O-CG2 3.41Å; M14-V16 PolarHBondContact O-N 3.5Å | ||
| 15 | G | 29.5 | Very low | 47.6 | Very low | 77 Ų | 77 | 88.1 Ų | 88.1 | 79% | 0.794 | 51% | 0.507 | S | S | * | . | trans | -59.9 | 116.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | C17 | G15-C17 PolarHBondContact O-N 3.29Š| ||
| 16 | V | 28.7 | Very low | 50.5 | Low | 117 Ų | 117 | 78.1 Ų | 78.1 | 71% | 0.709 | 46% | 0.464 | S | S | * | . | trans | -88.2 | 96.6 | 179.7 | -158.5 | 0 | 0 | 0 | 0 | 107.3 | M14 S18 | M14-V16 WeakPolarHBondContact O-CG2 3.41Å; M14-V16 PolarHBondContact O-N 3.5Å; V16-S18 PolarHBondContact O-OG 3.06Å | ||
| 17 | C | 31.2 | Very low | 53.4 | Low | 89 Ų | 89 | 77.6 Ų | 77.6 | 60% | 0.601 | 45% | 0.446 | S | S | * | . | trans | -65.4 | 147.4 | 166.2 | -73.7 | 0 | 0 | 0 | 0 | 109.9 | G15 | G15-C17 PolarHBondContact O-N 3.29Š| ||
| 18 | S | 36.1 | Very low | 56.4 | Low | 5 Ų | 5 | 73.4 Ų | 73.4 | 4% | 0.035 | 42% | 0.417 | C | S | . | . | trans | -143 | 135.2 | -159.7 | -73.4 | 0 | 0 | 0 | 0 | 108.3 | V16 R23 V151 F169 S170 D171 | V16-S18 PolarHBondContact O-OG 3.06Å; S18-R23 PolarHBondContact OG-NH1 3.47Å; S18-V151 VanDerWaalsContact C-CG1 3.42Å; S18-V151 VanDerWaalsContact CB-CG2 3.49Å; S18-V151 WeakPolarHBondContact O-CB 3.48Å; S18-V151 WeakPolarHBondContact O-CG1 3.39Å; S18-F169 CarbonylContact O-C 3.5Å; S18-F169 WeakPolarHBondContact O-CB 3.45Å; S18-S170 CarbonylContact O-C 3.6Å; S18-S170 PolarHBondContact O-N 3.49Å; S18-S170 VanDerWaalsContact O-N 3.13Å; S18-D171 WeakPolarHBondContact CB-OD1 3.46Å | ||
| 19 | S | 34 | Very low | 59.3 | Low | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 40% | 0.399 | C | S | . | . | trans | -122.7 | 176.4 | -178.4 | 80.1 | 0 | 0 | 0 | 0 | 124.2 | F21 A26 Y150 V151 F169 | S19-F21 CarbonylContact C-O 3.09Å; S19-F21 VanDerWaalsContact C-O 3.23Å; S19-F21 CarbonylContact O-C 3.32Å; S19-F21 PolarHBondContact O-N 2.9Å; S19-F21 VanDerWaalsContact O-N 3.09Å; S19-F21 WeakPolarHBondContact OG-CA 3.42Å; S19-F21 WeakPolarHBondContact OG-CB 3.33Å; S19-F21 WeakPolarHBondContact OG-CD2 3.46Å; S19-F21 PolarHBondContact OG-N 3.41Å; S19-F21 PolarHBondContact OG-O 2.87Å; S19-A26 WeakPolarHBondContact OG-CA 3.46Å; S19-A26 WeakPolarHBondContact OG-CB 3.35Å; S19-Y150 CarbonylContact O-C 3.59Å; S19-V151 VanDerWaalsContact C-N 3.29Å; S19-V151 CarbonylContact C-O 3.58Å; S19-V151 VanDerWaalsContact CA-CG2 3.46Å; S19-V151 CarbonylContact O-C 3.58Å; S19-V151 VanDerWaalsContact O-C 3.31Å; S19-V151 WeakPolarHBondContact O-CA 3.45Å; S19-V151 WeakPolarHBondContact O-CB 3.42Å; S19-V151 WeakPolarHBondContact O-CG2 3.34Å; S19-V151 PolarHBondContact O-N 2.93Å; S19-F169 VanDerWaalsContact CB-CB 3.45Å; S19-F169 VanDerWaalsContact CB-CE1 3.42Å | ||
| 20 | Q | 63.3 | Low | 62.2 | Low | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.009 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -59 | -26 | 174.3 | 164.1 | 72.7 | 18.9 | 0 | 0 | 112.7 | Y150 V151 W180 I181 P431 | Q20-Y150 VanDerWaalsContact O-CD1 3.29Å; Q20-Y150 WeakPolarHBondContact O-CD1 3.42Å; Q20-V151 WeakPolarHBondContact CA-O 3.41Å; Q20-V151 WeakPolarHBondContact CB-O 3.34Å; Q20-V151 PolarHBondContact N-O 3.35Å; Q20-W180 HydrophobicContact CB-CE3 4.37Å; Q20-W180 HydrophobicContact CB-CH2 4.33Å; Q20-W180 HydrophobicContact CB-CZ3 3.87Å; Q20-W180 HydrophobicContact CG-CE3 4.3Å; Q20-W180 HydrophobicContact CG-CH2 4.42Å; Q20-W180 HydrophobicContact CG-CZ3 3.67Å; Q20-I181 VanDerWaalsContact NE2-CG1 3.29Å; Q20-P431 HydrophobicContact CG-CG 4.43Å; Q20-P431 PolarHBondContact NE2-O 2.88Å; Q20-P431 VanDerWaalsContact NE2-O 3.16Å |
| 21 | F | 88.4 | Confident | 65.3 | Low | 3 Ų | 3 | 59.4 Ų | 59.4 | 1% | 0.013 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -72.6 | 138.1 | 164.9 | -45.1 | -80 | 0 | 0 | 0 | 108 | S19 R23 C25 W81 F85 F86 F169 L433 | S19-F21 CarbonylContact C-O 3.09Å; S19-F21 VanDerWaalsContact C-O 3.23Å; S19-F21 CarbonylContact O-C 3.32Å; S19-F21 PolarHBondContact O-N 2.9Å; S19-F21 VanDerWaalsContact O-N 3.09Å; S19-F21 WeakPolarHBondContact OG-CA 3.42Å; S19-F21 WeakPolarHBondContact OG-CB 3.33Å; S19-F21 WeakPolarHBondContact OG-CD2 3.46Å; S19-F21 PolarHBondContact OG-N 3.41Å; S19-F21 PolarHBondContact OG-O 2.87Å; F21-R23 PolarHBondContact O-N 2.95Å; F21-C25 HydrophobicContact CB-CB 4.41Å; F21-W81 AromaticContact CE1-CH2 3.54Å; F21-W81 HydrophobicContact CE1-CH2 3.54Å; F21-W81 HydrophobicContact CE1-CZ2 4.27Å; F21-W81 HydrophobicContact CE1-CZ3 4.3Å; F21-W81 AromaticContact CZ-CH2 3.98Å; F21-W81 HydrophobicContact CZ-CH2 3.98Å; F21-W81 HydrophobicContact CZ-CZ3 4.47Å; F21-F85 HydrophobicContact CE1-CB 3.94Å; F21-F85 HydrophobicContact CE1-CD1 4.21Å; F21-F85 AromaticContact CE1-CD2 3.94Å; F21-F85 HydrophobicContact CE1-CD2 3.94Å; F21-F85 AromaticContact CE1-CG 3.76Å; F21-F85 HydrophobicContact CE1-CG 3.76Å; F21-F85 AromaticContact CE2-CD1 3.85Å; F21-F85 HydrophobicContact CE2-CD1 3.85Å; F21-F85 AromaticContact CE2-CE1 3.94Å; F21-F85 HydrophobicContact CE2-CE1 3.94Å; F21-F85 HydrophobicContact CE2-CG 4.24Å; F21-F85 HydrophobicContact CE2-CZ 4.4Å; F21-F85 HydrophobicContact CZ-CB 4.09Å; F21-F85 AromaticContact CZ-CD1 3.5Å; F21-F85 HydrophobicContact CZ-CD1 3.5Å; F21-F85 VanDerWaalsContact CZ-CD1 3.5Å; F21-F85 AromaticContact CZ-CD2 3.59Å; F21-F85 HydrophobicContact CZ-CD2 3.59Å; F21-F85 AromaticContact CZ-CE1 3.74Å; F21-F85 HydrophobicContact CZ-CE1 3.74Å; F21-F85 AromaticContact CZ-CE2 3.81Å; F21-F85 HydrophobicContact CZ-CE2 3.81Å; F21-F85 AromaticContact CZ-CG 3.43Å; F21-F85 HydrophobicContact CZ-CG 3.43Å; F21-F85 VanDerWaalsContact CZ-CG 3.43Å; F21-F85 AromaticContact CZ-CZ 3.89Å; F21-F85 HydrophobicContact CZ-CZ 3.89Å; F21-F86 HydrophobicContact CB-CE2 3.94Å; F21-F86 HydrophobicContact CB-CZ 4.27Å; F21-F86 AromaticContact CD1-CD2 3.87Å; F21-F86 HydrophobicContact CD1-CD2 3.87Å; F21-F86 AromaticContact CD1-CE2 3.25Å; F21-F86 HydrophobicContact CD1-CE2 3.25Å; F21-F86 HydrophobicContact CD1-CZ 4.29Å; F21-F86 HydrophobicContact CD2-CE2 4.42Å; F21-F86 HydrophobicContact CE1-CD2 4.16Å; F21-F86 AromaticContact CE1-CE2 3.77Å; F21-F86 HydrophobicContact CE1-CE2 3.77Å; F21-F86 AromaticContact CG-CE2 3.62Å; F21-F86 HydrophobicContact CG-CE2 3.62Å; F21-F86 HydrophobicContact CG-CZ 4.27Å; F21-F169 HydrophobicContact CD2-CD1 4.41Å; F21-F169 AromaticContact CD2-CE1 3.52Å; F21-F169 HydrophobicContact CD2-CE1 3.52Å; F21-F169 AromaticContact CD2-CZ 3.89Å; F21-F169 HydrophobicContact CD2-CZ 3.89Å; F21-F169 AromaticContact CE2-CE1 3.66Å; F21-F169 HydrophobicContact CE2-CE1 3.66Å; F21-F169 HydrophobicContact CE2-CZ 4.2Å; F21-L433 HydrophobicContact CB-CD1 4.41Å; F21-L433 HydrophobicContact CD1-CD1 3.28Å; F21-L433 HydrophobicContact CE1-CD1 3.89Å; F21-L433 HydrophobicContact CG-CD1 4.33Å |
| 22 | P | 93.9 | Very high | 68.4 | Low | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | trans | -37.4 | 129.3 | 177.6 | -28.7 | 31.6 | 0 | 0 | 0 | 111.6 | P24 C25 A26 P38 F99 D149 Y150 | P22-P24 WeakPolarHBondContact O-CD 3.42Å; P22-C25 WeakPolarHBondContact O-CA 3.27Å; P22-C25 WeakPolarHBondContact O-CB 3.47Å; P22-C25 PolarHBondContact O-N 3.24Å; P22-A26 PolarHBondContact O-N 3.5Å; P22-P38 HydrophobicContact CB-CG 4.26Å; P22-F99 HydrophobicContact CB-CB 4.07Å; P22-F99 HydrophobicContact CB-CD1 4.24Å; P22-F99 HydrophobicContact CB-CD2 3.49Å; P22-F99 VanDerWaalsContact CB-CD2 3.49Å; P22-F99 HydrophobicContact CB-CE2 3.92Å; P22-F99 HydrophobicContact CB-CG 3.66Å; P22-F99 HydrophobicContact CB-CZ 4.47Å; P22-F99 HydrophobicContact CG-CB 3.33Å; P22-F99 HydrophobicContact CG-CD1 4.22Å; P22-F99 HydrophobicContact CG-CD2 3.77Å; P22-F99 HydrophobicContact CG-CG 3.51Å; P22-D149 CarbonylContact C-O 3.44Å; P22-D149 WeakPolarHBondContact CA-O 3.38Å; P22-Y150 HydrophobicContact CG-CE1 4.07Å | ||
| 23 | R | 93.6 | Very high | 71.6 | Confident | 49 Ų | 49 | 53.9 Ų | 53.9 | 19% | 0.185 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -40.1 | -42.9 | -174.3 | -78.9 | 177 | -171.5 | -93.9 | -8.4 | 113.9 | S18 F21 C25 A26 N147 P148 D149 V151 D171 | S18-R23 PolarHBondContact OG-NH1 3.47Å; F21-R23 PolarHBondContact O-N 2.95Å; R23-C25 PolarHBondContact O-N 3.43Å; R23-A26 WeakPolarHBondContact O-CB 3.28Å; R23-A26 PolarHBondContact O-N 2.82Å; R23-A26 VanDerWaalsContact O-N 3.15Å; R23-N147 PolarHBondContact NE-O 2.94Å; R23-N147 PolarHBondContact NH2-O 3.2Å; R23-P148 WeakPolarHBondContact CD-O 3.39Å; R23-P148 PolarHBondContact NE-O 3.16Å; R23-D149 PolarHBondContact N-O 2.79Å; R23-V151 HydrophobicContact CB-CG2 4.38Å; R23-V151 HydrophobicContact CG-CG2 3.2Å; R23-D171 IonicContact CZ-OD1 3.72Å; R23-D171 VanDerWaalsContact CZ-OD1 3.26Å; R23-D171 IonicContact NH1-OD1 3.17Å; R23-D171 PolarHBondContact NH1-OD1 2.89Å; R23-D171 IonicContact NH2-OD1 3.43Å; R23-D171 PolarHBondContact NH2-OD1 2.95Å |
| 24 | P | 94.4 | Very high | 74.7 | Confident | 77 Ų | 77 | 49.5 Ų | 49.5 | 50% | 0.5 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -63.8 | -20.4 | 178.5 | -24 | 36.7 | 0 | 0 | 0 | 115.5 | P22 N27 P38 | P22-P24 WeakPolarHBondContact O-CD 3.42Å; P24-N27 PolarHBondContact O-ND2 3.21Å; P24-P38 HydrophobicContact CB-CB 3.92Å; P24-P38 HydrophobicContact CB-CG 4.07Å; P24-P38 HydrophobicContact CG-CB 4.04Å; P24-P38 HydrophobicContact CG-CG 4.35Å |
| 25 | C | 94.4 | Very high | 78 | Confident | 4 Ų | 4 | 46.3 Ų | 46.3 | 3% | 0.027 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -93.5 | -12 | 177.9 | -52.6 | 0 | 0 | 0 | 0 | 113.5 | F21 P22 R23 N27 C36 P38 F86 | F21-C25 HydrophobicContact CB-CB 4.41Å; P22-C25 WeakPolarHBondContact O-CA 3.27Å; P22-C25 WeakPolarHBondContact O-CB 3.47Å; P22-C25 PolarHBondContact O-N 3.24Å; R23-C25 PolarHBondContact O-N 3.43Å; C25-N27 PolarHBondContact O-N 3.37Å; C25-C36 HydrophobicContact CB-CB 3.65Å; C25-C36 WeakPolarHBondContact CB-SG 3.44Å; C25-C36 WeakPolarHBondContact SG-CA 3.34Å; C25-C36 WeakPolarHBondContact SG-CB 3.42Å; C25-C36 CovalentContact SG-SG 2.03Å; C25-C36 PolarHBondContact SG-SG 3.29Å; C25-P38 WeakPolarHBondContact SG-CG 3.32Å; C25-F86 HydrophobicContact CB-CE1 4.2Å; C25-F86 HydrophobicContact CB-CZ 3.97Å |
| 26 | A | 93.9 | Very high | 81.2 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 3% | 0.025 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -77.6 | 42.9 | -170 | 0 | 0 | 0 | 0 | 0 | 114.7 | S19 P22 R23 F169 | S19-A26 WeakPolarHBondContact OG-CA 3.46Å; S19-A26 WeakPolarHBondContact OG-CB 3.35Å; P22-A26 PolarHBondContact O-N 3.5Å; R23-A26 WeakPolarHBondContact O-CB 3.28Å; R23-A26 PolarHBondContact O-N 2.82Å; R23-A26 VanDerWaalsContact O-N 3.15Å; A26-F169 HydrophobicContact CB-CD2 4.22Å; A26-F169 VanDerWaalsContact O-CD2 3.28Å; A26-F169 WeakPolarHBondContact O-CD2 3.33Å |
| 27 | N | 94.1 | Very high | 84.5 | Confident | 56 Ų | 56 | 38 Ų | 38 | 30% | 0.299 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -147.8 | 171.2 | -169.5 | 56.7 | 59.9 | 0 | 0 | 0 | 111.8 | P24 C25 E29 G30 L31 | P24-N27 PolarHBondContact O-ND2 3.21Å; C25-N27 PolarHBondContact O-N 3.37Å; N27-E29 PolarHBondContact O-N 2.9Å; N27-E29 WeakPolarHBondContact OD1-CA 3.38Å; N27-E29 VanDerWaalsContact OD1-CB 3.31Å; N27-E29 WeakPolarHBondContact OD1-CB 3.31Å; N27-E29 PolarHBondContact OD1-N 3.29Å; N27-E29 VanDerWaalsContact OD1-N 3.09Å; N27-G30 PolarHBondContact O-N 2.88Å; N27-G30 PolarHBondContact OD1-N 3.48Å; N27-L31 WeakPolarHBondContact O-CG 3.49Å; N27-L31 PolarHBondContact O-N 3.42Å |
| 28 | S | 94.6 | Very high | 87.6 | Confident | 44 Ų | 44 | 34.2 Ų | 34.2 | 31% | 0.308 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -56.5 | -34.9 | 178.7 | -61.4 | 0 | 0 | 0 | 0 | 113.2 | R32 G164 P167 | S28-R32 WeakPolarHBondContact O-CB 3.44Å; S28-R32 PolarHBondContact O-N 3.43Å; S28-G164 WeakPolarHBondContact CA-O 3.35Å; S28-G164 WeakPolarHBondContact CB-O 3.04Å; S28-G164 PolarHBondContact OG-O 3.2Å; S28-P167 VanDerWaalsContact OG-CD 3.31Å; S28-P167 WeakPolarHBondContact OG-CD 3.28Å; S28-P167 WeakPolarHBondContact OG-CG 3.36Å |
| 29 | E | 94.3 | Very high | 90.5 | Very high | 92 Ų | 92 | 37.9 Ų | 37.9 | 43% | 0.43 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65.7 | -49.3 | 178.7 | -169.1 | 62.9 | -146.5 | 0 | 0 | 111.2 | N27 L31 R32 T33 | N27-E29 PolarHBondContact O-N 2.9Å; N27-E29 WeakPolarHBondContact OD1-CA 3.38Å; N27-E29 VanDerWaalsContact OD1-CB 3.31Å; N27-E29 WeakPolarHBondContact OD1-CB 3.31Å; N27-E29 PolarHBondContact OD1-N 3.29Å; N27-E29 VanDerWaalsContact OD1-N 3.09Å; E29-L31 VanDerWaalsContact C-N 3.34Å; E29-L31 PolarHBondContact O-N 2.84Å; E29-R32 PolarHBondContact O-N 2.81Å; E29-R32 IonicContact OE1-CZ 2.66Å; E29-R32 IonicContact OE1-NH2 2.91Å; E29-R32 PolarHBondContact OE1-NH2 3.24Å; E29-R32 IonicContact OE2-CZ 3.35Å; E29-R32 IonicContact OE2-NH1 2.69Å; E29-R32 PolarHBondContact OE2-NH1 2.87Å; E29-R32 IonicContact OE2-NH2 3.26Å; E29-R32 PolarHBondContact OE2-NH2 3.35Å; E29-T33 HydrophobicContact CG-CG2 4.32Å; E29-T33 WeakPolarHBondContact O-CB 3.45Å; E29-T33 WeakPolarHBondContact O-CG2 3.32Å; E29-T33 PolarHBondContact O-N 2.9Å; E29-T33 PolarHBondContact O-OG1 3.33Å; E29-T33 WeakPolarHBondContact OE1-CG2 3.34Å |
| 30 | G | 93.9 | Very high | 93.5 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.8 | -43.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | N27 T33 K34 E35 F86 | N27-G30 PolarHBondContact O-N 2.88Å; N27-G30 PolarHBondContact OD1-N 3.48Å; G30-T33 PolarHBondContact O-OG1 2.87Å; G30-K34 WeakPolarHBondContact O-CA 3.34Å; G30-K34 PolarHBondContact O-N 3.46Å; G30-E35 PolarHBondContact O-N 3.48Å; G30-F86 WeakPolarHBondContact O-CE1 3.37Å |
| 31 | L | 94.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.8 | -35.5 | 178 | -69.5 | 178.9 | 0 | 0 | 0 | 113.7 | N27 E29 F85 M160 P167 F169 | N27-L31 WeakPolarHBondContact O-CG 3.49Å; N27-L31 PolarHBondContact O-N 3.42Å; E29-L31 VanDerWaalsContact C-N 3.34Å; E29-L31 PolarHBondContact O-N 2.84Å; L31-F85 HydrophobicContact CD2-CD1 4.04Å; L31-M160 HydrophobicContact CD1-CB 4.24Å; L31-M160 HydrophobicContact CD1-SD 3.66Å; L31-M160 HydrophobicContact CD2-SD 4.38Å; L31-P167 HydrophobicContact CD1-CB 4.1Å; L31-F169 HydrophobicContact CD1-CE2 3.87Å; L31-F169 HydrophobicContact CD1-CZ 4.03Å; L31-F169 HydrophobicContact CD2-CZ 4.14Å; L31-F169 HydrophobicContact CG-CE2 4.31Å; L31-F169 HydrophobicContact CG-CZ 4.31Å |
| 32 | R | 95.3 | Very high | 95.2 | Very high | 136 Ų | 136 | 51.4 Ų | 51.4 | 51% | 0.513 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -72.8 | -47.7 | 178.7 | -171.7 | 177.8 | 71.7 | -143.7 | 3.1 | 111.8 | S28 E29 K34 N163 | S28-R32 WeakPolarHBondContact O-CB 3.44Å; S28-R32 PolarHBondContact O-N 3.43Å; E29-R32 PolarHBondContact O-N 2.81Å; E29-R32 IonicContact OE1-CZ 2.66Å; E29-R32 IonicContact OE1-NH2 2.91Å; E29-R32 PolarHBondContact OE1-NH2 3.24Å; E29-R32 IonicContact OE2-CZ 3.35Å; E29-R32 IonicContact OE2-NH1 2.69Å; E29-R32 PolarHBondContact OE2-NH1 2.87Å; E29-R32 IonicContact OE2-NH2 3.26Å; E29-R32 PolarHBondContact OE2-NH2 3.35Å; R32-K34 VanDerWaalsContact C-N 3.27Å; R32-N163 WeakPolarHBondContact CA-O 3.35Å; R32-N163 VanDerWaalsContact CB-O 3.25Å; R32-N163 WeakPolarHBondContact CB-O 3.33Å; R32-N163 HydrophobicContact CG-CB 4.25Å |
| 33 | T | 95.5 | Very high | 95.3 | Very high | 63 Ų | 63 | 53 Ų | 53 | 39% | 0.387 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -76.5 | -18.9 | 180 | 58.6 | 0 | 0 | 0 | 0 | 112.3 | E29 G30 E35 | E29-T33 HydrophobicContact CG-CG2 4.32Å; E29-T33 WeakPolarHBondContact O-CB 3.45Å; E29-T33 WeakPolarHBondContact O-CG2 3.32Å; E29-T33 PolarHBondContact O-N 2.9Å; E29-T33 PolarHBondContact O-OG1 3.33Å; E29-T33 WeakPolarHBondContact OE1-CG2 3.34Å; G30-T33 PolarHBondContact O-OG1 2.87Å; T33-E35 PolarHBondContact O-N 2.88Å; T33-E35 PolarHBondContact OG1-N 3.48Å |
| 34 | K | 96.3 | Very high | 95.5 | Very high | 76 Ų | 76 | 53.3 Ų | 53.3 | 33% | 0.33 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 26.8 | -170.3 | -59.8 | -167.5 | 171.8 | -165 | 0 | 112.5 | G30 R32 F86 N87 R88 | G30-K34 WeakPolarHBondContact O-CA 3.34Å; G30-K34 PolarHBondContact O-N 3.46Å; R32-K34 VanDerWaalsContact C-N 3.27Å; K34-F86 CarbonylContact O-C 3.43Å; K34-F86 WeakPolarHBondContact O-CA 3.11Å; K34-N87 HydrophobicContact CB-CB 4.45Å; K34-N87 WeakPolarHBondContact CB-OD1 3.05Å; K34-N87 PolarHBondContact O-N 2.95Å; K34-N87 PolarHBondContact O-OD1 3.25Å; K34-R88 PolarHBondContact O-N 2.95Å; K34-R88 VanDerWaalsContact O-N 3.15Å |
| 35 | E | 97.1 | Very high | 95.6 | Very high | 74 Ų | 74 | 50.4 Ų | 50.4 | 35% | 0.346 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 124.2 | 177.7 | -174.8 | 168.8 | 108.3 | 0 | 0 | 111 | G30 T33 C37 C56 R88 | G30-E35 PolarHBondContact O-N 3.48Å; T33-E35 PolarHBondContact O-N 2.88Å; T33-E35 PolarHBondContact OG1-N 3.48Å; E35-C37 HydrophobicContact CG-CB 3.95Å; E35-C56 PolarHBondContact OE2-SG 2.9Å; E35-C56 VanDerWaalsContact OE2-SG 3.38Å; E35-R88 HydrophobicContact CB-CB 4.17Å; E35-R88 HydrophobicContact CG-CB 3.89Å; E35-R88 WeakPolarHBondContact OE2-CD 3.39Å; E35-R88 IonicContact OE2-CZ 2.69Å; E35-R88 IonicContact OE2-NE 2.62Å; E35-R88 PolarHBondContact OE2-NE 3.03Å; E35-R88 IonicContact OE2-NH2 3.69Å |
| 36 | C | 97.3 | Very high | 95.8 | Very high | 5 Ų | 5 | 52.1 Ų | 52.1 | 3% | 0.034 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 80.5 | 169.1 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | C25 F86 R88 T89 | C25-C36 HydrophobicContact CB-CB 3.65Å; C25-C36 WeakPolarHBondContact CB-SG 3.44Å; C25-C36 WeakPolarHBondContact SG-CA 3.34Å; C25-C36 WeakPolarHBondContact SG-CB 3.42Å; C25-C36 CovalentContact SG-SG 2.03Å; C25-C36 PolarHBondContact SG-SG 3.29Å; C36-F86 HydrophobicContact CB-CB 4.41Å; C36-F86 HydrophobicContact CB-CD1 3.51Å; C36-F86 HydrophobicContact CB-CD2 4.12Å; C36-F86 HydrophobicContact CB-CE1 3.71Å; C36-F86 HydrophobicContact CB-CE2 4.34Å; C36-F86 HydrophobicContact CB-CG 3.73Å; C36-F86 HydrophobicContact CB-CZ 4.14Å; C36-R88 PolarHBondContact N-O 3.17Å; C36-T89 HydrophobicContact CB-CG2 4.47Å; C36-T89 WeakPolarHBondContact O-CA 3.42Å |
| 37 | C | 97.8 | Very high | 96 | Very high | 15 Ų | 15 | 52 Ų | 52 | 10% | 0.101 | 29% | 0.293 | C | S | . | . | trans | -126.1 | 69.7 | 179 | -68.7 | 0 | 0 | 0 | 0 | 111.7 | E35 A46 C56 | E35-C37 HydrophobicContact CG-CB 3.95Å; C37-A46 HydrophobicContact CB-CB 4.49Å; C37-C56 HydrophobicContact CB-CB 3.57Å; C37-C56 WeakPolarHBondContact CB-SG 3.43Å; C37-C56 WeakPolarHBondContact SG-CA 3.39Å; C37-C56 WeakPolarHBondContact SG-CB 3.43Å; C37-C56 CovalentContact SG-SG 2.03Å; C37-C56 PolarHBondContact SG-SG 3.12Å | ||
| 38 | P | 96.8 | Very high | 96.2 | Very high | 9 Ų | 9 | 49.3 Ų | 49.3 | 6% | 0.058 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 152.3 | -174.9 | -24.9 | 38 | 0 | 0 | 0 | 112.8 | P22 P24 C25 C47 F99 N100 | P22-P38 HydrophobicContact CB-CG 4.26Å; P24-P38 HydrophobicContact CB-CB 3.92Å; P24-P38 HydrophobicContact CB-CG 4.07Å; P24-P38 HydrophobicContact CG-CB 4.04Å; P24-P38 HydrophobicContact CG-CG 4.35Å; C25-P38 WeakPolarHBondContact SG-CG 3.32Å; P38-C47 PolarHBondContact O-N 3.24Å; P38-F99 HydrophobicContact CB-CD2 4.13Å; P38-F99 HydrophobicContact CB-CE2 4.02Å; P38-F99 HydrophobicContact CG-CD2 3.8Å; P38-F99 HydrophobicContact CG-CE2 4.08Å; P38-N100 HydrophobicContact CB-CB 4.14Å |
| 39 | V | 97.1 | Very high | 96.3 | Very high | 82 Ų | 82 | 48.9 Ų | 48.9 | 50% | 0.497 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 137.8 | 172.9 | 172.7 | 0 | 0 | 0 | 0 | 109.8 | G44 S45 N100 | V39-G44 WeakPolarHBondContact CG1-O 3.46Å; V39-S45 WeakPolarHBondContact CA-O 3.37Å; V39-N100 PolarHBondContact O-ND2 2.78Å |
| 40 | W | 96.5 | Very high | 96.5 | Very high | 48 Ų | 48 | 51.3 Ų | 51.3 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 123.5 | 165.6 | 178.8 | 55.8 | 0 | 0 | 0 | 109.6 | G42 D43 G44 S45 S51 R53 G102 | W40-G42 PolarHBondContact O-N 2.84Å; W40-G42 VanDerWaalsContact O-N 3.11Å; W40-D43 HydrophobicContact CE3-CB 4.01Å; W40-D43 HydrophobicContact CZ3-CB 3.93Å; W40-D43 PolarHBondContact O-N 3.31Å; W40-G44 PolarHBondContact O-N 3.49Å; W40-S45 PolarHBondContact N-O 3.31Å; W40-S51 WeakPolarHBondContact CZ3-OG 3.46Å; W40-R53 VanDerWaalsContact CZ2-CZ 3.41Å; W40-G102 VanDerWaalsContact NE1-CA 3.26Å |
| 41 | E | 94.3 | Very high | 96.7 | Very high | 188 Ų | 188 | 53.9 Ų | 53.9 | 88% | 0.879 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -25.8 | -175.6 | -64.2 | -171.6 | 159.7 | 0 | 0 | 113.6 | D43 | E41-D43 VanDerWaalsContact C-N 3.3Å; E41-D43 PolarHBondContact O-N 2.89Å |
| 42 | G | 94.1 | Very high | 96.8 | Very high | 53 Ų | 53 | 55.5 Ų | 55.5 | 55% | 0.546 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -25.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | W40 | W40-G42 PolarHBondContact O-N 2.84Å; W40-G42 VanDerWaalsContact O-N 3.11Å |
| 43 | D | 96.3 | Very high | 96.9 | Very high | 36 Ų | 36 | 49.9 Ų | 49.9 | 19% | 0.193 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -135 | -0.4 | 175.8 | 70.5 | 14.1 | 0 | 0 | 0 | 115.1 | W40 E41 S45 G48 L50 S51 | W40-D43 HydrophobicContact CE3-CB 4.01Å; W40-D43 HydrophobicContact CZ3-CB 3.93Å; W40-D43 PolarHBondContact O-N 3.31Å; E41-D43 VanDerWaalsContact C-N 3.3Å; E41-D43 PolarHBondContact O-N 2.89Å; D43-S45 PolarHBondContact O-N 2.95Å; D43-S45 WeakPolarHBondContact OD1-CB 3.49Å; D43-S45 PolarHBondContact OD1-N 2.94Å; D43-S45 PolarHBondContact OD1-OG 3.29Å; D43-S45 PolarHBondContact OD2-OG 3.47Å; D43-G48 WeakPolarHBondContact OD2-CA 3.49Å; D43-L50 HydrophobicContact CB-CB 4.23Å; D43-L50 PolarHBondContact OD2-N 3.29Å; D43-S51 VanDerWaalsContact CB-OG 3.29Å; D43-S51 WeakPolarHBondContact CB-OG 3.49Å; D43-S51 WeakPolarHBondContact OD2-CB 2.98Å; D43-S51 PolarHBondContact OD2-N 2.96Å; D43-S51 PolarHBondContact OD2-OG 2.95Å |
| 44 | G | 96.8 | Very high | 97 | Very high | 54 Ų | 54 | 46.9 Ų | 46.9 | 56% | 0.557 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 9.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | V39 W40 | V39-G44 WeakPolarHBondContact CG1-O 3.46Å; W40-G44 PolarHBondContact O-N 3.49Å |
| 45 | S | 97.9 | Very high | 97.1 | Very high | 16 Ų | 16 | 48.1 Ų | 48.1 | 11% | 0.112 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 151.4 | 179.3 | 71.6 | 0 | 0 | 0 | 0 | 113.1 | V39 W40 D43 C47 G48 A49 L50 | V39-S45 WeakPolarHBondContact CA-O 3.37Å; W40-S45 PolarHBondContact N-O 3.31Å; D43-S45 PolarHBondContact O-N 2.95Å; D43-S45 WeakPolarHBondContact OD1-CB 3.49Å; D43-S45 PolarHBondContact OD1-N 2.94Å; D43-S45 PolarHBondContact OD1-OG 3.29Å; D43-S45 PolarHBondContact OD2-OG 3.47Å; S45-C47 PolarHBondContact O-N 2.96Å; S45-G48 PolarHBondContact O-N 2.91Å; S45-G48 WeakPolarHBondContact OG-CA 3.48Å; S45-A49 PolarHBondContact OG-N 3.48Å; S45-L50 PolarHBondContact OG-N 2.75Å |
| 46 | A | 97.9 | Very high | 97.1 | Very high | 40 Ų | 40 | 45.9 Ų | 45.9 | 33% | 0.331 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 128.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | C37 G48 A49 | C37-A46 HydrophobicContact CB-CB 4.49Å; A46-G48 PolarHBondContact O-N 3.39Å; A46-G48 VanDerWaalsContact O-N 3.08Å; A46-A49 WeakPolarHBondContact O-CB 3.4Å; A46-A49 PolarHBondContact O-N 3.26Å |
| 47 | C | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 18.3 | -179.1 | -45.5 | 0 | 0 | 0 | 0 | 115.2 | P38 S45 A49 G54 C56 C90 N100 C101 | P38-C47 PolarHBondContact O-N 3.24Å; S45-C47 PolarHBondContact O-N 2.96Å; C47-A49 VanDerWaalsContact C-N 3.31Å; C47-A49 PolarHBondContact O-N 3.49Å; C47-G54 CarbonylContact O-C 3.57Å; C47-G54 WeakPolarHBondContact O-CA 3.24Å; C47-G54 PolarHBondContact O-N 2.98Å; C47-G54 VanDerWaalsContact O-N 3.17Å; C47-C56 PolarHBondContact SG-N 3.38Å; C47-C90 WeakPolarHBondContact CA-SG 3.19Å; C47-C90 HydrophobicContact CB-CB 3.68Å; C47-C90 WeakPolarHBondContact CB-SG 3.48Å; C47-C90 WeakPolarHBondContact SG-CA 3.5Å; C47-C90 WeakPolarHBondContact SG-CB 3.31Å; C47-C90 CovalentContact SG-SG 2.03Å; C47-C90 PolarHBondContact SG-SG 3.39Å; C47-N100 CarbonylContact C-O 3.6Å; C47-N100 WeakPolarHBondContact CA-O 3.23Å; C47-C101 WeakPolarHBondContact O-CB 3.45Å |
| 48 | G | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 33.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D43 S45 A46 L50 S51 G52 R53 | D43-G48 WeakPolarHBondContact OD2-CA 3.49Å; S45-G48 PolarHBondContact O-N 2.91Å; S45-G48 WeakPolarHBondContact OG-CA 3.48Å; A46-G48 PolarHBondContact O-N 3.39Å; A46-G48 VanDerWaalsContact O-N 3.08Å; G48-L50 PolarHBondContact O-N 2.98Å; G48-S51 PolarHBondContact O-N 3.48Å; G48-G52 PolarHBondContact O-N 3.41Å; G48-R53 WeakPolarHBondContact O-CB 3.42Å; G48-R53 PolarHBondContact O-N 3.41Å |
| 49 | A | 98.1 | Very high | 97.2 | Very high | 36 Ų | 36 | 51.1 Ų | 51.1 | 30% | 0.298 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -60.3 | -37.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S45 A46 C47 S51 G52 G54 F55 | S45-A49 PolarHBondContact OG-N 3.48Å; A46-A49 WeakPolarHBondContact O-CB 3.4Å; A46-A49 PolarHBondContact O-N 3.26Å; C47-A49 VanDerWaalsContact C-N 3.31Å; C47-A49 PolarHBondContact O-N 3.49Å; A49-S51 PolarHBondContact O-N 2.86Å; A49-G52 PolarHBondContact O-N 2.95Å; A49-G54 WeakPolarHBondContact CA-O 3.36Å; A49-G54 PolarHBondContact N-O 3.48Å; A49-F55 HydrophobicContact CB-CD1 3.91Å; A49-F55 HydrophobicContact CB-CE1 4.09Å |
| 50 | L | 97.9 | Very high | 97.1 | Very high | 142 Ų | 142 | 53.1 Ų | 53.1 | 74% | 0.743 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -65.7 | -29 | 179 | -71.6 | 176.6 | 0 | 0 | 0 | 112.3 | D43 S45 G48 | D43-L50 HydrophobicContact CB-CB 4.23Å; D43-L50 PolarHBondContact OD2-N 3.29Å; S45-L50 PolarHBondContact OG-N 2.75Å; G48-L50 PolarHBondContact O-N 2.98Å |
| 51 | S | 96.9 | Very high | 97.1 | Very high | 59 Ų | 59 | 52 Ų | 52 | 41% | 0.413 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -92.8 | 3.3 | 174.6 | -56.1 | 0 | 0 | 0 | 0 | 113.6 | W40 D43 G48 A49 R53 | W40-S51 WeakPolarHBondContact CZ3-OG 3.46Å; D43-S51 VanDerWaalsContact CB-OG 3.29Å; D43-S51 WeakPolarHBondContact CB-OG 3.49Å; D43-S51 WeakPolarHBondContact OD2-CB 2.98Å; D43-S51 PolarHBondContact OD2-N 2.96Å; D43-S51 PolarHBondContact OD2-OG 2.95Å; G48-S51 PolarHBondContact O-N 3.48Å; A49-S51 PolarHBondContact O-N 2.86Å; S51-R53 PolarHBondContact O-N 2.89Å |
| 52 | G | 96.9 | Very high | 97.1 | Very high | 34 Ų | 34 | 45 Ų | 45 | 35% | 0.351 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 22.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | G48 A49 | G48-G52 PolarHBondContact O-N 3.41Å; A49-G52 PolarHBondContact O-N 2.95Å |
| 53 | R | 97.8 | Very high | 97.2 | Very high | 17 Ų | 17 | 48.8 Ų | 48.8 | 6% | 0.064 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -76.2 | -29.4 | 180 | -71.3 | 177.9 | 162.9 | -98.4 | -0.3 | 113.4 | W40 G48 S51 C92 A93 Y96 C101 G102 G111 | W40-R53 VanDerWaalsContact CZ2-CZ 3.41Å; G48-R53 WeakPolarHBondContact O-CB 3.42Å; G48-R53 PolarHBondContact O-N 3.41Å; S51-R53 PolarHBondContact O-N 2.89Å; R53-C92 CarbonylContact O-C 3.53Å; R53-C92 WeakPolarHBondContact O-CA 3.35Å; R53-A93 PolarHBondContact O-N 3.24Å; R53-Y96 HydrophobicContact CB-CD1 4.47Å; R53-Y96 HydrophobicContact CB-CD2 4Å; R53-Y96 HydrophobicContact CB-CE2 4.33Å; R53-Y96 HydrophobicContact CB-CG 4.08Å; R53-Y96 HydrophobicContact CG-CD1 4.01Å; R53-Y96 HydrophobicContact CG-CD2 4.02Å; R53-Y96 HydrophobicContact CG-CE1 3.93Å; R53-Y96 HydrophobicContact CG-CE2 3.93Å; R53-Y96 HydrophobicContact CG-CG 4.07Å; R53-C101 HydrophobicContact CB-CB 4.03Å; R53-C101 WeakPolarHBondContact CD-O 3.4Å; R53-C101 PolarHBondContact NH1-O 3.5Å; R53-C101 VanDerWaalsContact NH1-O 3.17Å; R53-G102 PolarHBondContact NH1-O 3.43Å; R53-G111 PolarHBondContact NH2-O 3.42Å |
| 54 | G | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.7 | 175.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | C47 A49 R91 | C47-G54 CarbonylContact O-C 3.57Å; C47-G54 WeakPolarHBondContact O-CA 3.24Å; C47-G54 PolarHBondContact O-N 2.98Å; C47-G54 VanDerWaalsContact O-N 3.17Å; A49-G54 WeakPolarHBondContact CA-O 3.36Å; A49-G54 PolarHBondContact N-O 3.48Å; G54-R91 WeakPolarHBondContact CA-O 3.22Å |
| 55 | F | 97.9 | Very high | 97.2 | Very high | 103 Ų | 103 | 51.2 Ų | 51.2 | 45% | 0.452 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 147.4 | -178.1 | -57.5 | -83.3 | 0 | 0 | 0 | 109.9 | A49 T57 R91 | A49-F55 HydrophobicContact CB-CD1 3.91Å; A49-F55 HydrophobicContact CB-CE1 4.09Å; F55-T57 HydrophobicContact CB-CG2 4.21Å; F55-T57 PolarHBondContact O-N 2.98Å; F55-R91 PolarHBondContact N-O 3.26Å; F55-R91 PolarHBondContact O-N 3.48Å |
| 56 | C | 98 | Very high | 97.1 | Very high | 27 Ų | 27 | 53.5 Ų | 53.5 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 118.4 | 170.8 | -172.5 | 0 | 0 | 0 | 0 | 109.6 | E35 C37 C47 R88 | E35-C56 PolarHBondContact OE2-SG 2.9Å; E35-C56 VanDerWaalsContact OE2-SG 3.38Å; C37-C56 HydrophobicContact CB-CB 3.57Å; C37-C56 WeakPolarHBondContact CB-SG 3.43Å; C37-C56 WeakPolarHBondContact SG-CA 3.39Å; C37-C56 WeakPolarHBondContact SG-CB 3.43Å; C37-C56 CovalentContact SG-SG 2.03Å; C37-C56 PolarHBondContact SG-SG 3.12Å; C47-C56 PolarHBondContact SG-N 3.38Å; C56-R88 PolarHBondContact O-NH2 3.33Å |
| 57 | T | 97.7 | Very high | 96.9 | Very high | 30 Ų | 30 | 51.9 Ų | 51.9 | 18% | 0.184 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 155.2 | -174.1 | 60 | 0 | 0 | 0 | 0 | 112.1 | F55 R88 T89 R91 | F55-T57 HydrophobicContact CB-CG2 4.21Å; F55-T57 PolarHBondContact O-N 2.98Å; T57-R88 VanDerWaalsContact O-CA 3.3Å; T57-R88 WeakPolarHBondContact O-CA 3.32Å; T57-T89 PolarHBondContact N-O 3Å; T57-T89 PolarHBondContact O-N 3.47Å; T57-R91 HydrophobicContact CG2-CB 4.36Å; T57-R91 WeakPolarHBondContact OG1-CB 3.24Å |
| 58 | E | 98.1 | Very high | 96.8 | Very high | 95 Ų | 95 | 57.7 Ų | 57.7 | 44% | 0.444 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 140.3 | 168.9 | -64.1 | -60.9 | 141 | 0 | 0 | 111.2 | L60 N87 R88 | E58-L60 PolarHBondContact O-N 3.31Å; E58-N87 CarbonylContact C-O 3.4Å; E58-N87 WeakPolarHBondContact CA-O 3.31Å; E58-R88 WeakPolarHBondContact OE1-CD 3.41Å; E58-R88 WeakPolarHBondContact OE1-CG 3.44Å; E58-R88 IonicContact OE1-CZ 2.82Å; E58-R88 IonicContact OE1-NE 3.45Å; E58-R88 IonicContact OE1-NH1 2.83Å; E58-R88 PolarHBondContact OE1-NH1 2.9Å |
| 59 | V | 97.6 | Very high | 96.6 | Very high | 13 Ų | 13 | 59.4 Ų | 59.4 | 8% | 0.079 | 34% | 0.34 | C | S | . | . | trans | -85 | 112.4 | 176.2 | -179.1 | 0 | 0 | 0 | 0 | 109 | V61 P82 L83 N87 T89 Y428 L435 | V59-V61 HydrophobicContact CG1-CG1 4.12Å; V59-P82 HydrophobicContact CG1-CG 4.3Å; V59-P82 HydrophobicContact CG2-CG 4.45Å; V59-L83 HydrophobicContact CB-CD2 4.09Å; V59-L83 HydrophobicContact CG1-CD2 4.29Å; V59-N87 PolarHBondContact N-O 2.92Å; V59-T89 HydrophobicContact CG2-CG2 3.75Å; V59-T89 WeakPolarHBondContact CG2-OG1 3.38Å; V59-Y428 HydrophobicContact CG1-CD2 4.33Å; V59-Y428 HydrophobicContact CG1-CE2 3.67Å; V59-L435 HydrophobicContact CB-CD1 4.41Å; V59-L435 HydrophobicContact CG1-CD1 3.58Å; V59-L435 HydrophobicContact CG2-CD1 3.89Å | ||
| 60 | L | 95.9 | Very high | 96.5 | Very high | 125 Ų | 125 | 58.6 Ų | 58.6 | 65% | 0.654 | 33% | 0.33 | S | S | * | . | trans | -93.8 | 110.3 | 175 | -55.8 | 179.6 | 0 | 0 | 0 | 109.6 | E58 Y428 R437 | E58-L60 PolarHBondContact O-N 3.31Å; L60-Y428 VanDerWaalsContact O-CE2 3.27Å; L60-Y428 WeakPolarHBondContact O-CE2 3.5Å; L60-Y428 PolarHBondContact O-OH 3.4Å; L60-R437 PolarHBondContact O-NH2 2.91Å | ||
| 61 | V | 96.1 | Very high | 96.3 | Very high | 24 Ų | 24 | 55.8 Ų | 55.8 | 15% | 0.145 | 32% | 0.32 | C | S | . | . | trans | -94.3 | 152.4 | 174.5 | -56.4 | 0 | 0 | 0 | 0 | 110.3 | V59 R80 L83 Y428 | V59-V61 HydrophobicContact CG1-CG1 4.12Å; V61-R80 HydrophobicContact CG2-CB 4.31Å; V61-L83 HydrophobicContact CB-CD1 4.37Å; V61-L83 HydrophobicContact CG1-CD1 3.78Å; V61-L83 HydrophobicContact CG1-CD2 4.32Å; V61-L83 HydrophobicContact CG1-CG 3.8Å; V61-L83 HydrophobicContact CG2-CD1 3.63Å; V61-Y428 HydrophobicContact CG1-CD2 4.16Å; V61-Y428 HydrophobicContact CG1-CE2 4.21Å | ||
| 62 | S | 94.2 | Very high | 96.3 | Very high | 42 Ų | 42 | 55.5 Ų | 55.5 | 29% | 0.294 | 31% | 0.312 | S | S | . | . | trans | -66.7 | 142.4 | 176.4 | -170.6 | 0 | 0 | 0 | 0 | 111.1 | E64 | S62-E64 WeakPolarHBondContact OG-CB 3.5Å; S62-E64 WeakPolarHBondContact OG-CG 3.5Å; S62-E64 PolarHBondContact OG-N 2.84Å | ||
| 63 | D | 95.1 | Very high | 96.1 | Very high | 132 Ų | 132 | 59.8 Ų | 59.8 | 71% | 0.706 | 33% | 0.332 | S | S | * | . | trans | -102 | 8.3 | 170.8 | -65.2 | -48.4 | 0 | 0 | 0 | 112.1 | R80 | D63-R80 IonicContact OD1-CZ 2.78Å; D63-R80 IonicContact OD1-NH1 3.99Å; D63-R80 IonicContact OD1-NH2 3.91Å; D63-R80 PolarHBondContact OD1-NH2 3.26Å | ||
| 64 | E | 97 | Very high | 95.9 | Very high | 73 Ų | 73 | 62.4 Ų | 62.4 | 34% | 0.341 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 137.8 | 174.1 | -67.1 | -68.9 | 176 | 0 | 0 | 110.9 | S62 Q416 A417 | S62-E64 WeakPolarHBondContact OG-CB 3.5Å; S62-E64 WeakPolarHBondContact OG-CG 3.5Å; S62-E64 PolarHBondContact OG-N 2.84Å; E64-Q416 HydrophobicContact CG-CG 4.38Å; E64-Q416 PolarHBondContact OE1-NE2 3Å; E64-A417 HydrophobicContact CB-CB 4.02Å |
| 65 | P | 96.5 | Very high | 95.8 | Very high | 67 Ų | 67 | 66.1 Ų | 66.1 | 44% | 0.435 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -65 | 144.2 | -176.3 | 26.7 | -34.3 | 0 | 0 | 0 | 111.8 | A417 N418 N424 | P65-A417 HydrophobicContact CG-CB 4.23Å; P65-N418 WeakPolarHBondContact CG-OD1 3.5Å; P65-N418 WeakPolarHBondContact O-CA 3.43Å; P65-N418 PolarHBondContact O-N 2.79Å; P65-N424 PolarHBondContact O-ND2 3.16Å |
| 66 | N | 95.9 | Very high | 95.7 | Very high | 64 Ų | 64 | 61.6 Ų | 61.6 | 34% | 0.342 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -86.1 | 162.1 | 169.1 | -56.7 | -52.1 | 0 | 0 | 0 | 110.2 | I421 N424 | N66-I421 HydrophobicContact CB-CB 4.17Å; N66-N424 PolarHBondContact OD1-ND2 3.02Å |
| 67 | G | 94.9 | Very high | 95.7 | Very high | 6 Ų | 6 | 61.6 Ų | 61.6 | 6% | 0.062 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 165.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q69 N418 A419 | G67-Q69 VanDerWaalsContact CA-OE1 3.23Å; G67-Q69 PolarHBondContact O-N 2.84Å; G67-N418 VanDerWaalsContact CA-O 3.24Å; G67-N418 WeakPolarHBondContact CA-O 3.31Å; G67-N418 PolarHBondContact N-O 3.21Å; G67-A419 PolarHBondContact N-O 2.75Å |
| 68 | P | 94.3 | Very high | 95.7 | Very high | 122 Ų | 122 | 60.2 Ų | 60.2 | 79% | 0.792 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -2 | -172.7 | 32.9 | -37.8 | 0 | 0 | 0 | 114.6 | Y70 | P68-Y70 PolarHBondContact O-N 3.38Š|
| 69 | Q | 93.5 | Very high | 95.6 | Very high | 36 Ų | 36 | 56.9 Ų | 56.9 | 17% | 0.168 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -26 | -172.6 | -63 | 84.8 | -9.8 | 0 | 0 | 113.1 | G67 W198 P420 | G67-Q69 VanDerWaalsContact CA-OE1 3.23Å; G67-Q69 PolarHBondContact O-N 2.84Å; Q69-W198 WeakPolarHBondContact O-CZ2 3.41Å; Q69-P420 HydrophobicContact CG-CG 4.47Å |
| 70 | Y | 95.9 | Very high | 95.6 | Very high | 19 Ų | 19 | 62.3 Ų | 62.3 | 8% | 0.075 | 36% | 0.356 | C | S | . | . | trans | -114.7 | 101.6 | 178.7 | -175.7 | -109.1 | 0 | 0 | 0 | 110.7 | P68 H72 I75 D76 E79 T189 W198 I201 I421 | P68-Y70 PolarHBondContact O-N 3.38Å; Y70-H72 VanDerWaalsContact C-N 3.27Å; Y70-H72 HydrophobicContact CD1-CB 4.46Å; Y70-H72 WeakPolarHBondContact CD1-O 3.26Å; Y70-H72 HydrophobicContact CE1-CB 3.83Å; Y70-H72 WeakPolarHBondContact CE1-O 3.4Å; Y70-H72 HydrophobicContact CE2-CB 4.06Å; Y70-H72 AromaticContact CE2-CD2 3.86Å; Y70-H72 PolarHBondContact O-N 3.41Å; Y70-I75 VanDerWaalsContact OH-CG1 3.31Å; Y70-I75 WeakPolarHBondContact OH-CG1 3.42Å; Y70-D76 WeakPolarHBondContact OH-CB 3.35Å; Y70-E79 HydrophobicContact CE1-CG 4.18Å; Y70-E79 PolarHBondContact OH-OE1 3.47Å; Y70-T189 HydrophobicContact CE2-CG2 4.37Å; Y70-W198 AromaticContact CD2-CD1 3.7Å; Y70-W198 HydrophobicContact CD2-CG 4.42Å; Y70-W198 AromaticContact CD2-NE1 3.86Å; Y70-W198 HydrophobicContact CE2-CG 4.47Å; Y70-I201 HydrophobicContact CD2-CB 4.37Å; Y70-I201 HydrophobicContact CD2-CD1 3.73Å; Y70-I201 HydrophobicContact CD2-CG1 4.39Å; Y70-I201 HydrophobicContact CE2-CD1 3.6Å; Y70-I201 HydrophobicContact CG-CD1 4.34Å; Y70-I421 HydrophobicContact CD1-CD1 3.79Å; Y70-I421 HydrophobicContact CD1-CG2 4.25Å; Y70-I421 HydrophobicContact CE1-CD1 4.11Å; Y70-I421 HydrophobicContact CG-CG2 4.01Å | ||
| 71 | P | 95.3 | Very high | 95.6 | Very high | 83 Ų | 83 | 56.4 Ų | 56.4 | 54% | 0.539 | 33% | 0.326 | S | S | . | . | trans | -87.8 | 13.5 | -172.2 | 36 | -37.2 | 0 | 0 | 0 | 113.9 | W198 | P71-W198 HydrophobicContact CG-CE3 4.46Å; P71-W198 HydrophobicContact CG-CH2 3.85Å; P71-W198 HydrophobicContact CG-CZ2 4.11Å; P71-W198 HydrophobicContact CG-CZ3 4.04Å | ||
| 72 | H | 95.4 | Very high | 95.7 | Very high | 53 Ų | 53 | 55.2 Ų | 55.2 | 25% | 0.245 | 32% | 0.319 | C | S | . | . | trans | -111.6 | 160.7 | -175.3 | -54.5 | -77.3 | 0 | 0 | 0 | 112.1 | Y70 I75 W198 | Y70-H72 VanDerWaalsContact C-N 3.27Å; Y70-H72 HydrophobicContact CD1-CB 4.46Å; Y70-H72 WeakPolarHBondContact CD1-O 3.26Å; Y70-H72 HydrophobicContact CE1-CB 3.83Å; Y70-H72 WeakPolarHBondContact CE1-O 3.4Å; Y70-H72 HydrophobicContact CE2-CB 4.06Å; Y70-H72 AromaticContact CE2-CD2 3.86Å; Y70-H72 PolarHBondContact O-N 3.41Å; H72-I75 HydrophobicContact CB-CD1 3.34Å; H72-I75 HydrophobicContact CB-CG1 3.73Å; H72-W198 AromaticContact NE2-CD2 3.73Å; H72-W198 AromaticContact NE2-CE3 3.44Å; H72-W198 AromaticContact NE2-CG 3.99Å | ||
| 73 | T | 93.4 | Very high | 95.8 | Very high | 125 Ų | 125 | 55.6 Ų | 55.6 | 77% | 0.767 | 32% | 0.317 | S | S | * | . | trans | -150.4 | 134.5 | 178.1 | -56.3 | 0 | 0 | 0 | 0 | 110.1 | I75 E79 | T73-I75 VanDerWaalsContact C-N 3.34Å; T73-E79 WeakPolarHBondContact CA-OE2 3.41Å | ||
| 74 | G | 93.4 | Very high | 95.8 | Very high | 71 Ų | 71 | 50.5 Ų | 50.5 | 73% | 0.732 | 29% | 0.293 | S | S | * | . | S | Bend | trans | 72.9 | 22.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | E79 | G74-E79 VanDerWaalsContact N-CD 3.28Å; G74-E79 PolarHBondContact N-OE1 3.09Å; G74-E79 PolarHBondContact N-OE2 2.92Å |
| 75 | I | 94.8 | Very high | 95.7 | Very high | 78 Ų | 78 | 47 Ų | 47 | 40% | 0.4 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -117.6 | -20.8 | -178 | 66.7 | 164.7 | 0 | 0 | 0 | 113.4 | Y70 H72 T73 E79 T189 L191 | Y70-I75 VanDerWaalsContact OH-CG1 3.31Å; Y70-I75 WeakPolarHBondContact OH-CG1 3.42Å; H72-I75 HydrophobicContact CB-CD1 3.34Å; H72-I75 HydrophobicContact CB-CG1 3.73Å; T73-I75 VanDerWaalsContact C-N 3.34Å; I75-E79 PolarHBondContact N-OE1 3.46Å; I75-T189 HydrophobicContact CD1-CG2 3.57Å; I75-T189 HydrophobicContact CG1-CG2 3.87Å; I75-L191 HydrophobicContact CD1-CD2 3.37Å |
| 76 | D | 97 | Very high | 95.7 | Very high | 9 Ų | 9 | 43.8 Ų | 43.8 | 5% | 0.048 | 26% | 0.256 | C | S | . | . | trans | -115.4 | 128.9 | 178.4 | -159.9 | -62.7 | 0 | 0 | 0 | 111.3 | Y70 R78 E79 R187 T189 | Y70-D76 WeakPolarHBondContact OH-CB 3.35Å; D76-R78 PolarHBondContact O-N 3.44Å; D76-R78 VanDerWaalsContact OD1-CB 3.27Å; D76-R78 WeakPolarHBondContact OD1-CB 3Å; D76-R78 VanDerWaalsContact OD1-CG 3.31Å; D76-R78 WeakPolarHBondContact OD1-CG 3.48Å; D76-R78 IonicContact OD1-CZ 2.74Å; D76-R78 PolarHBondContact OD1-N 2.82Å; D76-R78 IonicContact OD1-NE 3.06Å; D76-R78 PolarHBondContact OD1-NE 3.38Å; D76-R78 IonicContact OD1-NH2 2.9Å; D76-R78 IonicContact OD2-CZ 2.56Å; D76-R78 IonicContact OD2-NE 3.86Å; D76-R78 PolarHBondContact OD2-NE 3.03Å; D76-R78 IonicContact OD2-NH2 3.82Å; D76-R78 PolarHBondContact OD2-NH2 3.4Å; D76-E79 HydrophobicContact CB-CG 4.19Å; D76-E79 PolarHBondContact N-OE1 3.47Å; D76-E79 VanDerWaalsContact O-CB 3.27Å; D76-E79 WeakPolarHBondContact O-CB 3.37Å; D76-E79 VanDerWaalsContact O-CG 3.3Å; D76-E79 WeakPolarHBondContact O-CG 3.36Å; D76-E79 PolarHBondContact O-N 3.43Å; D76-R187 IonicContact OD1-NH1 2.75Å; D76-R187 IonicContact OD2-NH1 3.11Å; D76-R187 PolarHBondContact OD2-NH1 3.27Å; D76-T189 HydrophobicContact CB-CG2 3.87Å; D76-T189 WeakPolarHBondContact OD2-CA 3.49Å; D76-T189 VanDerWaalsContact OD2-CB 3.31Å; D76-T189 WeakPolarHBondContact OD2-CB 3.32Å; D76-T189 PolarHBondContact OD2-OG1 3.25Å | ||
| 77 | D | 97 | Very high | 95.8 | Very high | 27 Ų | 27 | 43.4 Ų | 43.4 | 14% | 0.144 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -16.1 | -178.1 | -61 | -33.6 | 0 | 0 | 0 | 113.8 | E79 A84 F85 T156 R157 | D77-E79 VanDerWaalsContact C-N 3.34Å; D77-A84 HydrophobicContact CB-CB 4.03Å; D77-A84 WeakPolarHBondContact O-CB 3.35Å; D77-F85 HydrophobicContact CB-CE2 3.78Å; D77-F85 HydrophobicContact CB-CZ 4.07Å; D77-T156 VanDerWaalsContact OD2-CA 3.27Å; D77-T156 WeakPolarHBondContact OD2-CA 3.11Å; D77-T156 WeakPolarHBondContact OD2-CB 3.25Å; D77-R157 WeakPolarHBondContact OD1-CB 3.25Å; D77-R157 PolarHBondContact OD2-N 2.89Å |
| 78 | R | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -14.3 | 178.6 | -60.1 | 173.7 | -68.6 | 170 | 5.8 | 112.4 | D76 R80 W81 Y184 V185 R187 F203 Y427 I430 | D76-R78 PolarHBondContact O-N 3.44Å; D76-R78 VanDerWaalsContact OD1-CB 3.27Å; D76-R78 WeakPolarHBondContact OD1-CB 3Å; D76-R78 VanDerWaalsContact OD1-CG 3.31Å; D76-R78 WeakPolarHBondContact OD1-CG 3.48Å; D76-R78 IonicContact OD1-CZ 2.74Å; D76-R78 PolarHBondContact OD1-N 2.82Å; D76-R78 IonicContact OD1-NE 3.06Å; D76-R78 PolarHBondContact OD1-NE 3.38Å; D76-R78 IonicContact OD1-NH2 2.9Å; D76-R78 IonicContact OD2-CZ 2.56Å; D76-R78 IonicContact OD2-NE 3.86Å; D76-R78 PolarHBondContact OD2-NE 3.03Å; D76-R78 IonicContact OD2-NH2 3.82Å; D76-R78 PolarHBondContact OD2-NH2 3.4Å; R78-R80 PolarHBondContact O-N 3.47Å; R78-W81 PolarHBondContact O-N 3.19Å; R78-Y184 WeakPolarHBondContact CD-O 3.47Å; R78-Y184 HydrophobicContact CG-CD1 4.18Å; R78-Y184 HydrophobicContact CG-CE1 3.48Å; R78-Y184 VanDerWaalsContact CG-CE1 3.48Å; R78-Y184 PolarHBondContact NH1-O 3.33Å; R78-V185 PolarHBondContact NH1-O 3.23Å; R78-R187 VanDerWaalsContact CZ-O 3.25Å; R78-R187 VanDerWaalsContact NH1-CG 3.29Å; R78-R187 PolarHBondContact NH1-O 3.48Å; R78-R187 PolarHBondContact NH2-O 3.3Å; R78-F203 HydrophobicContact CB-CD2 4.19Å; R78-F203 HydrophobicContact CB-CE1 4.14Å; R78-F203 HydrophobicContact CB-CE2 3.57Å; R78-F203 HydrophobicContact CB-CZ 3.53Å; R78-F203 HydrophobicContact CG-CE2 4.34Å; R78-Y427 PolarHBondContact O-OH 3.39Å; R78-Y427 VanDerWaalsContact O-OH 3.07Å; R78-I430 HydrophobicContact CB-CG1 4.34Å; R78-I430 HydrophobicContact CB-CG2 4.18Å; R78-I430 HydrophobicContact CG-CG2 3.84Å |
| 79 | E | 97 | Very high | 96.1 | Very high | 25 Ų | 25 | 41 Ų | 41 | 12% | 0.117 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 134.5 | 170.9 | -65.4 | 178.2 | -128.6 | 0 | 0 | 110.3 | Y70 T73 G74 I75 D76 D77 W81 I421 | Y70-E79 HydrophobicContact CE1-CG 4.18Å; Y70-E79 PolarHBondContact OH-OE1 3.47Å; T73-E79 WeakPolarHBondContact CA-OE2 3.41Å; G74-E79 VanDerWaalsContact N-CD 3.28Å; G74-E79 PolarHBondContact N-OE1 3.09Å; G74-E79 PolarHBondContact N-OE2 2.92Å; I75-E79 PolarHBondContact N-OE1 3.46Å; D76-E79 HydrophobicContact CB-CG 4.19Å; D76-E79 PolarHBondContact N-OE1 3.47Å; D76-E79 VanDerWaalsContact O-CB 3.27Å; D76-E79 WeakPolarHBondContact O-CB 3.37Å; D76-E79 VanDerWaalsContact O-CG 3.3Å; D76-E79 WeakPolarHBondContact O-CG 3.36Å; D76-E79 PolarHBondContact O-N 3.43Å; D77-E79 VanDerWaalsContact C-N 3.34Å; E79-W81 PolarHBondContact O-N 3.01Å; E79-W81 VanDerWaalsContact O-N 3.13Å; E79-I421 HydrophobicContact CG-CD1 4.04Å |
| 80 | R | 96.4 | Very high | 96.3 | Very high | 127 Ų | 127 | 39.8 Ų | 39.8 | 48% | 0.479 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 42.6 | 179.3 | -54.7 | -172.9 | 68.1 | 147.6 | 10.7 | 112.6 | V61 D63 R78 L83 Y427 | V61-R80 HydrophobicContact CG2-CB 4.31Å; D63-R80 IonicContact OD1-CZ 2.78Å; D63-R80 IonicContact OD1-NH1 3.99Å; D63-R80 IonicContact OD1-NH2 3.91Å; D63-R80 PolarHBondContact OD1-NH2 3.26Å; R78-R80 PolarHBondContact O-N 3.47Å; R80-L83 HydrophobicContact CB-CD1 4.2Å; R80-L83 WeakPolarHBondContact O-CB 3.31Å; R80-L83 VanDerWaalsContact O-CG 3.3Å; R80-L83 WeakPolarHBondContact O-CG 3.39Å; R80-L83 PolarHBondContact O-N 2.88Å; R80-Y427 PolarHBondContact N-OH 2.93Å |
| 81 | W | 97.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 0% | 0.004 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | 134.2 | -177.8 | 177.1 | -102.5 | 0 | 0 | 0 | 112.5 | F21 R78 E79 F85 Y184 Y427 Y428 I430 P431 F432 L433 | F21-W81 AromaticContact CE1-CH2 3.54Å; F21-W81 HydrophobicContact CE1-CH2 3.54Å; F21-W81 HydrophobicContact CE1-CZ2 4.27Å; F21-W81 HydrophobicContact CE1-CZ3 4.3Å; F21-W81 AromaticContact CZ-CH2 3.98Å; F21-W81 HydrophobicContact CZ-CH2 3.98Å; F21-W81 HydrophobicContact CZ-CZ3 4.47Å; R78-W81 PolarHBondContact O-N 3.19Å; E79-W81 PolarHBondContact O-N 3.01Å; E79-W81 VanDerWaalsContact O-N 3.13Å; W81-F85 HydrophobicContact CH2-CD2 4.48Å; W81-F85 AromaticContact CZ3-CD2 3.89Å; W81-F85 HydrophobicContact CZ3-CD2 3.89Å; W81-F85 AromaticContact CZ3-CE2 3.95Å; W81-F85 HydrophobicContact CZ3-CE2 3.95Å; W81-Y184 HydrophobicContact CZ3-CE1 4.36Å; W81-Y427 HydrophobicContact CB-CE1 4.34Å; W81-Y428 WeakPolarHBondContact O-CD2 3.1Å; W81-I430 HydrophobicContact CB-CD1 4.32Å; W81-I430 HydrophobicContact CB-CG1 3.7Å; W81-I430 HydrophobicContact CD2-CG1 4.39Å; W81-I430 HydrophobicContact CD2-CG2 4.4Å; W81-I430 HydrophobicContact CE3-CG2 4.33Å; W81-I430 HydrophobicContact CG-CB 4.49Å; W81-I430 HydrophobicContact CG-CG1 3.91Å; W81-P431 HydrophobicContact CH2-CB 3.52Å; W81-P431 HydrophobicContact CZ2-CB 3.67Å; W81-P431 VanDerWaalsContact CZ2-O 3.26Å; W81-P431 WeakPolarHBondContact CZ2-O 3.22Å; W81-P431 HydrophobicContact CZ3-CB 4.04Å; W81-F432 PolarHBondContact NE1-O 2.8Å; W81-L433 HydrophobicContact CZ2-CD1 4.26Å; W81-L433 HydrophobicContact CZ2-CG 4.21Å |
| 82 | P | 96.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -101.9 | 23.6 | 3.7 | 42.8 | -37.6 | 0 | 0 | 0 | 114 | V59 A84 F85 F86 L435 | V59-P82 HydrophobicContact CG1-CG 4.3Å; V59-P82 HydrophobicContact CG2-CG 4.45Å; P82-A84 PolarHBondContact O-N 3.02Å; P82-F85 PolarHBondContact O-N 2.92Å; P82-F86 PolarHBondContact O-N 3.33Å; P82-L435 HydrophobicContact CB-CD2 4.3Å; P82-L435 HydrophobicContact CG-CD1 4.13Å; P82-L435 HydrophobicContact CG-CD2 3.82Å |
| 83 | L | 96.8 | Very high | 96.6 | Very high | 49 Ų | 49 | 43.7 Ų | 43.7 | 26% | 0.257 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -18.6 | -162.6 | -65.4 | -176 | 0 | 0 | 0 | 115.8 | V59 V61 R80 F85 N87 | V59-L83 HydrophobicContact CB-CD2 4.09Å; V59-L83 HydrophobicContact CG1-CD2 4.29Å; V61-L83 HydrophobicContact CB-CD1 4.37Å; V61-L83 HydrophobicContact CG1-CD1 3.78Å; V61-L83 HydrophobicContact CG1-CD2 4.32Å; V61-L83 HydrophobicContact CG1-CG 3.8Å; V61-L83 HydrophobicContact CG2-CD1 3.63Å; R80-L83 HydrophobicContact CB-CD1 4.2Å; R80-L83 WeakPolarHBondContact O-CB 3.31Å; R80-L83 VanDerWaalsContact O-CG 3.3Å; R80-L83 WeakPolarHBondContact O-CG 3.39Å; R80-L83 PolarHBondContact O-N 2.88Å; L83-F85 PolarHBondContact O-N 3.01Å; L83-N87 HydrophobicContact CD2-CB 4.38Å |
| 84 | A | 95.2 | Very high | 96.7 | Very high | 25 Ų | 25 | 41 Ų | 41 | 21% | 0.207 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -37.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | D77 P82 R157 | D77-A84 HydrophobicContact CB-CB 4.03Å; D77-A84 WeakPolarHBondContact O-CB 3.35Å; P82-A84 PolarHBondContact O-N 3.02Å; A84-R157 WeakPolarHBondContact O-CD 3.4Å; A84-R157 WeakPolarHBondContact O-CG 3.48Å; A84-R157 PolarHBondContact O-NE 3.49Å |
| 85 | F | 95.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -51.7 | -176.7 | -59.6 | -86.4 | 0 | 0 | 0 | 112.5 | F21 L31 D77 W81 P82 L83 R157 M160 | F21-F85 HydrophobicContact CE1-CB 3.94Å; F21-F85 HydrophobicContact CE1-CD1 4.21Å; F21-F85 AromaticContact CE1-CD2 3.94Å; F21-F85 HydrophobicContact CE1-CD2 3.94Å; F21-F85 AromaticContact CE1-CG 3.76Å; F21-F85 HydrophobicContact CE1-CG 3.76Å; F21-F85 AromaticContact CE2-CD1 3.85Å; F21-F85 HydrophobicContact CE2-CD1 3.85Å; F21-F85 AromaticContact CE2-CE1 3.94Å; F21-F85 HydrophobicContact CE2-CE1 3.94Å; F21-F85 HydrophobicContact CE2-CG 4.24Å; F21-F85 HydrophobicContact CE2-CZ 4.4Å; F21-F85 HydrophobicContact CZ-CB 4.09Å; F21-F85 AromaticContact CZ-CD1 3.5Å; F21-F85 HydrophobicContact CZ-CD1 3.5Å; F21-F85 VanDerWaalsContact CZ-CD1 3.5Å; F21-F85 AromaticContact CZ-CD2 3.59Å; F21-F85 HydrophobicContact CZ-CD2 3.59Å; F21-F85 AromaticContact CZ-CE1 3.74Å; F21-F85 HydrophobicContact CZ-CE1 3.74Å; F21-F85 AromaticContact CZ-CE2 3.81Å; F21-F85 HydrophobicContact CZ-CE2 3.81Å; F21-F85 AromaticContact CZ-CG 3.43Å; F21-F85 HydrophobicContact CZ-CG 3.43Å; F21-F85 VanDerWaalsContact CZ-CG 3.43Å; F21-F85 AromaticContact CZ-CZ 3.89Å; F21-F85 HydrophobicContact CZ-CZ 3.89Å; L31-F85 HydrophobicContact CD2-CD1 4.04Å; D77-F85 HydrophobicContact CB-CE2 3.78Å; D77-F85 HydrophobicContact CB-CZ 4.07Å; W81-F85 HydrophobicContact CH2-CD2 4.48Å; W81-F85 AromaticContact CZ3-CD2 3.89Å; W81-F85 HydrophobicContact CZ3-CD2 3.89Å; W81-F85 AromaticContact CZ3-CE2 3.95Å; W81-F85 HydrophobicContact CZ3-CE2 3.95Å; P82-F85 PolarHBondContact O-N 2.92Å; L83-F85 PolarHBondContact O-N 3.01Å; F85-R157 HydrophobicContact CE1-CB 4.05Å; F85-R157 HydrophobicContact CZ-CB 4.13Å; F85-M160 HydrophobicContact CE1-CE 4.44Å; F85-M160 HydrophobicContact CE1-SD 4.41Å |
| 86 | F | 96.4 | Very high | 97 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -134.9 | 129 | -170.7 | -57.5 | -75 | 0 | 0 | 0 | 111.9 | F21 C25 G30 K34 C36 P82 T89 L433 | F21-F86 HydrophobicContact CB-CE2 3.94Å; F21-F86 HydrophobicContact CB-CZ 4.27Å; F21-F86 AromaticContact CD1-CD2 3.87Å; F21-F86 HydrophobicContact CD1-CD2 3.87Å; F21-F86 AromaticContact CD1-CE2 3.25Å; F21-F86 HydrophobicContact CD1-CE2 3.25Å; F21-F86 HydrophobicContact CD1-CZ 4.29Å; F21-F86 HydrophobicContact CD2-CE2 4.42Å; F21-F86 HydrophobicContact CE1-CD2 4.16Å; F21-F86 AromaticContact CE1-CE2 3.77Å; F21-F86 HydrophobicContact CE1-CE2 3.77Å; F21-F86 AromaticContact CG-CE2 3.62Å; F21-F86 HydrophobicContact CG-CE2 3.62Å; F21-F86 HydrophobicContact CG-CZ 4.27Å; C25-F86 HydrophobicContact CB-CE1 4.2Å; C25-F86 HydrophobicContact CB-CZ 3.97Å; G30-F86 WeakPolarHBondContact O-CE1 3.37Å; K34-F86 CarbonylContact O-C 3.43Å; K34-F86 WeakPolarHBondContact O-CA 3.11Å; C36-F86 HydrophobicContact CB-CB 4.41Å; C36-F86 HydrophobicContact CB-CD1 3.51Å; C36-F86 HydrophobicContact CB-CD2 4.12Å; C36-F86 HydrophobicContact CB-CE1 3.71Å; C36-F86 HydrophobicContact CB-CE2 4.34Å; C36-F86 HydrophobicContact CB-CG 3.73Å; C36-F86 HydrophobicContact CB-CZ 4.14Å; P82-F86 PolarHBondContact O-N 3.33Å; F86-T89 HydrophobicContact CB-CG2 4.19Å; F86-L433 HydrophobicContact CD2-CD1 4.4Å | ||
| 87 | N | 97.4 | Very high | 97 | Very high | 55 Ų | 55 | 38.8 Ų | 38.8 | 29% | 0.294 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -97 | -13.1 | 169.9 | 66.4 | -2.1 | 0 | 0 | 0 | 112.2 | K34 E58 V59 L83 | K34-N87 HydrophobicContact CB-CB 4.45Å; K34-N87 WeakPolarHBondContact CB-OD1 3.05Å; K34-N87 PolarHBondContact O-N 2.95Å; K34-N87 PolarHBondContact O-OD1 3.25Å; E58-N87 CarbonylContact C-O 3.4Å; E58-N87 WeakPolarHBondContact CA-O 3.31Å; V59-N87 PolarHBondContact N-O 2.92Å; L83-N87 HydrophobicContact CD2-CB 4.38Å |
| 88 | R | 98 | Very high | 96.8 | Very high | 64 Ų | 64 | 37.8 Ų | 37.8 | 24% | 0.242 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 130 | 177.5 | -67 | 177.1 | 66 | 75.3 | 7.3 | 111.1 | K34 E35 C36 C56 T57 E58 | K34-R88 PolarHBondContact O-N 2.95Å; K34-R88 VanDerWaalsContact O-N 3.15Å; E35-R88 HydrophobicContact CB-CB 4.17Å; E35-R88 HydrophobicContact CG-CB 3.89Å; E35-R88 WeakPolarHBondContact OE2-CD 3.39Å; E35-R88 IonicContact OE2-CZ 2.69Å; E35-R88 IonicContact OE2-NE 2.62Å; E35-R88 PolarHBondContact OE2-NE 3.03Å; E35-R88 IonicContact OE2-NH2 3.69Å; C36-R88 PolarHBondContact N-O 3.17Å; C56-R88 PolarHBondContact O-NH2 3.33Å; T57-R88 VanDerWaalsContact O-CA 3.3Å; T57-R88 WeakPolarHBondContact O-CA 3.32Å; E58-R88 WeakPolarHBondContact OE1-CD 3.41Å; E58-R88 WeakPolarHBondContact OE1-CG 3.44Å; E58-R88 IonicContact OE1-CZ 2.82Å; E58-R88 IonicContact OE1-NE 3.45Å; E58-R88 IonicContact OE1-NH1 2.83Å; E58-R88 PolarHBondContact OE1-NH1 2.9Å |
| 89 | T | 97.8 | Very high | 96.7 | Very high | 13 Ų | 13 | 38.6 Ų | 38.6 | 8% | 0.08 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 166.6 | 177.6 | 63.1 | 0 | 0 | 0 | 0 | 111.5 | C36 T57 V59 F86 R91 L433 | C36-T89 HydrophobicContact CB-CG2 4.47Å; C36-T89 WeakPolarHBondContact O-CA 3.42Å; T57-T89 PolarHBondContact N-O 3Å; T57-T89 PolarHBondContact O-N 3.47Å; V59-T89 HydrophobicContact CG2-CG2 3.75Å; V59-T89 WeakPolarHBondContact CG2-OG1 3.38Å; F86-T89 HydrophobicContact CB-CG2 4.19Å; T89-R91 PolarHBondContact O-N 2.83Å; T89-L433 HydrophobicContact CG2-CD2 4.07Å |
| 90 | C | 97.6 | Very high | 96.7 | Very high | 12 Ų | 12 | 38.4 Ų | 38.4 | 8% | 0.081 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 125.5 | 174.1 | -68.1 | 0 | 0 | 0 | 0 | 112 | C47 F99 | C47-C90 WeakPolarHBondContact CA-SG 3.19Å; C47-C90 HydrophobicContact CB-CB 3.68Å; C47-C90 WeakPolarHBondContact CB-SG 3.48Å; C47-C90 WeakPolarHBondContact SG-CA 3.5Å; C47-C90 WeakPolarHBondContact SG-CB 3.31Å; C47-C90 CovalentContact SG-SG 2.03Å; C47-C90 PolarHBondContact SG-SG 3.39Å; C90-F99 WeakPolarHBondContact CB-O 3.29Å; C90-F99 PolarHBondContact SG-O 3.05Å; C90-F99 VanDerWaalsContact SG-O 3.37Å |
| 91 | R | 97 | Very high | 96.8 | Very high | 163 Ų | 163 | 32.3 Ų | 32.3 | 62% | 0.615 | 18% | 0.184 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 112.1 | 166.3 | -176.4 | 178.4 | 67.6 | 177.6 | 0.1 | 109.6 | G54 F55 T57 T89 | G54-R91 WeakPolarHBondContact CA-O 3.22Å; F55-R91 PolarHBondContact N-O 3.26Å; F55-R91 PolarHBondContact O-N 3.48Å; T57-R91 HydrophobicContact CG2-CB 4.36Å; T57-R91 WeakPolarHBondContact OG1-CB 3.24Å; T89-R91 PolarHBondContact O-N 2.83Å |
| 92 | C | 97.5 | Very high | 96.7 | Very high | 37 Ų | 37 | 33.3 Ų | 33.3 | 25% | 0.25 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 147.8 | -177.3 | -50 | 0 | 0 | 0 | 0 | 112.1 | R53 Y96 C101 | R53-C92 CarbonylContact O-C 3.53Å; R53-C92 WeakPolarHBondContact O-CA 3.35Å; C92-Y96 WeakPolarHBondContact CB-O 3.34Å; C92-C101 WeakPolarHBondContact CA-SG 3.28Å; C92-C101 HydrophobicContact CB-CB 3.76Å; C92-C101 WeakPolarHBondContact CB-SG 3.28Å; C92-C101 PolarHBondContact N-SG 3.48Å; C92-C101 WeakPolarHBondContact SG-CA 3.43Å; C92-C101 WeakPolarHBondContact SG-CB 3.46Å; C92-C101 CovalentContact SG-SG 2.05Å; C92-C101 PolarHBondContact SG-SG 3.23Å |
| 93 | A | 97.3 | Very high | 96.6 | Very high | 36 Ų | 36 | 35.3 Ų | 35.3 | 30% | 0.298 | 20% | 0.204 | S | C | . | . | trans | -93.9 | 144 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | R53 N95 Y96 | R53-A93 PolarHBondContact O-N 3.24Å; A93-N95 PolarHBondContact O-N 3.46Å; A93-N95 VanDerWaalsContact O-N 3.16Å; A93-Y96 WeakPolarHBondContact O-CB 3.18Å; A93-Y96 WeakPolarHBondContact O-CD2 3.43Å; A93-Y96 PolarHBondContact O-N 2.9Å; A93-Y96 VanDerWaalsContact O-N 3.07Å | ||
| 94 | G | 96.2 | Very high | 96.6 | Very high | 68 Ų | 68 | 34.5 Ų | 34.5 | 70% | 0.701 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | -120.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 95 | N | 97.3 | Very high | 96.6 | Very high | 49 Ų | 49 | 38 Ų | 38 | 26% | 0.262 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 12.2 | -177.7 | -63.2 | -28.6 | 0 | 0 | 0 | 113.4 | A93 C104 R105 Y108 C113 | A93-N95 PolarHBondContact O-N 3.46Å; A93-N95 VanDerWaalsContact O-N 3.16Å; N95-C104 CarbonylContact O-C 3.55Å; N95-C104 WeakPolarHBondContact O-CA 3.37Å; N95-R105 WeakPolarHBondContact O-CB 3.41Å; N95-R105 PolarHBondContact O-N 2.75Å; N95-Y108 HydrophobicContact CB-CD1 4.01Å; N95-Y108 HydrophobicContact CB-CD2 4.09Å; N95-Y108 HydrophobicContact CB-CE1 4.45Å; N95-Y108 HydrophobicContact CB-CG 3.79Å; N95-Y108 VanDerWaalsContact ND2-CD1 3.33Å; N95-Y108 WeakPolarHBondContact ND2-CD1 3.48Å; N95-Y108 WeakPolarHBondContact ND2-CE1 3.43Å; N95-C113 HydrophobicContact CB-CB 3.96Å; N95-C113 WeakPolarHBondContact CB-O 3.23Å; N95-C113 VanDerWaalsContact O-CB 3.31Å; N95-C113 WeakPolarHBondContact O-CB 3.41Å |
| 96 | Y | 97.9 | Very high | 96.6 | Very high | 52 Ų | 52 | 39.1 Ų | 39.1 | 20% | 0.204 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 153.4 | 171.5 | -60.9 | -64.3 | 0 | 0 | 0 | 110.7 | R53 C92 A93 E103 C113 | R53-Y96 HydrophobicContact CB-CD1 4.47Å; R53-Y96 HydrophobicContact CB-CD2 4Å; R53-Y96 HydrophobicContact CB-CE2 4.33Å; R53-Y96 HydrophobicContact CB-CG 4.08Å; R53-Y96 HydrophobicContact CG-CD1 4.01Å; R53-Y96 HydrophobicContact CG-CD2 4.02Å; R53-Y96 HydrophobicContact CG-CE1 3.93Å; R53-Y96 HydrophobicContact CG-CE2 3.93Å; R53-Y96 HydrophobicContact CG-CG 4.07Å; C92-Y96 WeakPolarHBondContact CB-O 3.34Å; A93-Y96 WeakPolarHBondContact O-CB 3.18Å; A93-Y96 WeakPolarHBondContact O-CD2 3.43Å; A93-Y96 PolarHBondContact O-N 2.9Å; A93-Y96 VanDerWaalsContact O-N 3.07Å; Y96-E103 WeakPolarHBondContact CA-O 3.2Å; Y96-C113 HydrophobicContact CD1-CB 4.06Å; Y96-C113 WeakPolarHBondContact CD1-SG 3.46Å; Y96-C113 HydrophobicContact CE1-CB 4.14Å |
| 97 | G | 95.7 | Very high | 96.5 | Very high | 12 Ų | 12 | 39.5 Ų | 39.5 | 12% | 0.124 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | -172 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | C101 G102 E103 | G97-C101 CarbonylContact O-C 3.3Å; G97-C101 VanDerWaalsContact O-C 3.27Å; G97-C101 WeakPolarHBondContact O-CA 3.47Å; G97-G102 PolarHBondContact O-N 3.24Å; G97-E103 PolarHBondContact N-O 3.1Å; G97-E103 CarbonylContact O-C 3.48Å; G97-E103 WeakPolarHBondContact O-CA 3.36Å; G97-E103 WeakPolarHBondContact O-CB 3.4Å; G97-E103 PolarHBondContact O-N 2.79Å |
| 98 | G | 94.8 | Very high | 96.5 | Very high | 6 Ų | 6 | 40 Ų | 40 | 6% | 0.062 | 22% | 0.216 | C | C | . | . | S | Bend | trans | 80.4 | 167.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | N100 C101 | G98-N100 PolarHBondContact O-N 2.84Å; G98-C101 PolarHBondContact O-N 2.72Å |
| 99 | F | 95.1 | Very high | 96.4 | Very high | 16 Ų | 16 | 38.9 Ų | 38.9 | 7% | 0.07 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -19.5 | -170.5 | 64.4 | -98 | 0 | 0 | 0 | 114.7 | P22 P38 C90 D149 Y150 | P22-F99 HydrophobicContact CB-CB 4.07Å; P22-F99 HydrophobicContact CB-CD1 4.24Å; P22-F99 HydrophobicContact CB-CD2 3.49Å; P22-F99 VanDerWaalsContact CB-CD2 3.49Å; P22-F99 HydrophobicContact CB-CE2 3.92Å; P22-F99 HydrophobicContact CB-CG 3.66Å; P22-F99 HydrophobicContact CB-CZ 4.47Å; P22-F99 HydrophobicContact CG-CB 3.33Å; P22-F99 HydrophobicContact CG-CD1 4.22Å; P22-F99 HydrophobicContact CG-CD2 3.77Å; P22-F99 HydrophobicContact CG-CG 3.51Å; P38-F99 HydrophobicContact CB-CD2 4.13Å; P38-F99 HydrophobicContact CB-CE2 4.02Å; P38-F99 HydrophobicContact CG-CD2 3.8Å; P38-F99 HydrophobicContact CG-CE2 4.08Å; C90-F99 WeakPolarHBondContact CB-O 3.29Å; C90-F99 PolarHBondContact SG-O 3.05Å; C90-F99 VanDerWaalsContact SG-O 3.37Å; F99-D149 HydrophobicContact CE1-CB 3.77Å; F99-D149 HydrophobicContact CZ-CB 4.44Å; F99-Y150 HydrophobicContact CD1-CE1 4.35Å; F99-Y150 HydrophobicContact CD1-CE2 4.47Å; F99-Y150 AromaticContact CD1-CZ 3.93Å |
| 100 | N | 96.6 | Very high | 96.1 | Very high | 21 Ų | 21 | 40 Ų | 40 | 11% | 0.112 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | 13.4 | 176.4 | 66.2 | -2 | 0 | 0 | 0 | 112.6 | P38 V39 C47 G98 G102 | P38-N100 HydrophobicContact CB-CB 4.14Å; V39-N100 PolarHBondContact O-ND2 2.78Å; C47-N100 CarbonylContact C-O 3.6Å; C47-N100 WeakPolarHBondContact CA-O 3.23Å; G98-N100 PolarHBondContact O-N 2.84Å; N100-G102 PolarHBondContact O-N 2.83Å; N100-G102 WeakPolarHBondContact OD1-CA 3.14Å; N100-G102 PolarHBondContact OD1-N 3.1Å |
| 101 | C | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | S | Bend | trans | 61.5 | 15.9 | -175 | -51.6 | 0 | 0 | 0 | 0 | 115.4 | C47 R53 C92 G97 G98 | C47-C101 WeakPolarHBondContact O-CB 3.45Å; R53-C101 HydrophobicContact CB-CB 4.03Å; R53-C101 WeakPolarHBondContact CD-O 3.4Å; R53-C101 PolarHBondContact NH1-O 3.5Å; R53-C101 VanDerWaalsContact NH1-O 3.17Å; C92-C101 WeakPolarHBondContact CA-SG 3.28Å; C92-C101 HydrophobicContact CB-CB 3.76Å; C92-C101 WeakPolarHBondContact CB-SG 3.28Å; C92-C101 PolarHBondContact N-SG 3.48Å; C92-C101 WeakPolarHBondContact SG-CA 3.43Å; C92-C101 WeakPolarHBondContact SG-CB 3.46Å; C92-C101 CovalentContact SG-SG 2.05Å; C92-C101 PolarHBondContact SG-SG 3.23Å; G97-C101 CarbonylContact O-C 3.3Å; G97-C101 VanDerWaalsContact O-C 3.27Å; G97-C101 WeakPolarHBondContact O-CA 3.47Å; G98-C101 PolarHBondContact O-N 2.72Å |
| 102 | G | 95.9 | Very high | 95.7 | Very high | 22 Ų | 22 | 39.4 Ų | 39.4 | 23% | 0.227 | 25% | 0.25 | C | S | . | . | trans | -78.2 | -21.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | W40 R53 G97 N100 | W40-G102 VanDerWaalsContact NE1-CA 3.26Å; R53-G102 PolarHBondContact NH1-O 3.43Å; G97-G102 PolarHBondContact O-N 3.24Å; N100-G102 PolarHBondContact O-N 2.83Å; N100-G102 WeakPolarHBondContact OD1-CA 3.14Å; N100-G102 PolarHBondContact OD1-N 3.1Å | ||
| 103 | E | 95.4 | Very high | 95.7 | Very high | 42 Ų | 42 | 37.8 Ų | 37.8 | 20% | 0.196 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -176.1 | -179.9 | -56.4 | -175.4 | -152 | 0 | 0 | 111 | Y96 G97 N223 K227 | Y96-E103 WeakPolarHBondContact CA-O 3.2Å; G97-E103 PolarHBondContact N-O 3.1Å; G97-E103 CarbonylContact O-C 3.48Å; G97-E103 WeakPolarHBondContact O-CA 3.36Å; G97-E103 WeakPolarHBondContact O-CB 3.4Å; G97-E103 PolarHBondContact O-N 2.79Å; E103-N223 PolarHBondContact OE2-ND2 3.23Å; E103-K227 IonicContact OE1-NZ 3.68Å; E103-K227 PolarHBondContact OE1-NZ 2.72Å |
| 104 | C | 96.3 | Very high | 95.7 | Very high | 31 Ų | 31 | 39.2 Ų | 39.2 | 21% | 0.209 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 150.1 | 173.6 | -60.3 | 0 | 0 | 0 | 0 | 110.7 | N95 Y108 G110 C113 | N95-C104 CarbonylContact O-C 3.55Å; N95-C104 WeakPolarHBondContact O-CA 3.37Å; C104-Y108 WeakPolarHBondContact CB-O 3.49Å; C104-G110 PolarHBondContact SG-O 3.11Å; C104-C113 WeakPolarHBondContact CA-SG 3.03Å; C104-C113 HydrophobicContact CB-CB 3.71Å; C104-C113 WeakPolarHBondContact CB-SG 3.31Å; C104-C113 WeakPolarHBondContact SG-CA 3.42Å; C104-C113 WeakPolarHBondContact SG-CB 3.36Å; C104-C113 CovalentContact SG-SG 2.04Å; C104-C113 PolarHBondContact SG-SG 2.93Å |
| 105 | R | 95.6 | Very high | 95.7 | Very high | 99 Ų | 99 | 41.9 Ų | 41.9 | 37% | 0.374 | 25% | 0.245 | S | C | . | . | trans | -56.4 | 146.9 | 167.1 | -176 | 177.3 | -177.6 | 177.8 | 2.9 | 109.4 | N95 G107 Y108 | N95-R105 WeakPolarHBondContact O-CB 3.41Å; N95-R105 PolarHBondContact O-N 2.75Å; R105-G107 PolarHBondContact O-N 3.45Å; R105-Y108 HydrophobicContact CB-CD2 4.34Å; R105-Y108 WeakPolarHBondContact O-CB 3.28Å; R105-Y108 PolarHBondContact O-N 3.02Å | ||
| 106 | F | 95.3 | Very high | 95.6 | Very high | 24 Ų | 24 | 44.6 Ų | 44.6 | 11% | 0.105 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46.9 | 130.2 | 177.8 | -57.3 | -54.5 | 0 | 0 | 0 | 112.1 | Y108 L219 Y436 Y441 L448 | F106-Y108 VanDerWaalsContact C-N 3.34Å; F106-L219 HydrophobicContact CD1-CB 4.03Å; F106-L219 HydrophobicContact CD1-CD2 4.4Å; F106-L219 HydrophobicContact CD2-CB 4.33Å; F106-L219 HydrophobicContact CD2-CD1 3.84Å; F106-L219 HydrophobicContact CE1-CB 3.71Å; F106-L219 HydrophobicContact CE2-CB 4.02Å; F106-L219 HydrophobicContact CE2-CD1 4.12Å; F106-L219 HydrophobicContact CG-CB 4.33Å; F106-L219 HydrophobicContact CG-CD1 4.09Å; F106-L219 HydrophobicContact CG-CD2 4.45Å; F106-L219 HydrophobicContact CZ-CB 3.71Å; F106-Y436 HydrophobicContact CE2-CE1 4.21Å; F106-Y441 AromaticContact CD2-CE1 3.97Å; F106-Y441 HydrophobicContact CD2-CE1 3.97Å; F106-Y441 HydrophobicContact CE2-CE1 4.09Å; F106-L448 CarbonylContact C-O 3.56Å; F106-L448 VanDerWaalsContact C-O 3.3Å; F106-L448 HydrophobicContact CB-CB 4.43Å |
| 107 | G | 95.1 | Very high | 95.3 | Very high | 7 Ų | 7 | 45.8 Ų | 45.8 | 7% | 0.072 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.2 | -11.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | R105 Y116 R117 L448 | R105-G107 PolarHBondContact O-N 3.45Å; G107-Y116 WeakPolarHBondContact O-CA 3.41Å; G107-Y116 WeakPolarHBondContact O-CD2 3.45Å; G107-R117 PolarHBondContact O-N 2.99Å; G107-L448 WeakPolarHBondContact CA-O 3.11Å; G107-L448 PolarHBondContact N-O 2.99Å; G107-L448 VanDerWaalsContact N-O 3.13Å |
| 108 | Y | 96.9 | Very high | 95.2 | Very high | 66 Ų | 66 | 48 Ų | 48 | 26% | 0.259 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 149.5 | 175.8 | -66.7 | -89 | 0 | 0 | 0 | 111.9 | N95 C104 R105 F106 C113 Q115 Y116 | N95-Y108 HydrophobicContact CB-CD1 4.01Å; N95-Y108 HydrophobicContact CB-CD2 4.09Å; N95-Y108 HydrophobicContact CB-CE1 4.45Å; N95-Y108 HydrophobicContact CB-CG 3.79Å; N95-Y108 VanDerWaalsContact ND2-CD1 3.33Å; N95-Y108 WeakPolarHBondContact ND2-CD1 3.48Å; N95-Y108 WeakPolarHBondContact ND2-CE1 3.43Å; C104-Y108 WeakPolarHBondContact CB-O 3.49Å; R105-Y108 HydrophobicContact CB-CD2 4.34Å; R105-Y108 WeakPolarHBondContact O-CB 3.28Å; R105-Y108 PolarHBondContact O-N 3.02Å; F106-Y108 VanDerWaalsContact C-N 3.34Å; Y108-C113 WeakPolarHBondContact CD1-O 3.33Å; Y108-Q115 CarbonylContact C-O 3.6Å; Y108-Q115 WeakPolarHBondContact CA-O 3.03Å; Y108-Y116 HydrophobicContact CE1-CD2 4.41Å |
| 109 | W | 94.9 | Very high | 95.2 | Very high | 41 Ų | 41 | 48.2 Ų | 48.2 | 16% | 0.155 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 170.7 | -170.4 | -57.7 | 85.1 | 0 | 0 | 0 | 111.5 | C113 A114 Q115 R117 F232 | W109-C113 CarbonylContact O-C 3.33Å; W109-C113 VanDerWaalsContact O-CA 3.31Å; W109-C113 WeakPolarHBondContact O-CA 3.26Å; W109-A114 PolarHBondContact O-N 3.22Å; W109-Q115 HydrophobicContact CB-CB 4.3Å; W109-Q115 PolarHBondContact N-O 3.4Å; W109-Q115 WeakPolarHBondContact O-CB 3.31Å; W109-Q115 PolarHBondContact O-N 3.39Å; W109-Q115 VanDerWaalsContact O-N 3.1Å; W109-R117 VanDerWaalsContact CD1-CB 3.45Å; W109-R117 HydrophobicContact CG-CB 4.32Å; W109-R117 PolarHBondContact NE1-O 3.35Å; W109-F232 HydrophobicContact CH2-CB 4.16Å; W109-F232 HydrophobicContact CH2-CD1 4.34Å; W109-F232 WeakPolarHBondContact CH2-O 3.24Å; W109-F232 HydrophobicContact CZ3-CB 3.69Å; W109-F232 AromaticContact CZ3-CD1 3.65Å; W109-F232 HydrophobicContact CZ3-CD1 3.65Å; W109-F232 AromaticContact CZ3-CG 3.97Å; W109-F232 HydrophobicContact CZ3-CG 3.97Å |
| 110 | G | 92.9 | Very high | 95.2 | Very high | 35 Ų | 35 | 49 Ų | 49 | 36% | 0.361 | 27% | 0.27 | S | S | . | . | S | Bend | trans | 87.1 | 167.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | C104 N112 C113 | C104-G110 PolarHBondContact SG-O 3.11Å; G110-N112 PolarHBondContact O-N 3.24Å; G110-C113 PolarHBondContact O-N 3.24Å |
| 111 | G | 91.9 | Very high | 95.3 | Very high | 68 Ų | 68 | 48 Ų | 48 | 70% | 0.701 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -21.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115 | R53 | R53-G111 PolarHBondContact NH2-O 3.42Š|
| 112 | N | 94.4 | Very high | 95.3 | Very high | 96 Ų | 96 | 49.6 Ų | 49.6 | 51% | 0.513 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | 12.1 | 177.3 | 66.3 | -12.6 | 0 | 0 | 0 | 113.2 | G110 A114 | G110-N112 PolarHBondContact O-N 3.24Å; N112-A114 PolarHBondContact O-N 2.94Å; N112-A114 VanDerWaalsContact O-N 3.13Å; N112-A114 VanDerWaalsContact OD1-CB 3.25Å; N112-A114 WeakPolarHBondContact OD1-CB 3.4Å; N112-A114 PolarHBondContact OD1-N 3.12Å |
| 113 | C | 96.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | S | Bend | trans | 54.5 | 30.8 | -178.7 | -53 | 0 | 0 | 0 | 0 | 114.7 | N95 Y96 C104 Y108 W109 G110 | N95-C113 HydrophobicContact CB-CB 3.96Å; N95-C113 WeakPolarHBondContact CB-O 3.23Å; N95-C113 VanDerWaalsContact O-CB 3.31Å; N95-C113 WeakPolarHBondContact O-CB 3.41Å; Y96-C113 HydrophobicContact CD1-CB 4.06Å; Y96-C113 WeakPolarHBondContact CD1-SG 3.46Å; Y96-C113 HydrophobicContact CE1-CB 4.14Å; C104-C113 WeakPolarHBondContact CA-SG 3.03Å; C104-C113 HydrophobicContact CB-CB 3.71Å; C104-C113 WeakPolarHBondContact CB-SG 3.31Å; C104-C113 WeakPolarHBondContact SG-CA 3.42Å; C104-C113 WeakPolarHBondContact SG-CB 3.36Å; C104-C113 CovalentContact SG-SG 2.04Å; C104-C113 PolarHBondContact SG-SG 2.93Å; Y108-C113 WeakPolarHBondContact CD1-O 3.33Å; W109-C113 CarbonylContact O-C 3.33Å; W109-C113 VanDerWaalsContact O-CA 3.31Å; W109-C113 WeakPolarHBondContact O-CA 3.26Å; G110-C113 PolarHBondContact O-N 3.24Å |
| 114 | A | 96.8 | Very high | 95.5 | Very high | 67 Ų | 67 | 47.6 Ų | 47.6 | 55% | 0.554 | 26% | 0.256 | S | S | * | . | trans | -93.3 | -8.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | W109 N112 | W109-A114 PolarHBondContact O-N 3.22Å; N112-A114 PolarHBondContact O-N 2.94Å; N112-A114 VanDerWaalsContact O-N 3.13Å; N112-A114 VanDerWaalsContact OD1-CB 3.25Å; N112-A114 WeakPolarHBondContact OD1-CB 3.4Å; N112-A114 PolarHBondContact OD1-N 3.12Å | ||
| 115 | Q | 96 | Very high | 95.5 | Very high | 124 Ų | 124 | 49.9 Ų | 49.9 | 58% | 0.579 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 108.7 | -177.2 | -59.3 | 177 | 2.8 | 0 | 0 | 109.7 | Y108 W109 | Y108-Q115 CarbonylContact C-O 3.6Å; Y108-Q115 WeakPolarHBondContact CA-O 3.03Å; W109-Q115 HydrophobicContact CB-CB 4.3Å; W109-Q115 PolarHBondContact N-O 3.4Å; W109-Q115 WeakPolarHBondContact O-CB 3.31Å; W109-Q115 PolarHBondContact O-N 3.39Å; W109-Q115 VanDerWaalsContact O-N 3.1Å |
| 116 | Y | 95.9 | Very high | 95.5 | Very high | 106 Ų | 106 | 49.6 Ų | 49.6 | 42% | 0.416 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 130.7 | 169.8 | 175.8 | -92.5 | 0 | 0 | 0 | 109.8 | G107 Y108 E118 K446 | G107-Y116 WeakPolarHBondContact O-CA 3.41Å; G107-Y116 WeakPolarHBondContact O-CD2 3.45Å; Y108-Y116 HydrophobicContact CE1-CD2 4.41Å; Y116-E118 HydrophobicContact CE1-CB 4.47Å; Y116-K446 PolarHBondContact OH-O 3.46Å |
| 117 | R | 92.3 | Very high | 95.5 | Very high | 77 Ų | 77 | 49.7 Ų | 49.7 | 29% | 0.291 | 28% | 0.275 | S | S | . | . | trans | -142 | 125.6 | 176.7 | -170.5 | -171.9 | 72.9 | 171.8 | 10.5 | 110.5 | G107 W109 F232 N233 | G107-R117 PolarHBondContact O-N 2.99Å; W109-R117 VanDerWaalsContact CD1-CB 3.45Å; W109-R117 HydrophobicContact CG-CB 4.32Å; W109-R117 PolarHBondContact NE1-O 3.35Å; R117-F232 PolarHBondContact NH2-O 2.96Å; R117-N233 PolarHBondContact NH1-OD1 3.43Å | ||
| 118 | E | 92.6 | Very high | 95.5 | Very high | 59 Ų | 59 | 51.9 Ų | 51.9 | 28% | 0.276 | 29% | 0.29 | S | S | . | . | trans | -86 | 136.4 | 174.1 | -164 | 177.5 | 97.5 | 0 | 0 | 110.8 | Y116 G449 E451 | Y116-E118 HydrophobicContact CE1-CB 4.47Å; E118-G449 CarbonylContact C-O 3.47Å; E118-G449 VanDerWaalsContact CA-O 3.31Å; E118-G449 WeakPolarHBondContact CA-O 3.44Å; E118-E451 HydrophobicContact CG-CB 4.16Å; E118-E451 WeakPolarHBondContact OE1-CB 3.22Å | ||
| 119 | S | 94.4 | Very high | 95.4 | Very high | 10 Ų | 10 | 53 Ų | 53 | 7% | 0.07 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 144.8 | 173.6 | -47.5 | 0 | 0 | 0 | 0 | 110.2 | T235 G449 Y450 E451 | S119-T235 VanDerWaalsContact CB-CG2 3.46Å; S119-G449 PolarHBondContact N-O 3.15Å; S119-Y450 CarbonylContact O-C 3.23Å; S119-Y450 WeakPolarHBondContact O-CA 3.3Å; S119-Y450 WeakPolarHBondContact O-CB 3.46Å; S119-E451 PolarHBondContact O-N 3.33Å |
| 120 | V | 95.9 | Very high | 95.5 | Very high | 31 Ų | 31 | 54.1 Ų | 54.1 | 19% | 0.188 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 123.3 | -177.2 | -177.4 | 0 | 0 | 0 | 0 | 110.7 | R122 T235 E451 A453 L456 Q464 | V120-R122 HydrophobicContact CG1-CG 4.38Å; V120-T235 PolarHBondContact O-OG1 2.87Å; V120-E451 CarbonylContact C-O 3.53Å; V120-E451 WeakPolarHBondContact CA-O 3.38Å; V120-A453 HydrophobicContact CG1-CB 3.82Å; V120-L456 HydrophobicContact CG1-CD1 4.24Å; V120-Q464 HydrophobicContact CG1-CG 4.41Å |
| 121 | R | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 128.2 | 168.5 | -65.9 | -173.6 | 171.2 | 168.3 | -1.3 | 109.2 | E222 I236 Y238 D397 Y450 E451 Y452 A453 | R121-E222 IonicContact CZ-OE1 3.62Å; R121-E222 IonicContact NE-OE1 2.69Å; R121-E222 PolarHBondContact NE-OE1 2.82Å; R121-E222 VanDerWaalsContact NE-OE1 3.13Å; R121-E222 IonicContact NH2-OE1 4Å; R121-E222 PolarHBondContact NH2-OE1 3.17Å; R121-I236 VanDerWaalsContact CD-O 3.28Å; R121-I236 WeakPolarHBondContact CD-O 3.29Å; R121-I236 WeakPolarHBondContact CG-O 3.45Å; R121-Y238 HydrophobicContact CB-CD1 4.46Å; R121-Y238 WeakPolarHBondContact O-CE1 3.48Å; R121-D397 IonicContact NH1-OD2 3.42Å; R121-Y450 HydrophobicContact CG-CD2 4.39Å; R121-E451 PolarHBondContact N-O 3.16Å; R121-Y452 HydrophobicContact CB-CD1 3.74Å; R121-Y452 HydrophobicContact CB-CE1 3.7Å; R121-Y452 HydrophobicContact CG-CE1 4.29Å; R121-Y452 PolarHBondContact NH1-OH 2.99Å; R121-Y452 VanDerWaalsContact NH1-OH 3.08Å; R121-A453 PolarHBondContact O-N 2.88Å |
| 122 | R | 97.1 | Very high | 96 | Very high | 34 Ų | 34 | 52.1 Ų | 52.1 | 13% | 0.128 | 29% | 0.285 | C | S | . | . | trans | -111.5 | 157.3 | -174.3 | -59.5 | 179.2 | 72.6 | -173.4 | 1.3 | 111.2 | V120 I124 M127 E131 P237 Y238 A453 | V120-R122 HydrophobicContact CG1-CG 4.38Å; R122-I124 PolarHBondContact O-N 3.46Å; R122-M127 HydrophobicContact CB-CG 3.87Å; R122-M127 HydrophobicContact CB-SD 4.09Å; R122-E131 IonicContact CZ-OE1 3.05Å; R122-E131 VanDerWaalsContact NH1-CD 3.28Å; R122-E131 IonicContact NH1-OE1 3.84Å; R122-E131 PolarHBondContact NH1-OE1 2.91Å; R122-E131 IonicContact NH1-OE2 2.78Å; R122-E131 PolarHBondContact NH1-OE2 2.89Å; R122-E131 VanDerWaalsContact NH1-OE2 3.1Å; R122-P237 VanDerWaalsContact O-CA 3.28Å; R122-P237 WeakPolarHBondContact O-CA 3.16Å; R122-P237 VanDerWaalsContact O-CB 3.22Å; R122-P237 WeakPolarHBondContact O-CB 3.03Å; R122-Y238 VanDerWaalsContact C-CD1 3.49Å; R122-Y238 VanDerWaalsContact O-CD1 3.28Å; R122-Y238 WeakPolarHBondContact O-CD1 3.45Å; R122-Y238 PolarHBondContact O-N 3.48Å; R122-A453 HydrophobicContact CG-CB 4.36Å | ||
| 123 | N | 98.2 | Very high | 96.1 | Very high | 22 Ų | 22 | 52.9 Ų | 52.9 | 12% | 0.118 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -71.3 | 121.8 | 171.6 | -174.6 | -23.5 | 0 | 0 | 0 | 108.3 | M125 T126 M127 Y238 D240 | N123-M125 PolarHBondContact O-N 3.23Å; N123-M125 VanDerWaalsContact O-N 3.12Å; N123-M125 WeakPolarHBondContact OD1-CB 3.34Å; N123-M125 PolarHBondContact OD1-N 2.76Å; N123-T126 HydrophobicContact CB-CG2 4.32Å; N123-T126 PolarHBondContact O-N 2.61Å; N123-T126 PolarHBondContact O-OG1 3.43Å; N123-M127 PolarHBondContact O-N 2.54Å; N123-Y238 WeakPolarHBondContact CA-O 3.33Å; N123-Y238 HydrophobicContact CB-CD2 4.24Å; N123-Y238 HydrophobicContact CB-CE1 4.31Å; N123-Y238 HydrophobicContact CB-CE2 3.55Å; N123-Y238 VanDerWaalsContact N-CE1 3.27Å; N123-D240 WeakPolarHBondContact ND2-CB 3.15Å |
| 124 | I | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -56.4 | -31.8 | -178.2 | -165 | 167.5 | 0 | 0 | 0 | 112.7 | R122 T126 M127 Q132 F135 P237 Y238 W239 V249 L254 M255 L391 | R122-I124 PolarHBondContact O-N 3.46Å; I124-T126 PolarHBondContact O-N 3.1Å; I124-M127 HydrophobicContact CB-SD 4.44Å; I124-M127 HydrophobicContact CG1-SD 4.45Å; I124-M127 PolarHBondContact O-N 3.27Å; I124-Q132 HydrophobicContact CG1-CG 4.25Å; I124-Q132 PolarHBondContact O-NE2 2.9Å; I124-F135 HydrophobicContact CD1-CD1 4.13Å; I124-F135 HydrophobicContact CD1-CE1 4.39Å; I124-P237 HydrophobicContact CB-CB 4.14Å; I124-P237 HydrophobicContact CB-CG 4.33Å; I124-P237 HydrophobicContact CD1-CG 4.23Å; I124-P237 HydrophobicContact CG1-CG 4.4Å; I124-Y238 PolarHBondContact N-O 3.27Å; I124-W239 HydrophobicContact CG2-CB 4.31Å; I124-V249 HydrophobicContact CG2-CG1 3.86Å; I124-L254 HydrophobicContact CD1-CD2 4.01Å; I124-L254 HydrophobicContact CG1-CD2 4.07Å; I124-M255 HydrophobicContact CD1-CE 3.24Å; I124-L391 HydrophobicContact CB-CD2 4.37Å; I124-L391 HydrophobicContact CD1-CD1 4.06Å; I124-L391 HydrophobicContact CD1-CD2 3.85Å; I124-L391 HydrophobicContact CG2-CD1 4.13Å; I124-L391 HydrophobicContact CG2-CD2 4.43Å |
| 125 | M | 96.6 | Very high | 96.3 | Very high | 79 Ų | 79 | 53.3 Ų | 53.3 | 39% | 0.389 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -68.4 | -17.9 | 179.5 | -58.5 | -56.3 | -68.7 | 0 | 0 | 113.3 | N123 E248 V249 L254 | N123-M125 PolarHBondContact O-N 3.23Å; N123-M125 VanDerWaalsContact O-N 3.12Å; N123-M125 WeakPolarHBondContact OD1-CB 3.34Å; N123-M125 PolarHBondContact OD1-N 2.76Å; M125-E248 HydrophobicContact CE-CB 3.96Å; M125-E248 HydrophobicContact SD-CB 4.5Å; M125-V249 HydrophobicContact SD-CG1 3.72Å; M125-L254 HydrophobicContact SD-CD1 4.02Å |
| 126 | T | 94.6 | Very high | 96.4 | Very high | 93 Ų | 93 | 48.3 Ų | 48.3 | 57% | 0.571 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -110.6 | -4.7 | -177.7 | 64.2 | 0 | 0 | 0 | 0 | 113.6 | N123 I124 | N123-T126 HydrophobicContact CB-CG2 4.32Å; N123-T126 PolarHBondContact O-N 2.61Å; N123-T126 PolarHBondContact O-OG1 3.43Å; I124-T126 PolarHBondContact O-N 3.1Å |
| 127 | M | 95.1 | Very high | 96.5 | Very high | 26 Ų | 26 | 46.6 Ų | 46.6 | 13% | 0.128 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -72 | 155.3 | 176.7 | -73 | 167.7 | 66.4 | 0 | 0 | 110.9 | R122 N123 I124 E131 Q132 P237 | R122-M127 HydrophobicContact CB-CG 3.87Å; R122-M127 HydrophobicContact CB-SD 4.09Å; N123-M127 PolarHBondContact O-N 2.54Å; I124-M127 HydrophobicContact CB-SD 4.44Å; I124-M127 HydrophobicContact CG1-SD 4.45Å; I124-M127 PolarHBondContact O-N 3.27Å; M127-E131 HydrophobicContact CB-CB 4.2Å; M127-E131 HydrophobicContact CE-CB 3.57Å; M127-Q132 HydrophobicContact CB-CG 4.02Å; M127-Q132 PolarHBondContact O-NE2 3.13Å; M127-P237 HydrophobicContact CE-CB 4.34Å; M127-P237 HydrophobicContact SD-CB 3.5Å; M127-P237 VanDerWaalsContact SD-CB 3.5Å; M127-P237 HydrophobicContact SD-CG 4.16Å |
| 128 | S | 95.8 | Very high | 96.8 | Very high | 53 Ų | 53 | 45.1 Ų | 45.1 | 37% | 0.371 | 25% | 0.249 | S | C | . | . | trans | -65.1 | 155.8 | 172.4 | 66.6 | 0 | 0 | 0 | 0 | 111.1 | A130 E131 Q132 | S128-A130 PolarHBondContact O-N 3.04Å; S128-E131 WeakPolarHBondContact CB-OE2 3.31Å; S128-E131 PolarHBondContact N-OE2 2.92Å; S128-E131 PolarHBondContact O-N 3.05Å; S128-E131 VanDerWaalsContact O-N 3.12Å; S128-E131 VanDerWaalsContact OG-CG 3.24Å; S128-E131 WeakPolarHBondContact OG-CG 3.41Å; S128-E131 PolarHBondContact OG-N 3.32Å; S128-E131 PolarHBondContact OG-OE2 2.87Å; S128-Q132 WeakPolarHBondContact O-CG 3.43Å; S128-Q132 PolarHBondContact O-N 2.66Å | ||
| 129 | T | 95.4 | Very high | 97.1 | Very high | 90 Ų | 90 | 42.3 Ų | 42.3 | 55% | 0.552 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -57.1 | -35.5 | 176 | -53.3 | 0 | 0 | 0 | 0 | 112.2 | Q132 Q133 | T129-Q132 PolarHBondContact O-N 3.47Å; T129-Q133 HydrophobicContact CG2-CG 4.39Å; T129-Q133 WeakPolarHBondContact O-CB 3.45Å; T129-Q133 VanDerWaalsContact O-CG 3.25Å; T129-Q133 WeakPolarHBondContact O-CG 3.1Å; T129-Q133 PolarHBondContact O-N 3.47Å |
| 130 | A | 96.3 | Very high | 97.3 | Very high | 65 Ų | 65 | 44 Ų | 44 | 54% | 0.537 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.6 | -43.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | S128 Q133 K134 | S128-A130 PolarHBondContact O-N 3.04Å; A130-Q133 PolarHBondContact O-N 2.94Å; A130-K134 WeakPolarHBondContact O-CB 3.48Å; A130-K134 PolarHBondContact O-N 2.8Å |
| 131 | E | 96.8 | Very high | 97.5 | Very high | 36 Ų | 36 | 45.9 Ų | 45.9 | 17% | 0.168 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.3 | -39.5 | 176.3 | -69.1 | 168.2 | 107.5 | 0 | 0 | 112.1 | R122 M127 S128 K134 F135 | R122-E131 IonicContact CZ-OE1 3.05Å; R122-E131 VanDerWaalsContact NH1-CD 3.28Å; R122-E131 IonicContact NH1-OE1 3.84Å; R122-E131 PolarHBondContact NH1-OE1 2.91Å; R122-E131 IonicContact NH1-OE2 2.78Å; R122-E131 PolarHBondContact NH1-OE2 2.89Å; R122-E131 VanDerWaalsContact NH1-OE2 3.1Å; M127-E131 HydrophobicContact CB-CB 4.2Å; M127-E131 HydrophobicContact CE-CB 3.57Å; S128-E131 WeakPolarHBondContact CB-OE2 3.31Å; S128-E131 PolarHBondContact N-OE2 2.92Å; S128-E131 PolarHBondContact O-N 3.05Å; S128-E131 VanDerWaalsContact O-N 3.12Å; S128-E131 VanDerWaalsContact OG-CG 3.24Å; S128-E131 WeakPolarHBondContact OG-CG 3.41Å; S128-E131 PolarHBondContact OG-N 3.32Å; S128-E131 PolarHBondContact OG-OE2 2.87Å; E131-K134 PolarHBondContact O-N 3.05Å; E131-F135 PolarHBondContact O-N 2.88Å |
| 132 | Q | 98.1 | Very high | 97.5 | Very high | 25 Ų | 25 | 45.9 Ų | 45.9 | 12% | 0.117 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.6 | -48.6 | 174.3 | -71.1 | 171.9 | -11.8 | 0 | 0 | 111.1 | I124 M127 S128 T129 K134 F135 I136 L254 | I124-Q132 HydrophobicContact CG1-CG 4.25Å; I124-Q132 PolarHBondContact O-NE2 2.9Å; M127-Q132 HydrophobicContact CB-CG 4.02Å; M127-Q132 PolarHBondContact O-NE2 3.13Å; S128-Q132 WeakPolarHBondContact O-CG 3.43Å; S128-Q132 PolarHBondContact O-N 2.66Å; T129-Q132 PolarHBondContact O-N 3.47Å; Q132-K134 VanDerWaalsContact C-N 3.33Å; Q132-K134 PolarHBondContact O-N 2.98Å; Q132-F135 PolarHBondContact O-N 2.63Å; Q132-I136 WeakPolarHBondContact O-CD1 3.38Å; Q132-I136 WeakPolarHBondContact O-CG1 3.48Å; Q132-I136 PolarHBondContact O-N 2.76Å; Q132-I136 VanDerWaalsContact O-N 3.09Å; Q132-L254 HydrophobicContact CB-CD2 3.93Å; Q132-L254 HydrophobicContact CG-CD2 3.8Å |
| 133 | Q | 97.6 | Very high | 97.6 | Very high | 112 Ų | 112 | 45.1 Ų | 45.1 | 52% | 0.523 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.7 | -37.9 | 176.7 | -74.5 | 175.4 | -11 | 0 | 0 | 112.2 | T129 A130 I136 S137 | T129-Q133 HydrophobicContact CG2-CG 4.39Å; T129-Q133 WeakPolarHBondContact O-CB 3.45Å; T129-Q133 VanDerWaalsContact O-CG 3.25Å; T129-Q133 WeakPolarHBondContact O-CG 3.1Å; T129-Q133 PolarHBondContact O-N 3.47Å; A130-Q133 PolarHBondContact O-N 2.94Å; Q133-I136 PolarHBondContact O-N 2.82Å; Q133-S137 VanDerWaalsContact O-CB 3.28Å; Q133-S137 WeakPolarHBondContact O-CB 3.16Å; Q133-S137 PolarHBondContact O-N 2.67Å; Q133-S137 PolarHBondContact O-OG 3.38Å |
| 134 | K | 98.2 | Very high | 97.6 | Very high | 76 Ų | 76 | 49.6 Ų | 49.6 | 33% | 0.33 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.2 | -48.8 | 174 | -174.2 | 179.3 | 72.4 | 163.3 | 0 | 110.9 | A130 E131 Q132 I136 S137 Y138 D231 | A130-K134 WeakPolarHBondContact O-CB 3.48Å; A130-K134 PolarHBondContact O-N 2.8Å; E131-K134 PolarHBondContact O-N 3.05Å; Q132-K134 VanDerWaalsContact C-N 3.33Å; Q132-K134 PolarHBondContact O-N 2.98Å; K134-I136 PolarHBondContact O-N 3.29Å; K134-S137 PolarHBondContact O-N 3.12Å; K134-Y138 HydrophobicContact CD-CE2 3.99Å; K134-Y138 HydrophobicContact CG-CD1 4.29Å; K134-Y138 HydrophobicContact CG-CD2 4.25Å; K134-Y138 HydrophobicContact CG-CE1 3.91Å; K134-Y138 HydrophobicContact CG-CE2 3.84Å; K134-Y138 HydrophobicContact CG-CG 4.46Å; K134-Y138 WeakPolarHBondContact O-CB 3.2Å; K134-Y138 WeakPolarHBondContact O-CD1 3.25Å; K134-Y138 PolarHBondContact O-N 3.48Å; K134-D231 IonicContact NZ-OD2 3.88Å; K134-D231 PolarHBondContact NZ-OD2 3.18Å |
| 135 | F | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.009 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.6 | -51.4 | 177.5 | 176.1 | -106.6 | 0 | 0 | 0 | 111.7 | I124 E131 Q132 S137 Y138 L139 F234 P237 M255 L390 L391 | I124-F135 HydrophobicContact CD1-CD1 4.13Å; I124-F135 HydrophobicContact CD1-CE1 4.39Å; E131-F135 PolarHBondContact O-N 2.88Å; Q132-F135 PolarHBondContact O-N 2.63Å; F135-S137 VanDerWaalsContact C-N 3.32Å; F135-S137 PolarHBondContact O-N 2.94Å; F135-Y138 PolarHBondContact O-N 3.04Å; F135-L139 HydrophobicContact CD1-CD1 4.31Å; F135-L139 HydrophobicContact CE1-CD1 3.58Å; F135-L139 HydrophobicContact CE1-CG 4.19Å; F135-L139 HydrophobicContact CE2-CD1 4.24Å; F135-L139 HydrophobicContact CE2-CD2 4.04Å; F135-L139 HydrophobicContact CE2-CG 4.16Å; F135-L139 HydrophobicContact CZ-CD1 3.56Å; F135-L139 HydrophobicContact CZ-CD2 4.12Å; F135-L139 HydrophobicContact CZ-CG 3.97Å; F135-L139 WeakPolarHBondContact O-CG 3.34Å; F135-L139 PolarHBondContact O-N 3.28Å; F135-F234 AromaticContact CD2-CE2 3.76Å; F135-F234 HydrophobicContact CD2-CE2 3.76Å; F135-F234 AromaticContact CD2-CZ 3.79Å; F135-F234 HydrophobicContact CD2-CZ 3.79Å; F135-F234 HydrophobicContact CE2-CE2 4.46Å; F135-F234 HydrophobicContact CE2-CZ 4.04Å; F135-P237 HydrophobicContact CD1-CG 4.18Å; F135-P237 HydrophobicContact CD2-CG 3.89Å; F135-P237 HydrophobicContact CE1-CG 4.25Å; F135-P237 HydrophobicContact CE2-CG 4Å; F135-P237 HydrophobicContact CG-CG 4Å; F135-P237 HydrophobicContact CZ-CG 4.15Å; F135-M255 HydrophobicContact CD1-CE 3.71Å; F135-M255 HydrophobicContact CE1-CE 3.46Å; F135-M255 VanDerWaalsContact CE1-CE 3.46Å; F135-M255 HydrophobicContact CE1-SD 4.32Å; F135-L390 HydrophobicContact CZ-CD1 4.3Å; F135-L391 HydrophobicContact CE1-CD2 4.01Å; F135-L391 HydrophobicContact CZ-CD2 4.13Å |
| 136 | I | 98.6 | Very high | 97.6 | Very high | 18 Ų | 18 | 52 Ų | 52 | 9% | 0.092 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 179.1 | -63.3 | 159.1 | 0 | 0 | 0 | 111.2 | Q132 Q133 K134 Y138 L139 N140 A253 L254 M255 V271 F272 | Q132-I136 WeakPolarHBondContact O-CD1 3.38Å; Q132-I136 WeakPolarHBondContact O-CG1 3.48Å; Q132-I136 PolarHBondContact O-N 2.76Å; Q132-I136 VanDerWaalsContact O-N 3.09Å; Q133-I136 PolarHBondContact O-N 2.82Å; K134-I136 PolarHBondContact O-N 3.29Å; I136-Y138 VanDerWaalsContact C-N 3.33Å; I136-Y138 PolarHBondContact O-N 3.21Å; I136-L139 PolarHBondContact O-N 2.98Å; I136-N140 PolarHBondContact O-N 2.7Å; I136-A253 WeakPolarHBondContact CD1-O 3.41Å; I136-L254 WeakPolarHBondContact CD1-O 3.42Å; I136-M255 HydrophobicContact CG1-CE 4.49Å; I136-V271 HydrophobicContact CG2-CG2 3.7Å; I136-F272 HydrophobicContact CB-CZ 4.47Å; I136-F272 HydrophobicContact CG1-CE2 4.46Å; I136-F272 HydrophobicContact CG1-CZ 4.46Å; I136-F272 HydrophobicContact CG2-CE2 4Å; I136-F272 HydrophobicContact CG2-CZ 3.85Å |
| 137 | S | 98.5 | Very high | 97.8 | Very high | 70 Ų | 70 | 47.6 Ų | 47.6 | 49% | 0.49 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64 | -38.9 | 178.8 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | Q133 K134 F135 N140 L141 | Q133-S137 VanDerWaalsContact O-CB 3.28Å; Q133-S137 WeakPolarHBondContact O-CB 3.16Å; Q133-S137 PolarHBondContact O-N 2.67Å; Q133-S137 PolarHBondContact O-OG 3.38Å; K134-S137 PolarHBondContact O-N 3.12Å; F135-S137 VanDerWaalsContact C-N 3.32Å; F135-S137 PolarHBondContact O-N 2.94Å; S137-N140 PolarHBondContact O-N 3.32Å; S137-L141 WeakPolarHBondContact O-CB 3.28Å; S137-L141 PolarHBondContact O-N 2.99Å |
| 138 | Y | 98.8 | Very high | 97.7 | Very high | 46 Ų | 46 | 49.8 Ų | 49.8 | 18% | 0.18 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.3 | -38.6 | 177.9 | -74.2 | 5.3 | 0 | 0 | 0 | 112.2 | K134 F135 I136 N140 L141 A142 I225 T229 D231 F234 | K134-Y138 HydrophobicContact CD-CE2 3.99Å; K134-Y138 HydrophobicContact CG-CD1 4.29Å; K134-Y138 HydrophobicContact CG-CD2 4.25Å; K134-Y138 HydrophobicContact CG-CE1 3.91Å; K134-Y138 HydrophobicContact CG-CE2 3.84Å; K134-Y138 HydrophobicContact CG-CG 4.46Å; K134-Y138 WeakPolarHBondContact O-CB 3.2Å; K134-Y138 WeakPolarHBondContact O-CD1 3.25Å; K134-Y138 PolarHBondContact O-N 3.48Å; F135-Y138 PolarHBondContact O-N 3.04Å; I136-Y138 VanDerWaalsContact C-N 3.33Å; I136-Y138 PolarHBondContact O-N 3.21Å; Y138-N140 VanDerWaalsContact C-N 3.33Å; Y138-L141 PolarHBondContact O-N 3.27Å; Y138-A142 WeakPolarHBondContact O-CB 3.39Å; Y138-A142 PolarHBondContact O-N 2.88Å; Y138-I225 HydrophobicContact CD2-CG2 4.12Å; Y138-I225 HydrophobicContact CG-CG2 4.44Å; Y138-T229 HydrophobicContact CD1-CG2 3.64Å; Y138-T229 HydrophobicContact CD2-CG2 3.59Å; Y138-T229 HydrophobicContact CE1-CG2 3.82Å; Y138-T229 HydrophobicContact CE2-CG2 3.79Å; Y138-T229 HydrophobicContact CG-CG2 3.52Å; Y138-D231 HydrophobicContact CE2-CB 3.79Å; Y138-D231 VanDerWaalsContact OH-CB 3.26Å; Y138-D231 WeakPolarHBondContact OH-CB 3.39Å; Y138-D231 PolarHBondContact OH-OD2 3.23Å; Y138-F234 HydrophobicContact CD2-CB 4.48Å; Y138-F234 AromaticContact CD2-CD2 3.42Å; Y138-F234 HydrophobicContact CD2-CD2 3.42Å; Y138-F234 VanDerWaalsContact CD2-CD2 3.42Å; Y138-F234 AromaticContact CD2-CE2 3.72Å; Y138-F234 HydrophobicContact CD2-CE2 3.72Å; Y138-F234 HydrophobicContact CD2-CG 4.01Å; Y138-F234 HydrophobicContact CE2-CB 4.3Å; Y138-F234 AromaticContact CE2-CD2 3.87Å; Y138-F234 HydrophobicContact CE2-CD2 3.87Å; Y138-F234 HydrophobicContact CE2-CG 4.31Å |
| 139 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 171.6 | -64.9 | -167.1 | 0 | 0 | 0 | 111.2 | F135 I136 A142 K143 Y175 I225 F272 W275 P387 L390 | F135-L139 HydrophobicContact CD1-CD1 4.31Å; F135-L139 HydrophobicContact CE1-CD1 3.58Å; F135-L139 HydrophobicContact CE1-CG 4.19Å; F135-L139 HydrophobicContact CE2-CD1 4.24Å; F135-L139 HydrophobicContact CE2-CD2 4.04Å; F135-L139 HydrophobicContact CE2-CG 4.16Å; F135-L139 HydrophobicContact CZ-CD1 3.56Å; F135-L139 HydrophobicContact CZ-CD2 4.12Å; F135-L139 HydrophobicContact CZ-CG 3.97Å; F135-L139 WeakPolarHBondContact O-CG 3.34Å; F135-L139 PolarHBondContact O-N 3.28Å; I136-L139 PolarHBondContact O-N 2.98Å; L139-A142 PolarHBondContact O-N 2.81Å; L139-K143 WeakPolarHBondContact O-CB 3.28Å; L139-K143 PolarHBondContact O-N 3.28Å; L139-Y175 HydrophobicContact CD2-CD2 4.43Å; L139-Y175 HydrophobicContact CD2-CE2 4.27Å; L139-I225 HydrophobicContact CD2-CD1 3.92Å; L139-F272 HydrophobicContact CB-CE1 4.35Å; L139-F272 HydrophobicContact CD1-CE1 4.42Å; L139-F272 HydrophobicContact CD1-CZ 4.29Å; L139-W275 HydrophobicContact CB-CH2 4.14Å; L139-W275 HydrophobicContact CB-CZ2 4.34Å; L139-P387 HydrophobicContact CD1-CB 3.67Å; L139-L390 HydrophobicContact CD1-CD1 4.21Å; L139-L390 HydrophobicContact CD2-CD1 3.55Å |
| 140 | N | 98.6 | Very high | 97.8 | Very high | 46 Ų | 46 | 44.7 Ų | 44.7 | 25% | 0.246 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.6 | -37.3 | 177.6 | -166.2 | 58.5 | 0 | 0 | 0 | 112.3 | I136 S137 Y138 K143 N144 V271 W275 | I136-N140 PolarHBondContact O-N 2.7Å; S137-N140 PolarHBondContact O-N 3.32Å; Y138-N140 VanDerWaalsContact C-N 3.33Å; N140-K143 PolarHBondContact O-N 2.88Å; N140-N144 PolarHBondContact O-N 3.03Å; N140-N144 PolarHBondContact O-ND2 3.09Å; N140-N144 PolarHBondContact OD1-ND2 3.48Å; N140-V271 HydrophobicContact CB-CG2 4.28Å; N140-W275 PolarHBondContact OD1-NE1 3.44Å; N140-W275 VanDerWaalsContact OD1-NE1 3.08Å |
| 141 | L | 98.7 | Very high | 97.7 | Very high | 71 Ų | 71 | 41.6 Ų | 41.6 | 37% | 0.372 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.9 | -48.1 | 171.2 | -179.6 | 67.1 | 0 | 0 | 0 | 110.7 | S137 Y138 K143 N144 T145 I228 T229 | S137-L141 WeakPolarHBondContact O-CB 3.28Å; S137-L141 PolarHBondContact O-N 2.99Å; Y138-L141 PolarHBondContact O-N 3.27Å; L141-K143 VanDerWaalsContact C-N 3.31Å; L141-K143 PolarHBondContact O-N 2.91Å; L141-N144 CarbonylContact O-C 3.42Å; L141-N144 PolarHBondContact O-N 3.46Å; L141-T145 WeakPolarHBondContact CD1-OG1 3.41Å; L141-T145 VanDerWaalsContact O-CB 3.29Å; L141-T145 WeakPolarHBondContact O-CB 3.31Å; L141-T145 PolarHBondContact O-N 3.2Å; L141-T145 PolarHBondContact O-OG1 2.73Å; L141-I228 HydrophobicContact CG-CD1 4.47Å; L141-T229 HydrophobicContact CD2-CG2 3.89Å |
| 142 | A | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.2 | -40.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y138 L139 N144 T145 N173 T174 Y175 I225 I228 | Y138-A142 WeakPolarHBondContact O-CB 3.39Å; Y138-A142 PolarHBondContact O-N 2.88Å; L139-A142 PolarHBondContact O-N 2.81Å; A142-N144 PolarHBondContact O-N 3.39Å; A142-T145 PolarHBondContact O-N 2.83Å; A142-N173 PolarHBondContact O-OD1 3.28Å; A142-T174 HydrophobicContact CB-CG2 4.23Å; A142-T174 PolarHBondContact O-N 3.13Å; A142-Y175 PolarHBondContact O-N 3.35Å; A142-Y175 VanDerWaalsContact O-N 3.15Å; A142-I225 HydrophobicContact CB-CG1 4.27Å; A142-I228 HydrophobicContact CB-CD1 3.81Å |
| 143 | K | 98.4 | Very high | 97.6 | Very high | 17 Ų | 17 | 38.7 Ų | 38.7 | 7% | 0.074 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.4 | -22.5 | 176.2 | -172.3 | 63.2 | 166.2 | 172.5 | 0 | 113.5 | L139 N140 L141 N173 Y175 D176 W275 K276 | L139-K143 WeakPolarHBondContact O-CB 3.28Å; L139-K143 PolarHBondContact O-N 3.28Å; N140-K143 PolarHBondContact O-N 2.88Å; L141-K143 VanDerWaalsContact C-N 3.31Å; L141-K143 PolarHBondContact O-N 2.91Å; K143-N173 WeakPolarHBondContact CA-OD1 3.37Å; K143-N173 WeakPolarHBondContact O-CB 2.94Å; K143-N173 PolarHBondContact O-ND2 3.19Å; K143-N173 PolarHBondContact O-OD1 3.27Å; K143-Y175 HydrophobicContact CB-CG 4.46Å; K143-Y175 HydrophobicContact CD-CD1 4.12Å; K143-Y175 HydrophobicContact CD-CG 4.26Å; K143-D176 IonicContact NZ-OD1 3.19Å; K143-D176 PolarHBondContact NZ-OD1 2.66Å; K143-D176 IonicContact NZ-OD2 3.66Å; K143-D176 PolarHBondContact NZ-OD2 2.9Å; K143-W275 HydrophobicContact CB-CD2 4.42Å; K143-W275 HydrophobicContact CB-CH2 4.05Å; K143-W275 HydrophobicContact CB-CZ2 3.57Å; K143-W275 HydrophobicContact CD-CD2 4.21Å; K143-W275 HydrophobicContact CD-CE3 4.2Å; K143-W275 HydrophobicContact CD-CZ3 4.41Å; K143-W275 HydrophobicContact CG-CD2 3.8Å; K143-W275 HydrophobicContact CG-CE3 4.25Å; K143-W275 HydrophobicContact CG-CG 4.19Å; K143-W275 HydrophobicContact CG-CH2 4.34Å; K143-W275 HydrophobicContact CG-CZ2 3.91Å; K143-K276 WeakPolarHBondContact CE-O 3.48Å; K143-K276 PolarHBondContact NZ-O 3.25Å |
| 144 | N | 98.1 | Very high | 97.5 | Very high | 116 Ų | 116 | 34.9 Ų | 34.9 | 62% | 0.62 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -112 | 5.7 | -177.5 | -68.8 | -80.4 | 0 | 0 | 0 | 113.6 | N140 L141 A142 | N140-N144 PolarHBondContact O-N 3.03Å; N140-N144 PolarHBondContact O-ND2 3.09Å; N140-N144 PolarHBondContact OD1-ND2 3.48Å; L141-N144 CarbonylContact O-C 3.42Å; L141-N144 PolarHBondContact O-N 3.46Å; A142-N144 PolarHBondContact O-N 3.39Å |
| 145 | T | 98.4 | Very high | 97.3 | Very high | 43 Ų | 43 | 31.3 Ų | 31.3 | 26% | 0.264 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -117.9 | 115.6 | -178.3 | -55.4 | 0 | 0 | 0 | 0 | 109.7 | L141 A142 N147 N173 T174 I228 | L141-T145 WeakPolarHBondContact CD1-OG1 3.41Å; L141-T145 VanDerWaalsContact O-CB 3.29Å; L141-T145 WeakPolarHBondContact O-CB 3.31Å; L141-T145 PolarHBondContact O-N 3.2Å; L141-T145 PolarHBondContact O-OG1 2.73Å; A142-T145 PolarHBondContact O-N 2.83Å; T145-N147 PolarHBondContact O-N 3.39Å; T145-N173 CarbonylContact O-C 3.43Å; T145-N173 WeakPolarHBondContact O-CA 3.47Å; T145-N173 WeakPolarHBondContact O-CB 3.16Å; T145-T174 PolarHBondContact O-N 3.28Å; T145-T174 PolarHBondContact O-OG1 3.11Å; T145-I228 HydrophobicContact CG2-CG2 4.39Å |
| 146 | I | 98.1 | Very high | 97.1 | Very high | 87 Ų | 87 | 32.4 Ų | 32.4 | 45% | 0.446 | 18% | 0.181 | S | C | . | . | B | Isolated β-bridge | trans | -54.4 | 128.1 | 171.7 | -61.1 | -56.3 | 0 | 0 | 0 | 109.1 | D171 I172 | I146-D171 HydrophobicContact CD1-CB 4.48Å; I146-D171 HydrophobicContact CG2-CB 4.33Å; I146-I172 WeakPolarHBondContact CA-O 3.42Å |
| 147 | N | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -67.2 | 125.5 | -176.6 | -177.1 | -72.5 | 0 | 0 | 0 | 109.8 | R23 T145 D149 Y150 I172 T174 L177 E224 | R23-N147 PolarHBondContact NE-O 2.94Å; R23-N147 PolarHBondContact NH2-O 3.2Å; T145-N147 PolarHBondContact O-N 3.39Å; N147-D149 VanDerWaalsContact C-N 3.27Å; N147-D149 PolarHBondContact O-N 3.34Å; N147-D149 PolarHBondContact OD1-N 2.72Å; N147-Y150 WeakPolarHBondContact CB-O 3.15Å; N147-Y150 VanDerWaalsContact O-O 3.12Å; N147-Y150 PolarHBondContact OD1-N 3.06Å; N147-Y150 PolarHBondContact OD1-O 3.33Å; N147-I172 PolarHBondContact N-O 3.43Å; N147-T174 WeakPolarHBondContact CA-OG1 3.12Å; N147-L177 HydrophobicContact CB-CD2 4.38Å; N147-E224 PolarHBondContact ND2-OE2 3.19Å | ||
| 148 | P | 94.6 | Very high | 96.6 | Very high | 72 Ų | 72 | 33.2 Ų | 33.2 | 47% | 0.468 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -73.2 | -16.5 | -171.9 | 29.3 | -35.9 | 0 | 0 | 0 | 114.3 | R23 I228 | R23-P148 WeakPolarHBondContact CD-O 3.39Å; R23-P148 PolarHBondContact NE-O 3.16Å; P148-I228 HydrophobicContact CG-CG2 4.48Å |
| 149 | D | 94.9 | Very high | 96.3 | Very high | 34 Ų | 34 | 34.7 Ų | 34.7 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -114.1 | -34.8 | -170 | -68 | -54.9 | 0 | 0 | 0 | 112.9 | P22 R23 F99 N147 K227 | P22-D149 CarbonylContact C-O 3.44Å; P22-D149 WeakPolarHBondContact CA-O 3.38Å; R23-D149 PolarHBondContact N-O 2.79Å; F99-D149 HydrophobicContact CE1-CB 3.77Å; F99-D149 HydrophobicContact CZ-CB 4.44Å; N147-D149 VanDerWaalsContact C-N 3.27Å; N147-D149 PolarHBondContact O-N 3.34Å; N147-D149 PolarHBondContact OD1-N 2.72Å; D149-K227 WeakPolarHBondContact OD2-CE 3.21Å; D149-K227 IonicContact OD2-NZ 3.38Å; D149-K227 PolarHBondContact OD2-NZ 3.02Å |
| 150 | Y | 96.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | trans | -128.9 | 166.3 | -172 | -57.5 | -78.5 | 0 | 0 | 0 | 110.7 | S19 Q20 P22 F99 N147 L177 H220 L433 | S19-Y150 CarbonylContact O-C 3.59Å; Q20-Y150 VanDerWaalsContact O-CD1 3.29Å; Q20-Y150 WeakPolarHBondContact O-CD1 3.42Å; P22-Y150 HydrophobicContact CG-CE1 4.07Å; F99-Y150 HydrophobicContact CD1-CE1 4.35Å; F99-Y150 HydrophobicContact CD1-CE2 4.47Å; F99-Y150 AromaticContact CD1-CZ 3.93Å; N147-Y150 WeakPolarHBondContact CB-O 3.15Å; N147-Y150 VanDerWaalsContact O-O 3.12Å; N147-Y150 PolarHBondContact OD1-N 3.06Å; N147-Y150 PolarHBondContact OD1-O 3.33Å; Y150-L177 HydrophobicContact CD2-CD2 4.21Å; Y150-L177 HydrophobicContact CG-CD2 4.23Å; Y150-H220 AromaticContact CE2-CE1 3.57Å; Y150-H220 AromaticContact CE2-NE2 3.82Å; Y150-H220 AromaticContact CZ-CE1 3.76Å; Y150-H220 AromaticContact CZ-NE2 3.97Å; Y150-L433 WeakPolarHBondContact CE1-O 3.28Å; Y150-L433 VanDerWaalsContact CZ-O 3.32Å; Y150-L433 PolarHBondContact OH-O 3.26Å | ||
| 151 | V | 96.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -160.5 | -155.1 | -164 | -123 | 0 | 0 | 0 | 0 | 108 | S18 S19 Q20 R23 S170 D171 L177 | S18-V151 VanDerWaalsContact C-CG1 3.42Å; S18-V151 VanDerWaalsContact CB-CG2 3.49Å; S18-V151 WeakPolarHBondContact O-CB 3.48Å; S18-V151 WeakPolarHBondContact O-CG1 3.39Å; S19-V151 VanDerWaalsContact C-N 3.29Å; S19-V151 CarbonylContact C-O 3.58Å; S19-V151 VanDerWaalsContact CA-CG2 3.46Å; S19-V151 CarbonylContact O-C 3.58Å; S19-V151 VanDerWaalsContact O-C 3.31Å; S19-V151 WeakPolarHBondContact O-CA 3.45Å; S19-V151 WeakPolarHBondContact O-CB 3.42Å; S19-V151 WeakPolarHBondContact O-CG2 3.34Å; S19-V151 PolarHBondContact O-N 2.93Å; Q20-V151 WeakPolarHBondContact CA-O 3.41Å; Q20-V151 WeakPolarHBondContact CB-O 3.34Å; Q20-V151 PolarHBondContact N-O 3.35Å; R23-V151 HydrophobicContact CB-CG2 4.38Å; R23-V151 HydrophobicContact CG-CG2 3.2Å; V151-S170 WeakPolarHBondContact CG1-O 3.46Å; V151-D171 HydrophobicContact CG1-CB 4.35Å; V151-D171 WeakPolarHBondContact CG1-OD1 3.49Å; V151-L177 VanDerWaalsContact O-CD1 3.28Å; V151-L177 WeakPolarHBondContact O-CD1 3.47Å | ||
| 152 | I | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 158.7 | 173.5 | 59.5 | 157.1 | 0 | 0 | 0 | 116 | T154 F169 S170 I172 L177 W180 T294 | I152-T154 HydrophobicContact CD1-CG2 4.18Å; I152-T154 HydrophobicContact CG1-CG2 4.42Å; I152-F169 CarbonylContact O-C 3.37Å; I152-F169 VanDerWaalsContact O-CA 3.22Å; I152-F169 WeakPolarHBondContact O-CA 3.36Å; I152-S170 WeakPolarHBondContact CG1-O 3.46Å; I152-S170 PolarHBondContact N-O 3.43Å; I152-S170 PolarHBondContact O-N 3.41Å; I152-I172 HydrophobicContact CB-CD1 4.44Å; I152-I172 HydrophobicContact CD1-CD1 4.02Å; I152-I172 HydrophobicContact CG1-CB 4.46Å; I152-I172 HydrophobicContact CG1-CD1 4.16Å; I152-I172 HydrophobicContact CG2-CB 4.23Å; I152-I172 HydrophobicContact CG2-CD1 3.47Å; I152-I172 VanDerWaalsContact CG2-CD1 3.47Å; I152-I172 HydrophobicContact CG2-CG1 4.46Å; I152-I172 HydrophobicContact CG2-CG2 4.08Å; I152-L177 HydrophobicContact CG2-CD1 4.34Å; I152-W180 HydrophobicContact CB-CD2 3.81Å; I152-W180 HydrophobicContact CB-CE3 4.32Å; I152-W180 HydrophobicContact CB-CG 4Å; I152-W180 HydrophobicContact CB-CZ2 4.4Å; I152-W180 VanDerWaalsContact CD1-CD1 3.41Å; I152-W180 HydrophobicContact CD1-CG 4.04Å; I152-W180 HydrophobicContact CG2-CB 3.76Å; I152-W180 HydrophobicContact CG2-CD2 3.47Å; I152-W180 VanDerWaalsContact CG2-CD2 3.47Å; I152-W180 HydrophobicContact CG2-CE3 3.81Å; I152-W180 HydrophobicContact CG2-CG 3.44Å; I152-W180 VanDerWaalsContact CG2-CG 3.44Å; I152-T294 HydrophobicContact CD1-CG2 3.61Å; I152-T294 HydrophobicContact CG1-CG2 4.04Å |
| 153 | S | 95.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 134.1 | 163.6 | -167.9 | 0 | 0 | 0 | 0 | 110.7 | A155 M160 W180 | S153-A155 PolarHBondContact OG-O 2.72Å; S153-M160 WeakPolarHBondContact OG-CE 3.44Å; S153-W180 WeakPolarHBondContact O-CZ2 3.05Å; S153-W180 PolarHBondContact O-NE1 3.22Å |
| 154 | T | 94.6 | Very high | 94.2 | Very high | 32 Ų | 32 | 41.5 Ų | 41.5 | 20% | 0.196 | 24% | 0.236 | C | C | . | . | trans | -110.2 | 5.6 | 175.7 | 60.5 | 0 | 0 | 0 | 0 | 112.9 | I152 M168 N293 | I152-T154 HydrophobicContact CD1-CG2 4.18Å; I152-T154 HydrophobicContact CG1-CG2 4.42Å; T154-M168 PolarHBondContact N-O 2.73Å; T154-M168 PolarHBondContact OG1-O 3Å; T154-N293 HydrophobicContact CG2-CB 4.05Å | ||
| 155 | A | 93.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -149.8 | 165.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S153 E159 M168 L291 | S153-A155 PolarHBondContact OG-O 2.72Å; A155-E159 HydrophobicContact CB-CB 3.89Å; A155-M168 HydrophobicContact CB-CB 3.68Å; A155-M168 HydrophobicContact CB-CE 3.73Å; A155-M168 HydrophobicContact CB-CG 4.15Å; A155-M168 HydrophobicContact CB-SD 3.41Å; A155-M168 WeakPolarHBondContact CB-SD 3.29Å; A155-L291 VanDerWaalsContact C-CD1 3.45Å; A155-L291 WeakPolarHBondContact O-CD1 3.28Å |
| 156 | T | 94.4 | Very high | 93.7 | Very high | 24 Ų | 24 | 43.9 Ų | 43.9 | 15% | 0.147 | 24% | 0.243 | C | C | . | . | trans | -69.4 | 161.5 | 170.8 | 63 | 0 | 0 | 0 | 0 | 111.2 | D77 A158 E159 M160 F190 | D77-T156 VanDerWaalsContact OD2-CA 3.27Å; D77-T156 WeakPolarHBondContact OD2-CA 3.11Å; D77-T156 WeakPolarHBondContact OD2-CB 3.25Å; T156-A158 PolarHBondContact O-N 3.48Å; T156-E159 WeakPolarHBondContact CB-OE2 3.36Å; T156-E159 PolarHBondContact N-OE2 3.01Å; T156-E159 PolarHBondContact O-N 3.26Å; T156-E159 WeakPolarHBondContact OG1-CG 3.48Å; T156-E159 PolarHBondContact OG1-N 3.04Å; T156-E159 PolarHBondContact OG1-OE2 3.24Å; T156-M160 PolarHBondContact O-N 3.46Å; T156-F190 HydrophobicContact CG2-CD2 4.17Å; T156-F190 HydrophobicContact CG2-CE2 4.36Å | ||
| 157 | R | 93.8 | Very high | 93.4 | Very high | 20 Ų | 20 | 41.8 Ų | 41.8 | 8% | 0.075 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -34.9 | 175.6 | -178.4 | 61.2 | -169.9 | 76 | -4.4 | 111.5 | D77 A84 F85 E159 M160 G161 E162 | D77-R157 WeakPolarHBondContact OD1-CB 3.25Å; D77-R157 PolarHBondContact OD2-N 2.89Å; A84-R157 WeakPolarHBondContact O-CD 3.4Å; A84-R157 WeakPolarHBondContact O-CG 3.48Å; A84-R157 PolarHBondContact O-NE 3.49Å; F85-R157 HydrophobicContact CE1-CB 4.05Å; F85-R157 HydrophobicContact CZ-CB 4.13Å; R157-E159 VanDerWaalsContact C-N 3.35Å; R157-M160 PolarHBondContact O-N 2.75Å; R157-G161 PolarHBondContact NH1-O 2.93Å; R157-E162 PolarHBondContact NH2-O 2.84Å |
| 158 | A | 92.8 | Very high | 93.3 | Very high | 85 Ų | 85 | 44.5 Ų | 44.5 | 70% | 0.702 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -42.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | T156 M160 G161 | T156-A158 PolarHBondContact O-N 3.48Å; A158-M160 PolarHBondContact O-N 2.84Å; A158-G161 PolarHBondContact O-N 3.12Å |
| 159 | E | 93.8 | Very high | 93.3 | Very high | 78 Ų | 78 | 41.8 Ų | 41.8 | 36% | 0.364 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -22.1 | 178.6 | -70.8 | 169.1 | 97.2 | 0 | 0 | 113.7 | A155 T156 R157 G161 M168 | A155-E159 HydrophobicContact CB-CB 3.89Å; T156-E159 WeakPolarHBondContact CB-OE2 3.36Å; T156-E159 PolarHBondContact N-OE2 3.01Å; T156-E159 PolarHBondContact O-N 3.26Å; T156-E159 WeakPolarHBondContact OG1-CG 3.48Å; T156-E159 PolarHBondContact OG1-N 3.04Å; T156-E159 PolarHBondContact OG1-OE2 3.24Å; R157-E159 VanDerWaalsContact C-N 3.35Å; E159-G161 PolarHBondContact O-N 2.91Å; E159-M168 HydrophobicContact CB-SD 4.31Å |
| 160 | M | 94.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -3.1 | 177.1 | -61.7 | -177.5 | -171.6 | 0 | 0 | 113.9 | L31 F85 S153 T156 R157 A158 G164 E165 N166 M168 F169 | L31-M160 HydrophobicContact CD1-CB 4.24Å; L31-M160 HydrophobicContact CD1-SD 3.66Å; L31-M160 HydrophobicContact CD2-SD 4.38Å; F85-M160 HydrophobicContact CE1-CE 4.44Å; F85-M160 HydrophobicContact CE1-SD 4.41Å; S153-M160 WeakPolarHBondContact OG-CE 3.44Å; T156-M160 PolarHBondContact O-N 3.46Å; R157-M160 PolarHBondContact O-N 2.75Å; A158-M160 PolarHBondContact O-N 2.84Å; M160-G164 CarbonylContact O-C 3.31Å; M160-G164 VanDerWaalsContact O-CA 3.27Å; M160-G164 WeakPolarHBondContact O-CA 3.27Å; M160-E165 PolarHBondContact O-N 3.14Å; M160-N166 VanDerWaalsContact CA-O 3.25Å; M160-N166 WeakPolarHBondContact CA-O 3.4Å; M160-N166 WeakPolarHBondContact CB-O 3.26Å; M160-N166 PolarHBondContact O-N 3.25Å; M160-N166 VanDerWaalsContact O-N 3.09Å; M160-M168 HydrophobicContact CE-CB 4.12Å; M160-M168 WeakPolarHBondContact CE-O 3.49Å; M160-M168 HydrophobicContact CG-CB 4.22Å; M160-F169 HydrophobicContact CE-CD1 4.1Å; M160-F169 HydrophobicContact CE-CE1 3.61Å; M160-F169 HydrophobicContact CE-CZ 4Å; M160-F169 HydrophobicContact SD-CE1 4.12Å; M160-F169 HydrophobicContact SD-CE2 4.46Å; M160-F169 HydrophobicContact SD-CZ 3.88Å |
| 161 | G | 91.4 | Very high | 93.3 | Very high | 20 Ų | 20 | 45 Ų | 45 | 21% | 0.206 | 25% | 0.249 | C | C | . | . | trans | 79.5 | 149.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R157 A158 E159 N163 G164 E165 | R157-G161 PolarHBondContact NH1-O 2.93Å; A158-G161 PolarHBondContact O-N 3.12Å; E159-G161 PolarHBondContact O-N 2.91Å; G161-N163 PolarHBondContact O-N 2.78Å; G161-N163 VanDerWaalsContact O-N 3.08Å; G161-G164 PolarHBondContact O-N 2.04Å; G161-E165 WeakPolarHBondContact CA-OE2 3.33Å | ||
| 162 | E | 86.2 | Confident | 93.4 | Very high | 172 Ų | 172 | 45.1 Ų | 45.1 | 80% | 0.804 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -38.2 | -172 | -68.8 | -176 | 173.8 | 0 | 0 | 113 | R157 | R157-E162 PolarHBondContact NH2-O 2.84Š|
| 163 | N | 87.2 | Confident | 93.4 | Very high | 85 Ų | 85 | 46.2 Ų | 46.2 | 46% | 0.455 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 11.2 | 179.8 | -53.3 | -63.8 | 0 | 0 | 0 | 113.7 | R32 G161 E165 | R32-N163 WeakPolarHBondContact CA-O 3.35Å; R32-N163 VanDerWaalsContact CB-O 3.25Å; R32-N163 WeakPolarHBondContact CB-O 3.33Å; R32-N163 HydrophobicContact CG-CB 4.25Å; G161-N163 PolarHBondContact O-N 2.78Å; G161-N163 VanDerWaalsContact O-N 3.08Å; N163-E165 HydrophobicContact CB-CG 4.47Å; N163-E165 WeakPolarHBondContact CB-OE1 3.42Å; N163-E165 PolarHBondContact ND2-OE1 3.17Å |
| 164 | G | 89.3 | Confident | 93.5 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | 70.4 | 32.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S28 M160 G161 N166 | S28-G164 WeakPolarHBondContact CA-O 3.35Å; S28-G164 WeakPolarHBondContact CB-O 3.04Å; S28-G164 PolarHBondContact OG-O 3.2Å; M160-G164 CarbonylContact O-C 3.31Å; M160-G164 VanDerWaalsContact O-CA 3.27Å; M160-G164 WeakPolarHBondContact O-CA 3.27Å; G161-G164 PolarHBondContact O-N 2.04Å; G164-N166 PolarHBondContact O-N 2.68Å | ||
| 165 | E | 91.9 | Very high | 93.7 | Very high | 122 Ų | 122 | 44.7 Ų | 44.7 | 57% | 0.57 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -63.2 | -23 | 179 | -59 | 100.8 | 174.5 | 0 | 0 | 112.4 | M160 G161 N163 | M160-E165 PolarHBondContact O-N 3.14Å; G161-E165 WeakPolarHBondContact CA-OE2 3.33Å; N163-E165 HydrophobicContact CB-CG 4.47Å; N163-E165 WeakPolarHBondContact CB-OE1 3.42Å; N163-E165 PolarHBondContact ND2-OE1 3.17Å |
| 166 | N | 93.3 | Very high | 94 | Very high | 87 Ų | 87 | 45.1 Ų | 45.1 | 47% | 0.465 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -126.6 | 76.6 | -178.7 | -174.2 | 38.4 | 0 | 0 | 0 | 111 | M160 G164 M168 | M160-N166 VanDerWaalsContact CA-O 3.25Å; M160-N166 WeakPolarHBondContact CA-O 3.4Å; M160-N166 WeakPolarHBondContact CB-O 3.26Å; M160-N166 PolarHBondContact O-N 3.25Å; M160-N166 VanDerWaalsContact O-N 3.09Å; G164-N166 PolarHBondContact O-N 2.68Å; N166-M168 PolarHBondContact ND2-SD 3.21Å; N166-M168 VanDerWaalsContact ND2-SD 3.36Å; N166-M168 WeakPolarHBondContact O-CG 3.48Å; N166-M168 PolarHBondContact O-N 2.7Å; N166-M168 VanDerWaalsContact O-N 3.15Å |
| 167 | P | 93.3 | Very high | 94.2 | Very high | 43 Ų | 43 | 44 Ų | 44 | 28% | 0.279 | 24% | 0.241 | S | C | . | . | trans | -66.6 | 114.4 | 179 | 27.7 | -33 | 0 | 0 | 0 | 110.2 | S28 L31 F169 | S28-P167 VanDerWaalsContact OG-CD 3.31Å; S28-P167 WeakPolarHBondContact OG-CD 3.28Å; S28-P167 WeakPolarHBondContact OG-CG 3.36Å; L31-P167 HydrophobicContact CD1-CB 4.1Å; P167-F169 HydrophobicContact CB-CD2 3.83Å; P167-F169 HydrophobicContact CB-CE2 3.88Å | ||
| 168 | M | 94.6 | Very high | 94.4 | Very high | 57 Ų | 57 | 43 Ų | 43 | 28% | 0.281 | 24% | 0.238 | S | C | . | . | trans | -107 | 85.4 | -174.9 | -68.9 | -176.8 | 75.2 | 0 | 0 | 111.3 | T154 A155 E159 M160 N166 | T154-M168 PolarHBondContact N-O 2.73Å; T154-M168 PolarHBondContact OG1-O 3Å; A155-M168 HydrophobicContact CB-CB 3.68Å; A155-M168 HydrophobicContact CB-CE 3.73Å; A155-M168 HydrophobicContact CB-CG 4.15Å; A155-M168 HydrophobicContact CB-SD 3.41Å; A155-M168 WeakPolarHBondContact CB-SD 3.29Å; E159-M168 HydrophobicContact CB-SD 4.31Å; M160-M168 HydrophobicContact CE-CB 4.12Å; M160-M168 WeakPolarHBondContact CE-O 3.49Å; M160-M168 HydrophobicContact CG-CB 4.22Å; N166-M168 PolarHBondContact ND2-SD 3.21Å; N166-M168 VanDerWaalsContact ND2-SD 3.36Å; N166-M168 WeakPolarHBondContact O-CG 3.48Å; N166-M168 PolarHBondContact O-N 2.7Å; N166-M168 VanDerWaalsContact O-N 3.15Å | ||
| 169 | F | 94.4 | Very high | 94.7 | Very high | 15 Ų | 15 | 39 Ų | 39 | 7% | 0.066 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 148.6 | -173.1 | -59.1 | -58.7 | 0 | 0 | 0 | 111.9 | S18 S19 F21 A26 L31 I152 M160 P167 | S18-F169 CarbonylContact O-C 3.5Å; S18-F169 WeakPolarHBondContact O-CB 3.45Å; S19-F169 VanDerWaalsContact CB-CB 3.45Å; S19-F169 VanDerWaalsContact CB-CE1 3.42Å; F21-F169 HydrophobicContact CD2-CD1 4.41Å; F21-F169 AromaticContact CD2-CE1 3.52Å; F21-F169 HydrophobicContact CD2-CE1 3.52Å; F21-F169 AromaticContact CD2-CZ 3.89Å; F21-F169 HydrophobicContact CD2-CZ 3.89Å; F21-F169 AromaticContact CE2-CE1 3.66Å; F21-F169 HydrophobicContact CE2-CE1 3.66Å; F21-F169 HydrophobicContact CE2-CZ 4.2Å; A26-F169 HydrophobicContact CB-CD2 4.22Å; A26-F169 VanDerWaalsContact O-CD2 3.28Å; A26-F169 WeakPolarHBondContact O-CD2 3.33Å; L31-F169 HydrophobicContact CD1-CE2 3.87Å; L31-F169 HydrophobicContact CD1-CZ 4.03Å; L31-F169 HydrophobicContact CD2-CZ 4.14Å; L31-F169 HydrophobicContact CG-CE2 4.31Å; L31-F169 HydrophobicContact CG-CZ 4.31Å; I152-F169 CarbonylContact O-C 3.37Å; I152-F169 VanDerWaalsContact O-CA 3.22Å; I152-F169 WeakPolarHBondContact O-CA 3.36Å; M160-F169 HydrophobicContact CE-CD1 4.1Å; M160-F169 HydrophobicContact CE-CE1 3.61Å; M160-F169 HydrophobicContact CE-CZ 4Å; M160-F169 HydrophobicContact SD-CE1 4.12Å; M160-F169 HydrophobicContact SD-CE2 4.46Å; M160-F169 HydrophobicContact SD-CZ 3.88Å; P167-F169 HydrophobicContact CB-CD2 3.83Å; P167-F169 HydrophobicContact CB-CE2 3.88Å |
| 170 | S | 94.9 | Very high | 94.9 | Very high | 34 Ų | 34 | 35.3 Ų | 35.3 | 24% | 0.238 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 141.2 | -176 | -169.7 | 0 | 0 | 0 | 0 | 113 | S18 V151 I152 T294 | S18-S170 CarbonylContact O-C 3.6Å; S18-S170 PolarHBondContact O-N 3.49Å; S18-S170 VanDerWaalsContact O-N 3.13Å; V151-S170 WeakPolarHBondContact CG1-O 3.46Å; I152-S170 WeakPolarHBondContact CG1-O 3.46Å; I152-S170 PolarHBondContact N-O 3.43Å; I152-S170 PolarHBondContact O-N 3.41Å; S170-T294 PolarHBondContact OG-OG1 3.45Å |
| 171 | D | 96.6 | Very high | 95.1 | Very high | 69 Ų | 69 | 35.3 Ų | 35.3 | 37% | 0.369 | 19% | 0.187 | S | C | . | . | trans | -53.4 | 132.2 | 166.6 | -82.8 | -37.1 | 0 | 0 | 0 | 112.4 | S18 R23 I146 V151 T294 | S18-D171 WeakPolarHBondContact CB-OD1 3.46Å; R23-D171 IonicContact CZ-OD1 3.72Å; R23-D171 VanDerWaalsContact CZ-OD1 3.26Å; R23-D171 IonicContact NH1-OD1 3.17Å; R23-D171 PolarHBondContact NH1-OD1 2.89Å; R23-D171 IonicContact NH2-OD1 3.43Å; R23-D171 PolarHBondContact NH2-OD1 2.95Å; I146-D171 HydrophobicContact CD1-CB 4.48Å; I146-D171 HydrophobicContact CG2-CB 4.33Å; V151-D171 HydrophobicContact CG1-CB 4.35Å; V151-D171 WeakPolarHBondContact CG1-OD1 3.49Å; D171-T294 WeakPolarHBondContact O-CG2 3.34Å | ||
| 172 | I | 97.3 | Very high | 95.4 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.015 | 18% | 0.177 | C | C | . | . | trans | -134 | 149.8 | 176.4 | -156.5 | 160.5 | 0 | 0 | 0 | 110.9 | I146 N147 I152 D176 L177 W180 I278 T294 | I146-I172 WeakPolarHBondContact CA-O 3.42Å; N147-I172 PolarHBondContact N-O 3.43Å; I152-I172 HydrophobicContact CB-CD1 4.44Å; I152-I172 HydrophobicContact CD1-CD1 4.02Å; I152-I172 HydrophobicContact CG1-CB 4.46Å; I152-I172 HydrophobicContact CG1-CD1 4.16Å; I152-I172 HydrophobicContact CG2-CB 4.23Å; I152-I172 HydrophobicContact CG2-CD1 3.47Å; I152-I172 VanDerWaalsContact CG2-CD1 3.47Å; I152-I172 HydrophobicContact CG2-CG1 4.46Å; I152-I172 HydrophobicContact CG2-CG2 4.08Å; I172-D176 HydrophobicContact CD1-CB 3.8Å; I172-D176 VanDerWaalsContact CD1-O 3.25Å; I172-D176 WeakPolarHBondContact CD1-O 3.5Å; I172-D176 HydrophobicContact CG1-CB 3.6Å; I172-L177 HydrophobicContact CG2-CB 3.84Å; I172-L177 HydrophobicContact CG2-CD1 3.91Å; I172-L177 HydrophobicContact CG2-CG 4.48Å; I172-W180 HydrophobicContact CD1-CB 3.98Å; I172-I278 HydrophobicContact CD1-CD1 4.09Å; I172-T294 HydrophobicContact CB-CG2 4.01Å; I172-T294 HydrophobicContact CD1-CG2 3.93Å; I172-T294 HydrophobicContact CG1-CG2 3.8Å | ||
| 173 | N | 98.1 | Very high | 96 | Very high | 23 Ų | 23 | 26.3 Ų | 26.3 | 12% | 0.123 | 14% | 0.14 | C | C | . | . | B | Isolated β-bridge | trans | -75.5 | 159 | 170 | 69.1 | 74.3 | 0 | 0 | 0 | 111.4 | A142 K143 T145 Y175 D176 L177 | A142-N173 PolarHBondContact O-OD1 3.28Å; K143-N173 WeakPolarHBondContact CA-OD1 3.37Å; K143-N173 WeakPolarHBondContact O-CB 2.94Å; K143-N173 PolarHBondContact O-ND2 3.19Å; K143-N173 PolarHBondContact O-OD1 3.27Å; T145-N173 CarbonylContact O-C 3.43Å; T145-N173 WeakPolarHBondContact O-CA 3.47Å; T145-N173 WeakPolarHBondContact O-CB 3.16Å; N173-Y175 VanDerWaalsContact C-N 3.26Å; N173-Y175 PolarHBondContact O-N 3.34Å; N173-Y175 PolarHBondContact OD1-N 2.86Å; N173-D176 VanDerWaalsContact ND2-CG 3.35Å; N173-D176 PolarHBondContact ND2-OD2 2.7Å; N173-D176 PolarHBondContact O-N 2.78Å; N173-D176 WeakPolarHBondContact OD1-CB 3.43Å; N173-D176 PolarHBondContact OD1-N 2.8Å; N173-L177 PolarHBondContact O-N 3.08Å |
| 174 | T | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.8 | -32.2 | -173.3 | -58.5 | 0 | 0 | 0 | 0 | 112.7 | A142 T145 N147 F178 E224 I228 | A142-T174 HydrophobicContact CB-CG2 4.23Å; A142-T174 PolarHBondContact O-N 3.13Å; T145-T174 PolarHBondContact O-N 3.28Å; T145-T174 PolarHBondContact O-OG1 3.11Å; N147-T174 WeakPolarHBondContact CA-OG1 3.12Å; T174-F178 WeakPolarHBondContact O-CD2 3.45Å; T174-E224 HydrophobicContact CG2-CB 3.86Å; T174-I228 HydrophobicContact CG2-CD1 3.98Å |
| 175 | Y | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -72.9 | -48 | 176 | -169.3 | -78.3 | 0 | 0 | 0 | 111.2 | L139 A142 K143 N173 L177 F178 V179 W221 W275 A384 P387 L390 | L139-Y175 HydrophobicContact CD2-CD2 4.43Å; L139-Y175 HydrophobicContact CD2-CE2 4.27Å; A142-Y175 PolarHBondContact O-N 3.35Å; A142-Y175 VanDerWaalsContact O-N 3.15Å; K143-Y175 HydrophobicContact CB-CG 4.46Å; K143-Y175 HydrophobicContact CD-CD1 4.12Å; K143-Y175 HydrophobicContact CD-CG 4.26Å; N173-Y175 VanDerWaalsContact C-N 3.26Å; N173-Y175 PolarHBondContact O-N 3.34Å; N173-Y175 PolarHBondContact OD1-N 2.86Å; Y175-L177 VanDerWaalsContact C-N 3.27Å; Y175-L177 PolarHBondContact O-N 2.66Å; Y175-F178 PolarHBondContact O-N 2.96Å; Y175-F178 VanDerWaalsContact O-N 3.1Å; Y175-V179 HydrophobicContact CD1-CG2 3.9Å; Y175-V179 HydrophobicContact CE1-CG2 3.76Å; Y175-V179 PolarHBondContact O-N 2.9Å; Y175-W221 AromaticContact CD1-CZ2 3.99Å; Y175-W221 HydrophobicContact CD1-CZ2 3.99Å; Y175-W221 AromaticContact CD2-CZ2 3.61Å; Y175-W221 HydrophobicContact CD2-CZ2 3.61Å; Y175-W221 HydrophobicContact CE1-CH2 4.04Å; Y175-W221 AromaticContact CE1-CZ2 3.86Å; Y175-W221 HydrophobicContact CE1-CZ2 3.86Å; Y175-W221 HydrophobicContact CE2-CH2 4.14Å; Y175-W221 AromaticContact CE2-CZ2 3.48Å; Y175-W221 HydrophobicContact CE2-CZ2 3.48Å; Y175-W221 VanDerWaalsContact CE2-CZ2 3.48Å; Y175-W221 AromaticContact CG-CZ2 3.84Å; Y175-W221 HydrophobicContact CG-CZ2 3.84Å; Y175-W221 AromaticContact CZ-CH2 3.8Å; Y175-W221 AromaticContact CZ-CZ2 3.58Å; Y175-W275 HydrophobicContact CD1-CH2 4.31Å; Y175-W275 AromaticContact CD1-CZ3 3.92Å; Y175-W275 HydrophobicContact CD1-CZ3 3.92Å; Y175-W275 AromaticContact CD2-CH2 3.58Å; Y175-W275 HydrophobicContact CD2-CH2 3.58Å; Y175-W275 AromaticContact CD2-CZ3 3.95Å; Y175-W275 HydrophobicContact CD2-CZ3 3.95Å; Y175-W275 HydrophobicContact CE1-CE3 4.49Å; Y175-W275 HydrophobicContact CE1-CH2 4.26Å; Y175-W275 AromaticContact CE1-CZ3 3.61Å; Y175-W275 HydrophobicContact CE1-CZ3 3.61Å; Y175-W275 AromaticContact CE2-CH2 3.51Å; Y175-W275 HydrophobicContact CE2-CH2 3.51Å; Y175-W275 AromaticContact CE2-CZ3 3.63Å; Y175-W275 HydrophobicContact CE2-CZ3 3.63Å; Y175-W275 HydrophobicContact CG-CH2 4.01Å; Y175-W275 HydrophobicContact CG-CZ3 4.11Å; Y175-W275 AromaticContact CZ-CH2 3.89Å; Y175-W275 AromaticContact CZ-CZ3 3.47Å; Y175-W275 VanDerWaalsContact CZ-CZ3 3.47Å; Y175-A384 VanDerWaalsContact CE1-O 3.27Å; Y175-A384 WeakPolarHBondContact CE1-O 3.19Å; Y175-A384 PolarHBondContact OH-O 3.38Å; Y175-P387 VanDerWaalsContact OH-CA 3.28Å; Y175-P387 WeakPolarHBondContact OH-CA 3.41Å; Y175-L390 HydrophobicContact CE2-CD1 4.39Å |
| 176 | D | 98.7 | Very high | 97.2 | Very high | 10 Ų | 10 | 16.9 Ų | 16.9 | 5% | 0.053 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -71.3 | -20.9 | -175.8 | -75.9 | -15.6 | 0 | 0 | 0 | 113.7 | K143 I172 N173 F178 V179 W180 I278 | K143-D176 IonicContact NZ-OD1 3.19Å; K143-D176 PolarHBondContact NZ-OD1 2.66Å; K143-D176 IonicContact NZ-OD2 3.66Å; K143-D176 PolarHBondContact NZ-OD2 2.9Å; I172-D176 HydrophobicContact CD1-CB 3.8Å; I172-D176 VanDerWaalsContact CD1-O 3.25Å; I172-D176 WeakPolarHBondContact CD1-O 3.5Å; I172-D176 HydrophobicContact CG1-CB 3.6Å; N173-D176 VanDerWaalsContact ND2-CG 3.35Å; N173-D176 PolarHBondContact ND2-OD2 2.7Å; N173-D176 PolarHBondContact O-N 2.78Å; N173-D176 WeakPolarHBondContact OD1-CB 3.43Å; N173-D176 PolarHBondContact OD1-N 2.8Å; D176-F178 PolarHBondContact O-N 3.13Å; D176-V179 PolarHBondContact O-N 3.43Å; D176-W180 WeakPolarHBondContact O-CB 3.32Å; D176-W180 PolarHBondContact O-N 3.01Å; D176-I278 HydrophobicContact CB-CD1 3.66Å; D176-I278 HydrophobicContact CB-CG1 4.42Å |
| 177 | L | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -49.8 | -48.5 | 165.8 | -179.8 | 65.4 | 0 | 0 | 0 | 110.9 | N147 Y150 V151 I152 I172 N173 Y175 W180 I181 | N147-L177 HydrophobicContact CB-CD2 4.38Å; Y150-L177 HydrophobicContact CD2-CD2 4.21Å; Y150-L177 HydrophobicContact CG-CD2 4.23Å; V151-L177 VanDerWaalsContact O-CD1 3.28Å; V151-L177 WeakPolarHBondContact O-CD1 3.47Å; I152-L177 HydrophobicContact CG2-CD1 4.34Å; I172-L177 HydrophobicContact CG2-CB 3.84Å; I172-L177 HydrophobicContact CG2-CD1 3.91Å; I172-L177 HydrophobicContact CG2-CG 4.48Å; N173-L177 PolarHBondContact O-N 3.08Å; Y175-L177 VanDerWaalsContact C-N 3.27Å; Y175-L177 PolarHBondContact O-N 2.66Å; L177-W180 PolarHBondContact O-N 2.92Å; L177-I181 HydrophobicContact CD1-CD1 4.43Å; L177-I181 HydrophobicContact CG-CD1 4.07Å; L177-I181 VanDerWaalsContact O-CG1 3.28Å; L177-I181 WeakPolarHBondContact O-CG1 3.03Å; L177-I181 PolarHBondContact O-N 3.46Å |
| 178 | F | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -76.5 | -29.7 | -177.6 | -68.3 | -83.2 | 0 | 0 | 0 | 112.7 | T174 Y175 D176 W180 I181 H182 F217 H220 W221 E224 | T174-F178 WeakPolarHBondContact O-CD2 3.45Å; Y175-F178 PolarHBondContact O-N 2.96Å; Y175-F178 VanDerWaalsContact O-N 3.1Å; D176-F178 PolarHBondContact O-N 3.13Å; F178-W180 VanDerWaalsContact C-N 3.35Å; F178-I181 HydrophobicContact CD1-CD1 4.16Å; F178-I181 HydrophobicContact CE1-CD1 4.31Å; F178-H182 WeakPolarHBondContact O-CB 3.42Å; F178-H182 PolarHBondContact O-N 2.9Å; F178-H182 VanDerWaalsContact O-N 3.1Å; F178-F217 HydrophobicContact CB-CE2 3.84Å; F178-F217 HydrophobicContact CB-CZ 3.69Å; F178-F217 HydrophobicContact CD1-CD2 4.04Å; F178-F217 AromaticContact CD1-CE2 3.69Å; F178-F217 HydrophobicContact CD1-CE2 3.69Å; F178-F217 HydrophobicContact CD1-CZ 4.15Å; F178-F217 HydrophobicContact CG-CE2 4.27Å; F178-F217 HydrophobicContact CG-CZ 4.41Å; F178-F217 WeakPolarHBondContact O-CE2 3.41Å; F178-F217 VanDerWaalsContact O-CZ 3.27Å; F178-F217 WeakPolarHBondContact O-CZ 3.44Å; F178-H220 HydrophobicContact CE1-CB 3.96Å; F178-H220 AromaticContact CE1-CD2 3.43Å; F178-H220 VanDerWaalsContact CE1-CD2 3.43Å; F178-H220 WeakPolarHBondContact CE1-CD2 3.18Å; F178-H220 AromaticContact CE1-CG 3.9Å; F178-H220 HydrophobicContact CZ-CB 4.42Å; F178-H220 AromaticContact CZ-CD2 3.63Å; F178-W221 HydrophobicContact CB-CD2 3.42Å; F178-W221 VanDerWaalsContact CB-CD2 3.42Å; F178-W221 HydrophobicContact CB-CE3 3.36Å; F178-W221 HydrophobicContact CB-CG 4.14Å; F178-W221 HydrophobicContact CB-CH2 3.63Å; F178-W221 HydrophobicContact CB-CZ2 3.66Å; F178-W221 HydrophobicContact CB-CZ3 3.49Å; F178-W221 VanDerWaalsContact CB-CZ3 3.49Å; F178-W221 HydrophobicContact CD1-CB 3.68Å; F178-W221 AromaticContact CD1-CD2 3.88Å; F178-W221 HydrophobicContact CD1-CD2 3.88Å; F178-W221 HydrophobicContact CD1-CE3 4.02Å; F178-W221 AromaticContact CD1-CG 3.78Å; F178-W221 HydrophobicContact CD1-CG 3.78Å; F178-W221 HydrophobicContact CD2-CB 4.1Å; F178-W221 AromaticContact CD2-CD1 3.38Å; F178-W221 AromaticContact CD2-CD2 3.66Å; F178-W221 HydrophobicContact CD2-CD2 3.66Å; F178-W221 AromaticContact CD2-CE2 3.69Å; F178-W221 HydrophobicContact CD2-CE3 4.44Å; F178-W221 AromaticContact CD2-CG 3.49Å; F178-W221 HydrophobicContact CD2-CG 3.49Å; F178-W221 VanDerWaalsContact CD2-CG 3.49Å; F178-W221 HydrophobicContact CD2-CZ2 4.45Å; F178-W221 AromaticContact CD2-NE1 3.51Å; F178-W221 HydrophobicContact CE1-CB 3.64Å; F178-W221 HydrophobicContact CE1-CG 4.09Å; F178-W221 HydrophobicContact CE2-CB 4.09Å; F178-W221 AromaticContact CE2-CD1 3.64Å; F178-W221 HydrophobicContact CE2-CD2 4.48Å; F178-W221 AromaticContact CE2-CG 3.85Å; F178-W221 HydrophobicContact CE2-CG 3.85Å; F178-W221 HydrophobicContact CG-CB 3.94Å; F178-W221 AromaticContact CG-CD1 3.89Å; F178-W221 AromaticContact CG-CD2 3.35Å; F178-W221 HydrophobicContact CG-CD2 3.35Å; F178-W221 AromaticContact CG-CE2 3.72Å; F178-W221 AromaticContact CG-CE3 3.68Å; F178-W221 HydrophobicContact CG-CE3 3.68Å; F178-W221 AromaticContact CG-CG 3.49Å; F178-W221 HydrophobicContact CG-CG 3.49Å; F178-W221 VanDerWaalsContact CG-CG 3.49Å; F178-W221 HydrophobicContact CG-CZ2 4.32Å; F178-W221 HydrophobicContact CG-CZ3 4.31Å; F178-W221 HydrophobicContact CZ-CB 3.89Å; F178-W221 HydrophobicContact CZ-CG 4.16Å; F178-E224 HydrophobicContact CE2-CB 3.93Å; F178-E224 HydrophobicContact CE2-CG 4.01Å; F178-E224 HydrophobicContact CZ-CB 4.06Å; F178-E224 HydrophobicContact CZ-CG 3.73Å |
| 179 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -60.6 | -47.6 | 168.1 | -179 | 0 | 0 | 0 | 0 | 110.4 | Y175 D176 H182 Y183 I278 A384 N385 | Y175-V179 HydrophobicContact CD1-CG2 3.9Å; Y175-V179 HydrophobicContact CE1-CG2 3.76Å; Y175-V179 PolarHBondContact O-N 2.9Å; D176-V179 PolarHBondContact O-N 3.43Å; V179-H182 PolarHBondContact O-N 3.21Å; V179-Y183 PolarHBondContact O-N 3.47Å; V179-I278 HydrophobicContact CB-CD1 4.29Å; V179-I278 HydrophobicContact CB-CG1 4.17Å; V179-I278 HydrophobicContact CG1-CD1 4.23Å; V179-I278 HydrophobicContact CG1-CG1 3.67Å; V179-A384 HydrophobicContact CG2-CB 4.24Å; V179-N385 VanDerWaalsContact CG1-ND2 3.29Å; V179-N385 WeakPolarHBondContact CG1-ND2 3.45Å |
| 180 | W | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 9.5 Ų | 9.5 | 1% | 0.008 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -66.6 | -39.6 | 179.8 | -173.1 | 95.9 | 0 | 0 | 0 | 112.3 | Q20 I152 S153 I172 D176 L177 F178 H182 Y183 Y184 L291 C292 P431 | Q20-W180 HydrophobicContact CB-CE3 4.37Å; Q20-W180 HydrophobicContact CB-CH2 4.33Å; Q20-W180 HydrophobicContact CB-CZ3 3.87Å; Q20-W180 HydrophobicContact CG-CE3 4.3Å; Q20-W180 HydrophobicContact CG-CH2 4.42Å; Q20-W180 HydrophobicContact CG-CZ3 3.67Å; I152-W180 HydrophobicContact CB-CD2 3.81Å; I152-W180 HydrophobicContact CB-CE3 4.32Å; I152-W180 HydrophobicContact CB-CG 4Å; I152-W180 HydrophobicContact CB-CZ2 4.4Å; I152-W180 VanDerWaalsContact CD1-CD1 3.41Å; I152-W180 HydrophobicContact CD1-CG 4.04Å; I152-W180 HydrophobicContact CG2-CB 3.76Å; I152-W180 HydrophobicContact CG2-CD2 3.47Å; I152-W180 VanDerWaalsContact CG2-CD2 3.47Å; I152-W180 HydrophobicContact CG2-CE3 3.81Å; I152-W180 HydrophobicContact CG2-CG 3.44Å; I152-W180 VanDerWaalsContact CG2-CG 3.44Å; S153-W180 WeakPolarHBondContact O-CZ2 3.05Å; S153-W180 PolarHBondContact O-NE1 3.22Å; I172-W180 HydrophobicContact CD1-CB 3.98Å; D176-W180 WeakPolarHBondContact O-CB 3.32Å; D176-W180 PolarHBondContact O-N 3.01Å; L177-W180 PolarHBondContact O-N 2.92Å; F178-W180 VanDerWaalsContact C-N 3.35Å; W180-H182 VanDerWaalsContact C-N 3.33Å; W180-H182 PolarHBondContact O-N 2.99Å; W180-Y183 WeakPolarHBondContact O-CB 3.47Å; W180-Y183 PolarHBondContact O-N 3.08Å; W180-Y184 HydrophobicContact CH2-CD1 4.11Å; W180-Y184 AromaticContact CH2-CD2 3.42Å; W180-Y184 HydrophobicContact CH2-CD2 3.42Å; W180-Y184 VanDerWaalsContact CH2-CD2 3.42Å; W180-Y184 HydrophobicContact CH2-CE1 4.5Å; W180-Y184 AromaticContact CH2-CE2 3.92Å; W180-Y184 HydrophobicContact CH2-CE2 3.92Å; W180-Y184 AromaticContact CH2-CG 3.53Å; W180-Y184 HydrophobicContact CH2-CG 3.53Å; W180-Y184 AromaticContact CZ2-CD2 3.61Å; W180-Y184 HydrophobicContact CZ2-CD2 3.61Å; W180-Y184 HydrophobicContact CZ2-CE2 4.19Å; W180-Y184 HydrophobicContact CZ2-CG 4.08Å; W180-Y184 HydrophobicContact CZ3-CD1 4.27Å; W180-Y184 HydrophobicContact CZ3-CD2 4.18Å; W180-Y184 AromaticContact CZ3-CG 3.81Å; W180-Y184 HydrophobicContact CZ3-CG 3.81Å; W180-Y184 WeakPolarHBondContact O-CB 3.45Å; W180-Y184 PolarHBondContact O-N 3.26Å; W180-L291 HydrophobicContact CZ2-CD1 4.49Å; W180-C292 PolarHBondContact NE1-O 3.27Å; W180-C292 VanDerWaalsContact NE1-O 3.16Å; W180-P431 HydrophobicContact CZ3-CG 4.07Å |
| 181 | I | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -56.6 | -47.5 | 174.5 | -76.9 | 168 | 0 | 0 | 0 | 110.8 | Q20 L177 F178 Y184 V185 W213 F217 P431 F432 | Q20-I181 VanDerWaalsContact NE2-CG1 3.29Å; L177-I181 HydrophobicContact CD1-CD1 4.43Å; L177-I181 HydrophobicContact CG-CD1 4.07Å; L177-I181 VanDerWaalsContact O-CG1 3.28Å; L177-I181 WeakPolarHBondContact O-CG1 3.03Å; L177-I181 PolarHBondContact O-N 3.46Å; F178-I181 HydrophobicContact CD1-CD1 4.16Å; F178-I181 HydrophobicContact CE1-CD1 4.31Å; I181-Y184 PolarHBondContact O-N 3.04Å; I181-V185 PolarHBondContact O-N 3.15Å; I181-W213 HydrophobicContact CG2-CH2 3.85Å; I181-W213 HydrophobicContact CG2-CZ2 3.73Å; I181-F217 HydrophobicContact CB-CE2 4.08Å; I181-F217 HydrophobicContact CG2-CD2 3.78Å; I181-F217 HydrophobicContact CG2-CE2 3.65Å; I181-P431 HydrophobicContact CG1-CG 4.22Å; I181-P431 HydrophobicContact CG2-CG 4.38Å; I181-F432 HydrophobicContact CD1-CE1 4.44Å; I181-F432 HydrophobicContact CG2-CE1 4Å; I181-F432 HydrophobicContact CG2-CZ 4.33Å |
| 182 | H | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -67.8 | -39.4 | 179.5 | -169.9 | -91.7 | 0 | 0 | 0 | 112.5 | F178 V179 W180 Y184 V185 S186 H205 W213 H214 F217 V380 S383 A384 F389 | F178-H182 WeakPolarHBondContact O-CB 3.42Å; F178-H182 PolarHBondContact O-N 2.9Å; F178-H182 VanDerWaalsContact O-N 3.1Å; V179-H182 PolarHBondContact O-N 3.21Å; W180-H182 VanDerWaalsContact C-N 3.33Å; W180-H182 PolarHBondContact O-N 2.99Å; H182-Y184 PolarHBondContact O-N 3.46Å; H182-V185 WeakPolarHBondContact O-CG2 3.48Å; H182-S186 PolarHBondContact O-N 3.41Å; H182-S186 PolarHBondContact O-OG 3.37Å; H182-H205 AromaticContact CE1-CE1 3.5Å; H182-H205 PolarHBondContact CE1-CE1 2.85Å; H182-H205 VanDerWaalsContact CE1-CE1 3.5Å; H182-H205 AromaticContact CE1-NE2 3.65Å; H182-H205 AromaticContact NE2-CE1 3.11Å; H182-H205 PolarHBondContact NE2-CE1 3.4Å; H182-H205 AromaticContact NE2-NE2 3.04Å; H182-H205 PolarHBondContact NE2-NE2 3.15Å; H182-W213 AromaticContact CD2-CZ3 3.93Å; H182-H214 AromaticContact CD2-NE2 3.79Å; H182-H214 AromaticContact NE2-NE2 3.53Å; H182-F217 HydrophobicContact CB-CE2 4.38Å; H182-F217 HydrophobicContact CB-CZ 4.18Å; H182-V380 PolarHBondContact CE1-O 3.28Å; H182-V380 PolarHBondContact ND1-O 3.27Å; H182-V380 VanDerWaalsContact ND1-O 3.11Å; H182-S383 PolarHBondContact CE1-OG 3.06Å; H182-A384 HydrophobicContact CB-CB 4.16Å; H182-F389 AromaticContact CD2-CZ 3.77Å; H182-F389 AromaticContact NE2-CE2 3.84Å; H182-F389 AromaticContact NE2-CZ 3.84Å |
| 183 | Y | 98.5 | Very high | 97.6 | Very high | 2 Ų | 2 | 10.4 Ų | 10.4 | 1% | 0.008 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -57.4 | -48.3 | 169.4 | 156.2 | -97 | 0 | 0 | 0 | 111.9 | V179 W180 V185 S186 R187 C279 Y285 C292 Q381 | V179-Y183 PolarHBondContact O-N 3.47Å; W180-Y183 WeakPolarHBondContact O-CB 3.47Å; W180-Y183 PolarHBondContact O-N 3.08Å; Y183-V185 VanDerWaalsContact C-N 3.33Å; Y183-V185 PolarHBondContact O-N 2.98Å; Y183-S186 CarbonylContact O-C 3.57Å; Y183-S186 PolarHBondContact O-N 3.44Å; Y183-R187 HydrophobicContact CE2-CB 4.02Å; Y183-R187 PolarHBondContact O-N 3.01Å; Y183-C279 HydrophobicContact CD1-CB 4.32Å; Y183-C279 HydrophobicContact CD2-CB 3.76Å; Y183-C279 HydrophobicContact CG-CB 3.6Å; Y183-Y285 HydrophobicContact CD2-CE2 4.37Å; Y183-Y285 AromaticContact CE2-CD2 3.61Å; Y183-Y285 HydrophobicContact CE2-CD2 3.61Å; Y183-Y285 AromaticContact CE2-CE2 3.78Å; Y183-Y285 HydrophobicContact CE2-CE2 3.78Å; Y183-C292 HydrophobicContact CD1-CB 3.66Å; Y183-C292 HydrophobicContact CD2-CB 4.22Å; Y183-C292 HydrophobicContact CE1-CB 3.37Å; Y183-C292 HydrophobicContact CE2-CB 3.97Å; Y183-C292 HydrophobicContact CG-CB 4.1Å; Y183-C292 PolarHBondContact OH-N 3.15Å; Y183-C292 VanDerWaalsContact OH-N 3.17Å; Y183-Q381 HydrophobicContact CD2-CB 4.05Å; Y183-Q381 HydrophobicContact CD2-CG 4.22Å |
| 184 | Y | 98.3 | Very high | 97.5 | Very high | 3 Ų | 3 | 14.5 Ų | 14.5 | 1% | 0.012 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67.8 | -32.5 | -171.2 | -171.5 | -102.4 | 0 | 0 | 0 | 112.5 | R78 W81 W180 I181 H182 S186 R187 L291 I430 P431 | R78-Y184 WeakPolarHBondContact CD-O 3.47Å; R78-Y184 HydrophobicContact CG-CD1 4.18Å; R78-Y184 HydrophobicContact CG-CE1 3.48Å; R78-Y184 VanDerWaalsContact CG-CE1 3.48Å; R78-Y184 PolarHBondContact NH1-O 3.33Å; W81-Y184 HydrophobicContact CZ3-CE1 4.36Å; W180-Y184 HydrophobicContact CH2-CD1 4.11Å; W180-Y184 AromaticContact CH2-CD2 3.42Å; W180-Y184 HydrophobicContact CH2-CD2 3.42Å; W180-Y184 VanDerWaalsContact CH2-CD2 3.42Å; W180-Y184 HydrophobicContact CH2-CE1 4.5Å; W180-Y184 AromaticContact CH2-CE2 3.92Å; W180-Y184 HydrophobicContact CH2-CE2 3.92Å; W180-Y184 AromaticContact CH2-CG 3.53Å; W180-Y184 HydrophobicContact CH2-CG 3.53Å; W180-Y184 AromaticContact CZ2-CD2 3.61Å; W180-Y184 HydrophobicContact CZ2-CD2 3.61Å; W180-Y184 HydrophobicContact CZ2-CE2 4.19Å; W180-Y184 HydrophobicContact CZ2-CG 4.08Å; W180-Y184 HydrophobicContact CZ3-CD1 4.27Å; W180-Y184 HydrophobicContact CZ3-CD2 4.18Å; W180-Y184 AromaticContact CZ3-CG 3.81Å; W180-Y184 HydrophobicContact CZ3-CG 3.81Å; W180-Y184 WeakPolarHBondContact O-CB 3.45Å; W180-Y184 PolarHBondContact O-N 3.26Å; I181-Y184 PolarHBondContact O-N 3.04Å; H182-Y184 PolarHBondContact O-N 3.46Å; Y184-S186 VanDerWaalsContact C-N 3.33Å; Y184-R187 WeakPolarHBondContact O-CG 3.19Å; Y184-L291 HydrophobicContact CD2-CD1 4.41Å; Y184-L291 HydrophobicContact CE2-CD1 3.94Å; Y184-I430 HydrophobicContact CD1-CG2 3.94Å; Y184-I430 HydrophobicContact CE1-CG2 3.95Å; Y184-P431 HydrophobicContact CD1-CB 3.62Å; Y184-P431 HydrophobicContact CD1-CG 3.71Å; Y184-P431 HydrophobicContact CE1-CB 3.86Å; Y184-P431 HydrophobicContact CE1-CG 4.44Å; Y184-P431 HydrophobicContact CG-CG 4.43Å |
| 185 | V | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -72.6 | -26.6 | 173.1 | -62.9 | 0 | 0 | 0 | 0 | 113.3 | R78 I181 H182 Y183 F203 A204 W213 I430 | R78-V185 PolarHBondContact NH1-O 3.23Å; I181-V185 PolarHBondContact O-N 3.15Å; H182-V185 WeakPolarHBondContact O-CG2 3.48Å; Y183-V185 VanDerWaalsContact C-N 3.33Å; Y183-V185 PolarHBondContact O-N 2.98Å; V185-F203 HydrophobicContact CB-CB 4.05Å; V185-F203 HydrophobicContact CG1-CB 4.38Å; V185-F203 PolarHBondContact O-N 2.96Å; V185-F203 VanDerWaalsContact O-N 3.15Å; V185-A204 HydrophobicContact CB-CB 3.94Å; V185-A204 HydrophobicContact CG2-CB 3.51Å; V185-W213 HydrophobicContact CB-CZ2 4.22Å; V185-W213 HydrophobicContact CG1-CH2 4.48Å; V185-W213 HydrophobicContact CG1-CZ2 3.53Å; V185-W213 HydrophobicContact CG2-CH2 3.89Å; V185-W213 HydrophobicContact CG2-CZ2 3.71Å; V185-I430 HydrophobicContact CG1-CB 4.05Å; V185-I430 HydrophobicContact CG1-CG2 4.09Å; V185-I430 WeakPolarHBondContact CG1-O 3.44Å |
| 186 | S | 97.4 | Very high | 97.2 | Very high | 7 Ų | 7 | 19.3 Ų | 19.3 | 5% | 0.049 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -105.6 | 3.2 | -173.2 | -37 | 0 | 0 | 0 | 0 | 113.8 | H182 Y183 Y184 D202 H205 Q381 | H182-S186 PolarHBondContact O-N 3.41Å; H182-S186 PolarHBondContact O-OG 3.37Å; Y183-S186 CarbonylContact O-C 3.57Å; Y183-S186 PolarHBondContact O-N 3.44Å; Y184-S186 VanDerWaalsContact C-N 3.33Å; S186-D202 WeakPolarHBondContact CB-OD2 3.42Å; S186-H205 PolarHBondContact OG-CE1 3.45Å; S186-Q381 PolarHBondContact O-NE2 2.03Å; S186-Q381 VanDerWaalsContact O-NE2 3.08Å |
| 187 | R | 97.1 | Very high | 97.1 | Very high | 9 Ų | 9 | 19.6 Ų | 19.6 | 3% | 0.034 | 13% | 0.13 | C | C | . | . | P | Polyproline II helix | trans | -74.2 | 149.7 | 177.6 | 66.5 | 161.8 | -80.3 | -78.8 | 7.4 | 112 | D76 R78 Y183 Y184 F190 | D76-R187 IonicContact OD1-NH1 2.75Å; D76-R187 IonicContact OD2-NH1 3.11Å; D76-R187 PolarHBondContact OD2-NH1 3.27Å; R78-R187 VanDerWaalsContact CZ-O 3.25Å; R78-R187 VanDerWaalsContact NH1-CG 3.29Å; R78-R187 PolarHBondContact NH1-O 3.48Å; R78-R187 PolarHBondContact NH2-O 3.3Å; Y183-R187 HydrophobicContact CE2-CB 4.02Å; Y183-R187 PolarHBondContact O-N 3.01Å; Y184-R187 WeakPolarHBondContact O-CG 3.19Å; R187-F190 VanDerWaalsContact NH2-CD1 3.27Å; R187-F190 VanDerWaalsContact NH2-CE2 3.32Å |
| 188 | D | 97.9 | Very high | 97.1 | Very high | 16 Ų | 16 | 23 Ų | 23 | 9% | 0.086 | 14% | 0.143 | C | C | . | . | P | Polyproline II helix | trans | -67.2 | 151.4 | 173.6 | -57.5 | -33.8 | 0 | 0 | 0 | 110.8 | V197 W198 R199 N286 | D188-V197 HydrophobicContact CB-CB 3.8Å; D188-V197 HydrophobicContact CB-CG1 4.44Å; D188-V197 HydrophobicContact CB-CG2 3.85Å; D188-W198 WeakPolarHBondContact CA-O 3.49Å; D188-W198 WeakPolarHBondContact CB-O 3.41Å; D188-R199 WeakPolarHBondContact OD1-CA 3.25Å; D188-R199 IonicContact OD2-NE 2.76Å; D188-N286 PolarHBondContact OD2-ND2 3.43Å |
| 189 | T | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 133.9 | 172.2 | -66.8 | 0 | 0 | 0 | 0 | 110.2 | Y70 I75 D76 L191 V197 W198 I201 | Y70-T189 HydrophobicContact CE2-CG2 4.37Å; I75-T189 HydrophobicContact CD1-CG2 3.57Å; I75-T189 HydrophobicContact CG1-CG2 3.87Å; D76-T189 HydrophobicContact CB-CG2 3.87Å; D76-T189 WeakPolarHBondContact OD2-CA 3.49Å; D76-T189 VanDerWaalsContact OD2-CB 3.31Å; D76-T189 WeakPolarHBondContact OD2-CB 3.32Å; D76-T189 PolarHBondContact OD2-OG1 3.25Å; T189-L191 HydrophobicContact CG2-CD2 4.15Å; T189-V197 CarbonylContact O-C 3.53Å; T189-V197 WeakPolarHBondContact O-CA 3.4Å; T189-V197 VanDerWaalsContact O-CB 3.28Å; T189-V197 WeakPolarHBondContact O-CB 3.26Å; T189-W198 PolarHBondContact N-O 3.38Å; T189-W198 PolarHBondContact O-N 3.05Å; T189-I201 WeakPolarHBondContact OG1-CD1 3.39Å |
| 190 | F | 97.4 | Very high | 96.8 | Very high | 21 Ų | 21 | 32.4 Ų | 32.4 | 9% | 0.092 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 127 | 174.4 | -57.2 | -26.1 | 0 | 0 | 0 | 110 | T156 R187 V197 E289 V290 L291 | T156-F190 HydrophobicContact CG2-CD2 4.17Å; T156-F190 HydrophobicContact CG2-CE2 4.36Å; R187-F190 VanDerWaalsContact NH2-CD1 3.27Å; R187-F190 VanDerWaalsContact NH2-CE2 3.32Å; F190-V197 HydrophobicContact CD1-CG1 3.84Å; F190-V197 HydrophobicContact CE1-CG1 4.44Å; F190-E289 HydrophobicContact CD2-CB 4.28Å; F190-E289 VanDerWaalsContact CE2-C 3.48Å; F190-V290 WeakPolarHBondContact CZ-O 3.36Å; F190-L291 HydrophobicContact CE2-CD2 4.1Å; F190-L291 HydrophobicContact CZ-CD2 4.37Å |
| 191 | L | 96.3 | Very high | 96.7 | Very high | 57 Ų | 57 | 32.9 Ų | 32.9 | 30% | 0.298 | 19% | 0.186 | S | C | . | . | trans | -102.1 | 4.2 | 179.2 | -56.9 | -177.8 | 0 | 0 | 0 | 112.6 | I75 T189 N196 W198 | I75-L191 HydrophobicContact CD1-CD2 3.37Å; T189-L191 HydrophobicContact CG2-CD2 4.15Å; L191-N196 WeakPolarHBondContact CB-O 3.5Å; L191-N196 PolarHBondContact N-O 2.98Å; L191-W198 HydrophobicContact CD1-CB 4.19Å; L191-W198 HydrophobicContact CD2-CB 4.13Å; L191-W198 HydrophobicContact CG-CB 4.32Å | ||
| 192 | G | 93.2 | Very high | 96.6 | Very high | 40 Ų | 40 | 33.9 Ų | 33.9 | 41% | 0.412 | 19% | 0.192 | S | C | . | . | S | Bend | trans | 88.3 | 125.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N196 E289 | G192-N196 WeakPolarHBondContact O-CB 3.49Å; G192-N196 PolarHBondContact O-ND2 2.93Å; G192-E289 VanDerWaalsContact CA-OE2 3.31Å; G192-E289 WeakPolarHBondContact CA-OE2 3.48Å |
| 193 | G | 92.6 | Very high | 96.6 | Very high | 29 Ų | 29 | 33.9 Ų | 33.9 | 30% | 0.299 | 19% | 0.192 | S | C | . | . | S | Bend | trans | 97.8 | 147.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G195 N196 E289 | G193-G195 PolarHBondContact O-N 3.32Å; G193-G195 VanDerWaalsContact O-N 3.14Å; G193-N196 WeakPolarHBondContact O-CB 3.41Å; G193-N196 PolarHBondContact O-N 2.96Å; G193-E289 WeakPolarHBondContact CA-OE1 3.45Å; G193-E289 PolarHBondContact N-OE1 3.44Å; G193-E289 PolarHBondContact N-OE2 3.2Å; G193-E289 VanDerWaalsContact N-OE2 3.07Å |
| 194 | P | 94.8 | Very high | 96.6 | Very high | 108 Ų | 108 | 33.8 Ų | 33.8 | 70% | 0.701 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 117.5 | -177.2 | -32.1 | 37.7 | 0 | 0 | 0 | 113.8 | N196 N287 | P194-N196 PolarHBondContact O-N 2.95Å; P194-N287 WeakPolarHBondContact CA-O 3.39Å; P194-N287 VanDerWaalsContact CB-O 3.25Å; P194-N287 WeakPolarHBondContact CB-O 3.46Å |
| 195 | G | 94.1 | Very high | 96.6 | Very high | 21 Ų | 21 | 34.2 Ų | 34.2 | 22% | 0.216 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 1.6 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | G193 V197 N286 | G193-G195 PolarHBondContact O-N 3.32Å; G193-G195 VanDerWaalsContact O-N 3.14Å; G195-V197 PolarHBondContact O-N 3.27Å; G195-N286 WeakPolarHBondContact CA-O 3.14Å; G195-N286 PolarHBondContact N-O 3.25Å |
| 196 | N | 96.8 | Very high | 96.7 | Very high | 81 Ų | 81 | 36.9 Ų | 36.9 | 43% | 0.433 | 21% | 0.206 | S | C | . | . | trans | -82.2 | 93.4 | 175.6 | -175.5 | 28.7 | 0 | 0 | 0 | 109.6 | L191 G192 G193 P194 | L191-N196 WeakPolarHBondContact CB-O 3.5Å; L191-N196 PolarHBondContact N-O 2.98Å; G192-N196 WeakPolarHBondContact O-CB 3.49Å; G192-N196 PolarHBondContact O-ND2 2.93Å; G193-N196 WeakPolarHBondContact O-CB 3.41Å; G193-N196 PolarHBondContact O-N 2.96Å; P194-N196 PolarHBondContact O-N 2.95Å | ||
| 197 | V | 97.6 | Very high | 96.7 | Very high | 15 Ų | 15 | 36.6 Ų | 36.6 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 151.4 | -173.2 | -56.6 | 0 | 0 | 0 | 0 | 112.4 | D188 T189 F190 G195 R199 N286 | D188-V197 HydrophobicContact CB-CB 3.8Å; D188-V197 HydrophobicContact CB-CG1 4.44Å; D188-V197 HydrophobicContact CB-CG2 3.85Å; T189-V197 CarbonylContact O-C 3.53Å; T189-V197 WeakPolarHBondContact O-CA 3.4Å; T189-V197 VanDerWaalsContact O-CB 3.28Å; T189-V197 WeakPolarHBondContact O-CB 3.26Å; F190-V197 HydrophobicContact CD1-CG1 3.84Å; F190-V197 HydrophobicContact CE1-CG1 4.44Å; G195-V197 PolarHBondContact O-N 3.27Å; V197-R199 HydrophobicContact CG2-CG 3.94Å; V197-N286 HydrophobicContact CG1-CB 3.81Å; V197-N286 HydrophobicContact CG2-CB 4.48Å |
| 198 | W | 97.6 | Very high | 96.8 | Very high | 72 Ų | 72 | 36.1 Ų | 36.1 | 27% | 0.273 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 117.3 | 166.5 | -176.4 | -91.8 | 0 | 0 | 0 | 109.5 | Q69 Y70 P71 H72 D188 T189 L191 D200 I201 | Q69-W198 WeakPolarHBondContact O-CZ2 3.41Å; Y70-W198 AromaticContact CD2-CD1 3.7Å; Y70-W198 HydrophobicContact CD2-CG 4.42Å; Y70-W198 AromaticContact CD2-NE1 3.86Å; Y70-W198 HydrophobicContact CE2-CG 4.47Å; P71-W198 HydrophobicContact CG-CE3 4.46Å; P71-W198 HydrophobicContact CG-CH2 3.85Å; P71-W198 HydrophobicContact CG-CZ2 4.11Å; P71-W198 HydrophobicContact CG-CZ3 4.04Å; H72-W198 AromaticContact NE2-CD2 3.73Å; H72-W198 AromaticContact NE2-CE3 3.44Å; H72-W198 AromaticContact NE2-CG 3.99Å; D188-W198 WeakPolarHBondContact CA-O 3.49Å; D188-W198 WeakPolarHBondContact CB-O 3.41Å; T189-W198 PolarHBondContact N-O 3.38Å; T189-W198 PolarHBondContact O-N 3.05Å; L191-W198 HydrophobicContact CD1-CB 4.19Å; L191-W198 HydrophobicContact CD2-CB 4.13Å; L191-W198 HydrophobicContact CG-CB 4.32Å; W198-D200 HydrophobicContact CZ2-CB 3.94Å; W198-D200 PolarHBondContact NE1-O 3Å; W198-I201 WeakPolarHBondContact O-CG2 3.47Å |
| 199 | R | 96.1 | Very high | 96.8 | Very high | 136 Ų | 136 | 35.4 Ų | 35.4 | 51% | 0.513 | 20% | 0.198 | S | C | . | . | trans | -94.9 | -19.9 | -174.8 | -61.7 | -171.5 | 169.2 | 77.2 | -2.8 | 114.6 | D188 V197 I201 E283 | D188-R199 WeakPolarHBondContact OD1-CA 3.25Å; D188-R199 IonicContact OD2-NE 2.76Å; V197-R199 HydrophobicContact CG2-CG 3.94Å; R199-I201 PolarHBondContact O-N 3.37Å; R199-E283 IonicContact NH2-OE1 3.63Å; R199-E283 IonicContact NH2-OE2 3.31Å; R199-E283 PolarHBondContact NH2-OE2 3.3Å | ||
| 200 | D | 95.1 | Very high | 96.8 | Very high | 61 Ų | 61 | 35.4 Ų | 35.4 | 33% | 0.326 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -85.3 | 59.9 | -177.2 | -154.3 | 38 | 0 | 0 | 0 | 109.9 | W198 R337 | W198-D200 HydrophobicContact CZ2-CB 3.94Å; W198-D200 PolarHBondContact NE1-O 3Å; D200-R337 IonicContact OD1-CZ 3.31Å; D200-R337 IonicContact OD1-NH1 3.95Å; D200-R337 PolarHBondContact OD1-NH1 2.85Å; D200-R337 IonicContact OD1-NH2 3.36Å; D200-R337 PolarHBondContact OD1-NH2 3.33Å; D200-R337 IonicContact OD2-NH2 2.71Å |
| 201 | I | 96.6 | Very high | 96.9 | Very high | 13 Ų | 13 | 34.6 Ų | 34.6 | 7% | 0.067 | 19% | 0.194 | C | C | . | . | trans | -150.4 | 127.6 | 179.8 | -172.4 | 172.2 | 0 | 0 | 0 | 110.2 | Y70 T189 W198 R199 F203 I421 | Y70-I201 HydrophobicContact CD2-CB 4.37Å; Y70-I201 HydrophobicContact CD2-CD1 3.73Å; Y70-I201 HydrophobicContact CD2-CG1 4.39Å; Y70-I201 HydrophobicContact CE2-CD1 3.6Å; Y70-I201 HydrophobicContact CG-CD1 4.34Å; T189-I201 WeakPolarHBondContact OG1-CD1 3.39Å; W198-I201 WeakPolarHBondContact O-CG2 3.47Å; R199-I201 PolarHBondContact O-N 3.37Å; I201-F203 HydrophobicContact CD1-CD2 4.39Å; I201-F203 HydrophobicContact CD1-CE2 3.42Å; I201-F203 VanDerWaalsContact CD1-CE2 3.42Å; I201-F203 HydrophobicContact CD1-CZ 3.78Å; I201-F203 HydrophobicContact CG1-CD2 4.24Å; I201-F203 HydrophobicContact CG1-CE2 3.72Å; I201-F203 HydrophobicContact CG1-CZ 4.31Å; I201-I421 HydrophobicContact CD1-CG2 4.16Å; I201-I421 HydrophobicContact CG1-CG2 4.16Å | ||
| 202 | D | 97.9 | Very high | 97 | Very high | 21 Ų | 21 | 31.9 Ų | 31.9 | 11% | 0.112 | 18% | 0.18 | C | C | . | . | trans | -147.4 | 146.1 | 169 | -163.5 | -58.5 | 0 | 0 | 0 | 107.1 | S186 A204 H205 H423 | S186-D202 WeakPolarHBondContact CB-OD2 3.42Å; D202-A204 WeakPolarHBondContact OD1-CA 3.47Å; D202-A204 PolarHBondContact OD1-N 2.71Å; D202-H205 HydrophobicContact CB-CB 4.36Å; D202-H205 IonicContact OD1-CG 3.47Å; D202-H205 PolarHBondContact OD1-N 3.43Å; D202-H205 IonicContact OD1-ND1 3.62Å; D202-H205 PolarHBondContact OD1-ND1 3.03Å; D202-H205 IonicContact OD2-CE1 2.81Å; D202-H205 IonicContact OD2-CG 2.79Å; D202-H205 IonicContact OD2-ND1 3.82Å; D202-H205 PolarHBondContact OD2-ND1 3.24Å; D202-H423 PolarHBondContact O-NE2 3.25Å | ||
| 203 | F | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -109.1 | -1 | -177.9 | -75 | -87.6 | 0 | 0 | 0 | 113.4 | R78 V185 I201 I421 Y427 I430 | R78-F203 HydrophobicContact CB-CD2 4.19Å; R78-F203 HydrophobicContact CB-CE1 4.14Å; R78-F203 HydrophobicContact CB-CE2 3.57Å; R78-F203 HydrophobicContact CB-CZ 3.53Å; R78-F203 HydrophobicContact CG-CE2 4.34Å; V185-F203 HydrophobicContact CB-CB 4.05Å; V185-F203 HydrophobicContact CG1-CB 4.38Å; V185-F203 PolarHBondContact O-N 2.96Å; V185-F203 VanDerWaalsContact O-N 3.15Å; I201-F203 HydrophobicContact CD1-CD2 4.39Å; I201-F203 HydrophobicContact CD1-CE2 3.42Å; I201-F203 VanDerWaalsContact CD1-CE2 3.42Å; I201-F203 HydrophobicContact CD1-CZ 3.78Å; I201-F203 HydrophobicContact CG1-CD2 4.24Å; I201-F203 HydrophobicContact CG1-CE2 3.72Å; I201-F203 HydrophobicContact CG1-CZ 4.31Å; F203-I421 HydrophobicContact CE1-CD1 4.49Å; F203-I421 HydrophobicContact CE1-CG1 4Å; F203-I421 HydrophobicContact CE1-CG2 4.38Å; F203-I421 HydrophobicContact CZ-CD1 4.44Å; F203-I421 HydrophobicContact CZ-CG1 4.36Å; F203-I421 HydrophobicContact CZ-CG2 4.32Å; F203-Y427 HydrophobicContact CE1-CE1 4.47Å; F203-I430 HydrophobicContact CB-CB 4.33Å; F203-I430 HydrophobicContact CB-CD1 3.94Å; F203-I430 HydrophobicContact CB-CG1 4.4Å; F203-I430 HydrophobicContact CD1-CD1 3.2Å; F203-I430 HydrophobicContact CD1-CG1 3.86Å; F203-I430 HydrophobicContact CE1-CD1 3.88Å; F203-I430 HydrophobicContact CE1-CG1 4.34Å; F203-I430 HydrophobicContact CG-CD1 3.83Å; F203-I430 HydrophobicContact CG-CG1 4.2Å |
| 204 | A | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -137.7 | -6.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | V185 D202 F210 W213 H214 | V185-A204 HydrophobicContact CB-CB 3.94Å; V185-A204 HydrophobicContact CG2-CB 3.51Å; D202-A204 WeakPolarHBondContact OD1-CA 3.47Å; D202-A204 PolarHBondContact OD1-N 2.71Å; A204-F210 VanDerWaalsContact O-CA 3.25Å; A204-F210 WeakPolarHBondContact O-CA 3.39Å; A204-W213 HydrophobicContact CB-CB 4.42Å; A204-W213 HydrophobicContact CB-CD2 3.39Å; A204-W213 HydrophobicContact CB-CE3 3.56Å; A204-W213 HydrophobicContact CB-CG 3.75Å; A204-W213 HydrophobicContact CB-CH2 4.34Å; A204-W213 HydrophobicContact CB-CZ2 4.19Å; A204-W213 HydrophobicContact CB-CZ3 4.05Å; A204-H214 PolarHBondContact O-CE1 2.91Å; A204-H214 VanDerWaalsContact O-CE1 3.27Å |
| 205 | H | 98.7 | Very high | 97.8 | Very high | 12 Ų | 12 | 23.7 Ų | 23.7 | 6% | 0.056 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -133.6 | 174.1 | 179.9 | -49 | 94 | 0 | 0 | 0 | 111.6 | H182 S186 D202 S207 H214 E348 H423 | H182-H205 AromaticContact CE1-CE1 3.5Å; H182-H205 PolarHBondContact CE1-CE1 2.85Å; H182-H205 VanDerWaalsContact CE1-CE1 3.5Å; H182-H205 AromaticContact CE1-NE2 3.65Å; H182-H205 AromaticContact NE2-CE1 3.11Å; H182-H205 PolarHBondContact NE2-CE1 3.4Å; H182-H205 AromaticContact NE2-NE2 3.04Å; H182-H205 PolarHBondContact NE2-NE2 3.15Å; S186-H205 PolarHBondContact OG-CE1 3.45Å; D202-H205 HydrophobicContact CB-CB 4.36Å; D202-H205 IonicContact OD1-CG 3.47Å; D202-H205 PolarHBondContact OD1-N 3.43Å; D202-H205 IonicContact OD1-ND1 3.62Å; D202-H205 PolarHBondContact OD1-ND1 3.03Å; D202-H205 IonicContact OD2-CE1 2.81Å; D202-H205 IonicContact OD2-CG 2.79Å; D202-H205 IonicContact OD2-ND1 3.82Å; D202-H205 PolarHBondContact OD2-ND1 3.24Å; H205-S207 PolarHBondContact O-N 2.78Å; H205-H214 AromaticContact CD2-CE1 3.53Å; H205-H214 AromaticContact NE2-CE1 3.28Å; H205-H214 PolarHBondContact NE2-CE1 3.06Å; H205-H214 VanDerWaalsContact NE2-CE1 3.28Å; H205-H214 AromaticContact NE2-NE2 3.37Å; H205-H214 PolarHBondContact NE2-NE2 3.22Å; H205-E348 WeakPolarHBondContact CA-OE1 3.47Å; H205-E348 WeakPolarHBondContact CB-OE1 3.32Å; H205-H423 PolarHBondContact O-CE1 2.75Å; H205-H423 PolarHBondContact O-NE2 2.66Å |
| 206 | E | 98.1 | Very high | 98 | Very high | 55 Ų | 55 | 22.7 Ų | 22.7 | 26% | 0.257 | 10% | 0.104 | S | C | . | . | S | Bend | trans | 62.8 | 4.3 | 173 | -47.2 | -161.8 | 171.2 | 0 | 0 | 115.3 | D336 R337 R344 E348 F350 | E206-D336 CarbonylContact O-C 3.36Å; E206-D336 WeakPolarHBondContact O-CA 3.31Å; E206-R337 HydrophobicContact CB-CB 4.25Å; E206-R337 PolarHBondContact O-N 3.08Å; E206-R337 IonicContact OE1-NH1 3.33Å; E206-R337 PolarHBondContact OE1-NH1 2.91Å; E206-R337 VanDerWaalsContact OE2-CD 3.29Å; E206-R337 WeakPolarHBondContact OE2-CD 3.24Å; E206-R337 IonicContact OE2-CZ 2.78Å; E206-R337 IonicContact OE2-NE 3.45Å; E206-R337 IonicContact OE2-NH1 3.83Å; E206-R337 PolarHBondContact OE2-NH1 3.47Å; E206-R344 VanDerWaalsContact C-NH1 3.25Å; E206-R344 PolarHBondContact O-NH1 2.73Å; E206-E348 PolarHBondContact N-OE1 3.44Å; E206-E348 PolarHBondContact N-OE2 2.78Å; E206-F350 HydrophobicContact CB-CE2 4.41Å; E206-F350 HydrophobicContact CG-CE2 3.9Å; E206-F350 HydrophobicContact CG-CZ 3.78Å |
| 207 | S | 98.3 | Very high | 98.1 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.007 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -161.1 | -178 | -177.3 | -176.2 | 0 | 0 | 0 | 0 | 112.5 | H205 A209 F210 M335 R344 P420 H423 | H205-S207 PolarHBondContact O-N 2.78Å; S207-A209 VanDerWaalsContact C-N 3.27Å; S207-A209 PolarHBondContact O-N 3.03Å; S207-F210 WeakPolarHBondContact O-CB 3.45Å; S207-F210 PolarHBondContact O-N 3.05Å; S207-M335 WeakPolarHBondContact CB-O 3.03Å; S207-M335 PolarHBondContact OG-O 3.27Å; S207-R344 WeakPolarHBondContact O-CD 3.26Å; S207-P420 VanDerWaalsContact OG-CD 3.25Å; S207-P420 WeakPolarHBondContact OG-CD 3.46Å; S207-P420 WeakPolarHBondContact OG-CG 3.39Å; S207-H423 VanDerWaalsContact C-ND1 3.33Å; S207-H423 VanDerWaalsContact CB-CG 3.41Å; S207-H423 VanDerWaalsContact CB-ND1 3.3Å; S207-H423 WeakPolarHBondContact CB-ND1 3.1Å; S207-H423 PolarHBondContact O-ND1 2.88Å; S207-H423 WeakPolarHBondContact OG-CB 3.46Å |
| 208 | A | 98.2 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -35.1 | -165.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | F210 Y330 E331 Y414 P415 H423 | A208-F210 PolarHBondContact O-N 2.81Å; A208-Y330 HydrophobicContact CB-CE1 4.1Å; A208-Y330 PolarHBondContact O-OH 3.29Å; A208-E331 WeakPolarHBondContact CA-OE1 3.22Å; A208-E331 HydrophobicContact CB-CG 3.98Å; A208-E331 PolarHBondContact N-OE1 3.17Å; A208-E331 VanDerWaalsContact N-OE1 3.16Å; A208-Y414 HydrophobicContact CB-CE1 4.45Å; A208-Y414 HydrophobicContact CB-CE2 4.16Å; A208-Y414 WeakPolarHBondContact O-CE2 3.4Å; A208-Y414 PolarHBondContact O-OH 3.13Å; A208-P415 HydrophobicContact CB-CG 3.34Å; A208-H423 HydrophobicContact CB-CB 4.31Å |
| 209 | A | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -9.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | S207 L211 P212 W213 Y414 H423 N438 | S207-A209 VanDerWaalsContact C-N 3.27Å; S207-A209 PolarHBondContact O-N 3.03Å; A209-L211 PolarHBondContact O-N 2.84Å; A209-P212 WeakPolarHBondContact O-CD 3.48Å; A209-W213 HydrophobicContact CB-CB 4.49Å; A209-W213 WeakPolarHBondContact O-CB 3.44Å; A209-W213 PolarHBondContact O-N 2.98Å; A209-Y414 WeakPolarHBondContact CA-OH 3.43Å; A209-Y414 PolarHBondContact N-OH 2.71Å; A209-H423 HydrophobicContact CB-CB 4.22Å; A209-H423 VanDerWaalsContact CB-ND1 3.31Å; A209-H423 WeakPolarHBondContact CB-ND1 3.01Å; A209-H423 PolarHBondContact N-ND1 2.74Å; A209-N438 VanDerWaalsContact CB-OD1 3.28Å; A209-N438 WeakPolarHBondContact CB-OD1 3.41Å |
| 210 | F | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -47.6 | -52.6 | -175.6 | 169.4 | -114.1 | 0 | 0 | 0 | 113.9 | A204 S207 A208 H214 R344 E348 H366 I396 | A204-F210 VanDerWaalsContact O-CA 3.25Å; A204-F210 WeakPolarHBondContact O-CA 3.39Å; S207-F210 WeakPolarHBondContact O-CB 3.45Å; S207-F210 PolarHBondContact O-N 3.05Å; A208-F210 PolarHBondContact O-N 2.81Å; F210-H214 AromaticContact CD2-CE1 3.66Å; F210-H214 AromaticContact CD2-ND1 3.5Å; F210-H214 WeakPolarHBondContact CD2-ND1 3.04Å; F210-H214 AromaticContact CE2-CE1 3.76Å; F210-H214 AromaticContact CE2-ND1 3.68Å; F210-H214 WeakPolarHBondContact O-CB 3.15Å; F210-H214 PolarHBondContact O-N 3.07Å; F210-H214 PolarHBondContact O-ND1 2.79Å; F210-R344 HydrophobicContact CB-CG 4.26Å; F210-R344 HydrophobicContact CD1-CG 4.42Å; F210-E348 HydrophobicContact CD1-CB 3.76Å; F210-E348 HydrophobicContact CD1-CG 3.98Å; F210-E348 HydrophobicContact CD2-CG 4.19Å; F210-E348 HydrophobicContact CE1-CB 3.7Å; F210-E348 HydrophobicContact CE1-CG 3.95Å; F210-E348 HydrophobicContact CE2-CG 4.15Å; F210-E348 HydrophobicContact CG-CB 4.37Å; F210-E348 HydrophobicContact CG-CG 4.13Å; F210-E348 HydrophobicContact CZ-CB 4.25Å; F210-E348 HydrophobicContact CZ-CG 4.04Å; F210-H366 AromaticContact CE2-CE1 3.74Å; F210-H366 AromaticContact CE2-NE2 3.74Å; F210-H366 HydrophobicContact CZ-CB 4.31Å; F210-H366 AromaticContact CZ-CD2 3.7Å; F210-H366 AromaticContact CZ-CE1 3.86Å; F210-H366 AromaticContact CZ-CG 3.73Å; F210-H366 AromaticContact CZ-ND1 3.83Å; F210-H366 AromaticContact CZ-NE2 3.76Å; F210-I396 HydrophobicContact CE1-CG2 4.1Å; F210-I396 HydrophobicContact CZ-CG2 4.12Å |
| 211 | L | 98.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 6 Ų | 6 | 2% | 0.021 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -76.6 | -48.9 | -176.4 | -58.6 | 169.4 | 0 | 0 | 0 | 112.7 | A209 W213 R215 Y330 F343 L347 I396 F400 | A209-L211 PolarHBondContact O-N 2.84Å; L211-W213 VanDerWaalsContact C-N 3.35Å; L211-W213 PolarHBondContact O-N 3.17Å; L211-R215 WeakPolarHBondContact O-CB 3.44Å; L211-R215 PolarHBondContact O-N 2.99Å; L211-Y330 HydrophobicContact CD1-CE2 3.99Å; L211-F343 HydrophobicContact CD1-CD1 4.24Å; L211-F343 HydrophobicContact CD1-CE1 3.53Å; L211-F343 HydrophobicContact CD1-CZ 4.22Å; L211-L347 HydrophobicContact CD1-CD2 4.05Å; L211-L347 HydrophobicContact CD2-CD2 3.8Å; L211-L347 HydrophobicContact CD2-CG 4.47Å; L211-I396 HydrophobicContact CD2-CG2 3.66Å; L211-F400 HydrophobicContact CB-CB 4.39Å; L211-F400 HydrophobicContact CB-CD1 3.55Å; L211-F400 HydrophobicContact CB-CD2 4.34Å; L211-F400 HydrophobicContact CB-CE1 3.84Å; L211-F400 HydrophobicContact CB-CG 3.85Å; L211-F400 HydrophobicContact CB-CZ 4.36Å; L211-F400 HydrophobicContact CD1-CB 4.07Å; L211-F400 HydrophobicContact CD1-CD1 4.41Å; L211-F400 HydrophobicContact CD1-CD2 3.78Å; L211-F400 HydrophobicContact CD1-CE2 4.34Å; L211-F400 HydrophobicContact CD1-CG 3.84Å; L211-F400 HydrophobicContact CD2-CB 4.26Å; L211-F400 HydrophobicContact CG-CB 4.48Å; L211-F400 HydrophobicContact CG-CD1 4.46Å; L211-F400 HydrophobicContact CG-CG 4.3Å |
| 212 | P | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -62.1 | -37.8 | 177 | -25.3 | 35.6 | 0 | 0 | 0 | 113.9 | A209 R215 V216 Y330 Y414 M429 | A209-P212 WeakPolarHBondContact O-CD 3.48Å; P212-R215 WeakPolarHBondContact O-CB 3.44Å; P212-R215 PolarHBondContact O-N 3.16Å; P212-V216 PolarHBondContact O-N 3.42Å; P212-Y330 WeakPolarHBondContact CD-OH 3.41Å; P212-Y414 HydrophobicContact CG-CE2 3.84Å; P212-M429 HydrophobicContact CB-CE 3.77Å; P212-M429 WeakPolarHBondContact O-CE 3.17Å |
| 213 | W | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -64.7 | -51.1 | 179.4 | -171.2 | 100.8 | 0 | 0 | 0 | 110.8 | I181 H182 V185 A204 A209 L211 R215 V216 F217 I430 F432 | I181-W213 HydrophobicContact CG2-CH2 3.85Å; I181-W213 HydrophobicContact CG2-CZ2 3.73Å; H182-W213 AromaticContact CD2-CZ3 3.93Å; V185-W213 HydrophobicContact CB-CZ2 4.22Å; V185-W213 HydrophobicContact CG1-CH2 4.48Å; V185-W213 HydrophobicContact CG1-CZ2 3.53Å; V185-W213 HydrophobicContact CG2-CH2 3.89Å; V185-W213 HydrophobicContact CG2-CZ2 3.71Å; A204-W213 HydrophobicContact CB-CB 4.42Å; A204-W213 HydrophobicContact CB-CD2 3.39Å; A204-W213 HydrophobicContact CB-CE3 3.56Å; A204-W213 HydrophobicContact CB-CG 3.75Å; A204-W213 HydrophobicContact CB-CH2 4.34Å; A204-W213 HydrophobicContact CB-CZ2 4.19Å; A204-W213 HydrophobicContact CB-CZ3 4.05Å; A209-W213 HydrophobicContact CB-CB 4.49Å; A209-W213 WeakPolarHBondContact O-CB 3.44Å; A209-W213 PolarHBondContact O-N 2.98Å; L211-W213 VanDerWaalsContact C-N 3.35Å; L211-W213 PolarHBondContact O-N 3.17Å; W213-R215 VanDerWaalsContact C-N 3.25Å; W213-R215 PolarHBondContact O-N 3.35Å; W213-V216 PolarHBondContact O-N 3.03Å; W213-F217 HydrophobicContact CE3-CB 3.99Å; W213-F217 HydrophobicContact CE3-CG 4.39Å; W213-F217 HydrophobicContact CH2-CB 4.21Å; W213-F217 AromaticContact CH2-CD2 3.44Å; W213-F217 HydrophobicContact CH2-CD2 3.44Å; W213-F217 VanDerWaalsContact CH2-CD2 3.44Å; W213-F217 AromaticContact CH2-CE2 3.9Å; W213-F217 HydrophobicContact CH2-CE2 3.9Å; W213-F217 AromaticContact CH2-CG 3.89Å; W213-F217 HydrophobicContact CH2-CG 3.89Å; W213-F217 HydrophobicContact CZ2-CD2 4.24Å; W213-F217 HydrophobicContact CZ3-CB 3.73Å; W213-F217 HydrophobicContact CZ3-CD1 4.23Å; W213-F217 AromaticContact CZ3-CD2 3.71Å; W213-F217 HydrophobicContact CZ3-CD2 3.71Å; W213-F217 HydrophobicContact CZ3-CE2 4.34Å; W213-F217 AromaticContact CZ3-CG 3.63Å; W213-F217 HydrophobicContact CZ3-CG 3.63Å; W213-F217 VanDerWaalsContact O-CB 3.31Å; W213-F217 WeakPolarHBondContact O-CB 3.28Å; W213-F217 PolarHBondContact O-N 2.92Å; W213-I430 PolarHBondContact NE1-O 3.15Å; W213-F432 HydrophobicContact CD2-CE2 4.28Å; W213-F432 AromaticContact CE2-CE2 3.76Å; W213-F432 AromaticContact CE2-CZ 3.96Å; W213-F432 HydrophobicContact CG-CE2 4.43Å; W213-F432 HydrophobicContact CH2-CZ 4.45Å; W213-F432 HydrophobicContact CZ2-CE2 4.16Å; W213-F432 AromaticContact CZ2-CZ 3.92Å; W213-F432 HydrophobicContact CZ2-CZ 3.92Å; W213-F432 AromaticContact NE1-CE2 3.62Å |
| 214 | H | 98.9 | Very high | 98.4 | Very high | 6 Ų | 6 | 5.5 Ų | 5.5 | 3% | 0.028 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -65.7 | -29.1 | 178.6 | -74.3 | 89.8 | 0 | 0 | 0 | 112.6 | H182 A204 H205 F210 F217 L218 H393 | H182-H214 AromaticContact CD2-NE2 3.79Å; H182-H214 AromaticContact NE2-NE2 3.53Å; A204-H214 PolarHBondContact O-CE1 2.91Å; A204-H214 VanDerWaalsContact O-CE1 3.27Å; H205-H214 AromaticContact CD2-CE1 3.53Å; H205-H214 AromaticContact NE2-CE1 3.28Å; H205-H214 PolarHBondContact NE2-CE1 3.06Å; H205-H214 VanDerWaalsContact NE2-CE1 3.28Å; H205-H214 AromaticContact NE2-NE2 3.37Å; H205-H214 PolarHBondContact NE2-NE2 3.22Å; F210-H214 AromaticContact CD2-CE1 3.66Å; F210-H214 AromaticContact CD2-ND1 3.5Å; F210-H214 WeakPolarHBondContact CD2-ND1 3.04Å; F210-H214 AromaticContact CE2-CE1 3.76Å; F210-H214 AromaticContact CE2-ND1 3.68Å; F210-H214 WeakPolarHBondContact O-CB 3.15Å; F210-H214 PolarHBondContact O-N 3.07Å; F210-H214 PolarHBondContact O-ND1 2.79Å; H214-F217 WeakPolarHBondContact O-CB 3.41Å; H214-L218 VanDerWaalsContact O-CG 3.29Å; H214-L218 WeakPolarHBondContact O-CG 3.02Å; H214-L218 PolarHBondContact O-N 3.49Å; H214-H393 AromaticContact CD2-CE1 3.23Å; H214-H393 PolarHBondContact CD2-CE1 3.33Å; H214-H393 AromaticContact CD2-ND1 3.16Å; H214-H393 PolarHBondContact CD2-ND1 2.82Å; H214-H393 AromaticContact CG-CE1 3.9Å; H214-H393 AromaticContact CG-ND1 3.57Å; H214-H393 AromaticContact NE2-CE1 3.41Å; H214-H393 PolarHBondContact NE2-CE1 3.26Å; H214-H393 AromaticContact NE2-ND1 3.84Å |
| 215 | R | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -62.2 | -51.5 | 171.3 | 171 | 170.5 | -65 | -173.5 | -7.4 | 112.1 | L211 P212 W213 F217 L218 L219 D397 F400 L443 N445 L448 | L211-R215 WeakPolarHBondContact O-CB 3.44Å; L211-R215 PolarHBondContact O-N 2.99Å; P212-R215 WeakPolarHBondContact O-CB 3.44Å; P212-R215 PolarHBondContact O-N 3.16Å; W213-R215 VanDerWaalsContact C-N 3.25Å; W213-R215 PolarHBondContact O-N 3.35Å; R215-F217 VanDerWaalsContact C-N 3.32Å; R215-L218 PolarHBondContact O-N 3.12Å; R215-L219 HydrophobicContact CG-CD1 4.21Å; R215-L219 WeakPolarHBondContact O-CG 3.44Å; R215-L219 PolarHBondContact O-N 3.04Å; R215-D397 IonicContact CZ-OD1 2.79Å; R215-D397 IonicContact NE-OD1 3.1Å; R215-D397 PolarHBondContact NE-OD1 2.91Å; R215-D397 IonicContact NH2-OD1 3.77Å; R215-D397 PolarHBondContact NH2-OD1 3.17Å; R215-F400 VanDerWaalsContact CZ-CE1 3.4Å; R215-L443 PolarHBondContact NH1-O 3Å; R215-N445 PolarHBondContact NE-OD1 3.35Å; R215-N445 PolarHBondContact NH1-OD1 3.17Å; R215-N445 VanDerWaalsContact NH1-OD1 3.11Å; R215-N445 PolarHBondContact NH2-OD1 3.5Å; R215-L448 HydrophobicContact CG-CD1 4.1Å |
| 216 | V | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -64.4 | -39.8 | 176.8 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | P212 W213 L218 L219 H220 M429 F432 Y436 Y441 | P212-V216 PolarHBondContact O-N 3.42Å; W213-V216 PolarHBondContact O-N 3.03Å; V216-L218 PolarHBondContact O-N 3.08Å; V216-L219 PolarHBondContact O-N 3.47Å; V216-H220 WeakPolarHBondContact O-CB 3.3Å; V216-H220 PolarHBondContact O-N 3.16Å; V216-M429 HydrophobicContact CB-CE 4.39Å; V216-M429 HydrophobicContact CB-SD 3.71Å; V216-M429 HydrophobicContact CG1-SD 4.06Å; V216-M429 HydrophobicContact CG2-CE 3.72Å; V216-M429 HydrophobicContact CG2-SD 3.59Å; V216-M429 VanDerWaalsContact CG2-SD 3.59Å; V216-F432 HydrophobicContact CB-CE2 4.3Å; V216-F432 HydrophobicContact CG1-CD2 3.98Å; V216-F432 HydrophobicContact CG1-CE2 3.85Å; V216-F432 HydrophobicContact CG1-CG 4.48Å; V216-F432 HydrophobicContact CG1-CZ 4.24Å; V216-Y436 HydrophobicContact CG1-CD2 3.49Å; V216-Y436 VanDerWaalsContact CG1-CD2 3.49Å; V216-Y436 HydrophobicContact CG1-CE2 3.88Å; V216-Y436 HydrophobicContact CG1-CG 3.97Å; V216-Y441 HydrophobicContact CG2-CD1 3.26Å; V216-Y441 HydrophobicContact CG2-CD2 3.68Å; V216-Y441 HydrophobicContact CG2-CE1 3.52Å; V216-Y441 HydrophobicContact CG2-CE2 3.96Å; V216-Y441 HydrophobicContact CG2-CG 3.34Å |
| 217 | F | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -54.7 | -50.2 | 175 | -177.3 | -106.5 | 0 | 0 | 0 | 112 | F178 I181 H182 W213 H214 R215 H220 W221 F389 F432 | F178-F217 HydrophobicContact CB-CE2 3.84Å; F178-F217 HydrophobicContact CB-CZ 3.69Å; F178-F217 HydrophobicContact CD1-CD2 4.04Å; F178-F217 AromaticContact CD1-CE2 3.69Å; F178-F217 HydrophobicContact CD1-CE2 3.69Å; F178-F217 HydrophobicContact CD1-CZ 4.15Å; F178-F217 HydrophobicContact CG-CE2 4.27Å; F178-F217 HydrophobicContact CG-CZ 4.41Å; F178-F217 WeakPolarHBondContact O-CE2 3.41Å; F178-F217 VanDerWaalsContact O-CZ 3.27Å; F178-F217 WeakPolarHBondContact O-CZ 3.44Å; I181-F217 HydrophobicContact CB-CE2 4.08Å; I181-F217 HydrophobicContact CG2-CD2 3.78Å; I181-F217 HydrophobicContact CG2-CE2 3.65Å; H182-F217 HydrophobicContact CB-CE2 4.38Å; H182-F217 HydrophobicContact CB-CZ 4.18Å; W213-F217 HydrophobicContact CE3-CB 3.99Å; W213-F217 HydrophobicContact CE3-CG 4.39Å; W213-F217 HydrophobicContact CH2-CB 4.21Å; W213-F217 AromaticContact CH2-CD2 3.44Å; W213-F217 HydrophobicContact CH2-CD2 3.44Å; W213-F217 VanDerWaalsContact CH2-CD2 3.44Å; W213-F217 AromaticContact CH2-CE2 3.9Å; W213-F217 HydrophobicContact CH2-CE2 3.9Å; W213-F217 AromaticContact CH2-CG 3.89Å; W213-F217 HydrophobicContact CH2-CG 3.89Å; W213-F217 HydrophobicContact CZ2-CD2 4.24Å; W213-F217 HydrophobicContact CZ3-CB 3.73Å; W213-F217 HydrophobicContact CZ3-CD1 4.23Å; W213-F217 AromaticContact CZ3-CD2 3.71Å; W213-F217 HydrophobicContact CZ3-CD2 3.71Å; W213-F217 HydrophobicContact CZ3-CE2 4.34Å; W213-F217 AromaticContact CZ3-CG 3.63Å; W213-F217 HydrophobicContact CZ3-CG 3.63Å; W213-F217 VanDerWaalsContact O-CB 3.31Å; W213-F217 WeakPolarHBondContact O-CB 3.28Å; W213-F217 PolarHBondContact O-N 2.92Å; H214-F217 WeakPolarHBondContact O-CB 3.41Å; R215-F217 VanDerWaalsContact C-N 3.32Å; F217-H220 PolarHBondContact O-N 2.95Å; F217-W221 HydrophobicContact CD1-CE3 4.18Å; F217-W221 AromaticContact CE1-CE3 3.38Å; F217-W221 HydrophobicContact CE1-CE3 3.38Å; F217-W221 AromaticContact CE1-CZ3 3.43Å; F217-W221 HydrophobicContact CE1-CZ3 3.43Å; F217-W221 VanDerWaalsContact CE1-CZ3 3.43Å; F217-W221 HydrophobicContact CE2-CE3 4.48Å; F217-W221 AromaticContact CZ-CE3 3.58Å; F217-W221 HydrophobicContact CZ-CE3 3.58Å; F217-W221 AromaticContact CZ-CZ3 3.5Å; F217-W221 HydrophobicContact CZ-CZ3 3.5Å; F217-W221 WeakPolarHBondContact O-CB 3.49Å; F217-W221 PolarHBondContact O-N 3.41Å; F217-F389 HydrophobicContact CD1-CE1 4.05Å; F217-F389 HydrophobicContact CE1-CD1 4.27Å; F217-F389 AromaticContact CE1-CE1 3.44Å; F217-F389 HydrophobicContact CE1-CE1 3.44Å; F217-F389 VanDerWaalsContact CE1-CE1 3.44Å; F217-F389 HydrophobicContact CE1-CZ 4.04Å; F217-F389 HydrophobicContact CZ-CE1 4.41Å; F217-F432 HydrophobicContact CB-CZ 3.9Å; F217-F432 HydrophobicContact CD2-CE1 4.25Å; F217-F432 HydrophobicContact CD2-CZ 4.02Å; F217-F432 HydrophobicContact CG-CZ 4.49Å |
| 218 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -64.7 | -40.1 | 176.9 | -70.4 | 170.3 | 0 | 0 | 0 | 112.7 | H214 R215 V216 W221 E222 I236 L390 H393 A394 D397 | H214-L218 VanDerWaalsContact O-CG 3.29Å; H214-L218 WeakPolarHBondContact O-CG 3.02Å; H214-L218 PolarHBondContact O-N 3.49Å; R215-L218 PolarHBondContact O-N 3.12Å; V216-L218 PolarHBondContact O-N 3.08Å; L218-W221 PolarHBondContact O-N 2.9Å; L218-E222 VanDerWaalsContact O-CB 3.25Å; L218-E222 WeakPolarHBondContact O-CB 3.2Å; L218-E222 PolarHBondContact O-N 3.33Å; L218-I236 HydrophobicContact CD2-CD1 4.22Å; L218-L390 HydrophobicContact CD2-CD2 3.77Å; L218-H393 HydrophobicContact CD1-CB 4.11Å; L218-H393 HydrophobicContact CD2-CB 4.28Å; L218-H393 HydrophobicContact CG-CB 4.47Å; L218-A394 HydrophobicContact CD1-CB 4.43Å; L218-D397 HydrophobicContact CD1-CB 4.24Å |
| 219 | L | 98.3 | Very high | 98.2 | Very high | 6 Ų | 6 | 8.8 Ų | 8.8 | 3% | 0.031 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -64.7 | -42.1 | 178.1 | -76 | 168.5 | 0 | 0 | 0 | 111.9 | F106 R215 V216 N223 L448 Y450 | F106-L219 HydrophobicContact CD1-CB 4.03Å; F106-L219 HydrophobicContact CD1-CD2 4.4Å; F106-L219 HydrophobicContact CD2-CB 4.33Å; F106-L219 HydrophobicContact CD2-CD1 3.84Å; F106-L219 HydrophobicContact CE1-CB 3.71Å; F106-L219 HydrophobicContact CE2-CB 4.02Å; F106-L219 HydrophobicContact CE2-CD1 4.12Å; F106-L219 HydrophobicContact CG-CB 4.33Å; F106-L219 HydrophobicContact CG-CD1 4.09Å; F106-L219 HydrophobicContact CG-CD2 4.45Å; F106-L219 HydrophobicContact CZ-CB 3.71Å; R215-L219 HydrophobicContact CG-CD1 4.21Å; R215-L219 WeakPolarHBondContact O-CG 3.44Å; R215-L219 PolarHBondContact O-N 3.04Å; V216-L219 PolarHBondContact O-N 3.47Å; L219-N223 WeakPolarHBondContact O-CB 3.49Å; L219-N223 PolarHBondContact O-N 2.94Å; L219-L448 HydrophobicContact CD1-CB 4.29Å; L219-L448 HydrophobicContact CD1-CD1 3.91Å; L219-Y450 HydrophobicContact CD1-CE1 4.08Å; L219-Y450 HydrophobicContact CD2-CD1 3.77Å; L219-Y450 HydrophobicContact CD2-CE1 3.71Å; L219-Y450 HydrophobicContact CG-CE1 4.19Å |
| 220 | H | 97.5 | Very high | 98.1 | Very high | 7 Ų | 7 | 11.1 Ų | 11.1 | 3% | 0.032 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -66.9 | -43.2 | 176.9 | -168.8 | 48.2 | 0 | 0 | 0 | 110.9 | Y150 F178 V216 F217 E222 N223 E224 | Y150-H220 AromaticContact CE2-CE1 3.57Å; Y150-H220 AromaticContact CE2-NE2 3.82Å; Y150-H220 AromaticContact CZ-CE1 3.76Å; Y150-H220 AromaticContact CZ-NE2 3.97Å; F178-H220 HydrophobicContact CE1-CB 3.96Å; F178-H220 AromaticContact CE1-CD2 3.43Å; F178-H220 VanDerWaalsContact CE1-CD2 3.43Å; F178-H220 WeakPolarHBondContact CE1-CD2 3.18Å; F178-H220 AromaticContact CE1-CG 3.9Å; F178-H220 HydrophobicContact CZ-CB 4.42Å; F178-H220 AromaticContact CZ-CD2 3.63Å; V216-H220 WeakPolarHBondContact O-CB 3.3Å; V216-H220 PolarHBondContact O-N 3.16Å; F217-H220 PolarHBondContact O-N 2.95Å; H220-E222 PolarHBondContact O-N 2.65Å; H220-N223 PolarHBondContact O-N 2.79Å; H220-E224 IonicContact CE1-OE1 2.78Å; H220-E224 WeakPolarHBondContact O-CG 3.39Å; H220-E224 PolarHBondContact O-N 2.91Å |
| 221 | W | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.2 | -45.4 | 175.9 | -155.9 | -20 | 0 | 0 | 0 | 112.3 | Y175 F178 F217 L218 N223 E224 I225 I236 A384 F389 L390 | Y175-W221 AromaticContact CD1-CZ2 3.99Å; Y175-W221 HydrophobicContact CD1-CZ2 3.99Å; Y175-W221 AromaticContact CD2-CZ2 3.61Å; Y175-W221 HydrophobicContact CD2-CZ2 3.61Å; Y175-W221 HydrophobicContact CE1-CH2 4.04Å; Y175-W221 AromaticContact CE1-CZ2 3.86Å; Y175-W221 HydrophobicContact CE1-CZ2 3.86Å; Y175-W221 HydrophobicContact CE2-CH2 4.14Å; Y175-W221 AromaticContact CE2-CZ2 3.48Å; Y175-W221 HydrophobicContact CE2-CZ2 3.48Å; Y175-W221 VanDerWaalsContact CE2-CZ2 3.48Å; Y175-W221 AromaticContact CG-CZ2 3.84Å; Y175-W221 HydrophobicContact CG-CZ2 3.84Å; Y175-W221 AromaticContact CZ-CH2 3.8Å; Y175-W221 AromaticContact CZ-CZ2 3.58Å; F178-W221 HydrophobicContact CB-CD2 3.42Å; F178-W221 VanDerWaalsContact CB-CD2 3.42Å; F178-W221 HydrophobicContact CB-CE3 3.36Å; F178-W221 HydrophobicContact CB-CG 4.14Å; F178-W221 HydrophobicContact CB-CH2 3.63Å; F178-W221 HydrophobicContact CB-CZ2 3.66Å; F178-W221 HydrophobicContact CB-CZ3 3.49Å; F178-W221 VanDerWaalsContact CB-CZ3 3.49Å; F178-W221 HydrophobicContact CD1-CB 3.68Å; F178-W221 AromaticContact CD1-CD2 3.88Å; F178-W221 HydrophobicContact CD1-CD2 3.88Å; F178-W221 HydrophobicContact CD1-CE3 4.02Å; F178-W221 AromaticContact CD1-CG 3.78Å; F178-W221 HydrophobicContact CD1-CG 3.78Å; F178-W221 HydrophobicContact CD2-CB 4.1Å; F178-W221 AromaticContact CD2-CD1 3.38Å; F178-W221 AromaticContact CD2-CD2 3.66Å; F178-W221 HydrophobicContact CD2-CD2 3.66Å; F178-W221 AromaticContact CD2-CE2 3.69Å; F178-W221 HydrophobicContact CD2-CE3 4.44Å; F178-W221 AromaticContact CD2-CG 3.49Å; F178-W221 HydrophobicContact CD2-CG 3.49Å; F178-W221 VanDerWaalsContact CD2-CG 3.49Å; F178-W221 HydrophobicContact CD2-CZ2 4.45Å; F178-W221 AromaticContact CD2-NE1 3.51Å; F178-W221 HydrophobicContact CE1-CB 3.64Å; F178-W221 HydrophobicContact CE1-CG 4.09Å; F178-W221 HydrophobicContact CE2-CB 4.09Å; F178-W221 AromaticContact CE2-CD1 3.64Å; F178-W221 HydrophobicContact CE2-CD2 4.48Å; F178-W221 AromaticContact CE2-CG 3.85Å; F178-W221 HydrophobicContact CE2-CG 3.85Å; F178-W221 HydrophobicContact CG-CB 3.94Å; F178-W221 AromaticContact CG-CD1 3.89Å; F178-W221 AromaticContact CG-CD2 3.35Å; F178-W221 HydrophobicContact CG-CD2 3.35Å; F178-W221 AromaticContact CG-CE2 3.72Å; F178-W221 AromaticContact CG-CE3 3.68Å; F178-W221 HydrophobicContact CG-CE3 3.68Å; F178-W221 AromaticContact CG-CG 3.49Å; F178-W221 HydrophobicContact CG-CG 3.49Å; F178-W221 VanDerWaalsContact CG-CG 3.49Å; F178-W221 HydrophobicContact CG-CZ2 4.32Å; F178-W221 HydrophobicContact CG-CZ3 4.31Å; F178-W221 HydrophobicContact CZ-CB 3.89Å; F178-W221 HydrophobicContact CZ-CG 4.16Å; F217-W221 HydrophobicContact CD1-CE3 4.18Å; F217-W221 AromaticContact CE1-CE3 3.38Å; F217-W221 HydrophobicContact CE1-CE3 3.38Å; F217-W221 AromaticContact CE1-CZ3 3.43Å; F217-W221 HydrophobicContact CE1-CZ3 3.43Å; F217-W221 VanDerWaalsContact CE1-CZ3 3.43Å; F217-W221 HydrophobicContact CE2-CE3 4.48Å; F217-W221 AromaticContact CZ-CE3 3.58Å; F217-W221 HydrophobicContact CZ-CE3 3.58Å; F217-W221 AromaticContact CZ-CZ3 3.5Å; F217-W221 HydrophobicContact CZ-CZ3 3.5Å; F217-W221 WeakPolarHBondContact O-CB 3.49Å; F217-W221 PolarHBondContact O-N 3.41Å; L218-W221 PolarHBondContact O-N 2.9Å; W221-N223 VanDerWaalsContact C-N 3.31Å; W221-N223 PolarHBondContact O-N 3.43Å; W221-E224 PolarHBondContact O-N 3.11Å; W221-I225 WeakPolarHBondContact O-CG1 3.47Å; W221-I225 PolarHBondContact O-N 2.98Å; W221-I225 VanDerWaalsContact O-N 3.08Å; W221-I236 HydrophobicContact CB-CD1 4.31Å; W221-A384 HydrophobicContact CH2-CB 4.36Å; W221-A384 HydrophobicContact CZ3-CB 4.38Å; W221-F389 HydrophobicContact CZ3-CD1 4.31Å; W221-L390 HydrophobicContact CD2-CD2 3.66Å; W221-L390 HydrophobicContact CD2-CG 4.49Å; W221-L390 HydrophobicContact CE3-CD2 3.39Å; W221-L390 HydrophobicContact CE3-CG 4.31Å; W221-L390 HydrophobicContact CG-CD2 4.25Å; W221-L390 HydrophobicContact CH2-CD2 4.32Å; W221-L390 HydrophobicContact CH2-CG 4.4Å; W221-L390 HydrophobicContact CZ2-CD1 4.37Å; W221-L390 HydrophobicContact CZ3-CD2 3.75Å; W221-L390 HydrophobicContact CZ3-CG 4.24Å |
| 222 | E | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.3 | -41.9 | 176.4 | -167.9 | 172.8 | -70.5 | 0 | 0 | 111.5 | R121 L218 H220 I225 R226 F234 I236 | R121-E222 IonicContact CZ-OE1 3.62Å; R121-E222 IonicContact NE-OE1 2.69Å; R121-E222 PolarHBondContact NE-OE1 2.82Å; R121-E222 VanDerWaalsContact NE-OE1 3.13Å; R121-E222 IonicContact NH2-OE1 4Å; R121-E222 PolarHBondContact NH2-OE1 3.17Å; L218-E222 VanDerWaalsContact O-CB 3.25Å; L218-E222 WeakPolarHBondContact O-CB 3.2Å; L218-E222 PolarHBondContact O-N 3.33Å; H220-E222 PolarHBondContact O-N 2.65Å; E222-I225 PolarHBondContact O-N 3.47Å; E222-R226 VanDerWaalsContact O-CG 3.23Å; E222-R226 WeakPolarHBondContact O-CG 3.49Å; E222-R226 PolarHBondContact O-N 2.87Å; E222-R226 IonicContact OE2-CZ 3.32Å; E222-R226 IonicContact OE2-NE 3.23Å; E222-R226 IonicContact OE2-NH1 3.62Å; E222-R226 PolarHBondContact OE2-NH1 2.91Å; E222-R226 IonicContact OE2-NH2 3.71Å; E222-R226 PolarHBondContact OE2-NH2 2.95Å; E222-F234 HydrophobicContact CG-CD1 4.06Å; E222-F234 HydrophobicContact CG-CE1 4.27Å; E222-I236 HydrophobicContact CB-CD1 3.89Å; E222-I236 HydrophobicContact CB-CG1 4.01Å; E222-I236 HydrophobicContact CG-CG1 4.12Å; E222-I236 PolarHBondContact OE1-N 3.26Å |
| 223 | N | 97.1 | Very high | 97.6 | Very high | 23 Ų | 23 | 21.9 Ų | 21.9 | 12% | 0.123 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.1 | -44.1 | 178.3 | -168.5 | 64 | 0 | 0 | 0 | 112.8 | E103 L219 H220 W221 I225 R226 K227 | E103-N223 PolarHBondContact OE2-ND2 3.23Å; L219-N223 WeakPolarHBondContact O-CB 3.49Å; L219-N223 PolarHBondContact O-N 2.94Å; H220-N223 PolarHBondContact O-N 2.79Å; W221-N223 VanDerWaalsContact C-N 3.31Å; W221-N223 PolarHBondContact O-N 3.43Å; N223-I225 VanDerWaalsContact C-N 3.34Å; N223-I225 PolarHBondContact O-N 3.22Å; N223-R226 WeakPolarHBondContact O-CB 3.5Å; N223-R226 PolarHBondContact O-N 3.49Å; N223-K227 WeakPolarHBondContact O-CG 3.5Å; N223-K227 PolarHBondContact O-N 3.44Å |
| 224 | E | 97.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.3 | -37.9 | 178.2 | -68.3 | -56 | 116.9 | 0 | 0 | 111.8 | N147 T174 F178 H220 W221 K227 I228 | N147-E224 PolarHBondContact ND2-OE2 3.19Å; T174-E224 HydrophobicContact CG2-CB 3.86Å; F178-E224 HydrophobicContact CE2-CB 3.93Å; F178-E224 HydrophobicContact CE2-CG 4.01Å; F178-E224 HydrophobicContact CZ-CB 4.06Å; F178-E224 HydrophobicContact CZ-CG 3.73Å; H220-E224 IonicContact CE1-OE1 2.78Å; H220-E224 WeakPolarHBondContact O-CG 3.39Å; H220-E224 PolarHBondContact O-N 2.91Å; W221-E224 PolarHBondContact O-N 3.11Å; E224-K227 PolarHBondContact O-N 3.44Å; E224-K227 IonicContact OE1-NZ 3.64Å; E224-K227 PolarHBondContact OE1-NZ 3.18Å; E224-K227 IonicContact OE2-NZ 2.66Å; E224-I228 PolarHBondContact O-N 3.08Å; E224-I228 VanDerWaalsContact O-N 3.15Å |
| 225 | I | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.3 | -43 | 172.7 | -67.2 | 170.5 | 0 | 0 | 0 | 111.1 | Y138 L139 A142 W221 E222 N223 K227 I228 T229 F234 | Y138-I225 HydrophobicContact CD2-CG2 4.12Å; Y138-I225 HydrophobicContact CG-CG2 4.44Å; L139-I225 HydrophobicContact CD2-CD1 3.92Å; A142-I225 HydrophobicContact CB-CG1 4.27Å; W221-I225 WeakPolarHBondContact O-CG1 3.47Å; W221-I225 PolarHBondContact O-N 2.98Å; W221-I225 VanDerWaalsContact O-N 3.08Å; E222-I225 PolarHBondContact O-N 3.47Å; N223-I225 VanDerWaalsContact C-N 3.34Å; N223-I225 PolarHBondContact O-N 3.22Å; I225-K227 VanDerWaalsContact C-N 3.28Å; I225-K227 PolarHBondContact O-N 3.35Å; I225-I228 WeakPolarHBondContact O-CG1 3.42Å; I225-I228 PolarHBondContact O-N 2.63Å; I225-T229 HydrophobicContact CG2-CG2 3.99Å; I225-T229 WeakPolarHBondContact O-CB 3.26Å; I225-T229 WeakPolarHBondContact O-CG2 3.14Å; I225-T229 PolarHBondContact O-N 2.81Å; I225-T229 PolarHBondContact O-OG1 2.69Å; I225-F234 HydrophobicContact CB-CD1 4.06Å; I225-F234 HydrophobicContact CB-CE1 3.79Å; I225-F234 HydrophobicContact CD1-CE1 3.92Å; I225-F234 HydrophobicContact CD1-CZ 4.18Å; I225-F234 HydrophobicContact CG1-CE1 4.47Å; I225-F234 HydrophobicContact CG2-CD1 3.64Å; I225-F234 HydrophobicContact CG2-CE1 3.46Å; I225-F234 VanDerWaalsContact CG2-CE1 3.46Å; I225-F234 HydrophobicContact CG2-CE2 4.39Å; I225-F234 HydrophobicContact CG2-CG 4.2Å; I225-F234 HydrophobicContact CG2-CZ 3.86Å |
| 226 | R | 97.3 | Very high | 97.5 | Very high | 16 Ų | 16 | 23.1 Ų | 23.1 | 6% | 0.06 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.5 | -42 | 175.7 | -74.3 | 167.8 | 169.1 | 160.5 | 5.4 | 111.7 | E222 N223 T229 G230 D231 F232 F234 | E222-R226 VanDerWaalsContact O-CG 3.23Å; E222-R226 WeakPolarHBondContact O-CG 3.49Å; E222-R226 PolarHBondContact O-N 2.87Å; E222-R226 IonicContact OE2-CZ 3.32Å; E222-R226 IonicContact OE2-NE 3.23Å; E222-R226 IonicContact OE2-NH1 3.62Å; E222-R226 PolarHBondContact OE2-NH1 2.91Å; E222-R226 IonicContact OE2-NH2 3.71Å; E222-R226 PolarHBondContact OE2-NH2 2.95Å; N223-R226 WeakPolarHBondContact O-CB 3.5Å; N223-R226 PolarHBondContact O-N 3.49Å; R226-T229 PolarHBondContact O-OG1 2.86Å; R226-G230 WeakPolarHBondContact O-CA 2.92Å; R226-G230 PolarHBondContact O-N 2.91Å; R226-D231 WeakPolarHBondContact CG-O 3.31Å; R226-F232 HydrophobicContact CB-CD1 3.86Å; R226-F232 HydrophobicContact CB-CE1 4.29Å; R226-F232 PolarHBondContact NE-O 3.3Å; R226-F234 HydrophobicContact CG-CB 3.98Å; R226-F234 HydrophobicContact CG-CD1 4.32Å; R226-F234 PolarHBondContact NE-O 3.4Å; R226-F234 PolarHBondContact NH2-O 3Å |
| 227 | K | 95.7 | Very high | 97.5 | Very high | 53 Ų | 53 | 23.1 Ų | 23.1 | 23% | 0.23 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.1 | -49.3 | -180 | -73.7 | 163.9 | 61.2 | -179.9 | 0 | 112 | E103 D149 N223 E224 I225 T229 F232 | E103-K227 IonicContact OE1-NZ 3.68Å; E103-K227 PolarHBondContact OE1-NZ 2.72Å; D149-K227 WeakPolarHBondContact OD2-CE 3.21Å; D149-K227 IonicContact OD2-NZ 3.38Å; D149-K227 PolarHBondContact OD2-NZ 3.02Å; N223-K227 WeakPolarHBondContact O-CG 3.5Å; N223-K227 PolarHBondContact O-N 3.44Å; E224-K227 PolarHBondContact O-N 3.44Å; E224-K227 IonicContact OE1-NZ 3.64Å; E224-K227 PolarHBondContact OE1-NZ 3.18Å; E224-K227 IonicContact OE2-NZ 2.66Å; I225-K227 VanDerWaalsContact C-N 3.28Å; I225-K227 PolarHBondContact O-N 3.35Å; K227-T229 VanDerWaalsContact C-N 3.33Å; K227-T229 PolarHBondContact O-N 2.87Å; K227-F232 HydrophobicContact CG-CE1 4.46Å |
| 228 | I | 97.6 | Very high | 97.5 | Very high | 36 Ų | 36 | 23.5 Ų | 23.5 | 19% | 0.185 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -74.1 | -23.2 | -178 | 67 | 170 | 0 | 0 | 0 | 113.4 | L141 A142 T145 P148 T174 E224 I225 | L141-I228 HydrophobicContact CG-CD1 4.47Å; A142-I228 HydrophobicContact CB-CD1 3.81Å; T145-I228 HydrophobicContact CG2-CG2 4.39Å; P148-I228 HydrophobicContact CG-CG2 4.48Å; T174-I228 HydrophobicContact CG2-CD1 3.98Å; E224-I228 PolarHBondContact O-N 3.08Å; E224-I228 VanDerWaalsContact O-N 3.15Å; I225-I228 WeakPolarHBondContact O-CG1 3.42Å; I225-I228 PolarHBondContact O-N 2.63Å |
| 229 | T | 97.8 | Very high | 97.5 | Very high | 33 Ų | 33 | 23.5 Ų | 23.5 | 20% | 0.202 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -92.3 | -24.2 | 179.3 | 57.9 | 0 | 0 | 0 | 0 | 113 | Y138 L141 I225 R226 K227 D231 | Y138-T229 HydrophobicContact CD1-CG2 3.64Å; Y138-T229 HydrophobicContact CD2-CG2 3.59Å; Y138-T229 HydrophobicContact CE1-CG2 3.82Å; Y138-T229 HydrophobicContact CE2-CG2 3.79Å; Y138-T229 HydrophobicContact CG-CG2 3.52Å; L141-T229 HydrophobicContact CD2-CG2 3.89Å; I225-T229 HydrophobicContact CG2-CG2 3.99Å; I225-T229 WeakPolarHBondContact O-CB 3.26Å; I225-T229 WeakPolarHBondContact O-CG2 3.14Å; I225-T229 PolarHBondContact O-N 2.81Å; I225-T229 PolarHBondContact O-OG1 2.69Å; R226-T229 PolarHBondContact O-OG1 2.86Å; K227-T229 VanDerWaalsContact C-N 3.33Å; K227-T229 PolarHBondContact O-N 2.87Å; T229-D231 PolarHBondContact O-N 2.96Å; T229-D231 PolarHBondContact OG1-N 3.46Å |
| 230 | G | 96.9 | Very high | 97.5 | Very high | 48 Ų | 48 | 24.9 Ų | 24.9 | 50% | 0.495 | 14% | 0.137 | S | C | . | . | trans | 70.4 | -0.4 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R226 F232 | R226-G230 WeakPolarHBondContact O-CA 2.92Å; R226-G230 PolarHBondContact O-N 2.91Å; G230-F232 PolarHBondContact O-N 2.62Å | ||
| 231 | D | 97.4 | Very high | 97.5 | Very high | 28 Ų | 28 | 24.6 Ų | 24.6 | 15% | 0.15 | 14% | 0.136 | C | C | . | . | trans | -89 | 83.6 | 175.3 | -179.3 | 10.3 | 0 | 0 | 0 | 109.9 | K134 Y138 R226 T229 N233 F234 | K134-D231 IonicContact NZ-OD2 3.88Å; K134-D231 PolarHBondContact NZ-OD2 3.18Å; Y138-D231 HydrophobicContact CE2-CB 3.79Å; Y138-D231 VanDerWaalsContact OH-CB 3.26Å; Y138-D231 WeakPolarHBondContact OH-CB 3.39Å; Y138-D231 PolarHBondContact OH-OD2 3.23Å; R226-D231 WeakPolarHBondContact CG-O 3.31Å; T229-D231 PolarHBondContact O-N 2.96Å; T229-D231 PolarHBondContact OG1-N 3.46Å; D231-N233 PolarHBondContact O-N 3.28Å; D231-N233 VanDerWaalsContact O-N 3.11Å; D231-N233 WeakPolarHBondContact OD1-CB 3.19Å; D231-N233 PolarHBondContact OD1-N 2.92Å; D231-F234 HydrophobicContact CB-CB 4.48Å; D231-F234 WeakPolarHBondContact O-CB 3.44Å; D231-F234 PolarHBondContact O-N 3.4Å; D231-F234 PolarHBondContact OD1-N 2.97Å | ||
| 232 | F | 94.2 | Very high | 97.4 | Very high | 95 Ų | 95 | 27.1 Ų | 27.1 | 42% | 0.417 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -7.6 | 177.4 | -69.2 | -71.3 | 0 | 0 | 0 | 114 | W109 R117 R226 K227 G230 | W109-F232 HydrophobicContact CH2-CB 4.16Å; W109-F232 HydrophobicContact CH2-CD1 4.34Å; W109-F232 WeakPolarHBondContact CH2-O 3.24Å; W109-F232 HydrophobicContact CZ3-CB 3.69Å; W109-F232 AromaticContact CZ3-CD1 3.65Å; W109-F232 HydrophobicContact CZ3-CD1 3.65Å; W109-F232 AromaticContact CZ3-CG 3.97Å; W109-F232 HydrophobicContact CZ3-CG 3.97Å; R117-F232 PolarHBondContact NH2-O 2.96Å; R226-F232 HydrophobicContact CB-CD1 3.86Å; R226-F232 HydrophobicContact CB-CE1 4.29Å; R226-F232 PolarHBondContact NE-O 3.3Å; K227-F232 HydrophobicContact CG-CE1 4.46Å; G230-F232 PolarHBondContact O-N 2.62Å |
| 233 | N | 94.3 | Very high | 97.3 | Very high | 108 Ų | 108 | 30.9 Ų | 30.9 | 58% | 0.578 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -5.5 | 172.4 | -64 | -29.4 | 0 | 0 | 0 | 112.8 | R117 D231 T235 | R117-N233 PolarHBondContact NH1-OD1 3.43Å; D231-N233 PolarHBondContact O-N 3.28Å; D231-N233 VanDerWaalsContact O-N 3.11Å; D231-N233 WeakPolarHBondContact OD1-CB 3.19Å; D231-N233 PolarHBondContact OD1-N 2.92Å; N233-T235 PolarHBondContact O-N 3.28Å |
| 234 | F | 97.5 | Very high | 97.2 | Very high | 5 Ų | 5 | 30 Ų | 30 | 2% | 0.022 | 16% | 0.162 | C | C | . | . | trans | -55.3 | 137.5 | 177 | 174.6 | -103.7 | 0 | 0 | 0 | 111.4 | F135 Y138 E222 I225 R226 D231 I236 | F135-F234 AromaticContact CD2-CE2 3.76Å; F135-F234 HydrophobicContact CD2-CE2 3.76Å; F135-F234 AromaticContact CD2-CZ 3.79Å; F135-F234 HydrophobicContact CD2-CZ 3.79Å; F135-F234 HydrophobicContact CE2-CE2 4.46Å; F135-F234 HydrophobicContact CE2-CZ 4.04Å; Y138-F234 HydrophobicContact CD2-CB 4.48Å; Y138-F234 AromaticContact CD2-CD2 3.42Å; Y138-F234 HydrophobicContact CD2-CD2 3.42Å; Y138-F234 VanDerWaalsContact CD2-CD2 3.42Å; Y138-F234 AromaticContact CD2-CE2 3.72Å; Y138-F234 HydrophobicContact CD2-CE2 3.72Å; Y138-F234 HydrophobicContact CD2-CG 4.01Å; Y138-F234 HydrophobicContact CE2-CB 4.3Å; Y138-F234 AromaticContact CE2-CD2 3.87Å; Y138-F234 HydrophobicContact CE2-CD2 3.87Å; Y138-F234 HydrophobicContact CE2-CG 4.31Å; E222-F234 HydrophobicContact CG-CD1 4.06Å; E222-F234 HydrophobicContact CG-CE1 4.27Å; I225-F234 HydrophobicContact CB-CD1 4.06Å; I225-F234 HydrophobicContact CB-CE1 3.79Å; I225-F234 HydrophobicContact CD1-CE1 3.92Å; I225-F234 HydrophobicContact CD1-CZ 4.18Å; I225-F234 HydrophobicContact CG1-CE1 4.47Å; I225-F234 HydrophobicContact CG2-CD1 3.64Å; I225-F234 HydrophobicContact CG2-CE1 3.46Å; I225-F234 VanDerWaalsContact CG2-CE1 3.46Å; I225-F234 HydrophobicContact CG2-CE2 4.39Å; I225-F234 HydrophobicContact CG2-CG 4.2Å; I225-F234 HydrophobicContact CG2-CZ 3.86Å; R226-F234 HydrophobicContact CG-CB 3.98Å; R226-F234 HydrophobicContact CG-CD1 4.32Å; R226-F234 PolarHBondContact NE-O 3.4Å; R226-F234 PolarHBondContact NH2-O 3Å; D231-F234 HydrophobicContact CB-CB 4.48Å; D231-F234 WeakPolarHBondContact O-CB 3.44Å; D231-F234 PolarHBondContact O-N 3.4Å; D231-F234 PolarHBondContact OD1-N 2.97Å; F234-I236 HydrophobicContact CE1-CG1 4.07Å; F234-I236 HydrophobicContact CZ-CG1 4.4Å | ||
| 235 | T | 97.9 | Very high | 97 | Very high | 26 Ų | 26 | 38 Ų | 38 | 16% | 0.16 | 20% | 0.199 | C | C | . | . | trans | -134.5 | 147.9 | 171 | 56.5 | 0 | 0 | 0 | 0 | 109.9 | S119 V120 N233 P237 | S119-T235 VanDerWaalsContact CB-CG2 3.46Å; V120-T235 PolarHBondContact O-OG1 2.87Å; N233-T235 PolarHBondContact O-N 3.28Å; T235-P237 WeakPolarHBondContact O-CD 3.35Å | ||
| 236 | I | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -75 | 119.8 | 172.4 | -62.1 | 177.8 | 0 | 0 | 0 | 108.2 | R121 L218 W221 E222 F234 L390 A394 | R121-I236 VanDerWaalsContact CD-O 3.28Å; R121-I236 WeakPolarHBondContact CD-O 3.29Å; R121-I236 WeakPolarHBondContact CG-O 3.45Å; L218-I236 HydrophobicContact CD2-CD1 4.22Å; W221-I236 HydrophobicContact CB-CD1 4.31Å; E222-I236 HydrophobicContact CB-CD1 3.89Å; E222-I236 HydrophobicContact CB-CG1 4.01Å; E222-I236 HydrophobicContact CG-CG1 4.12Å; E222-I236 PolarHBondContact OE1-N 3.26Å; F234-I236 HydrophobicContact CE1-CG1 4.07Å; F234-I236 HydrophobicContact CZ-CG1 4.4Å; I236-L390 HydrophobicContact CD1-CD2 3.78Å; I236-L390 HydrophobicContact CG2-CB 3.96Å; I236-L390 HydrophobicContact CG2-CD2 4.36Å; I236-A394 HydrophobicContact CG2-CB 4.21Å | ||
| 237 | P | 98.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | trans | -76.3 | 167.4 | 176.1 | 33.3 | -32.2 | 0 | 0 | 0 | 111 | R122 I124 M127 F135 T235 L391 A394 | R122-P237 VanDerWaalsContact O-CA 3.28Å; R122-P237 WeakPolarHBondContact O-CA 3.16Å; R122-P237 VanDerWaalsContact O-CB 3.22Å; R122-P237 WeakPolarHBondContact O-CB 3.03Å; I124-P237 HydrophobicContact CB-CB 4.14Å; I124-P237 HydrophobicContact CB-CG 4.33Å; I124-P237 HydrophobicContact CD1-CG 4.23Å; I124-P237 HydrophobicContact CG1-CG 4.4Å; M127-P237 HydrophobicContact CE-CB 4.34Å; M127-P237 HydrophobicContact SD-CB 3.5Å; M127-P237 VanDerWaalsContact SD-CB 3.5Å; M127-P237 HydrophobicContact SD-CG 4.16Å; F135-P237 HydrophobicContact CD1-CG 4.18Å; F135-P237 HydrophobicContact CD2-CG 3.89Å; F135-P237 HydrophobicContact CE1-CG 4.25Å; F135-P237 HydrophobicContact CE2-CG 4Å; F135-P237 HydrophobicContact CG-CG 4Å; F135-P237 HydrophobicContact CZ-CG 4.15Å; T235-P237 WeakPolarHBondContact O-CD 3.35Å; P237-L391 HydrophobicContact CB-CD2 4.43Å; P237-L391 HydrophobicContact CG-CD2 3.74Å; P237-L391 WeakPolarHBondContact O-CD2 3.02Å; P237-A394 WeakPolarHBondContact O-CB 3.34Å | ||
| 238 | Y | 98.8 | Very high | 97 | Very high | 8 Ų | 8 | 43 Ų | 43 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -114.4 | 156.7 | 175.2 | 64.8 | -89.4 | 0 | 0 | 0 | 111.2 | R121 R122 N123 I124 D240 F395 Y452 Y454 | R121-Y238 HydrophobicContact CB-CD1 4.46Å; R121-Y238 WeakPolarHBondContact O-CE1 3.48Å; R122-Y238 VanDerWaalsContact C-CD1 3.49Å; R122-Y238 VanDerWaalsContact O-CD1 3.28Å; R122-Y238 WeakPolarHBondContact O-CD1 3.45Å; R122-Y238 PolarHBondContact O-N 3.48Å; N123-Y238 WeakPolarHBondContact CA-O 3.33Å; N123-Y238 HydrophobicContact CB-CD2 4.24Å; N123-Y238 HydrophobicContact CB-CE1 4.31Å; N123-Y238 HydrophobicContact CB-CE2 3.55Å; N123-Y238 VanDerWaalsContact N-CE1 3.27Å; I124-Y238 PolarHBondContact N-O 3.27Å; Y238-D240 HydrophobicContact CD2-CB 4.32Å; Y238-D240 HydrophobicContact CE2-CB 4.12Å; Y238-F395 AromaticContact CD2-CD2 3.57Å; Y238-F395 HydrophobicContact CD2-CD2 3.57Å; Y238-F395 HydrophobicContact CD2-CE2 4.26Å; Y238-F395 HydrophobicContact CD2-CG 4.47Å; Y238-F395 HydrophobicContact CE2-CD2 4.15Å; Y238-F395 HydrophobicContact CE2-CE2 4.42Å; Y238-F395 HydrophobicContact CG-CD2 4.33Å; Y238-Y452 AromaticContact CD1-CD1 3.53Å; Y238-Y452 HydrophobicContact CD1-CD1 3.53Å; Y238-Y452 AromaticContact CD1-CE1 3.87Å; Y238-Y452 HydrophobicContact CD1-CE1 3.87Å; Y238-Y452 AromaticContact CE1-CD1 3.79Å; Y238-Y452 HydrophobicContact CE1-CD1 3.79Å; Y238-Y452 HydrophobicContact CG-CD1 4.33Å; Y238-Y452 HydrophobicContact CG-CE1 4.4Å; Y238-Y454 HydrophobicContact CE1-CD1 4.32Å; Y238-Y454 HydrophobicContact CE2-CD1 4.11Å; Y238-Y454 HydrophobicContact CE2-CE1 4.34Å; Y238-Y454 AromaticContact CZ-CD1 3.66Å; Y238-Y454 VanDerWaalsContact OH-CD1 3.32Å; Y238-Y454 WeakPolarHBondContact OH-CD1 3.27Å |
| 239 | W | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -108.4 | 112.6 | 164.9 | 170 | 31.3 | 0 | 0 | 0 | 108.9 | I124 W241 A244 E248 V249 L369 M373 I388 L391 F395 | I124-W239 HydrophobicContact CG2-CB 4.31Å; W239-W241 HydrophobicContact CD2-CB 3.96Å; W239-W241 HydrophobicContact CE3-CB 4.32Å; W239-W241 HydrophobicContact CG-CB 4.47Å; W239-W241 HydrophobicContact CH2-CB 4.22Å; W239-W241 HydrophobicContact CZ2-CB 3.84Å; W239-W241 HydrophobicContact CZ3-CB 4.45Å; W239-W241 VanDerWaalsContact O-CD1 3.26Å; W239-W241 PolarHBondContact O-N 3.33Å; W239-A244 HydrophobicContact CZ2-CB 4.26Å; W239-E248 PolarHBondContact NE1-OE2 3.42Å; W239-V249 HydrophobicContact CB-CG1 4.07Å; W239-V249 HydrophobicContact CD2-CG1 3.85Å; W239-V249 HydrophobicContact CD2-CG2 3.95Å; W239-V249 HydrophobicContact CE3-CG1 4.4Å; W239-V249 HydrophobicContact CE3-CG2 3.68Å; W239-V249 HydrophobicContact CG-CG1 3.67Å; W239-V249 HydrophobicContact CH2-CG2 4.4Å; W239-V249 HydrophobicContact CZ3-CG2 3.92Å; W239-L369 HydrophobicContact CE3-CD2 4.2Å; W239-L369 HydrophobicContact CH2-CD1 3.89Å; W239-L369 HydrophobicContact CZ3-CD1 3.88Å; W239-L369 HydrophobicContact CZ3-CD2 3.82Å; W239-L369 HydrophobicContact CZ3-CG 4.36Å; W239-M373 HydrophobicContact CH2-CE 3.74Å; W239-M373 HydrophobicContact CZ3-CE 3.45Å; W239-M373 VanDerWaalsContact CZ3-CE 3.45Å; W239-I388 HydrophobicContact CE3-CG2 4.24Å; W239-I388 HydrophobicContact CZ3-CG2 4.16Å; W239-L391 HydrophobicContact CB-CB 3.83Å; W239-L391 HydrophobicContact CB-CD1 4.19Å; W239-L391 PolarHBondContact N-O 3.45Å; W239-L391 VanDerWaalsContact N-O 3.15Å; W239-F395 WeakPolarHBondContact O-CB 3.38Å; W239-F395 WeakPolarHBondContact O-CG 3.27Å | ||
| 240 | D | 98.1 | Very high | 97.1 | Very high | 35 Ų | 35 | 40.9 Ų | 40.9 | 19% | 0.187 | 22% | 0.223 | C | C | . | . | trans | -73.5 | 92.2 | 169.9 | -173.2 | -7.5 | 0 | 0 | 0 | 109.3 | N123 Y238 R242 F395 | N123-D240 WeakPolarHBondContact ND2-CB 3.15Å; Y238-D240 HydrophobicContact CD2-CB 4.32Å; Y238-D240 HydrophobicContact CE2-CB 4.12Å; D240-R242 VanDerWaalsContact C-N 3.26Å; D240-R242 PolarHBondContact O-N 3.25Å; D240-R242 WeakPolarHBondContact OD1-CB 3.38Å; D240-R242 VanDerWaalsContact OD1-CG 3.31Å; D240-R242 WeakPolarHBondContact OD1-CG 3.02Å; D240-R242 IonicContact OD1-CZ 2.75Å; D240-R242 PolarHBondContact OD1-N 3.05Å; D240-R242 IonicContact OD1-NE 2.73Å; D240-R242 PolarHBondContact OD1-NE 3.3Å; D240-R242 IonicContact OD1-NH2 2.7Å; D240-R242 IonicContact OD2-CZ 2.79Å; D240-R242 IonicContact OD2-NE 3.17Å; D240-R242 PolarHBondContact OD2-NE 2.98Å; D240-R242 IonicContact OD2-NH2 2.84Å; D240-R242 PolarHBondContact OD2-NH2 3.3Å; D240-F395 HydrophobicContact CB-CD2 4.26Å; D240-F395 HydrophobicContact CB-CE2 3.81Å; D240-F395 HydrophobicContact CB-CZ 4.17Å; D240-F395 WeakPolarHBondContact OD1-CZ 3.45Å | ||
| 241 | W | 97.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -84.3 | 4.9 | -178 | 47.3 | -105.7 | 0 | 0 | 0 | 113.2 | W239 N243 A244 P316 V321 M365 L369 H392 F395 I396 I399 | W239-W241 HydrophobicContact CD2-CB 3.96Å; W239-W241 HydrophobicContact CE3-CB 4.32Å; W239-W241 HydrophobicContact CG-CB 4.47Å; W239-W241 HydrophobicContact CH2-CB 4.22Å; W239-W241 HydrophobicContact CZ2-CB 3.84Å; W239-W241 HydrophobicContact CZ3-CB 4.45Å; W239-W241 VanDerWaalsContact O-CD1 3.26Å; W239-W241 PolarHBondContact O-N 3.33Å; W241-N243 PolarHBondContact O-N 3.09Å; W241-A244 HydrophobicContact CB-CB 4.48Å; W241-A244 WeakPolarHBondContact O-CB 3.45Å; W241-A244 PolarHBondContact O-N 3.4Å; W241-P316 HydrophobicContact CE3-CB 4.28Å; W241-P316 HydrophobicContact CE3-CG 3.88Å; W241-P316 HydrophobicContact CH2-CB 4.04Å; W241-P316 HydrophobicContact CH2-CG 3.72Å; W241-P316 HydrophobicContact CZ3-CB 3.45Å; W241-P316 VanDerWaalsContact CZ3-CB 3.45Å; W241-P316 HydrophobicContact CZ3-CG 3.3Å; W241-V321 HydrophobicContact CH2-CG2 4.34Å; W241-V321 HydrophobicContact CZ3-CG2 4.41Å; W241-M365 HydrophobicContact CH2-CE 4.47Å; W241-L369 HydrophobicContact CB-CD1 4.44Å; W241-L369 HydrophobicContact CG-CD1 4.44Å; W241-L369 HydrophobicContact CG-CD2 4.15Å; W241-H392 AromaticContact CD1-ND1 3.76Å; W241-H392 AromaticContact CE2-ND1 3.98Å; W241-H392 AromaticContact NE1-CE1 3.6Å; W241-H392 AromaticContact NE1-ND1 3.11Å; W241-H392 PolarHBondContact NE1-ND1 2.73Å; W241-H392 VanDerWaalsContact NE1-ND1 3.11Å; W241-F395 AromaticContact CD1-CD1 3.86Å; W241-F395 HydrophobicContact CD2-CD1 4.06Å; W241-F395 HydrophobicContact CD2-CE1 4.13Å; W241-F395 AromaticContact CE2-CD1 3.47Å; W241-F395 VanDerWaalsContact CE2-CD1 3.47Å; W241-F395 AromaticContact CE2-CE1 3.87Å; W241-F395 HydrophobicContact CE3-CE1 4.43Å; W241-F395 HydrophobicContact CG-CD1 4.32Å; W241-F395 HydrophobicContact CH2-CD1 4.47Å; W241-F395 HydrophobicContact CH2-CE1 4.26Å; W241-F395 AromaticContact CZ2-CD1 3.76Å; W241-F395 HydrophobicContact CZ2-CD1 3.76Å; W241-F395 AromaticContact CZ2-CE1 3.99Å; W241-F395 HydrophobicContact CZ2-CE1 3.99Å; W241-F395 HydrophobicContact CZ3-CE1 4.42Å; W241-F395 AromaticContact NE1-CD1 3.35Å; W241-I396 HydrophobicContact CZ2-CD1 3.82Å; W241-I399 HydrophobicContact CH2-CD1 4.42Å; W241-I399 HydrophobicContact CZ2-CD1 4.41Å | ||
| 242 | R | 96.4 | Very high | 97.2 | Very high | 53 Ų | 53 | 43.5 Ų | 43.5 | 20% | 0.2 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 128.2 | -178.5 | -69.1 | 177.2 | -65.3 | -177.9 | -3.4 | 110.5 | D240 A244 V321 F395 | D240-R242 VanDerWaalsContact C-N 3.26Å; D240-R242 PolarHBondContact O-N 3.25Å; D240-R242 WeakPolarHBondContact OD1-CB 3.38Å; D240-R242 VanDerWaalsContact OD1-CG 3.31Å; D240-R242 WeakPolarHBondContact OD1-CG 3.02Å; D240-R242 IonicContact OD1-CZ 2.75Å; D240-R242 PolarHBondContact OD1-N 3.05Å; D240-R242 IonicContact OD1-NE 2.73Å; D240-R242 PolarHBondContact OD1-NE 3.3Å; D240-R242 IonicContact OD1-NH2 2.7Å; D240-R242 IonicContact OD2-CZ 2.79Å; D240-R242 IonicContact OD2-NE 3.17Å; D240-R242 PolarHBondContact OD2-NE 2.98Å; D240-R242 IonicContact OD2-NH2 2.84Å; D240-R242 PolarHBondContact OD2-NH2 3.3Å; R242-A244 PolarHBondContact O-N 3.11Å; R242-V321 HydrophobicContact CG-CG2 3.89Å; R242-F395 HydrophobicContact CG-CE1 3.88Å; R242-F395 HydrophobicContact CG-CZ 3.79Å |
| 243 | N | 97 | Very high | 97.3 | Very high | 81 Ų | 81 | 42.2 Ų | 42.2 | 43% | 0.433 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 8.3 | -178.6 | -38.5 | -66.6 | 0 | 0 | 0 | 114.4 | W241 Q245 P316 T317 T318 | W241-N243 PolarHBondContact O-N 3.09Å; N243-Q245 PolarHBondContact O-N 3.21Å; N243-Q245 PolarHBondContact O-NE2 2.88Å; N243-P316 PolarHBondContact N-O 3.46Å; N243-T317 VanDerWaalsContact OD1-CA 3.25Å; N243-T317 WeakPolarHBondContact OD1-CA 2.97Å; N243-T317 VanDerWaalsContact OD1-CB 3.28Å; N243-T317 WeakPolarHBondContact OD1-CB 3.17Å; N243-T318 PolarHBondContact ND2-OG1 2.73Å; N243-T318 PolarHBondContact OD1-N 3.4Å |
| 244 | A | 96.1 | Very high | 97.4 | Very high | 5 Ų | 5 | 37.5 Ų | 37.5 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | trans | -60.7 | 137.8 | 174 | 0 | 0 | 0 | 0 | 0 | 110 | W239 W241 R242 L315 | W239-A244 HydrophobicContact CZ2-CB 4.26Å; W241-A244 HydrophobicContact CB-CB 4.48Å; W241-A244 WeakPolarHBondContact O-CB 3.45Å; W241-A244 PolarHBondContact O-N 3.4Å; R242-A244 PolarHBondContact O-N 3.11Å; A244-L315 HydrophobicContact CB-CD1 4.22Å; A244-L315 WeakPolarHBondContact O-CB 3.36Å; A244-L315 WeakPolarHBondContact O-CD1 3.25Å | ||
| 245 | Q | 93.3 | Very high | 97.5 | Very high | 167 Ų | 167 | 37.3 Ų | 37.3 | 78% | 0.78 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -104 | -11.6 | 175.7 | -59.8 | -59.6 | -44.6 | 0 | 0 | 112.1 | N243 | N243-Q245 PolarHBondContact O-N 3.21Å; N243-Q245 PolarHBondContact O-NE2 2.88Å |
| 246 | S | 95.9 | Very high | 97.5 | Very high | 69 Ų | 69 | 36 Ų | 36 | 48% | 0.483 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -151 | 169 | -176.5 | 56.7 | 0 | 0 | 0 | 0 | 110 | E248 | S246-E248 PolarHBondContact O-N 2.84Š|
| 247 | C | 97.4 | Very high | 97.4 | Very high | 18 Ų | 18 | 36.5 Ų | 36.5 | 12% | 0.122 | 21% | 0.205 | C | C | . | . | trans | -74.9 | 94.2 | 171 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | V249 C250 P304 F372 M373 | C247-V249 VanDerWaalsContact C-N 3.3Å; C247-V249 PolarHBondContact O-N 2.98Å; C247-C250 HydrophobicContact CB-CB 3.64Å; C247-C250 WeakPolarHBondContact CB-SG 3.46Å; C247-C250 WeakPolarHBondContact O-CB 3.33Å; C247-C250 PolarHBondContact O-N 3.44Å; C247-C250 WeakPolarHBondContact SG-CB 3.44Å; C247-C250 PolarHBondContact SG-N 2.89Å; C247-C250 CovalentContact SG-SG 2.03Å; C247-C250 PolarHBondContact SG-SG 3.07Å; C247-P304 HydrophobicContact CB-CB 3.8Å; C247-P304 HydrophobicContact CB-CG 3.94Å; C247-F372 HydrophobicContact CB-CE1 4.26Å; C247-M373 HydrophobicContact CB-CE 4.32Å | ||
| 248 | E | 97.5 | Very high | 97.4 | Very high | 87 Ų | 87 | 43 Ų | 43 | 41% | 0.407 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -28.9 | -178.7 | -62.8 | 169.5 | 117.5 | 0 | 0 | 112.9 | M125 W239 S246 C250 | M125-E248 HydrophobicContact CE-CB 3.96Å; M125-E248 HydrophobicContact SD-CB 4.5Å; W239-E248 PolarHBondContact NE1-OE2 3.42Å; S246-E248 PolarHBondContact O-N 2.84Å; E248-C250 VanDerWaalsContact C-N 3.32Å |
| 249 | V | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -7.9 | 177.1 | -61.8 | 0 | 0 | 0 | 0 | 113.4 | I124 M125 W239 C247 T251 L254 M255 I388 L391 | I124-V249 HydrophobicContact CG2-CG1 3.86Å; M125-V249 HydrophobicContact SD-CG1 3.72Å; W239-V249 HydrophobicContact CB-CG1 4.07Å; W239-V249 HydrophobicContact CD2-CG1 3.85Å; W239-V249 HydrophobicContact CD2-CG2 3.95Å; W239-V249 HydrophobicContact CE3-CG1 4.4Å; W239-V249 HydrophobicContact CE3-CG2 3.68Å; W239-V249 HydrophobicContact CG-CG1 3.67Å; W239-V249 HydrophobicContact CH2-CG2 4.4Å; W239-V249 HydrophobicContact CZ3-CG2 3.92Å; C247-V249 VanDerWaalsContact C-N 3.3Å; C247-V249 PolarHBondContact O-N 2.98Å; V249-T251 PolarHBondContact O-N 3.01Å; V249-L254 HydrophobicContact CB-CD1 4.46Å; V249-L254 HydrophobicContact CG1-CD1 4.47Å; V249-L254 VanDerWaalsContact O-CB 3.29Å; V249-L254 WeakPolarHBondContact O-CB 3.34Å; V249-M255 HydrophobicContact CB-CG 4.03Å; V249-M255 HydrophobicContact CG2-CB 4.49Å; V249-M255 HydrophobicContact CG2-CG 4.13Å; V249-M255 WeakPolarHBondContact O-CB 3.47Å; V249-M255 PolarHBondContact O-N 3.21Å; V249-I388 HydrophobicContact CG2-CD1 3.98Å; V249-I388 HydrophobicContact CG2-CG1 4.15Å; V249-L391 HydrophobicContact CB-CD1 4.27Å; V249-L391 HydrophobicContact CG1-CD1 4.08Å; V249-L391 HydrophobicContact CG2-CD1 4.28Å |
| 250 | C | 98.3 | Very high | 97.2 | Very high | 25 Ų | 25 | 49.2 Ų | 49.2 | 17% | 0.169 | 27% | 0.273 | C | S | . | . | trans | -82.2 | 65.4 | 179.8 | -67.6 | 0 | 0 | 0 | 0 | 111.4 | C247 E248 G256 G257 | C247-C250 HydrophobicContact CB-CB 3.64Å; C247-C250 WeakPolarHBondContact CB-SG 3.46Å; C247-C250 WeakPolarHBondContact O-CB 3.33Å; C247-C250 PolarHBondContact O-N 3.44Å; C247-C250 WeakPolarHBondContact SG-CB 3.44Å; C247-C250 PolarHBondContact SG-N 2.89Å; C247-C250 CovalentContact SG-SG 2.03Å; C247-C250 PolarHBondContact SG-SG 3.07Å; E248-C250 VanDerWaalsContact C-N 3.32Å; C250-G256 CarbonylContact C-O 3.16Å; C250-G256 WeakPolarHBondContact CA-O 3.14Å; C250-G257 WeakPolarHBondContact O-CA 3.44Å | ||
| 251 | T | 98.1 | Very high | 97.1 | Very high | 60 Ų | 60 | 55.3 Ų | 55.3 | 37% | 0.368 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -128.1 | 156.7 | 174.9 | 69 | 0 | 0 | 0 | 0 | 110.1 | V249 A253 L254 M255 G256 | V249-T251 PolarHBondContact O-N 3.01Å; T251-A253 PolarHBondContact O-N 3.4Å; T251-L254 CarbonylContact O-C 3.48Å; T251-L254 PolarHBondContact O-N 2.75Å; T251-L254 PolarHBondContact OG1-N 3.46Å; T251-M255 PolarHBondContact O-N 2.71Å; T251-G256 CarbonylContact O-C 3.22Å; T251-G256 VanDerWaalsContact O-CA 3.26Å; T251-G256 WeakPolarHBondContact O-CA 3.45Å; T251-G256 PolarHBondContact O-N 3.11Å |
| 252 | D | 97.8 | Very high | 97.1 | Very high | 71 Ų | 71 | 58.2 Ų | 58.2 | 38% | 0.38 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -19.8 | 179.6 | -70 | -21.9 | 0 | 0 | 0 | 113.4 | L254 G257 S267 A269 | D252-L254 VanDerWaalsContact C-N 3.34Å; D252-G257 WeakPolarHBondContact OD1-CA 3.37Å; D252-G257 PolarHBondContact OD1-N 3.25Å; D252-S267 WeakPolarHBondContact OD1-CB 3.43Å; D252-S267 PolarHBondContact OD1-OG 2.82Å; D252-S267 PolarHBondContact OD2-OG 2.82Å; D252-A269 HydrophobicContact CB-CB 4.21Å; D252-A269 WeakPolarHBondContact OD2-CB 3.34Å |
| 253 | A | 96.4 | Very high | 97.1 | Very high | 67 Ų | 67 | 58.6 Ų | 58.6 | 55% | 0.554 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -18.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | I136 T251 | I136-A253 WeakPolarHBondContact CD1-O 3.41Å; T251-A253 PolarHBondContact O-N 3.4Å |
| 254 | L | 98 | Very high | 97.1 | Very high | 10 Ų | 10 | 58.1 Ų | 58.1 | 5% | 0.052 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122 | -114.8 | -177.5 | -67.9 | 178.3 | 0 | 0 | 0 | 110.7 | I124 M125 Q132 I136 V249 T251 D252 G256 F272 | I124-L254 HydrophobicContact CD1-CD2 4.01Å; I124-L254 HydrophobicContact CG1-CD2 4.07Å; M125-L254 HydrophobicContact SD-CD1 4.02Å; Q132-L254 HydrophobicContact CB-CD2 3.93Å; Q132-L254 HydrophobicContact CG-CD2 3.8Å; I136-L254 WeakPolarHBondContact CD1-O 3.42Å; V249-L254 HydrophobicContact CB-CD1 4.46Å; V249-L254 HydrophobicContact CG1-CD1 4.47Å; V249-L254 VanDerWaalsContact O-CB 3.29Å; V249-L254 WeakPolarHBondContact O-CB 3.34Å; T251-L254 CarbonylContact O-C 3.48Å; T251-L254 PolarHBondContact O-N 2.75Å; T251-L254 PolarHBondContact OG1-N 3.46Å; D252-L254 VanDerWaalsContact C-N 3.34Å; L254-G256 PolarHBondContact O-N 2.99Å; L254-F272 WeakPolarHBondContact O-CE2 3.39Å |
| 255 | M | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 11.4 | -169.5 | -56.8 | -57.9 | 141.5 | 0 | 0 | 113.9 | I124 F135 I136 V249 T251 F272 R302 P387 I388 L391 | I124-M255 HydrophobicContact CD1-CE 3.24Å; F135-M255 HydrophobicContact CD1-CE 3.71Å; F135-M255 HydrophobicContact CE1-CE 3.46Å; F135-M255 VanDerWaalsContact CE1-CE 3.46Å; F135-M255 HydrophobicContact CE1-SD 4.32Å; I136-M255 HydrophobicContact CG1-CE 4.49Å; V249-M255 HydrophobicContact CB-CG 4.03Å; V249-M255 HydrophobicContact CG2-CB 4.49Å; V249-M255 HydrophobicContact CG2-CG 4.13Å; V249-M255 WeakPolarHBondContact O-CB 3.47Å; V249-M255 PolarHBondContact O-N 3.21Å; T251-M255 PolarHBondContact O-N 2.71Å; M255-F272 HydrophobicContact SD-CE2 4.19Å; M255-F272 HydrophobicContact SD-CZ 4.43Å; M255-R302 PolarHBondContact O-NH1 2.9Å; M255-R302 PolarHBondContact O-NH2 3.5Å; M255-P387 HydrophobicContact SD-CB 4.21Å; M255-P387 HydrophobicContact SD-CG 4.34Å; M255-I388 HydrophobicContact CB-CD1 4.11Å; M255-I388 HydrophobicContact CB-CG1 3.71Å; M255-I388 HydrophobicContact CG-CG1 3.85Å; M255-L391 HydrophobicContact CE-CD1 3.76Å; M255-L391 HydrophobicContact CE-CD2 4.4Å; M255-L391 HydrophobicContact CE-CG 4.36Å; M255-L391 HydrophobicContact CG-CD1 3.81Å; M255-L391 HydrophobicContact SD-CD1 4.11Å |
| 256 | G | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | 90.7 | 130.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C250 T251 L254 S270 R302 | C250-G256 CarbonylContact C-O 3.16Å; C250-G256 WeakPolarHBondContact CA-O 3.14Å; T251-G256 CarbonylContact O-C 3.22Å; T251-G256 VanDerWaalsContact O-CA 3.26Å; T251-G256 WeakPolarHBondContact O-CA 3.45Å; T251-G256 PolarHBondContact O-N 3.11Å; L254-G256 PolarHBondContact O-N 2.99Å; G256-S270 VanDerWaalsContact CA-CB 3.47Å; G256-S270 VanDerWaalsContact CA-OG 3.27Å; G256-S270 WeakPolarHBondContact CA-OG 3.14Å; G256-R302 PolarHBondContact O-NH1 3.4Å | ||
| 257 | G | 97.6 | Very high | 97.6 | Very high | 9 Ų | 9 | 49.8 Ų | 49.8 | 9% | 0.093 | 28% | 0.282 | C | S | . | . | trans | -77 | 174.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | C250 D252 I266 S267 | C250-G257 WeakPolarHBondContact O-CA 3.44Å; D252-G257 WeakPolarHBondContact OD1-CA 3.37Å; D252-G257 PolarHBondContact OD1-N 3.25Å; G257-I266 CarbonylContact O-C 3.45Å; G257-I266 WeakPolarHBondContact O-CA 3.3Å; G257-S267 WeakPolarHBondContact O-CB 3.11Å; G257-S267 PolarHBondContact O-N 2.99Å | ||
| 258 | R | 97.4 | Very high | 97.7 | Very high | 139 Ų | 139 | 53.7 Ų | 53.7 | 53% | 0.525 | 31% | 0.307 | S | S | . | . | B | Isolated β-bridge | trans | -73.7 | 133.9 | 173.7 | -178.9 | 179.7 | -80 | 161.6 | -0.6 | 110.3 | P263 N303 P304 | R258-P263 HydrophobicContact CG-CB 4.34Å; R258-N303 PolarHBondContact NH2-OD1 2.89Å; R258-P304 PolarHBondContact NH2-O 3.42Å; R258-P304 VanDerWaalsContact NH2-O 3.12Å |
| 259 | N | 97.8 | Very high | 97.7 | Very high | 20 Ų | 20 | 53.2 Ų | 53.2 | 11% | 0.107 | 32% | 0.318 | C | S | . | . | trans | -68.5 | 134.6 | 172.4 | -177.3 | -54.5 | 0 | 0 | 0 | 111 | L261 N262 L265 P268 | N259-L261 VanDerWaalsContact C-N 3.35Å; N259-L261 PolarHBondContact O-N 3.48Å; N259-L261 WeakPolarHBondContact OD1-CA 3.47Å; N259-L261 WeakPolarHBondContact OD1-CB 3.31Å; N259-L261 PolarHBondContact OD1-N 3.48Å; N259-N262 WeakPolarHBondContact CB-O 3.49Å; N259-N262 CarbonylContact O-C 3.34Å; N259-N262 PolarHBondContact OD1-N 3.37Å; N259-N262 VanDerWaalsContact OD1-N 3.12Å; N259-L265 HydrophobicContact CB-CB 4.01Å; N259-L265 WeakPolarHBondContact CB-O 3.38Å; N259-L265 PolarHBondContact N-O 2.62Å; N259-P268 WeakPolarHBondContact ND2-CD 3.41Å | ||
| 260 | S | 96 | Very high | 97.7 | Very high | 118 Ų | 118 | 53.5 Ų | 53.5 | 83% | 0.825 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -72.1 | -23.9 | -176.1 | 55.4 | 0 | 0 | 0 | 0 | 114.4 | ||
| 261 | L | 96.6 | Very high | 97.6 | Very high | 163 Ų | 163 | 55.1 Ų | 55.1 | 85% | 0.853 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -95 | -33.2 | -178.8 | -60.1 | 177.3 | 0 | 0 | 0 | 112.5 | N259 | N259-L261 VanDerWaalsContact C-N 3.35Å; N259-L261 PolarHBondContact O-N 3.48Å; N259-L261 WeakPolarHBondContact OD1-CA 3.47Å; N259-L261 WeakPolarHBondContact OD1-CB 3.31Å; N259-L261 PolarHBondContact OD1-N 3.48Å |
| 262 | N | 97.4 | Very high | 97.7 | Very high | 61 Ų | 61 | 52.2 Ų | 52.2 | 33% | 0.326 | 31% | 0.311 | S | S | . | . | trans | -135.6 | 107.4 | 177.3 | -176.5 | -16.8 | 0 | 0 | 0 | 110.3 | N259 N264 L265 | N259-N262 WeakPolarHBondContact CB-O 3.49Å; N259-N262 CarbonylContact O-C 3.34Å; N259-N262 PolarHBondContact OD1-N 3.37Å; N259-N262 VanDerWaalsContact OD1-N 3.12Å; N262-N264 PolarHBondContact O-N 2.94Å; N262-N264 WeakPolarHBondContact OD1-CB 3.29Å; N262-N264 PolarHBondContact OD1-N 2.99Å; N262-L265 HydrophobicContact CB-CB 4.41Å; N262-L265 HydrophobicContact CB-CD1 3.97Å; N262-L265 HydrophobicContact CB-CG 4.09Å; N262-L265 PolarHBondContact O-N 2.83Å | ||
| 263 | P | 96.1 | Very high | 97.7 | Very high | 61 Ų | 61 | 50.8 Ų | 50.8 | 40% | 0.396 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -10.2 | -173.6 | 28.5 | -36.5 | 0 | 0 | 0 | 114.7 | R258 R302 | R258-P263 HydrophobicContact CG-CB 4.34Å; P263-R302 VanDerWaalsContact O-O 3.12Å |
| 264 | N | 97.6 | Very high | 97.7 | Very high | 70 Ų | 70 | 51.5 Ų | 51.5 | 37% | 0.374 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -6.6 | 175.1 | -60.5 | -36.3 | 0 | 0 | 0 | 113.2 | N262 L301 R302 N303 | N262-N264 PolarHBondContact O-N 2.94Å; N262-N264 WeakPolarHBondContact OD1-CB 3.29Å; N262-N264 PolarHBondContact OD1-N 2.99Å; N264-L301 WeakPolarHBondContact O-CA 3.36Å; N264-R302 CarbonylContact C-O 3.27Å; N264-R302 PolarHBondContact O-N 3.41Å; N264-N303 WeakPolarHBondContact OD1-CB 3.45Å; N264-N303 PolarHBondContact OD1-ND2 2.99Å |
| 265 | L | 98.4 | Very high | 97.7 | Very high | 46 Ų | 46 | 51.4 Ų | 51.4 | 24% | 0.241 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -107.3 | 155.5 | -179.6 | -62.3 | -178.9 | 0 | 0 | 0 | 111.5 | N259 N262 P299 L301 | N259-L265 HydrophobicContact CB-CB 4.01Å; N259-L265 WeakPolarHBondContact CB-O 3.38Å; N259-L265 PolarHBondContact N-O 2.62Å; N262-L265 HydrophobicContact CB-CB 4.41Å; N262-L265 HydrophobicContact CB-CD1 3.97Å; N262-L265 HydrophobicContact CB-CG 4.09Å; N262-L265 PolarHBondContact O-N 2.83Å; L265-P299 HydrophobicContact CD2-CB 4.12Å; L265-P299 HydrophobicContact CD2-CG 3.71Å; L265-L301 HydrophobicContact CD2-CD2 3.79Å |
| 266 | I | 98.6 | Very high | 97.7 | Very high | 7 Ų | 7 | 56.9 Ų | 56.9 | 4% | 0.036 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -74.7 | 143 | 170.6 | -51.8 | -57.1 | 0 | 0 | 0 | 110.2 | G257 F272 L300 R302 | G257-I266 CarbonylContact O-C 3.45Å; G257-I266 WeakPolarHBondContact O-CA 3.3Å; I266-F272 HydrophobicContact CG2-CB 4.48Å; I266-L300 HydrophobicContact CD1-CD2 4.42Å; I266-L300 HydrophobicContact CG1-CB 4.5Å; I266-L300 HydrophobicContact CG1-CD2 4.07Å; I266-R302 HydrophobicContact CD1-CB 3.68Å |
| 267 | S | 98.5 | Very high | 97.7 | Very high | 14 Ų | 14 | 57.2 Ų | 57.2 | 10% | 0.098 | 33% | 0.333 | C | S | . | . | trans | -54.4 | 133.8 | 174.9 | 171 | 0 | 0 | 0 | 0 | 111.1 | D252 G257 A269 S270 S273 | D252-S267 WeakPolarHBondContact OD1-CB 3.43Å; D252-S267 PolarHBondContact OD1-OG 2.82Å; D252-S267 PolarHBondContact OD2-OG 2.82Å; G257-S267 WeakPolarHBondContact O-CB 3.11Å; G257-S267 PolarHBondContact O-N 2.99Å; S267-A269 PolarHBondContact O-N 2.85Å; S267-A269 PolarHBondContact OG-N 3.31Å; S267-S270 PolarHBondContact O-N 2.91Å; S267-S273 WeakPolarHBondContact O-CB 3.43Å | ||
| 268 | P | 98 | Very high | 97.7 | Very high | 99 Ų | 99 | 56.9 Ų | 56.9 | 64% | 0.643 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -11.3 | 179.2 | -22.8 | 35 | 0 | 0 | 0 | 115 | N259 S270 S273 | N259-P268 WeakPolarHBondContact ND2-CD 3.41Å; P268-S270 VanDerWaalsContact C-N 3.28Å; P268-S273 WeakPolarHBondContact CA-OG 3.27Å |
| 269 | A | 97.6 | Very high | 97.7 | Very high | 77 Ų | 77 | 50.3 Ų | 50.3 | 64% | 0.636 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -11.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | D252 S267 | D252-A269 HydrophobicContact CB-CB 4.21Å; D252-A269 WeakPolarHBondContact OD2-CB 3.34Å; S267-A269 PolarHBondContact O-N 2.85Å; S267-A269 PolarHBondContact OG-N 3.31Å |
| 270 | S | 98.3 | Very high | 97.6 | Very high | 6 Ų | 6 | 51 Ų | 51 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -96.9 | 141.8 | 174.9 | -177.2 | 0 | 0 | 0 | 0 | 111.6 | G256 S267 P268 F272 S273 | G256-S270 VanDerWaalsContact CA-CB 3.47Å; G256-S270 VanDerWaalsContact CA-OG 3.27Å; G256-S270 WeakPolarHBondContact CA-OG 3.14Å; S267-S270 PolarHBondContact O-N 2.91Å; P268-S270 VanDerWaalsContact C-N 3.28Å; S270-F272 PolarHBondContact O-N 3.13Å; S270-F272 VanDerWaalsContact O-N 3.15Å; S270-F272 WeakPolarHBondContact OG-CD2 3.27Å; S270-F272 PolarHBondContact OG-N 3.26Å; S270-S273 PolarHBondContact O-N 3.25Å; S270-S273 VanDerWaalsContact O-N 3.16Å; S270-S273 PolarHBondContact O-OG 2.92Å |
| 271 | V | 97.6 | Very high | 97.6 | Very high | 59 Ų | 59 | 48.7 Ų | 48.7 | 36% | 0.358 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -57.1 | -31.4 | 175 | -59.8 | 0 | 0 | 0 | 0 | 112.4 | I136 N140 S273 S274 | I136-V271 HydrophobicContact CG2-CG2 3.7Å; N140-V271 HydrophobicContact CB-CG2 4.28Å; V271-S273 PolarHBondContact O-N 3.33Å; V271-S274 PolarHBondContact O-N 2.94Å; V271-S274 PolarHBondContact O-OG 3.44Å |
| 272 | F | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -69.5 | -16.5 | -176.9 | -56.2 | -58.5 | 0 | 0 | 0 | 113.5 | I136 L139 L254 M255 I266 S270 S274 W275 P387 | I136-F272 HydrophobicContact CB-CZ 4.47Å; I136-F272 HydrophobicContact CG1-CE2 4.46Å; I136-F272 HydrophobicContact CG1-CZ 4.46Å; I136-F272 HydrophobicContact CG2-CE2 4Å; I136-F272 HydrophobicContact CG2-CZ 3.85Å; L139-F272 HydrophobicContact CB-CE1 4.35Å; L139-F272 HydrophobicContact CD1-CE1 4.42Å; L139-F272 HydrophobicContact CD1-CZ 4.29Å; L254-F272 WeakPolarHBondContact O-CE2 3.39Å; M255-F272 HydrophobicContact SD-CE2 4.19Å; M255-F272 HydrophobicContact SD-CZ 4.43Å; I266-F272 HydrophobicContact CG2-CB 4.48Å; S270-F272 PolarHBondContact O-N 3.13Å; S270-F272 VanDerWaalsContact O-N 3.15Å; S270-F272 WeakPolarHBondContact OG-CD2 3.27Å; S270-F272 PolarHBondContact OG-N 3.26Å; F272-S274 PolarHBondContact O-N 3.18Å; F272-W275 AromaticContact CD1-CD2 3.84Å; F272-W275 HydrophobicContact CD1-CD2 3.84Å; F272-W275 AromaticContact CD1-CE2 3.54Å; F272-W275 HydrophobicContact CD1-CE3 4.11Å; F272-W275 HydrophobicContact CD1-CG 4.5Å; F272-W275 AromaticContact CD1-CH2 3.89Å; F272-W275 HydrophobicContact CD1-CH2 3.89Å; F272-W275 AromaticContact CD1-CZ2 3.59Å; F272-W275 HydrophobicContact CD1-CZ2 3.59Å; F272-W275 HydrophobicContact CD1-CZ3 4.12Å; F272-W275 AromaticContact CE1-CE2 3.97Å; F272-W275 AromaticContact CE1-CH2 3.7Å; F272-W275 HydrophobicContact CE1-CH2 3.7Å; F272-W275 AromaticContact CE1-CZ2 3.51Å; F272-W275 HydrophobicContact CE1-CZ2 3.51Å; F272-W275 HydrophobicContact CE1-CZ3 4.3Å; F272-W275 WeakPolarHBondContact O-CB 3.16Å; F272-W275 PolarHBondContact O-N 3.38Å; F272-P387 HydrophobicContact CD1-CB 4.42Å; F272-P387 HydrophobicContact CD1-CG 3.74Å; F272-P387 HydrophobicContact CD2-CG 4.13Å; F272-P387 HydrophobicContact CE1-CB 3.95Å; F272-P387 HydrophobicContact CE1-CG 3.73Å; F272-P387 HydrophobicContact CE2-CG 4.12Å; F272-P387 HydrophobicContact CG-CG 3.96Å; F272-P387 HydrophobicContact CZ-CB 4.09Å; F272-P387 HydrophobicContact CZ-CG 3.92Å |
| 273 | S | 98.2 | Very high | 97.5 | Very high | 40 Ų | 40 | 43.8 Ų | 43.8 | 28% | 0.28 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -68.4 | -21.2 | 175.7 | 71 | 0 | 0 | 0 | 0 | 113.3 | S267 P268 S270 V271 | S267-S273 WeakPolarHBondContact O-CB 3.43Å; P268-S273 WeakPolarHBondContact CA-OG 3.27Å; S270-S273 PolarHBondContact O-N 3.25Å; S270-S273 VanDerWaalsContact O-N 3.16Å; S270-S273 PolarHBondContact O-OG 2.92Å; V271-S273 PolarHBondContact O-N 3.33Å |
| 274 | S | 97.3 | Very high | 97.5 | Very high | 82 Ų | 82 | 44.8 Ų | 44.8 | 57% | 0.573 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -86.8 | -13 | 178 | 68.8 | 0 | 0 | 0 | 0 | 113.2 | V271 F272 | V271-S274 PolarHBondContact O-N 2.94Å; V271-S274 PolarHBondContact O-OG 3.44Å; F272-S274 PolarHBondContact O-N 3.18Å |
| 275 | W | 98.3 | Very high | 97.4 | Very high | 9 Ų | 9 | 42 Ų | 42 | 3% | 0.034 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -67.3 | 142.3 | -175.9 | -75.3 | 22.7 | 0 | 0 | 0 | 111.6 | L139 N140 K143 Y175 F272 L300 | L139-W275 HydrophobicContact CB-CH2 4.14Å; L139-W275 HydrophobicContact CB-CZ2 4.34Å; N140-W275 PolarHBondContact OD1-NE1 3.44Å; N140-W275 VanDerWaalsContact OD1-NE1 3.08Å; K143-W275 HydrophobicContact CB-CD2 4.42Å; K143-W275 HydrophobicContact CB-CH2 4.05Å; K143-W275 HydrophobicContact CB-CZ2 3.57Å; K143-W275 HydrophobicContact CD-CD2 4.21Å; K143-W275 HydrophobicContact CD-CE3 4.2Å; K143-W275 HydrophobicContact CD-CZ3 4.41Å; K143-W275 HydrophobicContact CG-CD2 3.8Å; K143-W275 HydrophobicContact CG-CE3 4.25Å; K143-W275 HydrophobicContact CG-CG 4.19Å; K143-W275 HydrophobicContact CG-CH2 4.34Å; K143-W275 HydrophobicContact CG-CZ2 3.91Å; Y175-W275 HydrophobicContact CD1-CH2 4.31Å; Y175-W275 AromaticContact CD1-CZ3 3.92Å; Y175-W275 HydrophobicContact CD1-CZ3 3.92Å; Y175-W275 AromaticContact CD2-CH2 3.58Å; Y175-W275 HydrophobicContact CD2-CH2 3.58Å; Y175-W275 AromaticContact CD2-CZ3 3.95Å; Y175-W275 HydrophobicContact CD2-CZ3 3.95Å; Y175-W275 HydrophobicContact CE1-CE3 4.49Å; Y175-W275 HydrophobicContact CE1-CH2 4.26Å; Y175-W275 AromaticContact CE1-CZ3 3.61Å; Y175-W275 HydrophobicContact CE1-CZ3 3.61Å; Y175-W275 AromaticContact CE2-CH2 3.51Å; Y175-W275 HydrophobicContact CE2-CH2 3.51Å; Y175-W275 AromaticContact CE2-CZ3 3.63Å; Y175-W275 HydrophobicContact CE2-CZ3 3.63Å; Y175-W275 HydrophobicContact CG-CH2 4.01Å; Y175-W275 HydrophobicContact CG-CZ3 4.11Å; Y175-W275 AromaticContact CZ-CH2 3.89Å; Y175-W275 AromaticContact CZ-CZ3 3.47Å; Y175-W275 VanDerWaalsContact CZ-CZ3 3.47Å; F272-W275 AromaticContact CD1-CD2 3.84Å; F272-W275 HydrophobicContact CD1-CD2 3.84Å; F272-W275 AromaticContact CD1-CE2 3.54Å; F272-W275 HydrophobicContact CD1-CE3 4.11Å; F272-W275 HydrophobicContact CD1-CG 4.5Å; F272-W275 AromaticContact CD1-CH2 3.89Å; F272-W275 HydrophobicContact CD1-CH2 3.89Å; F272-W275 AromaticContact CD1-CZ2 3.59Å; F272-W275 HydrophobicContact CD1-CZ2 3.59Å; F272-W275 HydrophobicContact CD1-CZ3 4.12Å; F272-W275 AromaticContact CE1-CE2 3.97Å; F272-W275 AromaticContact CE1-CH2 3.7Å; F272-W275 HydrophobicContact CE1-CH2 3.7Å; F272-W275 AromaticContact CE1-CZ2 3.51Å; F272-W275 HydrophobicContact CE1-CZ2 3.51Å; F272-W275 HydrophobicContact CE1-CZ3 4.3Å; F272-W275 WeakPolarHBondContact O-CB 3.16Å; F272-W275 PolarHBondContact O-N 3.38Å; W275-L300 PolarHBondContact O-N 3.17Å |
| 276 | K | 98.1 | Very high | 97.3 | Very high | 115 Ų | 115 | 39.9 Ų | 39.9 | 50% | 0.5 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 136.9 | 170.2 | -60.7 | -60.5 | -178.6 | -179.1 | 0 | 110.2 | K143 G298 | K143-K276 WeakPolarHBondContact CE-O 3.48Å; K143-K276 PolarHBondContact NZ-O 3.25Å; K276-G298 CarbonylContact C-O 3.52Å; K276-G298 WeakPolarHBondContact CA-O 3.17Å; K276-G298 WeakPolarHBondContact CD-O 3.25Å |
| 277 | V | 98.2 | Very high | 97.2 | Very high | 7 Ų | 7 | 43.6 Ų | 43.6 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 152.8 | 175.2 | -55.2 | 0 | 0 | 0 | 0 | 110.5 | G296 E297 G298 L300 N385 | V277-G296 CarbonylContact O-C 3.54Å; V277-G296 WeakPolarHBondContact O-CA 3.43Å; V277-E297 HydrophobicContact CG2-CB 4.2Å; V277-E297 PolarHBondContact O-N 3.17Å; V277-G298 PolarHBondContact N-O 3.15Å; V277-L300 HydrophobicContact CG1-CB 4.37Å; V277-L300 HydrophobicContact CG1-CD1 4.01Å; V277-N385 WeakPolarHBondContact CA-OD1 3.48Å; V277-N385 HydrophobicContact CB-CB 4.12Å; V277-N385 HydrophobicContact CG1-CB 3.86Å |
| 278 | I | 98.1 | Very high | 97.1 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | trans | -126.9 | 166.1 | 168.1 | 65.1 | 163.7 | 0 | 0 | 0 | 109.2 | I172 D176 V179 S280 N385 | I172-I278 HydrophobicContact CD1-CD1 4.09Å; D176-I278 HydrophobicContact CB-CD1 3.66Å; D176-I278 HydrophobicContact CB-CG1 4.42Å; V179-I278 HydrophobicContact CB-CD1 4.29Å; V179-I278 HydrophobicContact CB-CG1 4.17Å; V179-I278 HydrophobicContact CG1-CD1 4.23Å; V179-I278 HydrophobicContact CG1-CG1 3.67Å; I278-S280 PolarHBondContact O-N 2.89Å; I278-N385 PolarHBondContact N-OD1 3.21Å; I278-N385 PolarHBondContact O-ND2 2.98Å | ||
| 279 | C | 97.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.256 | C | S | . | . | S | Bend | trans | 57.8 | 33.4 | 171.4 | -48.4 | 0 | 0 | 0 | 0 | 113.9 | Y183 Y285 C292 E297 | Y183-C279 HydrophobicContact CD1-CB 4.32Å; Y183-C279 HydrophobicContact CD2-CB 3.76Å; Y183-C279 HydrophobicContact CG-CB 3.6Å; C279-Y285 VanDerWaalsContact C-OH 3.23Å; C279-Y285 WeakPolarHBondContact CA-OH 3.37Å; C279-Y285 PolarHBondContact N-OH 2.89Å; C279-C292 WeakPolarHBondContact CA-SG 3.27Å; C279-C292 HydrophobicContact CB-CB 3.74Å; C279-C292 WeakPolarHBondContact CB-SG 3.4Å; C279-C292 PolarHBondContact N-SG 3.46Å; C279-C292 WeakPolarHBondContact SG-CB 3.3Å; C279-C292 CovalentContact SG-SG 2.03Å; C279-C292 PolarHBondContact SG-SG 3.08Å; C279-E297 PolarHBondContact N-OE2 3.33Å |
| 280 | S | 95.6 | Very high | 96.8 | Very high | 35 Ų | 35 | 46.2 Ų | 46.2 | 25% | 0.245 | 24% | 0.237 | C | C | . | . | trans | -107 | 0.6 | -173.4 | 70.4 | 0 | 0 | 0 | 0 | 114 | I278 P282 Y285 E297 N379 | I278-S280 PolarHBondContact O-N 2.89Å; S280-P282 VanDerWaalsContact O-CD 3.29Å; S280-P282 WeakPolarHBondContact O-CD 3.29Å; S280-Y285 PolarHBondContact N-OH 3.27Å; S280-E297 WeakPolarHBondContact CA-OE2 3.28Å; S280-E297 WeakPolarHBondContact CB-OE2 3.27Å; S280-E297 PolarHBondContact N-OE2 2.03Å; S280-E297 PolarHBondContact OG-OE2 2.88Å; S280-N379 PolarHBondContact O-ND2 3.42Å | ||
| 281 | Q | 95.6 | Very high | 96.7 | Very high | 69 Ų | 69 | 46.1 Ų | 46.1 | 32% | 0.322 | 24% | 0.236 | S | C | . | . | trans | -121.8 | 60.9 | -172.8 | -60 | -179.7 | -3.4 | 0 | 0 | 113.3 | E283 E284 Y285 | Q281-E283 VanDerWaalsContact C-N 3.29Å; Q281-E283 PolarHBondContact O-N 3.44Å; Q281-E283 VanDerWaalsContact O-N 3.17Å; Q281-E284 HydrophobicContact CB-CB 4.1Å; Q281-E284 PolarHBondContact O-N 3.07Å; Q281-E284 PolarHBondContact OE1-OE2 2.65Å; Q281-Y285 HydrophobicContact CB-CE1 4.26Å; Q281-Y285 HydrophobicContact CB-CE2 4.44Å; Q281-Y285 PolarHBondContact N-OH 2.96Å; Q281-Y285 VanDerWaalsContact N-OH 3.09Å; Q281-Y285 VanDerWaalsContact O-CD2 3.31Å; Q281-Y285 WeakPolarHBondContact O-CD2 3.36Å; Q281-Y285 WeakPolarHBondContact O-CE2 3.32Å; Q281-Y285 PolarHBondContact O-N 3.34Å | ||
| 282 | P | 94.9 | Very high | 96.6 | Very high | 25 Ų | 25 | 43.3 Ų | 43.3 | 16% | 0.162 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -46.2 | -49.1 | -178.1 | 1.2 | -15.3 | 0 | 0 | 0 | 114.2 | S280 E284 Y285 N286 | S280-P282 VanDerWaalsContact O-CD 3.29Å; S280-P282 WeakPolarHBondContact O-CD 3.29Å; P282-E284 VanDerWaalsContact C-N 3.26Å; P282-E284 PolarHBondContact O-N 2.88Å; P282-Y285 PolarHBondContact O-N 3.06Å; P282-Y285 VanDerWaalsContact O-N 3.16Å; P282-N286 WeakPolarHBondContact O-CB 3.32Å; P282-N286 PolarHBondContact O-N 2.82Å; P282-N286 PolarHBondContact O-ND2 3.45Å; P282-N286 PolarHBondContact O-OD1 3.25Å |
| 283 | E | 96.1 | Very high | 96.4 | Very high | 96 Ų | 96 | 46.4 Ų | 46.4 | 45% | 0.449 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.6 | -30.5 | -175.4 | -62.2 | -61.7 | 163.9 | 0 | 0 | 111.9 | R199 Q281 N287 | R199-E283 IonicContact NH2-OE1 3.63Å; R199-E283 IonicContact NH2-OE2 3.31Å; R199-E283 PolarHBondContact NH2-OE2 3.3Å; Q281-E283 VanDerWaalsContact C-N 3.29Å; Q281-E283 PolarHBondContact O-N 3.44Å; Q281-E283 VanDerWaalsContact O-N 3.17Å; E283-N287 VanDerWaalsContact O-CB 3.25Å; E283-N287 WeakPolarHBondContact O-CB 3.33Å; E283-N287 PolarHBondContact O-N 2.76Å; E283-N287 PolarHBondContact O-ND2 2.83Å |
| 284 | E | 95.9 | Very high | 96.1 | Very high | 82 Ų | 82 | 47 Ų | 47 | 38% | 0.383 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -69.3 | -45 | 173.8 | -179.1 | 170.3 | 160.7 | 0 | 0 | 111.1 | Q281 P282 N286 N287 R288 | Q281-E284 HydrophobicContact CB-CB 4.1Å; Q281-E284 PolarHBondContact O-N 3.07Å; Q281-E284 PolarHBondContact OE1-OE2 2.65Å; P282-E284 VanDerWaalsContact C-N 3.26Å; P282-E284 PolarHBondContact O-N 2.88Å; E284-N286 VanDerWaalsContact C-N 3.34Å; E284-N286 PolarHBondContact O-N 3.25Å; E284-N287 PolarHBondContact O-N 3.12Å; E284-R288 HydrophobicContact CG-CG 4.49Å; E284-R288 WeakPolarHBondContact O-CB 3.1Å; E284-R288 WeakPolarHBondContact O-CG 3.28Å; E284-R288 PolarHBondContact O-N 3.47Å; E284-R288 IonicContact OE1-CZ 2.75Å; E284-R288 IonicContact OE1-NH1 3.65Å; E284-R288 PolarHBondContact OE1-NH1 3.43Å |
| 285 | Y | 96.1 | Very high | 96 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 4% | 0.043 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.4 | -44.7 | 177.7 | -49.2 | -36 | 0 | 0 | 0 | 111.3 | Y183 C279 S280 Q281 P282 R288 E289 V290 C292 E297 | Y183-Y285 HydrophobicContact CD2-CE2 4.37Å; Y183-Y285 AromaticContact CE2-CD2 3.61Å; Y183-Y285 HydrophobicContact CE2-CD2 3.61Å; Y183-Y285 AromaticContact CE2-CE2 3.78Å; Y183-Y285 HydrophobicContact CE2-CE2 3.78Å; C279-Y285 VanDerWaalsContact C-OH 3.23Å; C279-Y285 WeakPolarHBondContact CA-OH 3.37Å; C279-Y285 PolarHBondContact N-OH 2.89Å; S280-Y285 PolarHBondContact N-OH 3.27Å; Q281-Y285 HydrophobicContact CB-CE1 4.26Å; Q281-Y285 HydrophobicContact CB-CE2 4.44Å; Q281-Y285 PolarHBondContact N-OH 2.96Å; Q281-Y285 VanDerWaalsContact N-OH 3.09Å; Q281-Y285 VanDerWaalsContact O-CD2 3.31Å; Q281-Y285 WeakPolarHBondContact O-CD2 3.36Å; Q281-Y285 WeakPolarHBondContact O-CE2 3.32Å; Q281-Y285 PolarHBondContact O-N 3.34Å; P282-Y285 PolarHBondContact O-N 3.06Å; P282-Y285 VanDerWaalsContact O-N 3.16Å; Y285-R288 CarbonylContact O-C 3.55Å; Y285-R288 PolarHBondContact O-N 2.91Å; Y285-E289 WeakPolarHBondContact O-CA 3.12Å; Y285-E289 PolarHBondContact O-N 2.88Å; Y285-V290 WeakPolarHBondContact CB-O 3.4Å; Y285-V290 PolarHBondContact O-N 2.75Å; Y285-V290 VanDerWaalsContact O-N 3.14Å; Y285-C292 HydrophobicContact CE2-CB 4.29Å; Y285-E297 PolarHBondContact OH-OE1 2.78Å; Y285-E297 PolarHBondContact OH-OE2 3.3Å |
| 286 | N | 97.1 | Very high | 95.8 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.011 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 177.3 | -69.6 | -13.4 | 0 | 0 | 0 | 112 | D188 G195 V197 P282 E284 R288 E289 | D188-N286 PolarHBondContact OD2-ND2 3.43Å; G195-N286 WeakPolarHBondContact CA-O 3.14Å; G195-N286 PolarHBondContact N-O 3.25Å; V197-N286 HydrophobicContact CG1-CB 3.81Å; V197-N286 HydrophobicContact CG2-CB 4.48Å; P282-N286 WeakPolarHBondContact O-CB 3.32Å; P282-N286 PolarHBondContact O-N 2.82Å; P282-N286 PolarHBondContact O-ND2 3.45Å; P282-N286 PolarHBondContact O-OD1 3.25Å; E284-N286 VanDerWaalsContact C-N 3.34Å; E284-N286 PolarHBondContact O-N 3.25Å; N286-R288 VanDerWaalsContact C-N 3.26Å; N286-R288 PolarHBondContact O-N 3.2Å; N286-E289 PolarHBondContact O-N 3.29Å |
| 287 | N | 97.1 | Very high | 95.8 | Very high | 85 Ų | 85 | 45.7 Ų | 45.7 | 46% | 0.455 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.3 | -28.2 | 178.7 | -76.5 | -38 | 0 | 0 | 0 | 113 | P194 E283 E284 | P194-N287 WeakPolarHBondContact CA-O 3.39Å; P194-N287 VanDerWaalsContact CB-O 3.25Å; P194-N287 WeakPolarHBondContact CB-O 3.46Å; E283-N287 VanDerWaalsContact O-CB 3.25Å; E283-N287 WeakPolarHBondContact O-CB 3.33Å; E283-N287 PolarHBondContact O-N 2.76Å; E283-N287 PolarHBondContact O-ND2 2.83Å; E284-N287 PolarHBondContact O-N 3.12Å |
| 288 | R | 95.5 | Very high | 95.7 | Very high | 151 Ų | 151 | 46.3 Ų | 46.3 | 57% | 0.57 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -99.6 | -9.3 | -178.6 | -66.8 | 172.9 | 61.9 | -171.2 | -6.2 | 113.4 | E284 Y285 N286 V290 | E284-R288 HydrophobicContact CG-CG 4.49Å; E284-R288 WeakPolarHBondContact O-CB 3.1Å; E284-R288 WeakPolarHBondContact O-CG 3.28Å; E284-R288 PolarHBondContact O-N 3.47Å; E284-R288 IonicContact OE1-CZ 2.75Å; E284-R288 IonicContact OE1-NH1 3.65Å; E284-R288 PolarHBondContact OE1-NH1 3.43Å; Y285-R288 CarbonylContact O-C 3.55Å; Y285-R288 PolarHBondContact O-N 2.91Å; N286-R288 VanDerWaalsContact C-N 3.26Å; N286-R288 PolarHBondContact O-N 3.2Å; R288-V290 HydrophobicContact CB-CG1 4.15Å; R288-V290 HydrophobicContact CB-CG2 3.83Å; R288-V290 PolarHBondContact O-N 3.13Å |
| 289 | E | 94.5 | Very high | 95.7 | Very high | 56 Ų | 56 | 48.5 Ų | 48.5 | 26% | 0.262 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 39.7 | -172.7 | -60.4 | 174.8 | -110.6 | 0 | 0 | 112.9 | F190 G192 G193 Y285 N286 | F190-E289 HydrophobicContact CD2-CB 4.28Å; F190-E289 VanDerWaalsContact CE2-C 3.48Å; G192-E289 VanDerWaalsContact CA-OE2 3.31Å; G192-E289 WeakPolarHBondContact CA-OE2 3.48Å; G193-E289 WeakPolarHBondContact CA-OE1 3.45Å; G193-E289 PolarHBondContact N-OE1 3.44Å; G193-E289 PolarHBondContact N-OE2 3.2Å; G193-E289 VanDerWaalsContact N-OE2 3.07Å; Y285-E289 WeakPolarHBondContact O-CA 3.12Å; Y285-E289 PolarHBondContact O-N 2.88Å; N286-E289 PolarHBondContact O-N 3.29Å |
| 290 | V | 95 | Very high | 95.8 | Very high | 38 Ų | 38 | 48.7 Ų | 48.7 | 23% | 0.23 | 27% | 0.265 | C | S | . | . | trans | -116.7 | 156.2 | -179.6 | -61.3 | 0 | 0 | 0 | 0 | 111.1 | F190 Y285 R288 | F190-V290 WeakPolarHBondContact CZ-O 3.36Å; Y285-V290 WeakPolarHBondContact CB-O 3.4Å; Y285-V290 PolarHBondContact O-N 2.75Å; Y285-V290 VanDerWaalsContact O-N 3.14Å; R288-V290 HydrophobicContact CB-CG1 4.15Å; R288-V290 HydrophobicContact CB-CG2 3.83Å; R288-V290 PolarHBondContact O-N 3.13Å | ||
| 291 | L | 96.3 | Very high | 95.9 | Very high | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | trans | -83.4 | 153.2 | 169.5 | -57.2 | -172.1 | 0 | 0 | 0 | 111.4 | A155 W180 Y184 F190 N293 | A155-L291 VanDerWaalsContact C-CD1 3.45Å; A155-L291 WeakPolarHBondContact O-CD1 3.28Å; W180-L291 HydrophobicContact CZ2-CD1 4.49Å; Y184-L291 HydrophobicContact CD2-CD1 4.41Å; Y184-L291 HydrophobicContact CE2-CD1 3.94Å; F190-L291 HydrophobicContact CE2-CD2 4.1Å; F190-L291 HydrophobicContact CZ-CD2 4.37Å; L291-N293 PolarHBondContact O-N 3.37Å | ||
| 292 | C | 95.2 | Very high | 96 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -50.8 | 138.8 | 165.3 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | W180 Y183 C279 Y285 | W180-C292 PolarHBondContact NE1-O 3.27Å; W180-C292 VanDerWaalsContact NE1-O 3.16Å; Y183-C292 HydrophobicContact CD1-CB 3.66Å; Y183-C292 HydrophobicContact CD2-CB 4.22Å; Y183-C292 HydrophobicContact CE1-CB 3.37Å; Y183-C292 HydrophobicContact CE2-CB 3.97Å; Y183-C292 HydrophobicContact CG-CB 4.1Å; Y183-C292 PolarHBondContact OH-N 3.15Å; Y183-C292 VanDerWaalsContact OH-N 3.17Å; C279-C292 WeakPolarHBondContact CA-SG 3.27Å; C279-C292 HydrophobicContact CB-CB 3.74Å; C279-C292 WeakPolarHBondContact CB-SG 3.4Å; C279-C292 PolarHBondContact N-SG 3.46Å; C279-C292 WeakPolarHBondContact SG-CB 3.3Å; C279-C292 CovalentContact SG-SG 2.03Å; C279-C292 PolarHBondContact SG-SG 3.08Å; Y285-C292 HydrophobicContact CE2-CB 4.29Å | ||
| 293 | N | 93.4 | Very high | 96.1 | Very high | 64 Ų | 64 | 46.9 Ų | 46.9 | 34% | 0.342 | 25% | 0.253 | S | S | . | . | trans | -117.8 | -168.8 | 174.1 | 69.3 | 33.7 | 0 | 0 | 0 | 110.9 | T154 L291 T295 | T154-N293 HydrophobicContact CG2-CB 4.05Å; L291-N293 PolarHBondContact O-N 3.37Å; N293-T295 VanDerWaalsContact C-N 3.33Å; N293-T295 PolarHBondContact O-N 3.06Å; N293-T295 WeakPolarHBondContact OD1-CB 3.49Å; N293-T295 PolarHBondContact OD1-N 2.75Å; N293-T295 PolarHBondContact OD1-OG1 3.1Å | ||
| 294 | T | 92.8 | Very high | 96.2 | Very high | 54 Ų | 54 | 43.4 Ų | 43.4 | 33% | 0.331 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -89.8 | 9.5 | -175.6 | 58.3 | 0 | 0 | 0 | 0 | 114.7 | I152 S170 D171 I172 | I152-T294 HydrophobicContact CD1-CG2 3.61Å; I152-T294 HydrophobicContact CG1-CG2 4.04Å; S170-T294 PolarHBondContact OG-OG1 3.45Å; D171-T294 WeakPolarHBondContact O-CG2 3.34Å; I172-T294 HydrophobicContact CB-CG2 4.01Å; I172-T294 HydrophobicContact CD1-CG2 3.93Å; I172-T294 HydrophobicContact CG1-CG2 3.8Å |
| 295 | T | 94.3 | Very high | 96.2 | Very high | 88 Ų | 88 | 40.8 Ų | 40.8 | 54% | 0.54 | 23% | 0.234 | S | C | . | . | trans | -74.5 | 127.6 | 178.8 | -50.3 | 0 | 0 | 0 | 0 | 109.9 | N293 E297 | N293-T295 VanDerWaalsContact C-N 3.33Å; N293-T295 PolarHBondContact O-N 3.06Å; N293-T295 WeakPolarHBondContact OD1-CB 3.49Å; N293-T295 PolarHBondContact OD1-N 2.75Å; N293-T295 PolarHBondContact OD1-OG1 3.1Å; T295-E297 PolarHBondContact O-N 3.04Å | ||
| 296 | G | 95.9 | Very high | 96.2 | Very high | 44 Ų | 44 | 45 Ų | 45 | 45% | 0.454 | 26% | 0.257 | S | S | . | . | trans | -68.7 | 129.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | V277 | V277-G296 CarbonylContact O-C 3.54Å; V277-G296 WeakPolarHBondContact O-CA 3.43Å | ||
| 297 | E | 97 | Very high | 96.1 | Very high | 45 Ų | 45 | 46 Ų | 46 | 21% | 0.21 | 26% | 0.262 | C | S | . | . | trans | -102.1 | -4.3 | -171.4 | -72.4 | 169.4 | -178.4 | 0 | 0 | 114.2 | V277 C279 S280 Y285 T295 | V277-E297 HydrophobicContact CG2-CB 4.2Å; V277-E297 PolarHBondContact O-N 3.17Å; C279-E297 PolarHBondContact N-OE2 3.33Å; S280-E297 WeakPolarHBondContact CA-OE2 3.28Å; S280-E297 WeakPolarHBondContact CB-OE2 3.27Å; S280-E297 PolarHBondContact N-OE2 2.03Å; S280-E297 PolarHBondContact OG-OE2 2.88Å; Y285-E297 PolarHBondContact OH-OE1 2.78Å; Y285-E297 PolarHBondContact OH-OE2 3.3Å; T295-E297 PolarHBondContact O-N 3.04Å | ||
| 298 | G | 97 | Very high | 96.1 | Very high | 20 Ų | 20 | 46.2 Ų | 46.2 | 21% | 0.206 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 152.6 | 177.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K276 V277 | K276-G298 CarbonylContact C-O 3.52Å; K276-G298 WeakPolarHBondContact CA-O 3.17Å; K276-G298 WeakPolarHBondContact CD-O 3.25Å; V277-G298 PolarHBondContact N-O 3.15Å |
| 299 | P | 97.9 | Very high | 96 | Very high | 49 Ų | 49 | 47.7 Ų | 47.7 | 32% | 0.318 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 162.2 | 172.2 | 33.3 | -34.7 | 0 | 0 | 0 | 111.3 | L265 L301 | L265-P299 HydrophobicContact CD2-CB 4.12Å; L265-P299 HydrophobicContact CD2-CG 3.71Å; P299-L301 HydrophobicContact CG-CD2 4.14Å; P299-L301 PolarHBondContact O-N 3.29Å |
| 300 | L | 97.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.016 | 29% | 0.29 | C | S | . | . | trans | -61.2 | 131.1 | 165.3 | -171 | 71.4 | 0 | 0 | 0 | 110.3 | I266 W275 V277 N385 D386 | I266-L300 HydrophobicContact CD1-CD2 4.42Å; I266-L300 HydrophobicContact CG1-CB 4.5Å; I266-L300 HydrophobicContact CG1-CD2 4.07Å; W275-L300 PolarHBondContact O-N 3.17Å; V277-L300 HydrophobicContact CG1-CB 4.37Å; V277-L300 HydrophobicContact CG1-CD1 4.01Å; L300-N385 HydrophobicContact CD1-CB 4.23Å; L300-D386 HydrophobicContact CD1-CB 3.85Å; L300-D386 HydrophobicContact CD2-CB 4.49Å | ||
| 301 | L | 98 | Very high | 96.1 | Very high | 78 Ų | 78 | 55 Ų | 55 | 41% | 0.408 | 30% | 0.299 | S | S | . | . | B | Isolated β-bridge | trans | -107.7 | 133.5 | 178.9 | -58.1 | -177.2 | 0 | 0 | 0 | 110.1 | N264 L265 P299 G375 S376 | N264-L301 WeakPolarHBondContact O-CA 3.36Å; L265-L301 HydrophobicContact CD2-CD2 3.79Å; P299-L301 HydrophobicContact CG-CD2 4.14Å; P299-L301 PolarHBondContact O-N 3.29Å; L301-G375 CarbonylContact O-C 3.35Å; L301-G375 WeakPolarHBondContact O-CA 3.36Å; L301-S376 PolarHBondContact N-OG 2.05Å; L301-S376 VanDerWaalsContact N-OG 3.08Å; L301-S376 PolarHBondContact O-N 3.47Å; L301-S376 PolarHBondContact O-OG 3.01Å |
| 302 | R | 98.1 | Very high | 96.1 | Very high | 6 Ų | 6 | 54.7 Ų | 54.7 | 2% | 0.023 | 30% | 0.298 | C | S | . | . | trans | -155.6 | 128.5 | 176.4 | -156.3 | -170 | -69.4 | 151.8 | -1 | 111.3 | M255 G256 P263 N264 I266 P304 M373 D386 | M255-R302 PolarHBondContact O-NH1 2.9Å; M255-R302 PolarHBondContact O-NH2 3.5Å; G256-R302 PolarHBondContact O-NH1 3.4Å; P263-R302 VanDerWaalsContact O-O 3.12Å; N264-R302 CarbonylContact C-O 3.27Å; N264-R302 PolarHBondContact O-N 3.41Å; I266-R302 HydrophobicContact CD1-CB 3.68Å; R302-P304 HydrophobicContact CG-CG 3.79Å; R302-M373 HydrophobicContact CG-SD 4.45Å; R302-D386 IonicContact CZ-OD1 2.74Å; R302-D386 IonicContact CZ-OD2 3.69Å; R302-D386 IonicContact NE-OD1 2.66Å; R302-D386 IonicContact NE-OD2 2.68Å; R302-D386 PolarHBondContact NE-OD2 3.37Å; R302-D386 IonicContact NH2-OD1 2.75Å; R302-D386 PolarHBondContact NH2-OD1 3.26Å; R302-D386 IonicContact NH2-OD2 3.42Å; R302-D386 PolarHBondContact NH2-OD2 3.04Å; R302-D386 VanDerWaalsContact NH2-OD2 3.11Å | ||
| 303 | N | 98 | Very high | 95.8 | Very high | 8 Ų | 8 | 58.8 Ų | 58.8 | 4% | 0.043 | 32% | 0.324 | C | S | . | . | trans | -142.9 | 69 | 173.8 | -168.1 | -1.9 | 0 | 0 | 0 | 112.1 | R258 N264 G305 N306 M373 N374 | R258-N303 PolarHBondContact NH2-OD1 2.89Å; N264-N303 WeakPolarHBondContact OD1-CB 3.45Å; N264-N303 PolarHBondContact OD1-ND2 2.99Å; N303-G305 PolarHBondContact O-N 3.01Å; N303-N306 HydrophobicContact CB-CB 4.45Å; N303-N306 PolarHBondContact ND2-ND2 3.43Å; N303-N306 VanDerWaalsContact ND2-ND2 3.16Å; N303-N306 WeakPolarHBondContact O-CB 3.37Å; N303-N306 PolarHBondContact O-N 3.06Å; N303-M373 CarbonylContact C-O 3.55Å; N303-M373 PolarHBondContact N-O 3.21Å; N303-N374 PolarHBondContact N-O 2.03Å; N303-N374 VanDerWaalsContact N-O 3.11Å; N303-N374 WeakPolarHBondContact O-CB 3.18Å | ||
| 304 | P | 97.3 | Very high | 95.7 | Very high | 22 Ų | 22 | 60.5 Ų | 60.5 | 14% | 0.143 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 135.3 | -169.1 | -21.1 | 34 | 0 | 0 | 0 | 112.4 | C247 R258 R302 N306 F372 M373 | C247-P304 HydrophobicContact CB-CB 3.8Å; C247-P304 HydrophobicContact CB-CG 3.94Å; R258-P304 PolarHBondContact NH2-O 3.42Å; R258-P304 VanDerWaalsContact NH2-O 3.12Å; R302-P304 HydrophobicContact CG-CG 3.79Å; P304-N306 VanDerWaalsContact C-N 3.31Å; P304-F372 CarbonylContact C-O 3.32Å; P304-F372 VanDerWaalsContact CA-O 3.28Å; P304-F372 WeakPolarHBondContact CA-O 3.43Å; P304-F372 HydrophobicContact CB-CD1 4.18Å; P304-F372 HydrophobicContact CB-CE1 3.6Å; P304-F372 HydrophobicContact CB-CZ 4.04Å; P304-M373 HydrophobicContact CB-SD 4.08Å; P304-M373 HydrophobicContact CG-SD 3.81Å |
| 305 | G | 95.3 | Very high | 95.8 | Very high | 27 Ų | 27 | 58.8 Ų | 58.8 | 28% | 0.278 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | -2.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | N303 F372 | N303-G305 PolarHBondContact O-N 3.01Å; G305-F372 VanDerWaalsContact CA-CE2 3.44Å; G305-F372 PolarHBondContact N-O 3.34Å |
| 306 | N | 96.6 | Very high | 96 | Very high | 101 Ų | 101 | 54.7 Ų | 54.7 | 54% | 0.54 | 29% | 0.29 | S | S | . | . | trans | -100.5 | 28.1 | 172.5 | -167.6 | 44.8 | 0 | 0 | 0 | 112.4 | N303 P304 N374 | N303-N306 HydrophobicContact CB-CB 4.45Å; N303-N306 PolarHBondContact ND2-ND2 3.43Å; N303-N306 VanDerWaalsContact ND2-ND2 3.16Å; N303-N306 WeakPolarHBondContact O-CB 3.37Å; N303-N306 PolarHBondContact O-N 3.06Å; P304-N306 VanDerWaalsContact C-N 3.31Å; N306-N374 PolarHBondContact O-ND2 3.22Å | ||
| 307 | H | 95.9 | Very high | 96.1 | Very high | 23 Ų | 23 | 54.3 Ų | 54.3 | 11% | 0.106 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -83.7 | 170.6 | 179.6 | 63.1 | -79.8 | 0 | 0 | 0 | 112.1 | R309 V312 V371 F372 N374 | H307-R309 PolarHBondContact O-N 3.37Å; H307-R309 VanDerWaalsContact O-N 3.11Å; H307-V312 PolarHBondContact CD2-O 3.45Å; H307-V312 PolarHBondContact NE2-O 3.15Å; H307-V371 HydrophobicContact CB-CG1 4.2Å; H307-V371 WeakPolarHBondContact CB-O 3.45Å; H307-F372 AromaticContact CE1-CD2 3.53Å; H307-F372 AromaticContact ND1-CD2 3.6Å; H307-N374 HydrophobicContact CB-CB 4.15Å |
| 308 | D | 95.7 | Very high | 96.2 | Very high | 89 Ų | 89 | 54.3 Ų | 54.3 | 48% | 0.476 | 28% | 0.282 | S | S | . | . | trans | -67.2 | 107.9 | 171.2 | 180 | 6.9 | 0 | 0 | 0 | 110.9 | N310 R311 V312 | D308-N310 PolarHBondContact O-N 3.4Å; D308-N310 WeakPolarHBondContact OD1-CB 3.35Å; D308-N310 PolarHBondContact OD1-N 3.33Å; D308-N310 PolarHBondContact OD1-ND2 2.98Å; D308-R311 HydrophobicContact CB-CB 4.25Å; D308-R311 PolarHBondContact O-N 3.23Å; D308-R311 VanDerWaalsContact O-N 3.16Å; D308-V312 PolarHBondContact O-N 2.81Å | ||
| 309 | R | 95 | Very high | 96.2 | Very high | 181 Ų | 181 | 56.5 Ų | 56.5 | 68% | 0.683 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -16.9 | -178.9 | -65.8 | -171.7 | 178.8 | -162.7 | -1.4 | 113.9 | H307 V312 P313 | H307-R309 PolarHBondContact O-N 3.37Å; H307-R309 VanDerWaalsContact O-N 3.11Å; R309-V312 WeakPolarHBondContact CA-O 3.3Å; R309-V312 CarbonylContact O-C 3.49Å; R309-P313 WeakPolarHBondContact O-CA 3.38Å |
| 310 | N | 94.8 | Very high | 96.2 | Very high | 135 Ų | 135 | 54.4 Ų | 54.4 | 72% | 0.722 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -36.2 | 172.8 | -61.1 | -44 | 0 | 0 | 0 | 110.8 | D308 | D308-N310 PolarHBondContact O-N 3.4Å; D308-N310 WeakPolarHBondContact OD1-CB 3.35Å; D308-N310 PolarHBondContact OD1-N 3.33Å; D308-N310 PolarHBondContact OD1-ND2 2.98Å |
| 311 | R | 96 | Very high | 96.3 | Very high | 112 Ų | 112 | 54.3 Ų | 54.3 | 42% | 0.423 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -41.7 | 175.5 | -176.8 | 171.7 | 175.9 | 179.1 | 0 | 112 | D308 Q362 S363 V371 | D308-R311 HydrophobicContact CB-CB 4.25Å; D308-R311 PolarHBondContact O-N 3.23Å; D308-R311 VanDerWaalsContact O-N 3.16Å; R311-Q362 WeakPolarHBondContact O-CA 3.16Å; R311-S363 PolarHBondContact NE-OG 3.29Å; R311-S363 PolarHBondContact O-N 3Å; R311-V371 HydrophobicContact CG-CG1 4.43Å |
| 312 | V | 96.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -127.3 | 97.7 | 176.8 | 179.5 | 0 | 0 | 0 | 0 | 110.4 | H307 D308 R309 V371 | H307-V312 PolarHBondContact CD2-O 3.45Å; H307-V312 PolarHBondContact NE2-O 3.15Å; D308-V312 PolarHBondContact O-N 2.81Å; R309-V312 WeakPolarHBondContact CA-O 3.3Å; R309-V312 CarbonylContact O-C 3.49Å; V312-V371 HydrophobicContact CB-CG1 4.45Å; V312-V371 HydrophobicContact CG2-CB 3.62Å; V312-V371 HydrophobicContact CG2-CG1 3.55Å; V312-V371 HydrophobicContact CG2-CG2 4.38Å | ||
| 313 | P | 88.8 | Confident | 96.4 | Very high | 85 Ų | 85 | 56.6 Ų | 56.6 | 55% | 0.552 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -71.1 | -34.2 | -178.6 | 25.8 | -32.8 | 0 | 0 | 0 | 112.8 | R309 | R309-P313 WeakPolarHBondContact O-CA 3.38Š|
| 314 | R | 91.2 | Very high | 96.4 | Very high | 101 Ų | 101 | 56.2 Ų | 56.2 | 38% | 0.381 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -155.8 | 158.1 | -178.6 | 59.6 | -179.4 | -176.5 | 76.5 | -4.1 | 111.3 | D320 E354 | R314-D320 IonicContact CZ-OD1 3.84Å; R314-D320 IonicContact CZ-OD2 3.49Å; R314-D320 IonicContact NH1-OD1 3.63Å; R314-D320 IonicContact NH1-OD2 3.13Å; R314-D320 PolarHBondContact NH1-OD2 3.21Å; R314-D320 IonicContact NH2-OD1 2.97Å; R314-D320 PolarHBondContact NH2-OD1 2.64Å; R314-D320 IonicContact NH2-OD2 2.96Å; R314-D320 PolarHBondContact NH2-OD2 3.31Å; R314-E354 IonicContact CZ-OE1 2.85Å; R314-E354 IonicContact NH2-OE1 3.58Å; R314-E354 PolarHBondContact NH2-OE1 3.5Å |
| 315 | L | 95.6 | Very high | 96.4 | Very high | 17 Ų | 17 | 55.3 Ų | 55.3 | 9% | 0.089 | 29% | 0.286 | C | S | . | . | trans | -70.9 | 158 | 164.7 | -73.2 | 177.3 | 0 | 0 | 0 | 110.6 | A244 L369 F372 | A244-L315 HydrophobicContact CB-CD1 4.22Å; A244-L315 WeakPolarHBondContact O-CB 3.36Å; A244-L315 WeakPolarHBondContact O-CD1 3.25Å; L315-L369 HydrophobicContact CD2-CD1 3.66Å; L315-F372 HydrophobicContact CD1-CD1 4.12Å; L315-F372 HydrophobicContact CD1-CD2 4.09Å; L315-F372 HydrophobicContact CD1-CE1 3.94Å; L315-F372 HydrophobicContact CD1-CE2 3.92Å; L315-F372 HydrophobicContact CD1-CG 4.2Å; L315-F372 HydrophobicContact CD1-CZ 3.86Å; L315-F372 HydrophobicContact CD2-CB 3.72Å; L315-F372 HydrophobicContact CD2-CD1 4Å; L315-F372 HydrophobicContact CD2-CD2 3.95Å; L315-F372 HydrophobicContact CD2-CG 3.62Å; L315-F372 HydrophobicContact CG-CD1 4.46Å; L315-F372 HydrophobicContact CG-CD2 3.93Å; L315-F372 HydrophobicContact CG-CE2 4.19Å; L315-F372 HydrophobicContact CG-CG 4.09Å | ||
| 316 | P | 97.6 | Very high | 96.6 | Very high | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.019 | 30% | 0.297 | C | S | . | . | trans | -81.4 | 153.5 | -172.9 | 1.6 | 16.2 | 0 | 0 | 0 | 112.5 | W241 N243 D320 M365 S368 | W241-P316 HydrophobicContact CE3-CB 4.28Å; W241-P316 HydrophobicContact CE3-CG 3.88Å; W241-P316 HydrophobicContact CH2-CB 4.04Å; W241-P316 HydrophobicContact CH2-CG 3.72Å; W241-P316 HydrophobicContact CZ3-CB 3.45Å; W241-P316 VanDerWaalsContact CZ3-CB 3.45Å; W241-P316 HydrophobicContact CZ3-CG 3.3Å; N243-P316 PolarHBondContact N-O 3.46Å; P316-D320 WeakPolarHBondContact CA-OD2 3.34Å; P316-D320 HydrophobicContact CB-CB 4.27Å; P316-M365 HydrophobicContact CB-SD 3.67Å; P316-M365 HydrophobicContact CG-SD 4.29Å; P316-S368 WeakPolarHBondContact CD-OG 3.37Å; P316-S368 VanDerWaalsContact CG-OG 3.27Å; P316-S368 WeakPolarHBondContact CG-OG 3.45Å | ||
| 317 | T | 98.3 | Very high | 96.7 | Very high | 35 Ų | 35 | 51.9 Ų | 51.9 | 22% | 0.215 | 27% | 0.273 | C | S | . | . | trans | -107.2 | 171.1 | -172.7 | 64.1 | 0 | 0 | 0 | 0 | 110.9 | N243 A319 D320 V321 | N243-T317 VanDerWaalsContact OD1-CA 3.25Å; N243-T317 WeakPolarHBondContact OD1-CA 2.97Å; N243-T317 VanDerWaalsContact OD1-CB 3.28Å; N243-T317 WeakPolarHBondContact OD1-CB 3.17Å; T317-A319 PolarHBondContact O-N 2.79Å; T317-A319 PolarHBondContact OG1-N 3.35Å; T317-D320 WeakPolarHBondContact CB-OD2 3.17Å; T317-D320 PolarHBondContact N-OD2 3.28Å; T317-D320 PolarHBondContact O-N 2.66Å; T317-D320 PolarHBondContact OG1-N 3.25Å; T317-D320 PolarHBondContact OG1-OD2 2.85Å; T317-V321 PolarHBondContact O-N 3.05Å | ||
| 318 | T | 98.1 | Very high | 96.7 | Very high | 46 Ų | 46 | 54.7 Ų | 54.7 | 28% | 0.282 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.9 | -39.2 | 170.6 | -59.6 | 0 | 0 | 0 | 0 | 111.8 | N243 D320 V321 D322 | N243-T318 PolarHBondContact ND2-OG1 2.73Å; N243-T318 PolarHBondContact OD1-N 3.4Å; T318-D320 VanDerWaalsContact C-N 3.34Å; T318-D320 PolarHBondContact O-N 3.32Å; T318-V321 PolarHBondContact O-N 3.32Å; T318-D322 VanDerWaalsContact O-CG 3.23Å; T318-D322 PolarHBondContact O-N 3.1Å |
| 319 | A | 98.4 | Very high | 96.8 | Very high | 66 Ų | 66 | 55.4 Ų | 55.4 | 55% | 0.545 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.2 | -38.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T317 D322 F323 | T317-A319 PolarHBondContact O-N 2.79Å; T317-A319 PolarHBondContact OG1-N 3.35Å; A319-D322 PolarHBondContact O-N 3.07Å; A319-F323 WeakPolarHBondContact O-CB 3.35Å; A319-F323 PolarHBondContact O-N 3.39Å |
| 320 | D | 98.6 | Very high | 97 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 176.4 | -59 | -45.5 | 0 | 0 | 0 | 111.5 | R314 P316 T317 T318 F323 A324 P353 M365 | R314-D320 IonicContact CZ-OD1 3.84Å; R314-D320 IonicContact CZ-OD2 3.49Å; R314-D320 IonicContact NH1-OD1 3.63Å; R314-D320 IonicContact NH1-OD2 3.13Å; R314-D320 PolarHBondContact NH1-OD2 3.21Å; R314-D320 IonicContact NH2-OD1 2.97Å; R314-D320 PolarHBondContact NH2-OD1 2.64Å; R314-D320 IonicContact NH2-OD2 2.96Å; R314-D320 PolarHBondContact NH2-OD2 3.31Å; P316-D320 WeakPolarHBondContact CA-OD2 3.34Å; P316-D320 HydrophobicContact CB-CB 4.27Å; T317-D320 WeakPolarHBondContact CB-OD2 3.17Å; T317-D320 PolarHBondContact N-OD2 3.28Å; T317-D320 PolarHBondContact O-N 2.66Å; T317-D320 PolarHBondContact OG1-N 3.25Å; T317-D320 PolarHBondContact OG1-OD2 2.85Å; T318-D320 VanDerWaalsContact C-N 3.34Å; T318-D320 PolarHBondContact O-N 3.32Å; D320-F323 PolarHBondContact O-N 3.41Å; D320-A324 WeakPolarHBondContact O-CB 3.37Å; D320-A324 PolarHBondContact O-N 3.23Å; D320-P353 HydrophobicContact CB-CB 3.69Å; D320-P353 HydrophobicContact CB-CG 3.81Å; D320-M365 HydrophobicContact CB-CE 4.42Å; D320-M365 HydrophobicContact CB-SD 3.57Å; D320-M365 VanDerWaalsContact CB-SD 3.57Å |
| 321 | V | 98.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.2 | -42.5 | 175.7 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | W241 R242 T317 T318 A324 V325 M365 I399 | W241-V321 HydrophobicContact CH2-CG2 4.34Å; W241-V321 HydrophobicContact CZ3-CG2 4.41Å; R242-V321 HydrophobicContact CG-CG2 3.89Å; T317-V321 PolarHBondContact O-N 3.05Å; T318-V321 PolarHBondContact O-N 3.32Å; V321-A324 PolarHBondContact O-N 3.32Å; V321-V325 HydrophobicContact CG1-CG2 4.27Å; V321-V325 WeakPolarHBondContact O-CB 3.29Å; V321-V325 VanDerWaalsContact O-CG2 3.26Å; V321-V325 WeakPolarHBondContact O-CG2 3.34Å; V321-V325 PolarHBondContact O-N 3.46Å; V321-M365 HydrophobicContact CB-CE 4.42Å; V321-M365 HydrophobicContact CG2-CE 3.79Å; V321-I399 HydrophobicContact CG1-CD1 4.01Å; V321-I399 HydrophobicContact CG1-CG1 3.99Å; V321-I399 HydrophobicContact CG1-CG2 4.03Å; V321-I399 HydrophobicContact CG2-CD1 3.98Å |
| 322 | D | 98.5 | Very high | 97.2 | Very high | 67 Ų | 67 | 37.5 Ų | 37.5 | 36% | 0.358 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.2 | -39.8 | 178.8 | -69.7 | -18.2 | 0 | 0 | 0 | 111.9 | T318 A319 G326 R402 | T318-D322 VanDerWaalsContact O-CG 3.23Å; T318-D322 PolarHBondContact O-N 3.1Å; A319-D322 PolarHBondContact O-N 3.07Å; D322-G326 PolarHBondContact O-N 3.36Å; D322-R402 IonicContact OD1-CZ 3.76Å; D322-R402 IonicContact OD1-NH1 3.82Å; D322-R402 PolarHBondContact OD1-NH1 3.28Å; D322-R402 IonicContact OD1-NH2 4Å; D322-R402 PolarHBondContact OD1-NH2 3.25Å |
| 323 | F | 98.7 | Very high | 97 | Very high | 65 Ų | 65 | 40.7 Ų | 40.7 | 29% | 0.285 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.6 | -51.1 | 173.1 | 177.2 | -88.9 | 0 | 0 | 0 | 111.2 | A319 D320 V325 G326 L327 V346 P353 E354 | A319-F323 WeakPolarHBondContact O-CB 3.35Å; A319-F323 PolarHBondContact O-N 3.39Å; D320-F323 PolarHBondContact O-N 3.41Å; F323-V325 PolarHBondContact O-N 3.04Å; F323-G326 PolarHBondContact O-N 2.78Å; F323-L327 HydrophobicContact CE1-CD1 4.17Å; F323-L327 HydrophobicContact CE1-CD2 4.32Å; F323-L327 HydrophobicContact CE1-CG 4.41Å; F323-L327 HydrophobicContact CZ-CD2 4.35Å; F323-L327 PolarHBondContact O-N 3.18Å; F323-V346 HydrophobicContact CD1-CG1 4.44Å; F323-P353 WeakPolarHBondContact CB-O 3.01Å; F323-P353 WeakPolarHBondContact CD1-O 3.49Å; F323-P353 WeakPolarHBondContact CG-O 2.99Å; F323-E354 WeakPolarHBondContact CE2-O 3.26Å |
| 324 | A | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.7 | -50.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | D320 V321 G326 L327 F343 V346 M365 | D320-A324 WeakPolarHBondContact O-CB 3.37Å; D320-A324 PolarHBondContact O-N 3.23Å; V321-A324 PolarHBondContact O-N 3.32Å; A324-G326 PolarHBondContact O-N 2.8Å; A324-G326 VanDerWaalsContact O-N 3.17Å; A324-L327 WeakPolarHBondContact O-CB 3.5Å; A324-L327 PolarHBondContact O-N 3.45Å; A324-L327 VanDerWaalsContact O-N 3.08Å; A324-F343 VanDerWaalsContact O-CD2 3.25Å; A324-F343 WeakPolarHBondContact O-CD2 3.25Å; A324-V346 HydrophobicContact CB-CG1 3.76Å; A324-M365 HydrophobicContact CB-CE 4.23Å |
| 325 | V | 98.6 | Very high | 97.3 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.024 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.5 | -22 | 178.3 | 170.2 | 0 | 0 | 0 | 0 | 112.8 | V321 F323 I399 R402 H407 | V321-V325 HydrophobicContact CG1-CG2 4.27Å; V321-V325 WeakPolarHBondContact O-CB 3.29Å; V321-V325 VanDerWaalsContact O-CG2 3.26Å; V321-V325 WeakPolarHBondContact O-CG2 3.34Å; V321-V325 PolarHBondContact O-N 3.46Å; F323-V325 PolarHBondContact O-N 3.04Å; V325-I399 HydrophobicContact CG2-CG2 3.65Å; V325-R402 HydrophobicContact CG1-CG 4.03Å; V325-R402 HydrophobicContact CG2-CG 4.41Å; V325-H407 PolarHBondContact O-CE1 3.16Å |
| 326 | G | 98.3 | Very high | 97.4 | Very high | 49 Ų | 49 | 38.6 Ų | 38.6 | 51% | 0.505 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -7.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | D322 F323 A324 | D322-G326 PolarHBondContact O-N 3.36Å; F323-G326 PolarHBondContact O-N 2.78Å; A324-G326 PolarHBondContact O-N 2.8Å; A324-G326 VanDerWaalsContact O-N 3.17Å |
| 327 | L | 98.4 | Very high | 97.3 | Very high | 7 Ų | 7 | 41.7 Ų | 41.7 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | trans | -75.7 | 122.9 | 177.3 | -67 | 169.2 | 0 | 0 | 0 | 110.3 | F323 A324 M341 F343 V346 W403 H407 | F323-L327 HydrophobicContact CE1-CD1 4.17Å; F323-L327 HydrophobicContact CE1-CD2 4.32Å; F323-L327 HydrophobicContact CE1-CG 4.41Å; F323-L327 HydrophobicContact CZ-CD2 4.35Å; F323-L327 PolarHBondContact O-N 3.18Å; A324-L327 WeakPolarHBondContact O-CB 3.5Å; A324-L327 PolarHBondContact O-N 3.45Å; A324-L327 VanDerWaalsContact O-N 3.08Å; L327-M341 HydrophobicContact CD2-CE 3.64Å; L327-M341 HydrophobicContact CD2-SD 4.46Å; L327-F343 HydrophobicContact CB-CB 4.19Å; L327-V346 HydrophobicContact CD1-CB 3.89Å; L327-V346 HydrophobicContact CD1-CG1 4.21Å; L327-V346 HydrophobicContact CD1-CG2 3.63Å; L327-W403 PolarHBondContact O-NE1 2.75Å; L327-H407 PolarHBondContact O-CE1 3.31Å | ||
| 328 | P | 96.9 | Very high | 97.2 | Very high | 81 Ų | 81 | 44.9 Ų | 44.9 | 53% | 0.526 | 27% | 0.267 | S | S | . | . | trans | -76.2 | -29.7 | -172.6 | 29.1 | -34.9 | 0 | 0 | 0 | 113.9 | W403 H407 | P328-W403 WeakPolarHBondContact O-CZ2 3.35Å; P328-H407 WeakPolarHBondContact CA-NE2 3.46Å | ||
| 329 | E | 98.1 | Very high | 97.2 | Very high | 105 Ų | 105 | 42.9 Ų | 42.9 | 49% | 0.491 | 25% | 0.254 | S | S | . | . | trans | -89.1 | 126.4 | -176.1 | -59.5 | -54.7 | 149 | 0 | 0 | 110.6 | E331 T332 F343 | E329-E331 VanDerWaalsContact C-N 3.31Å; E329-E331 PolarHBondContact O-N 2.84Å; E329-T332 HydrophobicContact CB-CG2 3.73Å; E329-T332 HydrophobicContact CG-CG2 4.28Å; E329-F343 VanDerWaalsContact O-CB 3.26Å; E329-F343 WeakPolarHBondContact O-CB 3.17Å; E329-F343 PolarHBondContact O-N 3.11Å | ||
| 330 | Y | 98.3 | Very high | 97.2 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -59.3 | -47.7 | 174.5 | 179.7 | -115.1 | 0 | 0 | 0 | 111 | A208 L211 P212 S342 F343 R344 F400 W403 Y414 F442 | A208-Y330 HydrophobicContact CB-CE1 4.1Å; A208-Y330 PolarHBondContact O-OH 3.29Å; L211-Y330 HydrophobicContact CD1-CE2 3.99Å; P212-Y330 WeakPolarHBondContact CD-OH 3.41Å; Y330-S342 PolarHBondContact O-OG 3.43Å; Y330-F343 AromaticContact CD2-CD1 3.99Å; Y330-F343 HydrophobicContact CD2-CD1 3.99Å; Y330-F343 HydrophobicContact CE2-CD1 4.34Å; Y330-F343 PolarHBondContact O-N 2.75Å; Y330-R344 HydrophobicContact CE2-CB 4.24Å; Y330-R344 WeakPolarHBondContact O-CB 3.28Å; Y330-R344 PolarHBondContact O-N 3.39Å; Y330-F400 HydrophobicContact CE2-CE2 4.09Å; Y330-W403 HydrophobicContact CD2-CH2 4.02Å; Y330-W403 AromaticContact CD2-CZ3 3.99Å; Y330-W403 HydrophobicContact CD2-CZ3 3.99Å; Y330-W403 HydrophobicContact CG-CH2 4.3Å; Y330-Y414 HydrophobicContact CD1-CD2 4.17Å; Y330-Y414 AromaticContact CE1-CD2 3.6Å; Y330-Y414 HydrophobicContact CE1-CD2 3.6Å; Y330-Y414 AromaticContact CE1-CE2 3.63Å; Y330-Y414 HydrophobicContact CE1-CE2 3.63Å; Y330-F442 AromaticContact CD1-CE2 3.99Å; Y330-F442 HydrophobicContact CD1-CE2 3.99Å; Y330-F442 HydrophobicContact CD1-CZ 4.26Å; Y330-F442 HydrophobicContact CD2-CD2 4.47Å; Y330-F442 AromaticContact CD2-CE2 3.37Å; Y330-F442 HydrophobicContact CD2-CE2 3.37Å; Y330-F442 AromaticContact CD2-CZ 3.82Å; Y330-F442 HydrophobicContact CD2-CZ 3.82Å; Y330-F442 HydrophobicContact CE1-CD2 4.45Å; Y330-F442 HydrophobicContact CE1-CE2 4.05Å; Y330-F442 HydrophobicContact CE2-CD2 4.17Å; Y330-F442 AromaticContact CE2-CE2 3.42Å; Y330-F442 HydrophobicContact CE2-CE2 3.42Å; Y330-F442 VanDerWaalsContact CE2-CE2 3.42Å; Y330-F442 HydrophobicContact CE2-CZ 4.32Å; Y330-F442 AromaticContact CG-CE2 3.66Å; Y330-F442 HydrophobicContact CG-CE2 3.66Å; Y330-F442 AromaticContact CG-CZ 3.78Å; Y330-F442 HydrophobicContact CG-CZ 3.78Å; Y330-F442 AromaticContact CZ-CE2 3.78Å |
| 331 | E | 97.3 | Very high | 97.2 | Very high | 19 Ų | 19 | 46.7 Ų | 46.7 | 9% | 0.089 | 26% | 0.264 | C | S | . | . | trans | -141.9 | 156.5 | -177.5 | -88.6 | -72.7 | -151.4 | 0 | 0 | 111.4 | A208 E329 M335 S342 R344 | A208-E331 WeakPolarHBondContact CA-OE1 3.22Å; A208-E331 HydrophobicContact CB-CG 3.98Å; A208-E331 PolarHBondContact N-OE1 3.17Å; A208-E331 VanDerWaalsContact N-OE1 3.16Å; E329-E331 VanDerWaalsContact C-N 3.31Å; E329-E331 PolarHBondContact O-N 2.84Å; E331-M335 HydrophobicContact CB-CG 4.25Å; E331-S342 WeakPolarHBondContact OE2-CB 3.36Å; E331-S342 PolarHBondContact OE2-OG 3.39Å; E331-R344 VanDerWaalsContact CD-NH2 3.32Å; E331-R344 HydrophobicContact CG-CB 4.24Å; E331-R344 IonicContact OE1-CZ 2.65Å; E331-R344 IonicContact OE1-NE 3.65Å; E331-R344 PolarHBondContact OE1-NE 2.56Å; E331-R344 IonicContact OE1-NH2 3.69Å; E331-R344 PolarHBondContact OE1-NH2 2.85Å; E331-R344 IonicContact OE2-CZ 3.53Å; E331-R344 IonicContact OE2-NE 2.75Å; E331-R344 IonicContact OE2-NH2 3.62Å; E331-R344 PolarHBondContact OE2-NH2 3.23Å; E331-R344 VanDerWaalsContact OE2-NH2 3.13Å | ||
| 332 | T | 97.1 | Very high | 97.2 | Very high | 30 Ų | 30 | 46.6 Ų | 46.6 | 18% | 0.184 | 26% | 0.264 | C | S | . | . | trans | -146.9 | 165.1 | -178.4 | 64.3 | 0 | 0 | 0 | 0 | 111.6 | E329 N334 M335 A339 N340 S342 | E329-T332 HydrophobicContact CB-CG2 3.73Å; E329-T332 HydrophobicContact CG-CG2 4.28Å; T332-N334 PolarHBondContact O-N 3.1Å; T332-M335 PolarHBondContact O-N 3.35Å; T332-A339 WeakPolarHBondContact O-CB 3.37Å; T332-N340 WeakPolarHBondContact CB-O 3.32Å; T332-N340 PolarHBondContact OG1-O 2.69Å; T332-S342 WeakPolarHBondContact OG1-CB 3.28Å | ||
| 333 | G | 93.7 | Very high | 97.2 | Very high | 67 Ų | 67 | 43.4 Ų | 43.4 | 69% | 0.691 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | -128 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | M335 | G333-M335 PolarHBondContact O-N 2.94Š|
| 334 | N | 90.1 | Very high | 97.2 | Very high | 109 Ų | 109 | 40.3 Ų | 40.3 | 58% | 0.583 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -3.6 | -179.6 | -64.3 | -10.3 | 0 | 0 | 0 | 113.6 | T332 D336 | T332-N334 PolarHBondContact O-N 3.1Å; N334-D336 WeakPolarHBondContact CB-OD2 3.23Å; N334-D336 PolarHBondContact O-N 3.34Å |
| 335 | M | 96.3 | Very high | 97.2 | Very high | 32 Ų | 32 | 40.3 Ų | 40.3 | 16% | 0.158 | 23% | 0.233 | C | C | . | . | S | Bend | trans | 57.1 | 35.9 | 179.9 | -53.5 | 169.3 | -82.2 | 0 | 0 | 112.4 | S207 E331 T332 G333 P415 N418 A419 P420 | S207-M335 WeakPolarHBondContact CB-O 3.03Å; S207-M335 PolarHBondContact OG-O 3.27Å; E331-M335 HydrophobicContact CB-CG 4.25Å; T332-M335 PolarHBondContact O-N 3.35Å; G333-M335 PolarHBondContact O-N 2.94Å; M335-P415 HydrophobicContact SD-CB 3.4Å; M335-P415 WeakPolarHBondContact SD-CB 3.41Å; M335-P415 HydrophobicContact SD-CG 4.03Å; M335-N418 HydrophobicContact CE-CB 4.32Å; M335-A419 HydrophobicContact SD-CB 4.42Å; M335-P420 WeakPolarHBondContact O-CD 3.05Å |
| 336 | D | 96.3 | Very high | 97.2 | Very high | 18 Ų | 18 | 40.1 Ų | 40.1 | 10% | 0.096 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -125.2 | -172.1 | -179.9 | 64.2 | 22.2 | 0 | 0 | 0 | 111.3 | E206 N334 F338 A339 R344 P420 | E206-D336 CarbonylContact O-C 3.36Å; E206-D336 WeakPolarHBondContact O-CA 3.31Å; N334-D336 WeakPolarHBondContact CB-OD2 3.23Å; N334-D336 PolarHBondContact O-N 3.34Å; D336-F338 PolarHBondContact O-N 3.44Å; D336-F338 WeakPolarHBondContact OD1-CA 3.38Å; D336-F338 WeakPolarHBondContact OD1-CB 3.28Å; D336-F338 PolarHBondContact OD1-N 3.01Å; D336-A339 VanDerWaalsContact O-CB 3.27Å; D336-A339 WeakPolarHBondContact O-CB 3.35Å; D336-A339 PolarHBondContact O-N 2.63Å; D336-R344 PolarHBondContact O-NH2 3.21Å; D336-P420 HydrophobicContact CB-CG 4.25Å |
| 337 | R | 96.2 | Very high | 97.2 | Very high | 68 Ų | 68 | 37.8 Ų | 37.8 | 26% | 0.257 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -13 | 177 | 59.9 | 174.7 | 176 | -123.8 | -8.9 | 114.6 | D200 E206 N345 F350 | D200-R337 IonicContact OD1-CZ 3.31Å; D200-R337 IonicContact OD1-NH1 3.95Å; D200-R337 PolarHBondContact OD1-NH1 2.85Å; D200-R337 IonicContact OD1-NH2 3.36Å; D200-R337 PolarHBondContact OD1-NH2 3.33Å; D200-R337 IonicContact OD2-NH2 2.71Å; E206-R337 HydrophobicContact CB-CB 4.25Å; E206-R337 PolarHBondContact O-N 3.08Å; E206-R337 IonicContact OE1-NH1 3.33Å; E206-R337 PolarHBondContact OE1-NH1 2.91Å; E206-R337 VanDerWaalsContact OE2-CD 3.29Å; E206-R337 WeakPolarHBondContact OE2-CD 3.24Å; E206-R337 IonicContact OE2-CZ 2.78Å; E206-R337 IonicContact OE2-NE 3.45Å; E206-R337 IonicContact OE2-NH1 3.83Å; E206-R337 PolarHBondContact OE2-NH1 3.47Å; R337-N345 WeakPolarHBondContact CA-OD1 3.03Å; R337-N345 PolarHBondContact O-ND2 3.17Å; R337-F350 HydrophobicContact CB-CB 4.14Å; R337-F350 HydrophobicContact CB-CD1 3.87Å; R337-F350 HydrophobicContact CB-CD2 3.87Å; R337-F350 HydrophobicContact CB-CE1 4.17Å; R337-F350 HydrophobicContact CB-CE2 4.18Å; R337-F350 HydrophobicContact CB-CG 3.7Å; R337-F350 HydrophobicContact CB-CZ 4.32Å; R337-F350 WeakPolarHBondContact O-CB 3.1Å |
| 338 | F | 96.8 | Very high | 97.2 | Very high | 103 Ų | 103 | 37.5 Ų | 37.5 | 45% | 0.452 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 2.6 | 177.7 | -53.1 | -71.9 | 0 | 0 | 0 | 113.4 | D336 N340 | D336-F338 PolarHBondContact O-N 3.44Å; D336-F338 WeakPolarHBondContact OD1-CA 3.38Å; D336-F338 WeakPolarHBondContact OD1-CB 3.28Å; D336-F338 PolarHBondContact OD1-N 3.01Å; F338-N340 PolarHBondContact O-N 2.8Å |
| 339 | A | 97.4 | Very high | 97.3 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 3% | 0.025 | 18% | 0.181 | C | C | . | . | trans | -63.6 | 125.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | T332 D336 N345 | T332-A339 WeakPolarHBondContact O-CB 3.37Å; D336-A339 VanDerWaalsContact O-CB 3.27Å; D336-A339 WeakPolarHBondContact O-CB 3.35Å; D336-A339 PolarHBondContact O-N 2.63Å; A339-N345 HydrophobicContact CB-CB 4.21Å; A339-N345 PolarHBondContact N-ND2 3.41Å; A339-N345 PolarHBondContact O-ND2 3.12Å | ||
| 340 | N | 98.3 | Very high | 97.3 | Very high | 68 Ų | 68 | 30.6 Ų | 30.6 | 36% | 0.364 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -94.8 | 143.3 | 177.2 | -66.6 | -34.6 | 0 | 0 | 0 | 110.8 | T332 F338 S342 G356 Q357 A358 | T332-N340 WeakPolarHBondContact CB-O 3.32Å; T332-N340 PolarHBondContact OG1-O 2.69Å; F338-N340 PolarHBondContact O-N 2.8Å; N340-S342 PolarHBondContact O-N 2.95Å; N340-G356 CarbonylContact C-O 3.48Å; N340-G356 WeakPolarHBondContact CA-O 3.42Å; N340-Q357 PolarHBondContact ND2-OE1 2.76Å; N340-Q357 WeakPolarHBondContact OD1-CA 3.37Å; N340-Q357 PolarHBondContact OD1-OE1 2.59Å; N340-A358 PolarHBondContact OD1-N 3.2Å |
| 341 | M | 98 | Very high | 97.3 | Very high | 82 Ų | 82 | 30.5 Ų | 30.5 | 40% | 0.404 | 17% | 0.166 | S | C | . | . | S | Bend | trans | 58.4 | 22.5 | -179 | -51.9 | -61.7 | -67.7 | 0 | 0 | 113.3 | L327 T355 G356 | L327-M341 HydrophobicContact CD2-CE 3.64Å; L327-M341 HydrophobicContact CD2-SD 4.46Å; M341-T355 VanDerWaalsContact SD-O 3.4Å; M341-G356 PolarHBondContact N-O 3.34Å |
| 342 | S | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -88.9 | 122.2 | 173.1 | 161.9 | 0 | 0 | 0 | 0 | 109.3 | Y330 E331 T332 N340 R344 N345 V346 | Y330-S342 PolarHBondContact O-OG 3.43Å; E331-S342 WeakPolarHBondContact OE2-CB 3.36Å; E331-S342 PolarHBondContact OE2-OG 3.39Å; T332-S342 WeakPolarHBondContact OG1-CB 3.28Å; N340-S342 PolarHBondContact O-N 2.95Å; S342-R344 VanDerWaalsContact C-N 3.3Å; S342-R344 PolarHBondContact O-N 3.29Å; S342-R344 PolarHBondContact OG-N 3.1Å; S342-N345 PolarHBondContact O-N 3.38Å; S342-N345 PolarHBondContact OG-N 3.29Å; S342-N345 VanDerWaalsContact OG-N 3.09Å; S342-V346 WeakPolarHBondContact O-CB 3.34Å; S342-V346 WeakPolarHBondContact O-CG2 3.43Å; S342-V346 PolarHBondContact O-N 2.92Å | ||
| 343 | F | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -55.2 | -47.5 | 173.5 | 163.4 | -110.2 | 0 | 0 | 0 | 111.1 | L211 A324 L327 E329 Y330 N345 V346 L347 F400 W403 | L211-F343 HydrophobicContact CD1-CD1 4.24Å; L211-F343 HydrophobicContact CD1-CE1 3.53Å; L211-F343 HydrophobicContact CD1-CZ 4.22Å; A324-F343 VanDerWaalsContact O-CD2 3.25Å; A324-F343 WeakPolarHBondContact O-CD2 3.25Å; L327-F343 HydrophobicContact CB-CB 4.19Å; E329-F343 VanDerWaalsContact O-CB 3.26Å; E329-F343 WeakPolarHBondContact O-CB 3.17Å; E329-F343 PolarHBondContact O-N 3.11Å; Y330-F343 AromaticContact CD2-CD1 3.99Å; Y330-F343 HydrophobicContact CD2-CD1 3.99Å; Y330-F343 HydrophobicContact CE2-CD1 4.34Å; Y330-F343 PolarHBondContact O-N 2.75Å; F343-N345 PolarHBondContact O-N 2.98Å; F343-V346 PolarHBondContact O-N 3.11Å; F343-L347 HydrophobicContact CE1-CD2 4.24Å; F343-L347 HydrophobicContact CE2-CB 4.22Å; F343-L347 HydrophobicContact CE2-CD2 3.91Å; F343-L347 HydrophobicContact CZ-CB 4.45Å; F343-L347 HydrophobicContact CZ-CD2 3.49Å; F343-L347 VanDerWaalsContact CZ-CD2 3.49Å; F343-L347 WeakPolarHBondContact O-CB 3.5Å; F343-L347 PolarHBondContact O-N 3.12Å; F343-F400 AromaticContact CE1-CD2 3.91Å; F343-F400 HydrophobicContact CE1-CD2 3.91Å; F343-W403 HydrophobicContact CD1-CB 4.36Å; F343-W403 AromaticContact CD1-CD1 3.76Å; F343-W403 AromaticContact CD1-CD2 3.55Å; F343-W403 HydrophobicContact CD1-CD2 3.55Å; F343-W403 AromaticContact CD1-CE2 3.7Å; F343-W403 HydrophobicContact CD1-CE3 4.08Å; F343-W403 AromaticContact CD1-CG 3.65Å; F343-W403 HydrophobicContact CD1-CG 3.65Å; F343-W403 HydrophobicContact CD1-CZ2 4.4Å; F343-W403 AromaticContact CD1-NE1 3.75Å; F343-W403 HydrophobicContact CD2-CB 4.31Å; F343-W403 AromaticContact CD2-CD1 3.32Å; F343-W403 HydrophobicContact CD2-CD2 4.49Å; F343-W403 AromaticContact CD2-CG 3.81Å; F343-W403 HydrophobicContact CD2-CG 3.81Å; F343-W403 AromaticContact CD2-NE1 3.78Å; F343-W403 HydrophobicContact CE1-CB 3.72Å; F343-W403 AromaticContact CE1-CD1 3.99Å; F343-W403 AromaticContact CE1-CD2 3.65Å; F343-W403 HydrophobicContact CE1-CD2 3.65Å; F343-W403 AromaticContact CE1-CE3 3.99Å; F343-W403 HydrophobicContact CE1-CE3 3.99Å; F343-W403 AromaticContact CE1-CG 3.5Å; F343-W403 HydrophobicContact CE1-CG 3.5Å; F343-W403 HydrophobicContact CE2-CB 3.66Å; F343-W403 AromaticContact CE2-CD1 3.57Å; F343-W403 AromaticContact CE2-CG 3.66Å; F343-W403 HydrophobicContact CE2-CG 3.66Å; F343-W403 AromaticContact CG-CD1 3.4Å; F343-W403 VanDerWaalsContact CG-CD1 3.4Å; F343-W403 AromaticContact CG-CD2 3.99Å; F343-W403 HydrophobicContact CG-CD2 3.99Å; F343-W403 AromaticContact CG-CE2 3.82Å; F343-W403 AromaticContact CG-CG 3.79Å; F343-W403 HydrophobicContact CG-CG 3.79Å; F343-W403 AromaticContact CG-NE1 3.39Å; F343-W403 HydrophobicContact CZ-CB 3.31Å; F343-W403 AromaticContact CZ-CD1 3.89Å; F343-W403 HydrophobicContact CZ-CD2 4.16Å; F343-W403 AromaticContact CZ-CG 3.5Å; F343-W403 HydrophobicContact CZ-CG 3.5Å; F343-W403 VanDerWaalsContact CZ-CG 3.5Å |
| 344 | R | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.3 | -50.9 | 178.5 | -175.7 | -77.3 | -55.7 | 161.5 | 5.9 | 110.4 | E206 S207 F210 Y330 E331 D336 S342 V346 L347 E348 | E206-R344 VanDerWaalsContact C-NH1 3.25Å; E206-R344 PolarHBondContact O-NH1 2.73Å; S207-R344 WeakPolarHBondContact O-CD 3.26Å; F210-R344 HydrophobicContact CB-CG 4.26Å; F210-R344 HydrophobicContact CD1-CG 4.42Å; Y330-R344 HydrophobicContact CE2-CB 4.24Å; Y330-R344 WeakPolarHBondContact O-CB 3.28Å; Y330-R344 PolarHBondContact O-N 3.39Å; E331-R344 VanDerWaalsContact CD-NH2 3.32Å; E331-R344 HydrophobicContact CG-CB 4.24Å; E331-R344 IonicContact OE1-CZ 2.65Å; E331-R344 IonicContact OE1-NE 3.65Å; E331-R344 PolarHBondContact OE1-NE 2.56Å; E331-R344 IonicContact OE1-NH2 3.69Å; E331-R344 PolarHBondContact OE1-NH2 2.85Å; E331-R344 IonicContact OE2-CZ 3.53Å; E331-R344 IonicContact OE2-NE 2.75Å; E331-R344 IonicContact OE2-NH2 3.62Å; E331-R344 PolarHBondContact OE2-NH2 3.23Å; E331-R344 VanDerWaalsContact OE2-NH2 3.13Å; D336-R344 PolarHBondContact O-NH2 3.21Å; S342-R344 VanDerWaalsContact C-N 3.3Å; S342-R344 PolarHBondContact O-N 3.29Å; S342-R344 PolarHBondContact OG-N 3.1Å; R344-V346 PolarHBondContact O-N 2.91Å; R344-L347 PolarHBondContact O-N 3.26Å; R344-E348 VanDerWaalsContact CD-OE2 3.28Å; R344-E348 WeakPolarHBondContact CD-OE2 3.01Å; R344-E348 IonicContact CZ-OE2 3.6Å; R344-E348 IonicContact NE-OE2 4Å; R344-E348 IonicContact NH1-OE2 2.81Å; R344-E348 PolarHBondContact NH1-OE2 2.74Å; R344-E348 WeakPolarHBondContact O-CB 3.05Å; R344-E348 PolarHBondContact O-N 3.11Å |
| 345 | N | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70.3 | -33.8 | -174 | -158.6 | 39.1 | 0 | 0 | 0 | 113.5 | R337 A339 S342 F343 G349 F350 A351 | R337-N345 WeakPolarHBondContact CA-OD1 3.03Å; R337-N345 PolarHBondContact O-ND2 3.17Å; A339-N345 HydrophobicContact CB-CB 4.21Å; A339-N345 PolarHBondContact N-ND2 3.41Å; A339-N345 PolarHBondContact O-ND2 3.12Å; S342-N345 PolarHBondContact O-N 3.38Å; S342-N345 PolarHBondContact OG-N 3.29Å; S342-N345 VanDerWaalsContact OG-N 3.09Å; F343-N345 PolarHBondContact O-N 2.98Å; N345-G349 PolarHBondContact O-N 3.22Å; N345-F350 PolarHBondContact O-N 3.03Å; N345-F350 VanDerWaalsContact O-N 3.16Å; N345-F350 WeakPolarHBondContact OD1-CB 2.81Å; N345-A351 PolarHBondContact O-N 3.11Å |
| 346 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.5 | -45.8 | 173.1 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | F323 A324 L327 S342 F343 R344 G349 A351 P353 M365 | F323-V346 HydrophobicContact CD1-CG1 4.44Å; A324-V346 HydrophobicContact CB-CG1 3.76Å; L327-V346 HydrophobicContact CD1-CB 3.89Å; L327-V346 HydrophobicContact CD1-CG1 4.21Å; L327-V346 HydrophobicContact CD1-CG2 3.63Å; S342-V346 WeakPolarHBondContact O-CB 3.34Å; S342-V346 WeakPolarHBondContact O-CG2 3.43Å; S342-V346 PolarHBondContact O-N 2.92Å; F343-V346 PolarHBondContact O-N 3.11Å; R344-V346 PolarHBondContact O-N 2.91Å; V346-G349 PolarHBondContact O-N 3.3Å; V346-A351 HydrophobicContact CB-CB 4.45Å; V346-A351 HydrophobicContact CG2-CB 3.58Å; V346-P353 HydrophobicContact CG1-CB 4.02Å; V346-M365 WeakPolarHBondContact O-CB 3.5Å; V346-M365 WeakPolarHBondContact O-CG 3.44Å |
| 347 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.3 | -41.2 | 179.5 | -180 | 56.3 | 0 | 0 | 0 | 112.3 | L211 F343 R344 G349 M365 H366 I396 I399 | L211-L347 HydrophobicContact CD1-CD2 4.05Å; L211-L347 HydrophobicContact CD2-CD2 3.8Å; L211-L347 HydrophobicContact CD2-CG 4.47Å; F343-L347 HydrophobicContact CE1-CD2 4.24Å; F343-L347 HydrophobicContact CE2-CB 4.22Å; F343-L347 HydrophobicContact CE2-CD2 3.91Å; F343-L347 HydrophobicContact CZ-CB 4.45Å; F343-L347 HydrophobicContact CZ-CD2 3.49Å; F343-L347 VanDerWaalsContact CZ-CD2 3.49Å; F343-L347 WeakPolarHBondContact O-CB 3.5Å; F343-L347 PolarHBondContact O-N 3.12Å; R344-L347 PolarHBondContact O-N 3.26Å; L347-G349 VanDerWaalsContact C-N 3.26Å; L347-G349 PolarHBondContact O-N 3.49Å; L347-M365 HydrophobicContact CD1-CE 4.08Å; L347-M365 WeakPolarHBondContact O-CB 3.46Å; L347-H366 VanDerWaalsContact O-CB 3.3Å; L347-H366 WeakPolarHBondContact O-CB 3.28Å; L347-H366 PolarHBondContact O-N 2.83Å; L347-H366 VanDerWaalsContact O-N 3.15Å; L347-I396 HydrophobicContact CD1-CD1 4.04Å; L347-I396 HydrophobicContact CD2-CG2 4.3Å; L347-I396 HydrophobicContact CG-CG2 4.37Å; L347-I399 HydrophobicContact CD1-CB 4.16Å; L347-I399 HydrophobicContact CD1-CD1 3.96Å; L347-I399 HydrophobicContact CD1-CG2 3.77Å; L347-I399 HydrophobicContact CD2-CB 4.17Å; L347-I399 HydrophobicContact CD2-CG2 3.89Å |
| 348 | E | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.3 | -37.2 | 174.6 | -173.9 | 168.1 | -163.8 | 0 | 0 | 111.5 | H205 E206 F210 R344 F350 H366 N367 | H205-E348 WeakPolarHBondContact CA-OE1 3.47Å; H205-E348 WeakPolarHBondContact CB-OE1 3.32Å; E206-E348 PolarHBondContact N-OE1 3.44Å; E206-E348 PolarHBondContact N-OE2 2.78Å; F210-E348 HydrophobicContact CD1-CB 3.76Å; F210-E348 HydrophobicContact CD1-CG 3.98Å; F210-E348 HydrophobicContact CD2-CG 4.19Å; F210-E348 HydrophobicContact CE1-CB 3.7Å; F210-E348 HydrophobicContact CE1-CG 3.95Å; F210-E348 HydrophobicContact CE2-CG 4.15Å; F210-E348 HydrophobicContact CG-CB 4.37Å; F210-E348 HydrophobicContact CG-CG 4.13Å; F210-E348 HydrophobicContact CZ-CB 4.25Å; F210-E348 HydrophobicContact CZ-CG 4.04Å; R344-E348 VanDerWaalsContact CD-OE2 3.28Å; R344-E348 WeakPolarHBondContact CD-OE2 3.01Å; R344-E348 IonicContact CZ-OE2 3.6Å; R344-E348 IonicContact NE-OE2 4Å; R344-E348 IonicContact NH1-OE2 2.81Å; R344-E348 PolarHBondContact NH1-OE2 2.74Å; R344-E348 WeakPolarHBondContact O-CB 3.05Å; R344-E348 PolarHBondContact O-N 3.11Å; E348-F350 HydrophobicContact CB-CD2 4.45Å; E348-F350 HydrophobicContact CG-CD2 3.92Å; E348-F350 HydrophobicContact CG-CE2 3.77Å; E348-H366 VanDerWaalsContact O-CB 3.27Å; E348-H366 WeakPolarHBondContact O-CB 3.25Å; E348-H366 PolarHBondContact O-ND1 3.38Å; E348-N367 PolarHBondContact O-N 2.82Å; E348-N367 PolarHBondContact O-ND2 3.08Å; E348-N367 PolarHBondContact O-OD1 3.35Å; E348-N367 VanDerWaalsContact O-OD1 3.06Å |
| 349 | G | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 106.3 | 29.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | N345 V346 L347 T364 N367 | N345-G349 PolarHBondContact O-N 3.22Å; V346-G349 PolarHBondContact O-N 3.3Å; L347-G349 VanDerWaalsContact C-N 3.26Å; L347-G349 PolarHBondContact O-N 3.49Å; G349-T364 VanDerWaalsContact CA-O 3.32Å; G349-T364 WeakPolarHBondContact CA-O 2.78Å; G349-T364 WeakPolarHBondContact CA-OG1 2.97Å; G349-T364 PolarHBondContact O-N 3.05Å; G349-T364 PolarHBondContact O-OG1 3.5Å; G349-N367 PolarHBondContact O-ND2 3.16Å |
| 350 | F | 98.1 | Very high | 97.8 | Very high | 40 Ų | 40 | 31.7 Ų | 31.7 | 18% | 0.175 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -94.2 | -15.7 | 167 | -64.1 | -79.5 | 0 | 0 | 0 | 112.5 | E206 R337 N345 E348 A358 V359 N367 | E206-F350 HydrophobicContact CB-CE2 4.41Å; E206-F350 HydrophobicContact CG-CE2 3.9Å; E206-F350 HydrophobicContact CG-CZ 3.78Å; R337-F350 HydrophobicContact CB-CB 4.14Å; R337-F350 HydrophobicContact CB-CD1 3.87Å; R337-F350 HydrophobicContact CB-CD2 3.87Å; R337-F350 HydrophobicContact CB-CE1 4.17Å; R337-F350 HydrophobicContact CB-CE2 4.18Å; R337-F350 HydrophobicContact CB-CG 3.7Å; R337-F350 HydrophobicContact CB-CZ 4.32Å; R337-F350 WeakPolarHBondContact O-CB 3.1Å; N345-F350 PolarHBondContact O-N 3.03Å; N345-F350 VanDerWaalsContact O-N 3.16Å; N345-F350 WeakPolarHBondContact OD1-CB 2.81Å; E348-F350 HydrophobicContact CB-CD2 4.45Å; E348-F350 HydrophobicContact CG-CD2 3.92Å; E348-F350 HydrophobicContact CG-CE2 3.77Å; F350-A358 WeakPolarHBondContact O-CA 3.45Å; F350-V359 PolarHBondContact O-N 2.98Å; F350-N367 WeakPolarHBondContact CE2-ND2 2.96Å; F350-N367 WeakPolarHBondContact CZ-ND2 3.47Å |
| 351 | A | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -112 | 153.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N345 V346 Q357 T364 | N345-A351 PolarHBondContact O-N 3.11Å; V346-A351 HydrophobicContact CB-CB 4.45Å; V346-A351 HydrophobicContact CG2-CB 3.58Å; A351-Q357 CarbonylContact C-O 3.41Å; A351-Q357 VanDerWaalsContact CA-O 3.27Å; A351-Q357 WeakPolarHBondContact CA-O 3.35Å; A351-Q357 WeakPolarHBondContact CB-O 3.42Å; A351-T364 PolarHBondContact O-OG1 2.84Å |
| 352 | S | 97.6 | Very high | 97.4 | Very high | 17 Ų | 17 | 31.7 Ų | 31.7 | 12% | 0.119 | 19% | 0.189 | C | C | . | . | trans | -66.9 | 128.2 | 179.1 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | E354 T355 G356 Q357 | S352-E354 PolarHBondContact O-N 3.07Å; S352-E354 VanDerWaalsContact O-N 3.16Å; S352-E354 PolarHBondContact OG-N 3.03Å; S352-E354 VanDerWaalsContact OG-N 3.09Å; S352-T355 WeakPolarHBondContact CB-OG1 3.21Å; S352-T355 PolarHBondContact OG-N 3.5Å; S352-G356 VanDerWaalsContact O-CA 3.26Å; S352-G356 WeakPolarHBondContact O-CA 3.17Å; S352-G356 PolarHBondContact O-N 3.44Å; S352-Q357 PolarHBondContact N-O 3Å | ||
| 353 | P | 97.4 | Very high | 97.3 | Very high | 8 Ų | 8 | 31.9 Ų | 31.9 | 5% | 0.052 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 14.6 | 172.1 | 36.7 | -37.9 | 0 | 0 | 0 | 112.9 | D320 F323 V346 M365 | D320-P353 HydrophobicContact CB-CB 3.69Å; D320-P353 HydrophobicContact CB-CG 3.81Å; F323-P353 WeakPolarHBondContact CB-O 3.01Å; F323-P353 WeakPolarHBondContact CD1-O 3.49Å; F323-P353 WeakPolarHBondContact CG-O 2.99Å; V346-P353 HydrophobicContact CG1-CB 4.02Å; P353-M365 HydrophobicContact CB-CG 3.91Å; P353-M365 HydrophobicContact CB-SD 3.78Å; P353-M365 HydrophobicContact CG-CG 4.11Å; P353-M365 HydrophobicContact CG-SD 4.02Å |
| 354 | E | 97.1 | Very high | 97.3 | Very high | 123 Ų | 123 | 32.8 Ų | 32.8 | 58% | 0.575 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | -31.4 | 173.2 | -61.7 | 174.9 | -171.7 | 0 | 0 | 111.6 | R314 F323 S352 | R314-E354 IonicContact CZ-OE1 2.85Å; R314-E354 IonicContact NH2-OE1 3.58Å; R314-E354 PolarHBondContact NH2-OE1 3.5Å; F323-E354 WeakPolarHBondContact CE2-O 3.26Å; S352-E354 PolarHBondContact O-N 3.07Å; S352-E354 VanDerWaalsContact O-N 3.16Å; S352-E354 PolarHBondContact OG-N 3.03Å; S352-E354 VanDerWaalsContact OG-N 3.09Å |
| 355 | T | 97.9 | Very high | 97.3 | Very high | 75 Ų | 75 | 32.8 Ų | 32.8 | 46% | 0.46 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | -13.8 | -175 | 67.6 | 0 | 0 | 0 | 0 | 114 | M341 S352 Q357 | M341-T355 VanDerWaalsContact SD-O 3.4Å; S352-T355 WeakPolarHBondContact CB-OG1 3.21Å; S352-T355 PolarHBondContact OG-N 3.5Å; T355-Q357 PolarHBondContact O-N 3.13Å; T355-Q357 PolarHBondContact OG1-N 2.9Å |
| 356 | G | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | 70.1 | 3.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | N340 M341 S352 | N340-G356 CarbonylContact C-O 3.48Å; N340-G356 WeakPolarHBondContact CA-O 3.42Å; M341-G356 PolarHBondContact N-O 3.34Å; S352-G356 VanDerWaalsContact O-CA 3.26Å; S352-G356 WeakPolarHBondContact O-CA 3.17Å; S352-G356 PolarHBondContact O-N 3.44Å | ||
| 357 | Q | 98.2 | Very high | 97.3 | Very high | 84 Ų | 84 | 34 Ų | 34 | 39% | 0.393 | 20% | 0.202 | S | C | . | . | trans | -88.1 | 139.7 | -178.8 | -58.7 | -63.8 | -49.9 | 0 | 0 | 111 | N340 A351 S352 T355 V359 | N340-Q357 PolarHBondContact ND2-OE1 2.76Å; N340-Q357 WeakPolarHBondContact OD1-CA 3.37Å; N340-Q357 PolarHBondContact OD1-OE1 2.59Å; A351-Q357 CarbonylContact C-O 3.41Å; A351-Q357 VanDerWaalsContact CA-O 3.27Å; A351-Q357 WeakPolarHBondContact CA-O 3.35Å; A351-Q357 WeakPolarHBondContact CB-O 3.42Å; S352-Q357 PolarHBondContact N-O 3Å; T355-Q357 PolarHBondContact O-N 3.13Å; T355-Q357 PolarHBondContact OG1-N 2.9Å; Q357-V359 WeakPolarHBondContact O-CG2 3.49Å | ||
| 358 | A | 97.1 | Very high | 97.2 | Very high | 23 Ų | 23 | 34 Ų | 34 | 19% | 0.19 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -57.9 | 134.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | N340 F350 | N340-A358 PolarHBondContact OD1-N 3.2Å; F350-A358 WeakPolarHBondContact O-CA 3.45Å |
| 359 | V | 94.8 | Very high | 97.2 | Very high | 40 Ų | 40 | 34 Ų | 34 | 24% | 0.242 | 20% | 0.202 | C | C | . | . | trans | -125.2 | 88.6 | -178.2 | -168.3 | 0 | 0 | 0 | 0 | 109.4 | F350 Q357 G361 Q362 | F350-V359 PolarHBondContact O-N 2.98Å; Q357-V359 WeakPolarHBondContact O-CG2 3.49Å; V359-G361 PolarHBondContact O-N 3.47Å; V359-Q362 HydrophobicContact CB-CB 4.2Å; V359-Q362 HydrophobicContact CG1-CB 3.89Å; V359-Q362 HydrophobicContact CG1-CG 3.76Å; V359-Q362 PolarHBondContact O-N 3.17Å; V359-Q362 VanDerWaalsContact O-N 3.11Å | ||
| 360 | P | 93.6 | Very high | 97.2 | Very high | 105 Ų | 105 | 34.7 Ų | 34.7 | 68% | 0.682 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 134.2 | -179.7 | -26.9 | 35 | 0 | 0 | 0 | 112.3 | Q362 | P360-Q362 VanDerWaalsContact C-N 3.26Å; P360-Q362 PolarHBondContact O-N 3.5Å |
| 361 | G | 92.9 | Very high | 97.2 | Very high | 67 Ų | 67 | 33.4 Ų | 33.4 | 69% | 0.691 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.3 | -6.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | V359 | V359-G361 PolarHBondContact O-N 3.47Š|
| 362 | Q | 95.4 | Very high | 97.2 | Very high | 82 Ų | 82 | 34 Ų | 34 | 38% | 0.383 | 20% | 0.203 | S | C | . | . | trans | -101.4 | 157.8 | 170 | -67.7 | -167.6 | 19.3 | 0 | 0 | 111.8 | R311 V359 P360 | R311-Q362 WeakPolarHBondContact O-CA 3.16Å; V359-Q362 HydrophobicContact CB-CB 4.2Å; V359-Q362 HydrophobicContact CG1-CB 3.89Å; V359-Q362 HydrophobicContact CG1-CG 3.76Å; V359-Q362 PolarHBondContact O-N 3.17Å; V359-Q362 VanDerWaalsContact O-N 3.11Å; P360-Q362 VanDerWaalsContact C-N 3.26Å; P360-Q362 PolarHBondContact O-N 3.5Å | ||
| 363 | S | 97.4 | Very high | 97.2 | Very high | 4 Ų | 4 | 33.1 Ų | 33.1 | 3% | 0.028 | 20% | 0.198 | C | C | . | . | trans | -130.8 | 116.3 | 175 | -65.1 | 0 | 0 | 0 | 0 | 108.5 | R311 S368 | R311-S363 PolarHBondContact NE-OG 3.29Å; R311-S363 PolarHBondContact O-N 3Å; S363-S368 WeakPolarHBondContact O-CB 3.18Å | ||
| 364 | T | 97.7 | Very high | 97.3 | Very high | 19 Ų | 19 | 35.4 Ų | 35.4 | 12% | 0.117 | 21% | 0.209 | C | C | . | . | trans | -112.1 | -179.2 | -179.8 | 65.6 | 0 | 0 | 0 | 0 | 109.6 | G349 A351 H366 N367 S368 | G349-T364 VanDerWaalsContact CA-O 3.32Å; G349-T364 WeakPolarHBondContact CA-O 2.78Å; G349-T364 WeakPolarHBondContact CA-OG1 2.97Å; G349-T364 PolarHBondContact O-N 3.05Å; G349-T364 PolarHBondContact O-OG1 3.5Å; A351-T364 PolarHBondContact O-OG1 2.84Å; T364-H366 PolarHBondContact O-N 3.32Å; T364-N367 PolarHBondContact O-N 3.32Å; T364-S368 PolarHBondContact O-N 3.4Å | ||
| 365 | M | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | 42.6 | -121.9 | 169 | -58.7 | -57.6 | -76.6 | 0 | 0 | 114.5 | W241 P316 D320 V321 A324 V346 L347 P353 S368 | W241-M365 HydrophobicContact CH2-CE 4.47Å; P316-M365 HydrophobicContact CB-SD 3.67Å; P316-M365 HydrophobicContact CG-SD 4.29Å; D320-M365 HydrophobicContact CB-CE 4.42Å; D320-M365 HydrophobicContact CB-SD 3.57Å; D320-M365 VanDerWaalsContact CB-SD 3.57Å; V321-M365 HydrophobicContact CB-CE 4.42Å; V321-M365 HydrophobicContact CG2-CE 3.79Å; A324-M365 HydrophobicContact CB-CE 4.23Å; V346-M365 WeakPolarHBondContact O-CB 3.5Å; V346-M365 WeakPolarHBondContact O-CG 3.44Å; L347-M365 HydrophobicContact CD1-CE 4.08Å; L347-M365 WeakPolarHBondContact O-CB 3.46Å; P353-M365 HydrophobicContact CB-CG 3.91Å; P353-M365 HydrophobicContact CB-SD 3.78Å; P353-M365 HydrophobicContact CG-CG 4.11Å; P353-M365 HydrophobicContact CG-SD 4.02Å; M365-S368 PolarHBondContact O-N 2.82Å; M365-S368 PolarHBondContact O-OG 3.01Å |
| 366 | H | 98.8 | Very high | 97.3 | Very high | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.019 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -54.4 | -55.5 | 176.9 | 156.6 | -89.6 | 0 | 0 | 0 | 112.4 | F210 L347 E348 T364 S368 L369 H370 H392 H393 I396 | F210-H366 AromaticContact CE2-CE1 3.74Å; F210-H366 AromaticContact CE2-NE2 3.74Å; F210-H366 HydrophobicContact CZ-CB 4.31Å; F210-H366 AromaticContact CZ-CD2 3.7Å; F210-H366 AromaticContact CZ-CE1 3.86Å; F210-H366 AromaticContact CZ-CG 3.73Å; F210-H366 AromaticContact CZ-ND1 3.83Å; F210-H366 AromaticContact CZ-NE2 3.76Å; L347-H366 VanDerWaalsContact O-CB 3.3Å; L347-H366 WeakPolarHBondContact O-CB 3.28Å; L347-H366 PolarHBondContact O-N 2.83Å; L347-H366 VanDerWaalsContact O-N 3.15Å; E348-H366 VanDerWaalsContact O-CB 3.27Å; E348-H366 WeakPolarHBondContact O-CB 3.25Å; E348-H366 PolarHBondContact O-ND1 3.38Å; T364-H366 PolarHBondContact O-N 3.32Å; H366-S368 PolarHBondContact O-N 3.11Å; H366-S368 VanDerWaalsContact O-N 3.1Å; H366-L369 PolarHBondContact O-N 2.99Å; H366-H370 AromaticContact CD2-CD2 3.81Å; H366-H370 AromaticContact CD2-NE2 3.76Å; H366-H370 AromaticContact CE1-CD2 3.68Å; H366-H370 AromaticContact CE1-NE2 3.79Å; H366-H370 AromaticContact NE2-CD2 3.48Å; H366-H370 PolarHBondContact NE2-CD2 2.03Å; H366-H370 AromaticContact NE2-NE2 3.21Å; H366-H370 PolarHBondContact NE2-NE2 2.99Å; H366-H370 PolarHBondContact O-N 3.39Å; H366-H392 AromaticContact CD2-CD2 3.65Å; H366-H392 AromaticContact CD2-NE2 3.05Å; H366-H392 PolarHBondContact CD2-NE2 2.85Å; H366-H392 AromaticContact CG-NE2 3.61Å; H366-H392 AromaticContact NE2-NE2 3.95Å; H366-H392 PolarHBondContact O-NE2 2.8Å; H366-H393 AromaticContact CD2-CE1 3.66Å; H366-H393 AromaticContact NE2-CE1 3.04Å; H366-H393 PolarHBondContact NE2-CE1 3.23Å; H366-H393 AromaticContact NE2-ND1 3.98Å; H366-H393 AromaticContact NE2-NE2 3.39Å; H366-H393 PolarHBondContact NE2-NE2 3.02Å; H366-I396 HydrophobicContact CB-CD1 3.68Å; H366-I396 HydrophobicContact CB-CG1 4.12Å |
| 367 | N | 98.7 | Very high | 97.2 | Very high | 21 Ų | 21 | 27.6 Ų | 27.6 | 11% | 0.112 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.9 | -32.6 | -178.5 | -71.2 | -14.6 | 0 | 0 | 0 | 113 | E348 G349 F350 T364 L369 H370 V371 | E348-N367 PolarHBondContact O-N 2.82Å; E348-N367 PolarHBondContact O-ND2 3.08Å; E348-N367 PolarHBondContact O-OD1 3.35Å; E348-N367 VanDerWaalsContact O-OD1 3.06Å; G349-N367 PolarHBondContact O-ND2 3.16Å; F350-N367 WeakPolarHBondContact CE2-ND2 2.96Å; F350-N367 WeakPolarHBondContact CZ-ND2 3.47Å; T364-N367 PolarHBondContact O-N 3.32Å; N367-L369 VanDerWaalsContact C-N 3.34Å; N367-L369 PolarHBondContact O-N 2.97Å; N367-H370 PolarHBondContact O-N 3.09Å; N367-V371 WeakPolarHBondContact O-CG2 3.39Å; N367-V371 PolarHBondContact O-N 3.25Å; N367-V371 VanDerWaalsContact O-N 3.11Å |
| 368 | S | 98.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.5 | -38 | 179.5 | 74.9 | 0 | 0 | 0 | 0 | 112.7 | P316 S363 T364 M365 H366 F372 | P316-S368 WeakPolarHBondContact CD-OG 3.37Å; P316-S368 VanDerWaalsContact CG-OG 3.27Å; P316-S368 WeakPolarHBondContact CG-OG 3.45Å; S363-S368 WeakPolarHBondContact O-CB 3.18Å; T364-S368 PolarHBondContact O-N 3.4Å; M365-S368 PolarHBondContact O-N 2.82Å; M365-S368 PolarHBondContact O-OG 3.01Å; H366-S368 PolarHBondContact O-N 3.11Å; H366-S368 VanDerWaalsContact O-N 3.1Å; S368-F372 WeakPolarHBondContact O-CB 3.21Å; S368-F372 PolarHBondContact O-N 3.44Å |
| 369 | L | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -72.2 | -41.5 | 179.7 | -166 | 75.3 | 0 | 0 | 0 | 110.9 | W239 W241 L315 H366 N367 V371 F372 M373 H392 | W239-L369 HydrophobicContact CE3-CD2 4.2Å; W239-L369 HydrophobicContact CH2-CD1 3.89Å; W239-L369 HydrophobicContact CZ3-CD1 3.88Å; W239-L369 HydrophobicContact CZ3-CD2 3.82Å; W239-L369 HydrophobicContact CZ3-CG 4.36Å; W241-L369 HydrophobicContact CB-CD1 4.44Å; W241-L369 HydrophobicContact CG-CD1 4.44Å; W241-L369 HydrophobicContact CG-CD2 4.15Å; L315-L369 HydrophobicContact CD2-CD1 3.66Å; H366-L369 PolarHBondContact O-N 2.99Å; N367-L369 VanDerWaalsContact C-N 3.34Å; N367-L369 PolarHBondContact O-N 2.97Å; L369-V371 VanDerWaalsContact C-N 3.31Å; L369-V371 PolarHBondContact O-N 3.48Å; L369-F372 HydrophobicContact CD1-CD1 4.28Å; L369-F372 PolarHBondContact O-N 3.44Å; L369-M373 HydrophobicContact CD1-CE 3.85Å; L369-M373 HydrophobicContact CD2-CE 4.44Å; L369-M373 HydrophobicContact CG-CE 4.01Å; L369-M373 WeakPolarHBondContact O-CG 3.38Å; L369-M373 PolarHBondContact O-N 3.3Å; L369-H392 HydrophobicContact CD2-CB 3.87Å; L369-H392 WeakPolarHBondContact CD2-ND1 3.4Å |
| 370 | H | 98.6 | Very high | 97.2 | Very high | 15 Ų | 15 | 28.6 Ų | 28.6 | 7% | 0.069 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -53.9 | -48.2 | 174.1 | -84.5 | -85.4 | 0 | 0 | 0 | 112 | H366 N367 M377 S378 F389 H392 H393 | H366-H370 AromaticContact CD2-CD2 3.81Å; H366-H370 AromaticContact CD2-NE2 3.76Å; H366-H370 AromaticContact CE1-CD2 3.68Å; H366-H370 AromaticContact CE1-NE2 3.79Å; H366-H370 AromaticContact NE2-CD2 3.48Å; H366-H370 PolarHBondContact NE2-CD2 2.03Å; H366-H370 AromaticContact NE2-NE2 3.21Å; H366-H370 PolarHBondContact NE2-NE2 2.99Å; H366-H370 PolarHBondContact O-N 3.39Å; N367-H370 PolarHBondContact O-N 3.09Å; H370-M377 WeakPolarHBondContact CB-O 3.19Å; H370-M377 PolarHBondContact ND1-O 2.92Å; H370-M377 CarbonylContact O-C 3.34Å; H370-S378 WeakPolarHBondContact O-CA 3.2Å; H370-S378 PolarHBondContact O-N 2.83Å; H370-S378 PolarHBondContact O-OG 3.09Å; H370-F389 AromaticContact CE1-CD2 3.9Å; H370-H392 AromaticContact CD2-CD2 3.64Å; H370-H392 AromaticContact CD2-NE2 3.57Å; H370-H392 AromaticContact NE2-CD2 3.32Å; H370-H392 PolarHBondContact NE2-CD2 3.15Å; H370-H392 VanDerWaalsContact NE2-CD2 3.32Å; H370-H392 AromaticContact NE2-NE2 3.71Å; H370-H393 AromaticContact CE1-NE2 3.74Å; H370-H393 AromaticContact NE2-NE2 3.28Å; H370-H393 PolarHBondContact NE2-NE2 3.11Å |
| 371 | V | 98.3 | Very high | 97.2 | Very high | 13 Ų | 13 | 24.2 Ų | 24.2 | 8% | 0.079 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -73.2 | -38.9 | 179.5 | 174.4 | 0 | 0 | 0 | 0 | 111.6 | H307 R311 V312 N367 L369 M373 N374 S378 | H307-V371 HydrophobicContact CB-CG1 4.2Å; H307-V371 WeakPolarHBondContact CB-O 3.45Å; R311-V371 HydrophobicContact CG-CG1 4.43Å; V312-V371 HydrophobicContact CB-CG1 4.45Å; V312-V371 HydrophobicContact CG2-CB 3.62Å; V312-V371 HydrophobicContact CG2-CG1 3.55Å; V312-V371 HydrophobicContact CG2-CG2 4.38Å; N367-V371 WeakPolarHBondContact O-CG2 3.39Å; N367-V371 PolarHBondContact O-N 3.25Å; N367-V371 VanDerWaalsContact O-N 3.11Å; L369-V371 VanDerWaalsContact C-N 3.31Å; L369-V371 PolarHBondContact O-N 3.48Å; V371-M373 PolarHBondContact O-N 2.56Å; V371-N374 PolarHBondContact O-N 3.44Å; V371-S378 PolarHBondContact O-OG 2.85Å |
| 372 | F | 98.3 | Very high | 97.4 | Very high | 11 Ų | 11 | 21.1 Ų | 21.1 | 5% | 0.048 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -55.9 | -35 | 178.3 | 169.4 | -96.5 | 0 | 0 | 0 | 113 | C247 P304 G305 H307 L315 S368 L369 N374 | C247-F372 HydrophobicContact CB-CE1 4.26Å; P304-F372 CarbonylContact C-O 3.32Å; P304-F372 VanDerWaalsContact CA-O 3.28Å; P304-F372 WeakPolarHBondContact CA-O 3.43Å; P304-F372 HydrophobicContact CB-CD1 4.18Å; P304-F372 HydrophobicContact CB-CE1 3.6Å; P304-F372 HydrophobicContact CB-CZ 4.04Å; G305-F372 VanDerWaalsContact CA-CE2 3.44Å; G305-F372 PolarHBondContact N-O 3.34Å; H307-F372 AromaticContact CE1-CD2 3.53Å; H307-F372 AromaticContact ND1-CD2 3.6Å; L315-F372 HydrophobicContact CD1-CD1 4.12Å; L315-F372 HydrophobicContact CD1-CD2 4.09Å; L315-F372 HydrophobicContact CD1-CE1 3.94Å; L315-F372 HydrophobicContact CD1-CE2 3.92Å; L315-F372 HydrophobicContact CD1-CG 4.2Å; L315-F372 HydrophobicContact CD1-CZ 3.86Å; L315-F372 HydrophobicContact CD2-CB 3.72Å; L315-F372 HydrophobicContact CD2-CD1 4Å; L315-F372 HydrophobicContact CD2-CD2 3.95Å; L315-F372 HydrophobicContact CD2-CG 3.62Å; L315-F372 HydrophobicContact CG-CD1 4.46Å; L315-F372 HydrophobicContact CG-CD2 3.93Å; L315-F372 HydrophobicContact CG-CE2 4.19Å; L315-F372 HydrophobicContact CG-CG 4.09Å; S368-F372 WeakPolarHBondContact O-CB 3.21Å; S368-F372 PolarHBondContact O-N 3.44Å; L369-F372 HydrophobicContact CD1-CD1 4.28Å; L369-F372 PolarHBondContact O-N 3.44Å; F372-N374 PolarHBondContact O-N 3.47Å |
| 373 | M | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -20.8 | 179.5 | -69.9 | -62.6 | 160.8 | 0 | 0 | 113.7 | W239 C247 R302 N303 P304 L369 V371 M377 I388 | W239-M373 HydrophobicContact CH2-CE 3.74Å; W239-M373 HydrophobicContact CZ3-CE 3.45Å; W239-M373 VanDerWaalsContact CZ3-CE 3.45Å; C247-M373 HydrophobicContact CB-CE 4.32Å; R302-M373 HydrophobicContact CG-SD 4.45Å; N303-M373 CarbonylContact C-O 3.55Å; N303-M373 PolarHBondContact N-O 3.21Å; P304-M373 HydrophobicContact CB-SD 4.08Å; P304-M373 HydrophobicContact CG-SD 3.81Å; L369-M373 HydrophobicContact CD1-CE 3.85Å; L369-M373 HydrophobicContact CD2-CE 4.44Å; L369-M373 HydrophobicContact CG-CE 4.01Å; L369-M373 WeakPolarHBondContact O-CG 3.38Å; L369-M373 PolarHBondContact O-N 3.3Å; V371-M373 PolarHBondContact O-N 2.56Å; M373-M377 HydrophobicContact CB-CB 3.54Å; M373-M377 HydrophobicContact CB-CG 4.07Å; M373-M377 HydrophobicContact CG-CB 3.97Å; M373-M377 HydrophobicContact CG-CG 4.03Å; M373-I388 HydrophobicContact CE-CD1 4.22Å; M373-I388 HydrophobicContact CE-CG2 4.04Å; M373-I388 HydrophobicContact SD-CD1 4Å |
| 374 | N | 97.7 | Very high | 97.5 | Very high | 55 Ų | 55 | 17 Ų | 17 | 29% | 0.294 | 10% | 0.103 | S | C | . | . | trans | 42.5 | 70.5 | 175.8 | -173.6 | 40 | 0 | 0 | 0 | 113.1 | N303 N306 H307 V371 F372 S378 | N303-N374 PolarHBondContact N-O 2.03Å; N303-N374 VanDerWaalsContact N-O 3.11Å; N303-N374 WeakPolarHBondContact O-CB 3.18Å; N306-N374 PolarHBondContact O-ND2 3.22Å; H307-N374 HydrophobicContact CB-CB 4.15Å; V371-N374 PolarHBondContact O-N 3.44Å; F372-N374 PolarHBondContact O-N 3.47Å; N374-S378 WeakPolarHBondContact CA-OG 3.37Å; N374-S378 PolarHBondContact N-OG 3.16Å | ||
| 375 | G | 97 | Very high | 97.6 | Very high | 21 Ų | 21 | 16.3 Ų | 16.3 | 22% | 0.216 | 10% | 0.098 | C | C | . | . | S | Bend | trans | 173.7 | -142.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L301 M377 S378 | L301-G375 CarbonylContact O-C 3.35Å; L301-G375 WeakPolarHBondContact O-CA 3.36Å; G375-M377 VanDerWaalsContact C-N 3.27Å; G375-M377 PolarHBondContact O-N 2.92Å; G375-S378 PolarHBondContact N-OG 2.82Å; G375-S378 WeakPolarHBondContact O-CB 3.34Å; G375-S378 PolarHBondContact O-N 2.75Å |
| 376 | S | 97.8 | Very high | 97.6 | Very high | 13 Ų | 13 | 16.2 Ų | 16.2 | 9% | 0.091 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -55.9 | -40.7 | -178.6 | -61.1 | 0 | 0 | 0 | 0 | 112.4 | L301 S378 N379 S383 | L301-S376 PolarHBondContact N-OG 2.05Å; L301-S376 VanDerWaalsContact N-OG 3.08Å; L301-S376 PolarHBondContact O-N 3.47Å; L301-S376 PolarHBondContact O-OG 3.01Å; S376-S378 PolarHBondContact O-N 3.12Å; S376-S378 VanDerWaalsContact O-N 3.12Å; S376-N379 PolarHBondContact O-N 2.79Å; S376-S383 WeakPolarHBondContact O-CA 3.38Å |
| 377 | M | 97.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -57.9 | -22.2 | 173.9 | -84.5 | -67.8 | -72.9 | 0 | 0 | 114.8 | H370 M373 G375 D386 F389 H392 | H370-M377 WeakPolarHBondContact CB-O 3.19Å; H370-M377 PolarHBondContact ND1-O 2.92Å; H370-M377 CarbonylContact O-C 3.34Å; M373-M377 HydrophobicContact CB-CB 3.54Å; M373-M377 HydrophobicContact CB-CG 4.07Å; M373-M377 HydrophobicContact CG-CB 3.97Å; M373-M377 HydrophobicContact CG-CG 4.03Å; G375-M377 VanDerWaalsContact C-N 3.27Å; G375-M377 PolarHBondContact O-N 2.92Å; M377-D386 HydrophobicContact CG-CB 3.51Å; M377-D386 HydrophobicContact SD-CB 3.92Å; M377-F389 HydrophobicContact SD-CB 3.87Å; M377-F389 HydrophobicContact SD-CD2 4.34Å; M377-H392 HydrophobicContact CE-CB 4.49Å |
| 378 | S | 97.1 | Very high | 97.6 | Very high | 44 Ų | 44 | 15 Ų | 15 | 31% | 0.308 | 9% | 0.092 | S | C | . | . | G | 310 helix | trans | -89.4 | -7.9 | -175.3 | -49.1 | 0 | 0 | 0 | 0 | 113.5 | H370 V371 N374 G375 S376 | H370-S378 WeakPolarHBondContact O-CA 3.2Å; H370-S378 PolarHBondContact O-N 2.83Å; H370-S378 PolarHBondContact O-OG 3.09Å; V371-S378 PolarHBondContact O-OG 2.85Å; N374-S378 WeakPolarHBondContact CA-OG 3.37Å; N374-S378 PolarHBondContact N-OG 3.16Å; G375-S378 PolarHBondContact N-OG 2.82Å; G375-S378 WeakPolarHBondContact O-CB 3.34Å; G375-S378 PolarHBondContact O-N 2.75Å; S376-S378 PolarHBondContact O-N 3.12Å; S376-S378 VanDerWaalsContact O-N 3.12Å |
| 379 | N | 95.4 | Very high | 97.7 | Very high | 46 Ų | 46 | 15 Ų | 15 | 25% | 0.246 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -95 | 117.8 | 170.9 | 178.3 | -51.9 | 0 | 0 | 0 | 107.8 | S280 S376 Q381 G382 S383 | S280-N379 PolarHBondContact O-ND2 3.42Å; S376-N379 PolarHBondContact O-N 2.79Å; N379-Q381 PolarHBondContact O-N 3.18Å; N379-Q381 PolarHBondContact OD1-N 3.16Å; N379-Q381 VanDerWaalsContact OD1-N 3.15Å; N379-G382 CarbonylContact O-C 3.55Å; N379-G382 PolarHBondContact O-N 3.31Å; N379-G382 PolarHBondContact OD1-N 3.16Å; N379-S383 VanDerWaalsContact O-CA 3.27Å; N379-S383 WeakPolarHBondContact O-CA 3.27Å; N379-S383 WeakPolarHBondContact O-CB 3.37Å; N379-S383 PolarHBondContact O-N 3.04Å |
| 380 | V | 95.9 | Very high | 97.7 | Very high | 77 Ų | 77 | 15 Ų | 15 | 47% | 0.467 | 9% | 0.092 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -59.7 | -176.5 | 177.5 | 0 | 0 | 0 | 0 | 110.4 | H182 G382 S383 | H182-V380 PolarHBondContact CE1-O 3.28Å; H182-V380 PolarHBondContact ND1-O 3.27Å; H182-V380 VanDerWaalsContact ND1-O 3.11Å; V380-G382 VanDerWaalsContact C-N 3.3Å; V380-G382 PolarHBondContact O-N 2.8Å; V380-S383 WeakPolarHBondContact O-CB 3.29Å; V380-S383 PolarHBondContact O-N 2.74Å; V380-S383 PolarHBondContact O-OG 2.94Å |
| 381 | Q | 94.9 | Very high | 97.7 | Very high | 14 Ų | 14 | 14.3 Ų | 14.3 | 7% | 0.065 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -37.6 | -178.6 | -72.5 | 172.9 | 11.3 | 0 | 0 | 114.2 | Y183 S186 N379 | Y183-Q381 HydrophobicContact CD2-CB 4.05Å; Y183-Q381 HydrophobicContact CD2-CG 4.22Å; S186-Q381 PolarHBondContact O-NE2 2.03Å; S186-Q381 VanDerWaalsContact O-NE2 3.08Å; N379-Q381 PolarHBondContact O-N 3.18Å; N379-Q381 PolarHBondContact OD1-N 3.16Å; N379-Q381 VanDerWaalsContact OD1-N 3.15Å |
| 382 | G | 95.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.01 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -0.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | N379 V380 A384 N385 | N379-G382 CarbonylContact O-C 3.55Å; N379-G382 PolarHBondContact O-N 3.31Å; N379-G382 PolarHBondContact OD1-N 3.16Å; V380-G382 VanDerWaalsContact C-N 3.3Å; V380-G382 PolarHBondContact O-N 2.8Å; G382-A384 VanDerWaalsContact C-N 3.32Å; G382-A384 PolarHBondContact O-N 3.42Å; G382-N385 VanDerWaalsContact O-CB 3.3Å; G382-N385 WeakPolarHBondContact O-CB 3.2Å; G382-N385 PolarHBondContact O-N 3.06Å; G382-N385 VanDerWaalsContact O-N 3.11Å; G382-N385 PolarHBondContact O-ND2 3.48Å |
| 383 | S | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.007 | 8% | 0.083 | C | C | . | . | G | 310 helix | trans | -62.5 | -38 | -166.9 | 57.1 | 0 | 0 | 0 | 0 | 113.1 | H182 S376 N379 V380 N385 D386 F389 | H182-S383 PolarHBondContact CE1-OG 3.06Å; S376-S383 WeakPolarHBondContact O-CA 3.38Å; N379-S383 VanDerWaalsContact O-CA 3.27Å; N379-S383 WeakPolarHBondContact O-CA 3.27Å; N379-S383 WeakPolarHBondContact O-CB 3.37Å; N379-S383 PolarHBondContact O-N 3.04Å; V380-S383 WeakPolarHBondContact O-CB 3.29Å; V380-S383 PolarHBondContact O-N 2.74Å; V380-S383 PolarHBondContact O-OG 2.94Å; S383-N385 PolarHBondContact O-N 3.31Å; S383-N385 VanDerWaalsContact O-N 3.1Å; S383-D386 PolarHBondContact O-N 2.84Å; S383-D386 VanDerWaalsContact O-N 3.12Å; S383-F389 WeakPolarHBondContact OG-CE2 3.43Å |
| 384 | A | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | G | 310 helix | trans | -63.7 | -13.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y175 V179 H182 W221 G382 D386 F389 | Y175-A384 VanDerWaalsContact CE1-O 3.27Å; Y175-A384 WeakPolarHBondContact CE1-O 3.19Å; Y175-A384 PolarHBondContact OH-O 3.38Å; V179-A384 HydrophobicContact CG2-CB 4.24Å; H182-A384 HydrophobicContact CB-CB 4.16Å; W221-A384 HydrophobicContact CH2-CB 4.36Å; W221-A384 HydrophobicContact CZ3-CB 4.38Å; G382-A384 VanDerWaalsContact C-N 3.32Å; G382-A384 PolarHBondContact O-N 3.42Å; A384-D386 PolarHBondContact O-N 3.19Å; A384-F389 HydrophobicContact CB-CD1 4.34Å; A384-F389 HydrophobicContact CB-CD2 4.03Å; A384-F389 HydrophobicContact CB-CE2 4.16Å; A384-F389 HydrophobicContact CB-CG 4.12Å; A384-F389 HydrophobicContact CB-CZ 4.4Å |
| 385 | N | 98.7 | Very high | 97.9 | Very high | 3 Ų | 3 | 10.6 Ų | 10.6 | 2% | 0.016 | 7% | 0.069 | C | C | . | . | G | 310 helix | trans | -59.8 | -29.8 | 171.8 | -77.5 | -79.7 | 0 | 0 | 0 | 112.4 | V179 V277 I278 L300 G382 S383 | V179-N385 VanDerWaalsContact CG1-ND2 3.29Å; V179-N385 WeakPolarHBondContact CG1-ND2 3.45Å; V277-N385 WeakPolarHBondContact CA-OD1 3.48Å; V277-N385 HydrophobicContact CB-CB 4.12Å; V277-N385 HydrophobicContact CG1-CB 3.86Å; I278-N385 PolarHBondContact N-OD1 3.21Å; I278-N385 PolarHBondContact O-ND2 2.98Å; L300-N385 HydrophobicContact CD1-CB 4.23Å; G382-N385 VanDerWaalsContact O-CB 3.3Å; G382-N385 WeakPolarHBondContact O-CB 3.2Å; G382-N385 PolarHBondContact O-N 3.06Å; G382-N385 VanDerWaalsContact O-N 3.11Å; G382-N385 PolarHBondContact O-ND2 3.48Å; S383-N385 PolarHBondContact O-N 3.31Å; S383-N385 VanDerWaalsContact O-N 3.1Å |
| 386 | D | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 6% | 0.059 | C | C | . | . | S | Bend | trans | -85.3 | 124.4 | 178.4 | -168 | -44.8 | 0 | 0 | 0 | 110.4 | L300 R302 M377 S383 A384 I388 F389 | L300-D386 HydrophobicContact CD1-CB 3.85Å; L300-D386 HydrophobicContact CD2-CB 4.49Å; R302-D386 IonicContact CZ-OD1 2.74Å; R302-D386 IonicContact CZ-OD2 3.69Å; R302-D386 IonicContact NE-OD1 2.66Å; R302-D386 IonicContact NE-OD2 2.68Å; R302-D386 PolarHBondContact NE-OD2 3.37Å; R302-D386 IonicContact NH2-OD1 2.75Å; R302-D386 PolarHBondContact NH2-OD1 3.26Å; R302-D386 IonicContact NH2-OD2 3.42Å; R302-D386 PolarHBondContact NH2-OD2 3.04Å; R302-D386 VanDerWaalsContact NH2-OD2 3.11Å; M377-D386 HydrophobicContact CG-CB 3.51Å; M377-D386 HydrophobicContact SD-CB 3.92Å; S383-D386 PolarHBondContact O-N 2.84Å; S383-D386 VanDerWaalsContact O-N 3.12Å; A384-D386 PolarHBondContact O-N 3.19Å; D386-I388 PolarHBondContact O-N 3.34Å; D386-I388 VanDerWaalsContact O-N 3.07Å; D386-I388 VanDerWaalsContact OD1-CB 3.3Å; D386-I388 WeakPolarHBondContact OD1-CB 3.27Å; D386-I388 WeakPolarHBondContact OD1-CG1 3.43Å; D386-I388 PolarHBondContact OD1-N 3.5Å; D386-F389 WeakPolarHBondContact O-CB 3.47Å; D386-F389 PolarHBondContact O-N 3.11Å |
| 387 | P | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15.2 | -179.2 | 28.9 | -38.6 | 0 | 0 | 0 | 114.3 | L139 Y175 M255 F272 F389 L390 | L139-P387 HydrophobicContact CD1-CB 3.67Å; Y175-P387 VanDerWaalsContact OH-CA 3.28Å; Y175-P387 WeakPolarHBondContact OH-CA 3.41Å; M255-P387 HydrophobicContact SD-CB 4.21Å; M255-P387 HydrophobicContact SD-CG 4.34Å; F272-P387 HydrophobicContact CD1-CB 4.42Å; F272-P387 HydrophobicContact CD1-CG 3.74Å; F272-P387 HydrophobicContact CD2-CG 4.13Å; F272-P387 HydrophobicContact CE1-CB 3.95Å; F272-P387 HydrophobicContact CE1-CG 3.73Å; F272-P387 HydrophobicContact CE2-CG 4.12Å; F272-P387 HydrophobicContact CG-CG 3.96Å; F272-P387 HydrophobicContact CZ-CB 4.09Å; F272-P387 HydrophobicContact CZ-CG 3.92Å; P387-F389 PolarHBondContact O-N 3.44Å; P387-L390 PolarHBondContact O-N 3.35Å |
| 388 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -63.4 | -25.7 | 171.3 | -66.5 | 179.4 | 0 | 0 | 0 | 111.1 | W239 V249 M255 M373 D386 L390 L391 H392 | W239-I388 HydrophobicContact CE3-CG2 4.24Å; W239-I388 HydrophobicContact CZ3-CG2 4.16Å; V249-I388 HydrophobicContact CG2-CD1 3.98Å; V249-I388 HydrophobicContact CG2-CG1 4.15Å; M255-I388 HydrophobicContact CB-CD1 4.11Å; M255-I388 HydrophobicContact CB-CG1 3.71Å; M255-I388 HydrophobicContact CG-CG1 3.85Å; M373-I388 HydrophobicContact CE-CD1 4.22Å; M373-I388 HydrophobicContact CE-CG2 4.04Å; M373-I388 HydrophobicContact SD-CD1 4Å; D386-I388 PolarHBondContact O-N 3.34Å; D386-I388 VanDerWaalsContact O-N 3.07Å; D386-I388 VanDerWaalsContact OD1-CB 3.3Å; D386-I388 WeakPolarHBondContact OD1-CB 3.27Å; D386-I388 WeakPolarHBondContact OD1-CG1 3.43Å; D386-I388 PolarHBondContact OD1-N 3.5Å; I388-L390 VanDerWaalsContact C-N 3.26Å; I388-L390 PolarHBondContact O-N 3.1Å; I388-L391 PolarHBondContact O-N 3.31Å; I388-L391 VanDerWaalsContact O-N 3.13Å; I388-H392 WeakPolarHBondContact O-CB 3.49Å; I388-H392 PolarHBondContact O-N 3.17Å |
| 389 | F | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -49.4 | -48 | 175.1 | -176 | -78.4 | 0 | 0 | 0 | 111.6 | H182 F217 W221 H370 M377 S383 A384 D386 P387 L391 H392 H393 | H182-F389 AromaticContact CD2-CZ 3.77Å; H182-F389 AromaticContact NE2-CE2 3.84Å; H182-F389 AromaticContact NE2-CZ 3.84Å; F217-F389 HydrophobicContact CD1-CE1 4.05Å; F217-F389 HydrophobicContact CE1-CD1 4.27Å; F217-F389 AromaticContact CE1-CE1 3.44Å; F217-F389 HydrophobicContact CE1-CE1 3.44Å; F217-F389 VanDerWaalsContact CE1-CE1 3.44Å; F217-F389 HydrophobicContact CE1-CZ 4.04Å; F217-F389 HydrophobicContact CZ-CE1 4.41Å; W221-F389 HydrophobicContact CZ3-CD1 4.31Å; H370-F389 AromaticContact CE1-CD2 3.9Å; M377-F389 HydrophobicContact SD-CB 3.87Å; M377-F389 HydrophobicContact SD-CD2 4.34Å; S383-F389 WeakPolarHBondContact OG-CE2 3.43Å; A384-F389 HydrophobicContact CB-CD1 4.34Å; A384-F389 HydrophobicContact CB-CD2 4.03Å; A384-F389 HydrophobicContact CB-CE2 4.16Å; A384-F389 HydrophobicContact CB-CG 4.12Å; A384-F389 HydrophobicContact CB-CZ 4.4Å; D386-F389 WeakPolarHBondContact O-CB 3.47Å; D386-F389 PolarHBondContact O-N 3.11Å; P387-F389 PolarHBondContact O-N 3.44Å; F389-L391 PolarHBondContact O-N 3.09Å; F389-H392 PolarHBondContact O-N 2.85Å; F389-H393 AromaticContact CD1-CD2 3.6Å; F389-H393 AromaticContact CD2-CD2 3.71Å; F389-H393 AromaticContact CD2-NE2 3.74Å; F389-H393 HydrophobicContact CE1-CB 4.25Å; F389-H393 AromaticContact CE1-CD2 3.28Å; F389-H393 WeakPolarHBondContact CE1-CD2 3.31Å; F389-H393 AromaticContact CE1-CG 3.75Å; F389-H393 AromaticContact CE1-NE2 3.75Å; F389-H393 AromaticContact CE2-CD2 3.48Å; F389-H393 VanDerWaalsContact CE2-CD2 3.48Å; F389-H393 WeakPolarHBondContact CE2-CD2 3.43Å; F389-H393 AromaticContact CE2-NE2 3.16Å; F389-H393 WeakPolarHBondContact CE2-NE2 3.3Å; F389-H393 AromaticContact CG-CD2 3.78Å; F389-H393 AromaticContact CZ-CD2 3.25Å; F389-H393 WeakPolarHBondContact CZ-CD2 3.17Å; F389-H393 AromaticContact CZ-CE1 3.79Å; F389-H393 AromaticContact CZ-CG 3.91Å; F389-H393 AromaticContact CZ-NE2 3.17Å; F389-H393 WeakPolarHBondContact CZ-NE2 3.4Å; F389-H393 PolarHBondContact O-CD2 3.11Å; F389-H393 PolarHBondContact O-N 3.2Å |
| 390 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -60.6 | -46 | -179.4 | -75.3 | 176.1 | 0 | 0 | 0 | 112.2 | F135 L139 Y175 L218 W221 I236 P387 I388 H392 A394 | F135-L390 HydrophobicContact CZ-CD1 4.3Å; L139-L390 HydrophobicContact CD1-CD1 4.21Å; L139-L390 HydrophobicContact CD2-CD1 3.55Å; Y175-L390 HydrophobicContact CE2-CD1 4.39Å; L218-L390 HydrophobicContact CD2-CD2 3.77Å; W221-L390 HydrophobicContact CD2-CD2 3.66Å; W221-L390 HydrophobicContact CD2-CG 4.49Å; W221-L390 HydrophobicContact CE3-CD2 3.39Å; W221-L390 HydrophobicContact CE3-CG 4.31Å; W221-L390 HydrophobicContact CG-CD2 4.25Å; W221-L390 HydrophobicContact CH2-CD2 4.32Å; W221-L390 HydrophobicContact CH2-CG 4.4Å; W221-L390 HydrophobicContact CZ2-CD1 4.37Å; W221-L390 HydrophobicContact CZ3-CD2 3.75Å; W221-L390 HydrophobicContact CZ3-CG 4.24Å; I236-L390 HydrophobicContact CD1-CD2 3.78Å; I236-L390 HydrophobicContact CG2-CB 3.96Å; I236-L390 HydrophobicContact CG2-CD2 4.36Å; P387-L390 PolarHBondContact O-N 3.35Å; I388-L390 VanDerWaalsContact C-N 3.26Å; I388-L390 PolarHBondContact O-N 3.1Å; L390-H392 VanDerWaalsContact C-N 3.32Å; L390-H392 PolarHBondContact O-N 3.24Å; L390-A394 WeakPolarHBondContact O-CB 3.13Å; L390-A394 PolarHBondContact O-N 2.83Å |
| 391 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 1.4 Ų | 1.4 | 0% | 0 | 1% | 0.007 | C | C | . | . | H | α-helix | trans | -64.9 | -39.8 | 178.8 | -57 | -176.1 | 0 | 0 | 0 | 111.8 | I124 F135 P237 W239 V249 M255 I388 F389 F395 | I124-L391 HydrophobicContact CB-CD2 4.37Å; I124-L391 HydrophobicContact CD1-CD1 4.06Å; I124-L391 HydrophobicContact CD1-CD2 3.85Å; I124-L391 HydrophobicContact CG2-CD1 4.13Å; I124-L391 HydrophobicContact CG2-CD2 4.43Å; F135-L391 HydrophobicContact CE1-CD2 4.01Å; F135-L391 HydrophobicContact CZ-CD2 4.13Å; P237-L391 HydrophobicContact CB-CD2 4.43Å; P237-L391 HydrophobicContact CG-CD2 3.74Å; P237-L391 WeakPolarHBondContact O-CD2 3.02Å; W239-L391 HydrophobicContact CB-CB 3.83Å; W239-L391 HydrophobicContact CB-CD1 4.19Å; W239-L391 PolarHBondContact N-O 3.45Å; W239-L391 VanDerWaalsContact N-O 3.15Å; V249-L391 HydrophobicContact CB-CD1 4.27Å; V249-L391 HydrophobicContact CG1-CD1 4.08Å; V249-L391 HydrophobicContact CG2-CD1 4.28Å; M255-L391 HydrophobicContact CE-CD1 3.76Å; M255-L391 HydrophobicContact CE-CD2 4.4Å; M255-L391 HydrophobicContact CE-CG 4.36Å; M255-L391 HydrophobicContact CG-CD1 3.81Å; M255-L391 HydrophobicContact SD-CD1 4.11Å; I388-L391 PolarHBondContact O-N 3.31Å; I388-L391 VanDerWaalsContact O-N 3.13Å; F389-L391 PolarHBondContact O-N 3.09Å; L391-F395 PolarHBondContact O-N 3.29Å |
| 392 | H | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 3.9 Ų | 3.9 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -66.3 | -55.8 | -179.6 | 177.9 | 54 | 0 | 0 | 0 | 111.4 | W241 H366 L369 H370 M377 I388 F389 L390 A394 F395 I396 | W241-H392 AromaticContact CD1-ND1 3.76Å; W241-H392 AromaticContact CE2-ND1 3.98Å; W241-H392 AromaticContact NE1-CE1 3.6Å; W241-H392 AromaticContact NE1-ND1 3.11Å; W241-H392 PolarHBondContact NE1-ND1 2.73Å; W241-H392 VanDerWaalsContact NE1-ND1 3.11Å; H366-H392 AromaticContact CD2-CD2 3.65Å; H366-H392 AromaticContact CD2-NE2 3.05Å; H366-H392 PolarHBondContact CD2-NE2 2.85Å; H366-H392 AromaticContact CG-NE2 3.61Å; H366-H392 AromaticContact NE2-NE2 3.95Å; H366-H392 PolarHBondContact O-NE2 2.8Å; L369-H392 HydrophobicContact CD2-CB 3.87Å; L369-H392 WeakPolarHBondContact CD2-ND1 3.4Å; H370-H392 AromaticContact CD2-CD2 3.64Å; H370-H392 AromaticContact CD2-NE2 3.57Å; H370-H392 AromaticContact NE2-CD2 3.32Å; H370-H392 PolarHBondContact NE2-CD2 3.15Å; H370-H392 VanDerWaalsContact NE2-CD2 3.32Å; H370-H392 AromaticContact NE2-NE2 3.71Å; M377-H392 HydrophobicContact CE-CB 4.49Å; I388-H392 WeakPolarHBondContact O-CB 3.49Å; I388-H392 PolarHBondContact O-N 3.17Å; F389-H392 PolarHBondContact O-N 2.85Å; L390-H392 VanDerWaalsContact C-N 3.32Å; L390-H392 PolarHBondContact O-N 3.24Å; H392-A394 VanDerWaalsContact C-N 3.3Å; H392-A394 PolarHBondContact O-N 2.71Å; H392-F395 WeakPolarHBondContact O-CA 3.42Å; H392-F395 WeakPolarHBondContact O-CB 3.45Å; H392-F395 PolarHBondContact O-N 3.47Å; H392-I396 PolarHBondContact O-N 2.91Å |
| 393 | H | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 3.8 Ų | 3.8 | 1% | 0.009 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -67.8 | -31.1 | -178.2 | -79.3 | -90.1 | 0 | 0 | 0 | 112.2 | H214 L218 H366 H370 F389 F395 I396 D397 | H214-H393 AromaticContact CD2-CE1 3.23Å; H214-H393 PolarHBondContact CD2-CE1 3.33Å; H214-H393 AromaticContact CD2-ND1 3.16Å; H214-H393 PolarHBondContact CD2-ND1 2.82Å; H214-H393 AromaticContact CG-CE1 3.9Å; H214-H393 AromaticContact CG-ND1 3.57Å; H214-H393 AromaticContact NE2-CE1 3.41Å; H214-H393 PolarHBondContact NE2-CE1 3.26Å; H214-H393 AromaticContact NE2-ND1 3.84Å; L218-H393 HydrophobicContact CD1-CB 4.11Å; L218-H393 HydrophobicContact CD2-CB 4.28Å; L218-H393 HydrophobicContact CG-CB 4.47Å; H366-H393 AromaticContact CD2-CE1 3.66Å; H366-H393 AromaticContact NE2-CE1 3.04Å; H366-H393 PolarHBondContact NE2-CE1 3.23Å; H366-H393 AromaticContact NE2-ND1 3.98Å; H366-H393 AromaticContact NE2-NE2 3.39Å; H366-H393 PolarHBondContact NE2-NE2 3.02Å; H370-H393 AromaticContact CE1-NE2 3.74Å; H370-H393 AromaticContact NE2-NE2 3.28Å; H370-H393 PolarHBondContact NE2-NE2 3.11Å; F389-H393 AromaticContact CD1-CD2 3.6Å; F389-H393 AromaticContact CD2-CD2 3.71Å; F389-H393 AromaticContact CD2-NE2 3.74Å; F389-H393 HydrophobicContact CE1-CB 4.25Å; F389-H393 AromaticContact CE1-CD2 3.28Å; F389-H393 WeakPolarHBondContact CE1-CD2 3.31Å; F389-H393 AromaticContact CE1-CG 3.75Å; F389-H393 AromaticContact CE1-NE2 3.75Å; F389-H393 AromaticContact CE2-CD2 3.48Å; F389-H393 VanDerWaalsContact CE2-CD2 3.48Å; F389-H393 WeakPolarHBondContact CE2-CD2 3.43Å; F389-H393 AromaticContact CE2-NE2 3.16Å; F389-H393 WeakPolarHBondContact CE2-NE2 3.3Å; F389-H393 AromaticContact CG-CD2 3.78Å; F389-H393 AromaticContact CZ-CD2 3.25Å; F389-H393 WeakPolarHBondContact CZ-CD2 3.17Å; F389-H393 AromaticContact CZ-CE1 3.79Å; F389-H393 AromaticContact CZ-CG 3.91Å; F389-H393 AromaticContact CZ-NE2 3.17Å; F389-H393 WeakPolarHBondContact CZ-NE2 3.4Å; F389-H393 PolarHBondContact O-CD2 3.11Å; F389-H393 PolarHBondContact O-N 3.2Å; H393-F395 VanDerWaalsContact C-N 3.25Å; H393-F395 PolarHBondContact O-N 2.99Å; H393-I396 PolarHBondContact O-N 2.83Å; H393-D397 WeakPolarHBondContact O-CB 3.3Å; H393-D397 PolarHBondContact O-N 2.84Å |
| 394 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -62.1 | -34.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L218 I236 P237 L390 H392 S398 Y452 | L218-A394 HydrophobicContact CD1-CB 4.43Å; I236-A394 HydrophobicContact CG2-CB 4.21Å; P237-A394 WeakPolarHBondContact O-CB 3.34Å; L390-A394 WeakPolarHBondContact O-CB 3.13Å; L390-A394 PolarHBondContact O-N 2.83Å; H392-A394 VanDerWaalsContact C-N 3.3Å; H392-A394 PolarHBondContact O-N 2.71Å; A394-S398 PolarHBondContact O-N 3.13Å; A394-Y452 WeakPolarHBondContact O-CE1 3.36Å; A394-Y452 PolarHBondContact O-OH 3.45Å |
| 395 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -73.6 | -39.8 | 174.4 | -169 | -115.7 | 0 | 0 | 0 | 112.6 | Y238 W239 D240 W241 R242 L391 H392 H393 D397 S398 I399 Y454 | Y238-F395 AromaticContact CD2-CD2 3.57Å; Y238-F395 HydrophobicContact CD2-CD2 3.57Å; Y238-F395 HydrophobicContact CD2-CE2 4.26Å; Y238-F395 HydrophobicContact CD2-CG 4.47Å; Y238-F395 HydrophobicContact CE2-CD2 4.15Å; Y238-F395 HydrophobicContact CE2-CE2 4.42Å; Y238-F395 HydrophobicContact CG-CD2 4.33Å; W239-F395 WeakPolarHBondContact O-CB 3.38Å; W239-F395 WeakPolarHBondContact O-CG 3.27Å; D240-F395 HydrophobicContact CB-CD2 4.26Å; D240-F395 HydrophobicContact CB-CE2 3.81Å; D240-F395 HydrophobicContact CB-CZ 4.17Å; D240-F395 WeakPolarHBondContact OD1-CZ 3.45Å; W241-F395 AromaticContact CD1-CD1 3.86Å; W241-F395 HydrophobicContact CD2-CD1 4.06Å; W241-F395 HydrophobicContact CD2-CE1 4.13Å; W241-F395 AromaticContact CE2-CD1 3.47Å; W241-F395 VanDerWaalsContact CE2-CD1 3.47Å; W241-F395 AromaticContact CE2-CE1 3.87Å; W241-F395 HydrophobicContact CE3-CE1 4.43Å; W241-F395 HydrophobicContact CG-CD1 4.32Å; W241-F395 HydrophobicContact CH2-CD1 4.47Å; W241-F395 HydrophobicContact CH2-CE1 4.26Å; W241-F395 AromaticContact CZ2-CD1 3.76Å; W241-F395 HydrophobicContact CZ2-CD1 3.76Å; W241-F395 AromaticContact CZ2-CE1 3.99Å; W241-F395 HydrophobicContact CZ2-CE1 3.99Å; W241-F395 HydrophobicContact CZ3-CE1 4.42Å; W241-F395 AromaticContact NE1-CD1 3.35Å; R242-F395 HydrophobicContact CG-CE1 3.88Å; R242-F395 HydrophobicContact CG-CZ 3.79Å; L391-F395 PolarHBondContact O-N 3.29Å; H392-F395 WeakPolarHBondContact O-CA 3.42Å; H392-F395 WeakPolarHBondContact O-CB 3.45Å; H392-F395 PolarHBondContact O-N 3.47Å; H393-F395 VanDerWaalsContact C-N 3.25Å; H393-F395 PolarHBondContact O-N 2.99Å; F395-D397 VanDerWaalsContact C-N 3.34Å; F395-D397 PolarHBondContact O-N 3.33Å; F395-S398 WeakPolarHBondContact CD2-OG 3.36Å; F395-S398 WeakPolarHBondContact O-CB 3.38Å; F395-S398 PolarHBondContact O-N 2.95Å; F395-S398 VanDerWaalsContact O-N 3.09Å; F395-S398 PolarHBondContact O-OG 3.48Å; F395-I399 HydrophobicContact CD1-CD1 4Å; F395-I399 HydrophobicContact CE1-CD1 3.78Å; F395-I399 HydrophobicContact CE1-CG1 4.36Å; F395-I399 HydrophobicContact CZ-CD1 4.38Å; F395-I399 PolarHBondContact O-N 3.11Å; F395-I399 VanDerWaalsContact O-N 3.11Å; F395-Y454 HydrophobicContact CE2-CE1 4.47Å |
| 396 | I | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 11.6 Ų | 11.6 | 2% | 0.015 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -58.1 | -45.8 | 173.1 | -65 | -58.6 | 0 | 0 | 0 | 111.4 | F210 L211 W241 L347 H366 H392 H393 S398 I399 F400 | F210-I396 HydrophobicContact CE1-CG2 4.1Å; F210-I396 HydrophobicContact CZ-CG2 4.12Å; L211-I396 HydrophobicContact CD2-CG2 3.66Å; W241-I396 HydrophobicContact CZ2-CD1 3.82Å; L347-I396 HydrophobicContact CD1-CD1 4.04Å; L347-I396 HydrophobicContact CD2-CG2 4.3Å; L347-I396 HydrophobicContact CG-CG2 4.37Å; H366-I396 HydrophobicContact CB-CD1 3.68Å; H366-I396 HydrophobicContact CB-CG1 4.12Å; H392-I396 PolarHBondContact O-N 2.91Å; H393-I396 PolarHBondContact O-N 2.83Å; I396-S398 PolarHBondContact O-N 3.33Å; I396-I399 HydrophobicContact CD1-CD1 4.48Å; I396-I399 WeakPolarHBondContact O-CB 3.25Å; I396-I399 PolarHBondContact O-N 3.16Å; I396-F400 PolarHBondContact O-N 3.3Å |
| 397 | D | 98.9 | Very high | 98.4 | Very high | 6 Ų | 6 | 14.3 Ų | 14.3 | 3% | 0.032 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -60.6 | -33.7 | 175.5 | -179.1 | 59.1 | 0 | 0 | 0 | 112.6 | R121 R215 L218 H393 F395 I399 F400 E401 N445 Y450 Y452 | R121-D397 IonicContact NH1-OD2 3.42Å; R215-D397 IonicContact CZ-OD1 2.79Å; R215-D397 IonicContact NE-OD1 3.1Å; R215-D397 PolarHBondContact NE-OD1 2.91Å; R215-D397 IonicContact NH2-OD1 3.77Å; R215-D397 PolarHBondContact NH2-OD1 3.17Å; L218-D397 HydrophobicContact CD1-CB 4.24Å; H393-D397 WeakPolarHBondContact O-CB 3.3Å; H393-D397 PolarHBondContact O-N 2.84Å; F395-D397 VanDerWaalsContact C-N 3.34Å; F395-D397 PolarHBondContact O-N 3.33Å; D397-I399 VanDerWaalsContact C-N 3.35Å; D397-F400 WeakPolarHBondContact O-CB 3.44Å; D397-F400 PolarHBondContact O-N 3.48Å; D397-E401 PolarHBondContact O-N 3.19Å; D397-N445 PolarHBondContact OD2-ND2 3.38Å; D397-Y450 WeakPolarHBondContact OD2-CE2 3.45Å; D397-Y450 PolarHBondContact OD2-OH 3.45Å; D397-Y452 WeakPolarHBondContact CB-OH 3.31Å; D397-Y452 WeakPolarHBondContact OD2-CE2 3.29Å; D397-Y452 PolarHBondContact OD2-OH 2.91Å |
| 398 | S | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67.6 | -34.3 | 174.6 | 86.6 | 0 | 0 | 0 | 0 | 112.9 | A394 F395 I396 E401 R402 Y452 Y454 | A394-S398 PolarHBondContact O-N 3.13Å; F395-S398 WeakPolarHBondContact CD2-OG 3.36Å; F395-S398 WeakPolarHBondContact O-CB 3.38Å; F395-S398 PolarHBondContact O-N 2.95Å; F395-S398 VanDerWaalsContact O-N 3.09Å; F395-S398 PolarHBondContact O-OG 3.48Å; I396-S398 PolarHBondContact O-N 3.33Å; S398-E401 PolarHBondContact O-N 2.86Å; S398-R402 PolarHBondContact O-N 3.27Å; S398-Y452 VanDerWaalsContact CA-CE2 3.45Å; S398-Y452 VanDerWaalsContact CB-CD2 3.48Å; S398-Y454 WeakPolarHBondContact CB-OH 3.4Å; S398-Y454 WeakPolarHBondContact OG-CE1 3.44Å; S398-Y454 PolarHBondContact OG-OH 3.36Å |
| 399 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -70.7 | -38.9 | 175.3 | -62 | 167.6 | 0 | 0 | 0 | 109.7 | W241 V321 V325 L347 F395 I396 D397 R402 W403 | W241-I399 HydrophobicContact CH2-CD1 4.42Å; W241-I399 HydrophobicContact CZ2-CD1 4.41Å; V321-I399 HydrophobicContact CG1-CD1 4.01Å; V321-I399 HydrophobicContact CG1-CG1 3.99Å; V321-I399 HydrophobicContact CG1-CG2 4.03Å; V321-I399 HydrophobicContact CG2-CD1 3.98Å; V325-I399 HydrophobicContact CG2-CG2 3.65Å; L347-I399 HydrophobicContact CD1-CB 4.16Å; L347-I399 HydrophobicContact CD1-CD1 3.96Å; L347-I399 HydrophobicContact CD1-CG2 3.77Å; L347-I399 HydrophobicContact CD2-CB 4.17Å; L347-I399 HydrophobicContact CD2-CG2 3.89Å; F395-I399 HydrophobicContact CD1-CD1 4Å; F395-I399 HydrophobicContact CE1-CD1 3.78Å; F395-I399 HydrophobicContact CE1-CG1 4.36Å; F395-I399 HydrophobicContact CZ-CD1 4.38Å; F395-I399 PolarHBondContact O-N 3.11Å; F395-I399 VanDerWaalsContact O-N 3.11Å; I396-I399 HydrophobicContact CD1-CD1 4.48Å; I396-I399 WeakPolarHBondContact O-CB 3.25Å; I396-I399 PolarHBondContact O-N 3.16Å; D397-I399 VanDerWaalsContact C-N 3.35Å; I399-R402 WeakPolarHBondContact O-CB 3.37Å; I399-R402 PolarHBondContact O-N 2.8Å; I399-W403 PolarHBondContact O-N 3.27Å |
| 400 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.7 | -45.5 | 172.5 | 179.1 | -149 | 0 | 0 | 0 | 111.9 | L211 R215 Y330 F343 I396 D397 R402 W403 L404 F442 | L211-F400 HydrophobicContact CB-CB 4.39Å; L211-F400 HydrophobicContact CB-CD1 3.55Å; L211-F400 HydrophobicContact CB-CD2 4.34Å; L211-F400 HydrophobicContact CB-CE1 3.84Å; L211-F400 HydrophobicContact CB-CG 3.85Å; L211-F400 HydrophobicContact CB-CZ 4.36Å; L211-F400 HydrophobicContact CD1-CB 4.07Å; L211-F400 HydrophobicContact CD1-CD1 4.41Å; L211-F400 HydrophobicContact CD1-CD2 3.78Å; L211-F400 HydrophobicContact CD1-CE2 4.34Å; L211-F400 HydrophobicContact CD1-CG 3.84Å; L211-F400 HydrophobicContact CD2-CB 4.26Å; L211-F400 HydrophobicContact CG-CB 4.48Å; L211-F400 HydrophobicContact CG-CD1 4.46Å; L211-F400 HydrophobicContact CG-CG 4.3Å; R215-F400 VanDerWaalsContact CZ-CE1 3.4Å; Y330-F400 HydrophobicContact CE2-CE2 4.09Å; F343-F400 AromaticContact CE1-CD2 3.91Å; F343-F400 HydrophobicContact CE1-CD2 3.91Å; I396-F400 PolarHBondContact O-N 3.3Å; D397-F400 WeakPolarHBondContact O-CB 3.44Å; D397-F400 PolarHBondContact O-N 3.48Å; F400-R402 VanDerWaalsContact C-N 3.32Å; F400-R402 PolarHBondContact O-N 3.03Å; F400-W403 HydrophobicContact CD2-CE3 4.23Å; F400-W403 HydrophobicContact CE2-CE3 4.07Å; F400-W403 HydrophobicContact CE2-CZ3 4.32Å; F400-W403 WeakPolarHBondContact O-CB 3.17Å; F400-W403 PolarHBondContact O-N 2.81Å; F400-W403 VanDerWaalsContact O-N 3.16Å; F400-L404 HydrophobicContact CD1-CD1 4.49Å; F400-L404 HydrophobicContact CD2-CD1 4.12Å; F400-L404 HydrophobicContact CD2-CG 3.97Å; F400-L404 HydrophobicContact CE1-CD1 4.13Å; F400-L404 HydrophobicContact CE2-CD1 3.75Å; F400-L404 HydrophobicContact CE2-CD2 3.77Å; F400-L404 HydrophobicContact CE2-CG 3.59Å; F400-L404 HydrophobicContact CG-CD1 4.47Å; F400-L404 HydrophobicContact CZ-CD1 3.73Å; F400-L404 HydrophobicContact CZ-CD2 4.13Å; F400-L404 HydrophobicContact CZ-CG 4.07Å; F400-L404 WeakPolarHBondContact O-CG 3.33Å; F400-L404 PolarHBondContact O-N 2.94Å; F400-F442 HydrophobicContact CE2-CD2 4.09Å; F400-F442 AromaticContact CE2-CE2 3.77Å; F400-F442 HydrophobicContact CE2-CE2 3.77Å; F400-F442 AromaticContact CZ-CD2 3.61Å; F400-F442 HydrophobicContact CZ-CD2 3.61Å; F400-F442 AromaticContact CZ-CE2 3.81Å; F400-F442 HydrophobicContact CZ-CE2 3.81Å |
| 401 | E | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.7 | -41.5 | 173.9 | 178.4 | 57.5 | -160.4 | 0 | 0 | 112.4 | D397 S398 W403 L404 R405 S444 N445 L455 | D397-E401 PolarHBondContact O-N 3.19Å; S398-E401 PolarHBondContact O-N 2.86Å; E401-W403 VanDerWaalsContact C-N 3.31Å; E401-W403 PolarHBondContact O-N 2.75Å; E401-L404 PolarHBondContact O-N 3.24Å; E401-R405 WeakPolarHBondContact O-CG 3.33Å; E401-R405 PolarHBondContact O-N 3.42Å; E401-R405 IonicContact OE1-CZ 3.1Å; E401-R405 VanDerWaalsContact OE1-CZ 3.26Å; E401-R405 IonicContact OE1-NE 2.61Å; E401-R405 PolarHBondContact OE1-NE 3.34Å; E401-R405 IonicContact OE1-NH2 3.16Å; E401-R405 PolarHBondContact OE1-NH2 2.85Å; E401-S444 PolarHBondContact OE1-OG 3.24Å; E401-S444 VanDerWaalsContact OE2-CA 3.26Å; E401-S444 WeakPolarHBondContact OE2-CA 3.17Å; E401-S444 PolarHBondContact OE2-OG 3.11Å; E401-N445 HydrophobicContact CG-CB 4.35Å; E401-N445 PolarHBondContact OE2-N 3.12Å; E401-N445 PolarHBondContact OE2-OD1 2.92Å; E401-L455 HydrophobicContact CB-CD1 4.18Å; E401-L455 HydrophobicContact CG-CD1 3.9Å |
| 402 | R | 98.3 | Very high | 97.4 | Very high | 65 Ų | 65 | 38.9 Ų | 38.9 | 25% | 0.245 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.9 | -40.8 | 175.2 | -172.8 | -176.9 | 166.4 | -159.5 | -1.2 | 111.7 | D322 V325 S398 I399 F400 R405 T406 L455 | D322-R402 IonicContact OD1-CZ 3.76Å; D322-R402 IonicContact OD1-NH1 3.82Å; D322-R402 PolarHBondContact OD1-NH1 3.28Å; D322-R402 IonicContact OD1-NH2 4Å; D322-R402 PolarHBondContact OD1-NH2 3.25Å; V325-R402 HydrophobicContact CG1-CG 4.03Å; V325-R402 HydrophobicContact CG2-CG 4.41Å; S398-R402 PolarHBondContact O-N 3.27Å; I399-R402 WeakPolarHBondContact O-CB 3.37Å; I399-R402 PolarHBondContact O-N 2.8Å; F400-R402 VanDerWaalsContact C-N 3.32Å; F400-R402 PolarHBondContact O-N 3.03Å; R402-R405 PolarHBondContact O-N 3.17Å; R402-T406 WeakPolarHBondContact O-CB 3.49Å; R402-T406 PolarHBondContact O-N 2.91Å; R402-T406 VanDerWaalsContact O-N 3.08Å; R402-T406 PolarHBondContact O-OG1 2.85Å; R402-L455 HydrophobicContact CB-CD2 4.4Å; R402-L455 HydrophobicContact CG-CD2 4.48Å |
| 403 | W | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.5 | -44.4 | 176 | 179.7 | 91.8 | 0 | 0 | 0 | 112.2 | L327 P328 Y330 F343 I399 F400 E401 R405 T406 H407 P409 F442 | L327-W403 PolarHBondContact O-NE1 2.75Å; P328-W403 WeakPolarHBondContact O-CZ2 3.35Å; Y330-W403 HydrophobicContact CD2-CH2 4.02Å; Y330-W403 AromaticContact CD2-CZ3 3.99Å; Y330-W403 HydrophobicContact CD2-CZ3 3.99Å; Y330-W403 HydrophobicContact CG-CH2 4.3Å; F343-W403 HydrophobicContact CD1-CB 4.36Å; F343-W403 AromaticContact CD1-CD1 3.76Å; F343-W403 AromaticContact CD1-CD2 3.55Å; F343-W403 HydrophobicContact CD1-CD2 3.55Å; F343-W403 AromaticContact CD1-CE2 3.7Å; F343-W403 HydrophobicContact CD1-CE3 4.08Å; F343-W403 AromaticContact CD1-CG 3.65Å; F343-W403 HydrophobicContact CD1-CG 3.65Å; F343-W403 HydrophobicContact CD1-CZ2 4.4Å; F343-W403 AromaticContact CD1-NE1 3.75Å; F343-W403 HydrophobicContact CD2-CB 4.31Å; F343-W403 AromaticContact CD2-CD1 3.32Å; F343-W403 HydrophobicContact CD2-CD2 4.49Å; F343-W403 AromaticContact CD2-CG 3.81Å; F343-W403 HydrophobicContact CD2-CG 3.81Å; F343-W403 AromaticContact CD2-NE1 3.78Å; F343-W403 HydrophobicContact CE1-CB 3.72Å; F343-W403 AromaticContact CE1-CD1 3.99Å; F343-W403 AromaticContact CE1-CD2 3.65Å; F343-W403 HydrophobicContact CE1-CD2 3.65Å; F343-W403 AromaticContact CE1-CE3 3.99Å; F343-W403 HydrophobicContact CE1-CE3 3.99Å; F343-W403 AromaticContact CE1-CG 3.5Å; F343-W403 HydrophobicContact CE1-CG 3.5Å; F343-W403 HydrophobicContact CE2-CB 3.66Å; F343-W403 AromaticContact CE2-CD1 3.57Å; F343-W403 AromaticContact CE2-CG 3.66Å; F343-W403 HydrophobicContact CE2-CG 3.66Å; F343-W403 AromaticContact CG-CD1 3.4Å; F343-W403 VanDerWaalsContact CG-CD1 3.4Å; F343-W403 AromaticContact CG-CD2 3.99Å; F343-W403 HydrophobicContact CG-CD2 3.99Å; F343-W403 AromaticContact CG-CE2 3.82Å; F343-W403 AromaticContact CG-CG 3.79Å; F343-W403 HydrophobicContact CG-CG 3.79Å; F343-W403 AromaticContact CG-NE1 3.39Å; F343-W403 HydrophobicContact CZ-CB 3.31Å; F343-W403 AromaticContact CZ-CD1 3.89Å; F343-W403 HydrophobicContact CZ-CD2 4.16Å; F343-W403 AromaticContact CZ-CG 3.5Å; F343-W403 HydrophobicContact CZ-CG 3.5Å; F343-W403 VanDerWaalsContact CZ-CG 3.5Å; I399-W403 PolarHBondContact O-N 3.27Å; F400-W403 HydrophobicContact CD2-CE3 4.23Å; F400-W403 HydrophobicContact CE2-CE3 4.07Å; F400-W403 HydrophobicContact CE2-CZ3 4.32Å; F400-W403 WeakPolarHBondContact O-CB 3.17Å; F400-W403 PolarHBondContact O-N 2.81Å; F400-W403 VanDerWaalsContact O-N 3.16Å; E401-W403 VanDerWaalsContact C-N 3.31Å; E401-W403 PolarHBondContact O-N 2.75Å; W403-R405 VanDerWaalsContact C-N 3.3Å; W403-R405 PolarHBondContact O-N 3.44Å; W403-T406 PolarHBondContact O-N 3.49Å; W403-T406 VanDerWaalsContact O-N 3.12Å; W403-H407 AromaticContact CD1-CE1 3.52Å; W403-H407 AromaticContact CD1-ND1 3.2Å; W403-H407 AromaticContact CD2-ND1 3.93Å; W403-H407 AromaticContact CE2-ND1 3.49Å; W403-H407 AromaticContact CG-ND1 3.75Å; W403-H407 HydrophobicContact CZ2-CB 4.4Å; W403-H407 AromaticContact NE1-CE1 3.37Å; W403-H407 PolarHBondContact NE1-CE1 2.82Å; W403-H407 AromaticContact NE1-ND1 3.03Å; W403-H407 PolarHBondContact NE1-ND1 2.88Å; W403-H407 PolarHBondContact O-N 2.86Å; W403-H407 PolarHBondContact O-ND1 3.27Å; W403-P409 HydrophobicContact CH2-CB 3.86Å; W403-P409 HydrophobicContact CH2-CG 3.69Å; W403-P409 HydrophobicContact CZ3-CB 4.3Å; W403-P409 HydrophobicContact CZ3-CG 3.6Å; W403-F442 AromaticContact CH2-CZ 3.87Å; W403-F442 HydrophobicContact CH2-CZ 3.87Å; W403-F442 AromaticContact CZ3-CE2 3.95Å; W403-F442 HydrophobicContact CZ3-CE2 3.95Å; W403-F442 AromaticContact CZ3-CZ 3.57Å; W403-F442 HydrophobicContact CZ3-CZ 3.57Å |
| 404 | L | 98.1 | Very high | 97.2 | Very high | 14 Ų | 14 | 41.2 Ų | 41.2 | 7% | 0.073 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.8 | -40.9 | 175.9 | -72.6 | 169.6 | 0 | 0 | 0 | 112.1 | F400 E401 Q408 P409 F442 | F400-L404 HydrophobicContact CD1-CD1 4.49Å; F400-L404 HydrophobicContact CD2-CD1 4.12Å; F400-L404 HydrophobicContact CD2-CG 3.97Å; F400-L404 HydrophobicContact CE1-CD1 4.13Å; F400-L404 HydrophobicContact CE2-CD1 3.75Å; F400-L404 HydrophobicContact CE2-CD2 3.77Å; F400-L404 HydrophobicContact CE2-CG 3.59Å; F400-L404 HydrophobicContact CG-CD1 4.47Å; F400-L404 HydrophobicContact CZ-CD1 3.73Å; F400-L404 HydrophobicContact CZ-CD2 4.13Å; F400-L404 HydrophobicContact CZ-CG 4.07Å; F400-L404 WeakPolarHBondContact O-CG 3.33Å; F400-L404 PolarHBondContact O-N 2.94Å; E401-L404 PolarHBondContact O-N 3.24Å; L404-Q408 WeakPolarHBondContact O-CA 3.27Å; L404-Q408 PolarHBondContact O-N 2.85Å; L404-P409 HydrophobicContact CD2-CG 3.94Å; L404-F442 HydrophobicContact CD2-CE2 4.33Å; L404-F442 HydrophobicContact CD2-CZ 4.31Å |
| 405 | R | 95.9 | Very high | 97.1 | Very high | 71 Ų | 71 | 42 Ų | 42 | 27% | 0.268 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -68 | -37.5 | 176.1 | -70.7 | 177.9 | -166.7 | -158.2 | -0.4 | 113.4 | E401 R402 W403 E451 L455 | E401-R405 WeakPolarHBondContact O-CG 3.33Å; E401-R405 PolarHBondContact O-N 3.42Å; E401-R405 IonicContact OE1-CZ 3.1Å; E401-R405 VanDerWaalsContact OE1-CZ 3.26Å; E401-R405 IonicContact OE1-NE 2.61Å; E401-R405 PolarHBondContact OE1-NE 3.34Å; E401-R405 IonicContact OE1-NH2 3.16Å; E401-R405 PolarHBondContact OE1-NH2 2.85Å; R402-R405 PolarHBondContact O-N 3.17Å; W403-R405 VanDerWaalsContact C-N 3.3Å; W403-R405 PolarHBondContact O-N 3.44Å; R405-E451 IonicContact CZ-OE1 2.72Å; R405-E451 IonicContact CZ-OE2 2.75Å; R405-E451 IonicContact NH1-OE1 3.26Å; R405-E451 IonicContact NH1-OE2 3.6Å; R405-E451 PolarHBondContact NH1-OE2 3.2Å; R405-E451 IonicContact NH2-OE1 2.63Å; R405-E451 PolarHBondContact NH2-OE1 2.82Å; R405-E451 IonicContact NH2-OE2 3.13Å; R405-E451 PolarHBondContact NH2-OE2 3.04Å; R405-L455 PolarHBondContact NH1-O 3.01Å |
| 406 | T | 96.1 | Very high | 97 | Very high | 82 Ų | 82 | 48 Ų | 48 | 50% | 0.503 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -70.4 | -45.2 | -176.2 | -59.1 | 0 | 0 | 0 | 0 | 110.6 | R402 W403 | R402-T406 WeakPolarHBondContact O-CB 3.49Å; R402-T406 PolarHBondContact O-N 2.91Å; R402-T406 VanDerWaalsContact O-N 3.08Å; R402-T406 PolarHBondContact O-OG1 2.85Å; W403-T406 PolarHBondContact O-N 3.49Å; W403-T406 VanDerWaalsContact O-N 3.12Å |
| 407 | H | 96.8 | Very high | 96.9 | Very high | 57 Ų | 57 | 48.7 Ų | 48.7 | 26% | 0.264 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -100.1 | -23 | -171.8 | -66.7 | 111.4 | 0 | 0 | 0 | 114.6 | V325 L327 P328 W403 P409 | V325-H407 PolarHBondContact O-CE1 3.16Å; L327-H407 PolarHBondContact O-CE1 3.31Å; P328-H407 WeakPolarHBondContact CA-NE2 3.46Å; W403-H407 AromaticContact CD1-CE1 3.52Å; W403-H407 AromaticContact CD1-ND1 3.2Å; W403-H407 AromaticContact CD2-ND1 3.93Å; W403-H407 AromaticContact CE2-ND1 3.49Å; W403-H407 AromaticContact CG-ND1 3.75Å; W403-H407 HydrophobicContact CZ2-CB 4.4Å; W403-H407 AromaticContact NE1-CE1 3.37Å; W403-H407 PolarHBondContact NE1-CE1 2.82Å; W403-H407 AromaticContact NE1-ND1 3.03Å; W403-H407 PolarHBondContact NE1-ND1 2.88Å; W403-H407 PolarHBondContact O-N 2.86Å; W403-H407 PolarHBondContact O-ND1 3.27Å; H407-P409 VanDerWaalsContact C-N 3.28Å |
| 408 | Q | 96 | Very high | 96.8 | Very high | 161 Ų | 161 | 52.8 Ų | 52.8 | 75% | 0.752 | 27% | 0.272 | S | S | * | . | trans | 44.7 | 52.8 | -175 | -58.3 | -179.2 | 1.4 | 0 | 0 | 111.8 | L404 | L404-Q408 WeakPolarHBondContact O-CA 3.27Å; L404-Q408 PolarHBondContact O-N 2.85Å | ||
| 409 | P | 96.1 | Very high | 96.8 | Very high | 34 Ų | 34 | 52.8 Ų | 52.8 | 22% | 0.221 | 27% | 0.272 | C | S | . | . | trans | -61.7 | 152.4 | -171.9 | 31.6 | -40.3 | 0 | 0 | 0 | 110.8 | W403 L404 H407 F442 | W403-P409 HydrophobicContact CH2-CB 3.86Å; W403-P409 HydrophobicContact CH2-CG 3.69Å; W403-P409 HydrophobicContact CZ3-CB 4.3Å; W403-P409 HydrophobicContact CZ3-CG 3.6Å; L404-P409 HydrophobicContact CD2-CG 3.94Å; H407-P409 VanDerWaalsContact C-N 3.28Å; P409-F442 HydrophobicContact CB-CE1 4.25Å; P409-F442 HydrophobicContact CB-CZ 4.46Å; P409-F442 HydrophobicContact CG-CE1 3.83Å; P409-F442 HydrophobicContact CG-CZ 3.97Å | ||
| 410 | L | 94 | Very high | 96.8 | Very high | 125 Ų | 125 | 53.5 Ų | 53.5 | 65% | 0.654 | 28% | 0.277 | S | S | * | . | trans | -65.4 | 150.9 | 169.8 | -63.7 | 176.3 | 0 | 0 | 0 | 109.5 | S412 S413 | L410-S412 PolarHBondContact O-N 3.48Å; L410-S412 VanDerWaalsContact O-N 3.13Å; L410-S413 WeakPolarHBondContact O-CB 3.42Å; L410-S413 PolarHBondContact O-N 2.71Å; L410-S413 PolarHBondContact O-OG 3.29Å | ||
| 411 | R | 93.4 | Very high | 96.7 | Very high | 98 Ų | 98 | 54 Ų | 54 | 37% | 0.37 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -56.3 | -31.8 | 175.4 | 179.4 | 58.7 | -172.9 | 69.7 | 12.6 | 112.3 | S413 Y414 D425 G439 | R411-S413 PolarHBondContact O-N 3.31Å; R411-Y414 PolarHBondContact O-N 2.95Å; R411-D425 IonicContact CZ-OD1 3.42Å; R411-D425 IonicContact CZ-OD2 2.58Å; R411-D425 IonicContact NH1-OD1 3.68Å; R411-D425 PolarHBondContact NH1-OD1 3.02Å; R411-D425 IonicContact NH1-OD2 3.46Å; R411-D425 IonicContact NH2-OD1 3Å; R411-D425 PolarHBondContact NH2-OD1 2.61Å; R411-D425 IonicContact NH2-OD2 2.78Å; R411-D425 PolarHBondContact NH2-OD2 2.77Å; R411-G439 VanDerWaalsContact CZ-C 3.41Å; R411-G439 VanDerWaalsContact CZ-CA 3.49Å; R411-G439 PolarHBondContact NE-O 2.96Å; R411-G439 PolarHBondContact NH2-O 2.81Å |
| 412 | S | 93.5 | Very high | 96.7 | Very high | 98 Ų | 98 | 54 Ų | 54 | 69% | 0.685 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -73 | -5 | 176.4 | 58.1 | 0 | 0 | 0 | 0 | 114.7 | L410 Y414 | L410-S412 PolarHBondContact O-N 3.48Å; L410-S412 VanDerWaalsContact O-N 3.13Å; S412-Y414 PolarHBondContact O-N 2.58Å |
| 413 | S | 94.9 | Very high | 96.7 | Very high | 49 Ų | 49 | 51 Ų | 51 | 34% | 0.343 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -72 | -18.2 | 172.2 | -61.8 | 0 | 0 | 0 | 0 | 112.4 | L410 R411 | L410-S413 WeakPolarHBondContact O-CB 3.42Å; L410-S413 PolarHBondContact O-N 2.71Å; L410-S413 PolarHBondContact O-OG 3.29Å; R411-S413 PolarHBondContact O-N 3.31Å |
| 414 | Y | 97.9 | Very high | 96.7 | Very high | 3 Ų | 3 | 51 Ų | 51 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -78 | 135.4 | 168.7 | -164.5 | -83.7 | 0 | 0 | 0 | 109.7 | A208 A209 P212 Y330 R411 S412 Q416 H423 D425 N438 F442 | A208-Y414 HydrophobicContact CB-CE1 4.45Å; A208-Y414 HydrophobicContact CB-CE2 4.16Å; A208-Y414 WeakPolarHBondContact O-CE2 3.4Å; A208-Y414 PolarHBondContact O-OH 3.13Å; A209-Y414 WeakPolarHBondContact CA-OH 3.43Å; A209-Y414 PolarHBondContact N-OH 2.71Å; P212-Y414 HydrophobicContact CG-CE2 3.84Å; Y330-Y414 HydrophobicContact CD1-CD2 4.17Å; Y330-Y414 AromaticContact CE1-CD2 3.6Å; Y330-Y414 HydrophobicContact CE1-CD2 3.6Å; Y330-Y414 AromaticContact CE1-CE2 3.63Å; Y330-Y414 HydrophobicContact CE1-CE2 3.63Å; R411-Y414 PolarHBondContact O-N 2.95Å; S412-Y414 PolarHBondContact O-N 2.58Å; Y414-Q416 PolarHBondContact O-N 2.73Å; Y414-H423 VanDerWaalsContact CE1-O 3.29Å; Y414-H423 WeakPolarHBondContact CE1-O 3.34Å; Y414-H423 PolarHBondContact OH-O 2.98Å; Y414-D425 HydrophobicContact CD1-CB 3.95Å; Y414-D425 WeakPolarHBondContact CD1-OD1 3.45Å; Y414-D425 HydrophobicContact CE1-CB 4.38Å; Y414-N438 HydrophobicContact CE1-CB 3.87Å; Y414-N438 WeakPolarHBondContact OH-CB 3.08Å; Y414-F442 HydrophobicContact CD2-CB 3.91Å; Y414-F442 HydrophobicContact CD2-CD1 4.43Å; Y414-F442 AromaticContact CD2-CD2 3.6Å; Y414-F442 HydrophobicContact CD2-CD2 3.6Å; Y414-F442 HydrophobicContact CD2-CE2 4.24Å; Y414-F442 AromaticContact CD2-CG 3.72Å; Y414-F442 HydrophobicContact CD2-CG 3.72Å; Y414-F442 HydrophobicContact CE2-CD2 4.38Å; Y414-F442 HydrophobicContact CG-CB 4.31Å; Y414-F442 HydrophobicContact CG-CG 4.24Å |
| 415 | P | 97.3 | Very high | 96.7 | Very high | 16 Ų | 16 | 52 Ų | 52 | 10% | 0.104 | 27% | 0.274 | C | S | . | . | trans | -68.3 | 121.2 | -171.2 | 25 | -33.9 | 0 | 0 | 0 | 113.1 | A208 M335 A419 D425 | A208-P415 HydrophobicContact CB-CG 3.34Å; M335-P415 HydrophobicContact SD-CB 3.4Å; M335-P415 WeakPolarHBondContact SD-CB 3.41Å; M335-P415 HydrophobicContact SD-CG 4.03Å; P415-A419 HydrophobicContact CB-CB 4.48Å; P415-A419 HydrophobicContact CG-CB 4.33Å; P415-D425 WeakPolarHBondContact O-CB 3.38Å; P415-D425 PolarHBondContact O-N 3.04Å | ||
| 416 | Q | 97.3 | Very high | 96.8 | Very high | 125 Ų | 125 | 49.1 Ų | 49.1 | 58% | 0.584 | 27% | 0.267 | S | S | * | . | trans | -67.8 | -42.8 | 178.1 | -178.1 | 177.1 | -10.8 | 0 | 0 | 112.7 | E64 Y414 | E64-Q416 HydrophobicContact CG-CG 4.38Å; E64-Q416 PolarHBondContact OE1-NE2 3Å; Y414-Q416 PolarHBondContact O-N 2.73Å | ||
| 417 | A | 97.4 | Very high | 96.9 | Very high | 19 Ų | 19 | 46.1 Ų | 46.1 | 16% | 0.157 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -148.6 | 167.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E64 P65 A419 N424 | E64-A417 HydrophobicContact CB-CB 4.02Å; P65-A417 HydrophobicContact CG-CB 4.23Å; A417-A419 PolarHBondContact O-N 2.69Å; A417-A419 VanDerWaalsContact O-N 3.16Å; A417-N424 VanDerWaalsContact CA-OD1 3.28Å; A417-N424 WeakPolarHBondContact CA-OD1 3.47Å |
| 418 | N | 97.3 | Very high | 96.9 | Very high | 91 Ų | 91 | 44.9 Ų | 44.9 | 49% | 0.487 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 63.3 | 6.1 | 177 | -50.2 | -61.7 | 0 | 0 | 0 | 116 | P65 G67 M335 N424 | P65-N418 WeakPolarHBondContact CG-OD1 3.5Å; P65-N418 WeakPolarHBondContact O-CA 3.43Å; P65-N418 PolarHBondContact O-N 2.79Å; G67-N418 VanDerWaalsContact CA-O 3.24Å; G67-N418 WeakPolarHBondContact CA-O 3.31Å; G67-N418 PolarHBondContact N-O 3.21Å; M335-N418 HydrophobicContact CE-CB 4.32Å; N418-N424 PolarHBondContact N-OD1 3.46Å |
| 419 | A | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -67.6 | 155.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | G67 M335 P415 A417 H423 N424 | G67-A419 PolarHBondContact N-O 2.75Å; M335-A419 HydrophobicContact SD-CB 4.42Å; P415-A419 HydrophobicContact CB-CB 4.48Å; P415-A419 HydrophobicContact CG-CB 4.33Å; A417-A419 PolarHBondContact O-N 2.69Å; A417-A419 VanDerWaalsContact O-N 3.16Å; A419-H423 HydrophobicContact CB-CB 3.85Å; A419-N424 WeakPolarHBondContact CB-OD1 3.47Å; A419-N424 PolarHBondContact N-OD1 3.31Å |
| 420 | P | 97.9 | Very high | 97.1 | Very high | 15 Ų | 15 | 35.7 Ų | 35.7 | 10% | 0.097 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -37.5 | 142.7 | 164.9 | -34 | 35.2 | 0 | 0 | 0 | 112.9 | Q69 S207 M335 D336 G422 H423 | Q69-P420 HydrophobicContact CG-CG 4.47Å; S207-P420 VanDerWaalsContact OG-CD 3.25Å; S207-P420 WeakPolarHBondContact OG-CD 3.46Å; S207-P420 WeakPolarHBondContact OG-CG 3.39Å; M335-P420 WeakPolarHBondContact O-CD 3.05Å; D336-P420 HydrophobicContact CB-CG 4.25Å; P420-G422 PolarHBondContact O-N 2.81Å; P420-H423 WeakPolarHBondContact O-CB 3.45Å; P420-H423 PolarHBondContact O-CD2 2.92Å; P420-H423 PolarHBondContact O-N 3.42Å |
| 421 | I | 98.1 | Very high | 97.2 | Very high | 11 Ų | 11 | 29.8 Ų | 29.8 | 6% | 0.056 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | 129.6 | -176.3 | -175 | 170.8 | 0 | 0 | 0 | 110.5 | N66 Y70 E79 I201 F203 H423 Y427 | N66-I421 HydrophobicContact CB-CB 4.17Å; Y70-I421 HydrophobicContact CD1-CD1 3.79Å; Y70-I421 HydrophobicContact CD1-CG2 4.25Å; Y70-I421 HydrophobicContact CE1-CD1 4.11Å; Y70-I421 HydrophobicContact CG-CG2 4.01Å; E79-I421 HydrophobicContact CG-CD1 4.04Å; I201-I421 HydrophobicContact CD1-CG2 4.16Å; I201-I421 HydrophobicContact CG1-CG2 4.16Å; F203-I421 HydrophobicContact CE1-CD1 4.49Å; F203-I421 HydrophobicContact CE1-CG1 4Å; F203-I421 HydrophobicContact CE1-CG2 4.38Å; F203-I421 HydrophobicContact CZ-CD1 4.44Å; F203-I421 HydrophobicContact CZ-CG1 4.36Å; F203-I421 HydrophobicContact CZ-CG2 4.32Å; I421-H423 PolarHBondContact O-CD2 3.37Å; I421-Y427 HydrophobicContact CG1-CE2 4.08Å |
| 422 | G | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.9 | -17.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | P420 N438 | P420-G422 PolarHBondContact O-N 2.81Å; G422-N438 PolarHBondContact O-ND2 3.06Å |
| 423 | H | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | trans | -102.5 | -11 | -170.2 | -63.5 | -100 | 0 | 0 | 0 | 114.8 | D202 H205 S207 A208 A209 Y414 A419 P420 I421 | D202-H423 PolarHBondContact O-NE2 3.25Å; H205-H423 PolarHBondContact O-CE1 2.75Å; H205-H423 PolarHBondContact O-NE2 2.66Å; S207-H423 VanDerWaalsContact C-ND1 3.33Å; S207-H423 VanDerWaalsContact CB-CG 3.41Å; S207-H423 VanDerWaalsContact CB-ND1 3.3Å; S207-H423 WeakPolarHBondContact CB-ND1 3.1Å; S207-H423 PolarHBondContact O-ND1 2.88Å; S207-H423 WeakPolarHBondContact OG-CB 3.46Å; A208-H423 HydrophobicContact CB-CB 4.31Å; A209-H423 HydrophobicContact CB-CB 4.22Å; A209-H423 VanDerWaalsContact CB-ND1 3.31Å; A209-H423 WeakPolarHBondContact CB-ND1 3.01Å; A209-H423 PolarHBondContact N-ND1 2.74Å; Y414-H423 VanDerWaalsContact CE1-O 3.29Å; Y414-H423 WeakPolarHBondContact CE1-O 3.34Å; Y414-H423 PolarHBondContact OH-O 2.98Å; A419-H423 HydrophobicContact CB-CB 3.85Å; P420-H423 WeakPolarHBondContact O-CB 3.45Å; P420-H423 PolarHBondContact O-CD2 2.92Å; P420-H423 PolarHBondContact O-N 3.42Å; I421-H423 PolarHBondContact O-CD2 3.37Å | ||
| 424 | N | 98.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.011 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -57.7 | 152.6 | 174.2 | -76 | -16.8 | 0 | 0 | 0 | 111.9 | P65 N66 A417 N418 A419 G426 Y427 N438 | P65-N424 PolarHBondContact O-ND2 3.16Å; N66-N424 PolarHBondContact OD1-ND2 3.02Å; A417-N424 VanDerWaalsContact CA-OD1 3.28Å; A417-N424 WeakPolarHBondContact CA-OD1 3.47Å; N418-N424 PolarHBondContact N-OD1 3.46Å; A419-N424 WeakPolarHBondContact CB-OD1 3.47Å; A419-N424 PolarHBondContact N-OD1 3.31Å; N424-G426 PolarHBondContact O-N 3.33Å; N424-Y427 VanDerWaalsContact O-CB 3.31Å; N424-Y427 WeakPolarHBondContact O-CB 3.17Å; N424-Y427 PolarHBondContact O-N 3.06Å; N424-N438 PolarHBondContact O-ND2 3.06Å |
| 425 | D | 97.9 | Very high | 97.2 | Very high | 34 Ų | 34 | 20.6 Ų | 20.6 | 18% | 0.182 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.9 | -54.4 | -179.2 | -171.3 | 76.3 | 0 | 0 | 0 | 114.4 | R411 Y414 P415 Y427 N438 G439 | R411-D425 IonicContact CZ-OD1 3.42Å; R411-D425 IonicContact CZ-OD2 2.58Å; R411-D425 IonicContact NH1-OD1 3.68Å; R411-D425 PolarHBondContact NH1-OD1 3.02Å; R411-D425 IonicContact NH1-OD2 3.46Å; R411-D425 IonicContact NH2-OD1 3Å; R411-D425 PolarHBondContact NH2-OD1 2.61Å; R411-D425 IonicContact NH2-OD2 2.78Å; R411-D425 PolarHBondContact NH2-OD2 2.77Å; Y414-D425 HydrophobicContact CD1-CB 3.95Å; Y414-D425 WeakPolarHBondContact CD1-OD1 3.45Å; Y414-D425 HydrophobicContact CE1-CB 4.38Å; P415-D425 WeakPolarHBondContact O-CB 3.38Å; P415-D425 PolarHBondContact O-N 3.04Å; D425-Y427 VanDerWaalsContact C-N 3.27Å; D425-Y427 PolarHBondContact O-N 3.09Å; D425-N438 PolarHBondContact O-N 3.48Å; D425-G439 PolarHBondContact O-N 3.42Å; D425-G439 VanDerWaalsContact OD1-CA 3.3Å; D425-G439 WeakPolarHBondContact OD1-CA 3.33Å |
| 426 | G | 97.3 | Very high | 97.2 | Very high | 11 Ų | 11 | 21.2 Ų | 21.2 | 11% | 0.113 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 1.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114 | N424 R437 | N424-G426 PolarHBondContact O-N 3.33Å; G426-R437 PolarHBondContact O-NH1 3.41Å |
| 427 | Y | 98.2 | Very high | 97.1 | Very high | 19 Ų | 19 | 18 Ų | 18 | 8% | 0.075 | 9% | 0.093 | C | C | . | . | P | Polyproline II helix | trans | -74 | 135 | 179.6 | -145.5 | -71.4 | 0 | 0 | 0 | 109.9 | R78 R80 W81 F203 I421 N424 D425 I430 R437 N438 | R78-Y427 PolarHBondContact O-OH 3.39Å; R78-Y427 VanDerWaalsContact O-OH 3.07Å; R80-Y427 PolarHBondContact N-OH 2.93Å; W81-Y427 HydrophobicContact CB-CE1 4.34Å; F203-Y427 HydrophobicContact CE1-CE1 4.47Å; I421-Y427 HydrophobicContact CG1-CE2 4.08Å; N424-Y427 VanDerWaalsContact O-CB 3.31Å; N424-Y427 WeakPolarHBondContact O-CB 3.17Å; N424-Y427 PolarHBondContact O-N 3.06Å; D425-Y427 VanDerWaalsContact C-N 3.27Å; D425-Y427 PolarHBondContact O-N 3.09Å; Y427-I430 HydrophobicContact CD1-CD1 3.85Å; Y427-I430 HydrophobicContact CE1-CD1 3.51Å; Y427-I430 HydrophobicContact CE1-CG1 4.42Å; Y427-R437 WeakPolarHBondContact O-CA 3.05Å; Y427-N438 PolarHBondContact O-N 2.69Å; Y427-N438 VanDerWaalsContact O-N 3.11Å |
| 428 | Y | 98.4 | Very high | 97.2 | Very high | 31 Ų | 31 | 17 Ų | 17 | 12% | 0.122 | 9% | 0.086 | C | C | . | . | B | Isolated β-bridge | trans | -77.7 | 124.6 | 173.7 | -70.7 | -62.6 | 0 | 0 | 0 | 110.3 | V59 L60 V61 W81 I430 L435 Y436 R437 | V59-Y428 HydrophobicContact CG1-CD2 4.33Å; V59-Y428 HydrophobicContact CG1-CE2 3.67Å; L60-Y428 VanDerWaalsContact O-CE2 3.27Å; L60-Y428 WeakPolarHBondContact O-CE2 3.5Å; L60-Y428 PolarHBondContact O-OH 3.4Å; V61-Y428 HydrophobicContact CG1-CD2 4.16Å; V61-Y428 HydrophobicContact CG1-CE2 4.21Å; W81-Y428 WeakPolarHBondContact O-CD2 3.1Å; Y428-I430 WeakPolarHBondContact O-CD1 3.48Å; Y428-I430 PolarHBondContact O-N 3.22Å; Y428-L435 HydrophobicContact CD1-CB 3.58Å; Y428-L435 HydrophobicContact CD1-CD1 4.4Å; Y428-L435 HydrophobicContact CD1-CG 4.4Å; Y428-L435 HydrophobicContact CD2-CD1 4.2Å; Y428-L435 HydrophobicContact CE1-CB 3.62Å; Y428-L435 HydrophobicContact CE1-CD1 4.16Å; Y428-L435 HydrophobicContact CE1-CG 4.46Å; Y428-L435 HydrophobicContact CE2-CD1 3.95Å; Y428-L435 HydrophobicContact CG-CB 4.15Å; Y428-L435 HydrophobicContact CG-CD1 4.39Å; Y428-L435 HydrophobicContact CG-CD2 4.3Å; Y428-Y436 CarbonylContact C-O 3.48Å; Y428-Y436 VanDerWaalsContact CA-O 3.24Å; Y428-Y436 WeakPolarHBondContact CA-O 3.35Å; Y428-R437 HydrophobicContact CD1-CG 3.52Å; Y428-R437 HydrophobicContact CE1-CG 3.54Å; Y428-R437 HydrophobicContact CG-CG 4.45Å; Y428-R437 VanDerWaalsContact CZ-CZ 3.44Å; Y428-R437 VanDerWaalsContact CZ-NH2 3.31Å; Y428-R437 PolarHBondContact OH-NH2 3.35Å |
| 429 | M | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.005 | 6% | 0.062 | C | C | . | . | P | Polyproline II helix | trans | -55.5 | 118 | 178.3 | -65.5 | 174.4 | -174 | 0 | 0 | 111.6 | P212 V216 F432 Y436 N438 Y441 | P212-M429 HydrophobicContact CB-CE 3.77Å; P212-M429 WeakPolarHBondContact O-CE 3.17Å; V216-M429 HydrophobicContact CB-CE 4.39Å; V216-M429 HydrophobicContact CB-SD 3.71Å; V216-M429 HydrophobicContact CG1-SD 4.06Å; V216-M429 HydrophobicContact CG2-CE 3.72Å; V216-M429 HydrophobicContact CG2-SD 3.59Å; V216-M429 VanDerWaalsContact CG2-SD 3.59Å; M429-F432 HydrophobicContact CB-CD2 3.57Å; M429-F432 HydrophobicContact CB-CE2 4.02Å; M429-F432 PolarHBondContact O-N 2.86Å; M429-F432 VanDerWaalsContact O-N 3.12Å; M429-F432 HydrophobicContact SD-CD2 4.34Å; M429-F432 HydrophobicContact SD-CE2 4.3Å; M429-Y436 PolarHBondContact N-O 3.36Å; M429-N438 VanDerWaalsContact CG-OD1 3.23Å; M429-N438 WeakPolarHBondContact CG-OD1 3.11Å; M429-Y441 HydrophobicContact CE-CD2 3.78Å; M429-Y441 HydrophobicContact CE-CG 4.01Å |
| 430 | I | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | 147.8 | 178.9 | -59.1 | 80.4 | 0 | 0 | 0 | 109.6 | R78 W81 Y184 V185 F203 W213 Y427 Y428 | R78-I430 HydrophobicContact CB-CG1 4.34Å; R78-I430 HydrophobicContact CB-CG2 4.18Å; R78-I430 HydrophobicContact CG-CG2 3.84Å; W81-I430 HydrophobicContact CB-CD1 4.32Å; W81-I430 HydrophobicContact CB-CG1 3.7Å; W81-I430 HydrophobicContact CD2-CG1 4.39Å; W81-I430 HydrophobicContact CD2-CG2 4.4Å; W81-I430 HydrophobicContact CE3-CG2 4.33Å; W81-I430 HydrophobicContact CG-CB 4.49Å; W81-I430 HydrophobicContact CG-CG1 3.91Å; Y184-I430 HydrophobicContact CD1-CG2 3.94Å; Y184-I430 HydrophobicContact CE1-CG2 3.95Å; V185-I430 HydrophobicContact CG1-CB 4.05Å; V185-I430 HydrophobicContact CG1-CG2 4.09Å; V185-I430 WeakPolarHBondContact CG1-O 3.44Å; F203-I430 HydrophobicContact CB-CB 4.33Å; F203-I430 HydrophobicContact CB-CD1 3.94Å; F203-I430 HydrophobicContact CB-CG1 4.4Å; F203-I430 HydrophobicContact CD1-CD1 3.2Å; F203-I430 HydrophobicContact CD1-CG1 3.86Å; F203-I430 HydrophobicContact CE1-CD1 3.88Å; F203-I430 HydrophobicContact CE1-CG1 4.34Å; F203-I430 HydrophobicContact CG-CD1 3.83Å; F203-I430 HydrophobicContact CG-CG1 4.2Å; W213-I430 PolarHBondContact NE1-O 3.15Å; Y427-I430 HydrophobicContact CD1-CD1 3.85Å; Y427-I430 HydrophobicContact CE1-CD1 3.51Å; Y427-I430 HydrophobicContact CE1-CG1 4.42Å; Y428-I430 WeakPolarHBondContact O-CD1 3.48Å; Y428-I430 PolarHBondContact O-N 3.22Å |
| 431 | P | 96.5 | Very high | 97 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.006 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -98.4 | 44.4 | -21.6 | 37.4 | -24.7 | 0 | 0 | 0 | 109.7 | Q20 W81 W180 I181 Y184 | Q20-P431 HydrophobicContact CG-CG 4.43Å; Q20-P431 PolarHBondContact NE2-O 2.88Å; Q20-P431 VanDerWaalsContact NE2-O 3.16Å; W81-P431 HydrophobicContact CH2-CB 3.52Å; W81-P431 HydrophobicContact CZ2-CB 3.67Å; W81-P431 VanDerWaalsContact CZ2-O 3.26Å; W81-P431 WeakPolarHBondContact CZ2-O 3.22Å; W81-P431 HydrophobicContact CZ3-CB 4.04Å; W180-P431 HydrophobicContact CZ3-CG 4.07Å; I181-P431 HydrophobicContact CG1-CG 4.22Å; I181-P431 HydrophobicContact CG2-CG 4.38Å; Y184-P431 HydrophobicContact CD1-CB 3.62Å; Y184-P431 HydrophobicContact CD1-CG 3.71Å; Y184-P431 HydrophobicContact CE1-CB 3.86Å; Y184-P431 HydrophobicContact CE1-CG 4.44Å; Y184-P431 HydrophobicContact CG-CG 4.43Å |
| 432 | F | 96.6 | Very high | 97 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 0% | 0.004 | 8% | 0.08 | C | C | . | . | trans | -70.8 | 137 | -174.7 | -64 | -58.9 | 0 | 0 | 0 | 111.4 | W81 I181 W213 V216 F217 M429 P434 Y436 | W81-F432 PolarHBondContact NE1-O 2.8Å; I181-F432 HydrophobicContact CD1-CE1 4.44Å; I181-F432 HydrophobicContact CG2-CE1 4Å; I181-F432 HydrophobicContact CG2-CZ 4.33Å; W213-F432 HydrophobicContact CD2-CE2 4.28Å; W213-F432 AromaticContact CE2-CE2 3.76Å; W213-F432 AromaticContact CE2-CZ 3.96Å; W213-F432 HydrophobicContact CG-CE2 4.43Å; W213-F432 HydrophobicContact CH2-CZ 4.45Å; W213-F432 HydrophobicContact CZ2-CE2 4.16Å; W213-F432 AromaticContact CZ2-CZ 3.92Å; W213-F432 HydrophobicContact CZ2-CZ 3.92Å; W213-F432 AromaticContact NE1-CE2 3.62Å; V216-F432 HydrophobicContact CB-CE2 4.3Å; V216-F432 HydrophobicContact CG1-CD2 3.98Å; V216-F432 HydrophobicContact CG1-CE2 3.85Å; V216-F432 HydrophobicContact CG1-CG 4.48Å; V216-F432 HydrophobicContact CG1-CZ 4.24Å; F217-F432 HydrophobicContact CB-CZ 3.9Å; F217-F432 HydrophobicContact CD2-CE1 4.25Å; F217-F432 HydrophobicContact CD2-CZ 4.02Å; F217-F432 HydrophobicContact CG-CZ 4.49Å; M429-F432 HydrophobicContact CB-CD2 3.57Å; M429-F432 HydrophobicContact CB-CE2 4.02Å; M429-F432 PolarHBondContact O-N 2.86Å; M429-F432 VanDerWaalsContact O-N 3.12Å; M429-F432 HydrophobicContact SD-CD2 4.34Å; M429-F432 HydrophobicContact SD-CE2 4.3Å; F432-P434 CarbonylContact C-O 3.59Å; F432-Y436 HydrophobicContact CB-CD2 3.72Å; F432-Y436 HydrophobicContact CB-CE2 4.16Å; F432-Y436 HydrophobicContact CD2-CD2 4.22Å; F432-Y436 HydrophobicContact CG-CD2 4.08Å | ||
| 433 | L | 93.8 | Very high | 96.8 | Very high | 5 Ų | 5 | 18.4 Ų | 18.4 | 3% | 0.026 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -134.8 | 118.5 | 163.9 | -78.3 | 166.9 | 0 | 0 | 0 | 108.2 | F21 W81 F86 T89 Y150 L435 | F21-L433 HydrophobicContact CB-CD1 4.41Å; F21-L433 HydrophobicContact CD1-CD1 3.28Å; F21-L433 HydrophobicContact CE1-CD1 3.89Å; F21-L433 HydrophobicContact CG-CD1 4.33Å; W81-L433 HydrophobicContact CZ2-CD1 4.26Å; W81-L433 HydrophobicContact CZ2-CG 4.21Å; F86-L433 HydrophobicContact CD2-CD1 4.4Å; T89-L433 HydrophobicContact CG2-CD2 4.07Å; Y150-L433 WeakPolarHBondContact CE1-O 3.28Å; Y150-L433 VanDerWaalsContact CZ-O 3.32Å; Y150-L433 PolarHBondContact OH-O 3.26Å; L433-L435 HydrophobicContact CD2-CD2 3.63Å; L433-L435 HydrophobicContact CD2-CG 3.95Å |
| 434 | P | 92.9 | Very high | 96.7 | Very high | 19 Ų | 19 | 20.1 Ų | 20.1 | 12% | 0.123 | 10% | 0.103 | C | C | . | . | S | Bend | cis | -68.1 | 165.3 | 10.7 | 32.6 | -38.1 | 0 | 0 | 0 | 113.4 | F432 Y436 | F432-P434 CarbonylContact C-O 3.59Å; P434-Y436 HydrophobicContact CG-CE1 4.39Å; P434-Y436 HydrophobicContact CG-CE2 4.27Å; P434-Y436 WeakPolarHBondContact CG-OH 3.18Å; P434-Y436 WeakPolarHBondContact O-CD2 3.44Å; P434-Y436 WeakPolarHBondContact O-CE2 3.04Å |
| 435 | L | 95.8 | Very high | 96.5 | Very high | 30 Ų | 30 | 20 Ų | 20 | 16% | 0.157 | 10% | 0.102 | C | C | . | . | trans | -78.3 | 135.3 | -172.6 | -62.3 | 176.6 | 0 | 0 | 0 | 112.1 | V59 P82 Y428 L433 | V59-L435 HydrophobicContact CB-CD1 4.41Å; V59-L435 HydrophobicContact CG1-CD1 3.58Å; V59-L435 HydrophobicContact CG2-CD1 3.89Å; P82-L435 HydrophobicContact CB-CD2 4.3Å; P82-L435 HydrophobicContact CG-CD1 4.13Å; P82-L435 HydrophobicContact CG-CD2 3.82Å; Y428-L435 HydrophobicContact CD1-CB 3.58Å; Y428-L435 HydrophobicContact CD1-CD1 4.4Å; Y428-L435 HydrophobicContact CD1-CG 4.4Å; Y428-L435 HydrophobicContact CD2-CD1 4.2Å; Y428-L435 HydrophobicContact CE1-CB 3.62Å; Y428-L435 HydrophobicContact CE1-CD1 4.16Å; Y428-L435 HydrophobicContact CE1-CG 4.46Å; Y428-L435 HydrophobicContact CE2-CD1 3.95Å; Y428-L435 HydrophobicContact CG-CB 4.15Å; Y428-L435 HydrophobicContact CG-CD1 4.39Å; Y428-L435 HydrophobicContact CG-CD2 4.3Å; L433-L435 HydrophobicContact CD2-CD2 3.63Å; L433-L435 HydrophobicContact CD2-CG 3.95Å | ||
| 436 | Y | 96.6 | Very high | 96.2 | Very high | 29 Ų | 29 | 21.6 Ų | 21.6 | 11% | 0.114 | 11% | 0.108 | C | C | . | . | trans | -128.1 | 131.4 | 177.9 | -59.6 | -60.7 | 0 | 0 | 0 | 109.6 | F106 V216 Y428 M429 F432 P434 Y441 | F106-Y436 HydrophobicContact CE2-CE1 4.21Å; V216-Y436 HydrophobicContact CG1-CD2 3.49Å; V216-Y436 VanDerWaalsContact CG1-CD2 3.49Å; V216-Y436 HydrophobicContact CG1-CE2 3.88Å; V216-Y436 HydrophobicContact CG1-CG 3.97Å; Y428-Y436 CarbonylContact C-O 3.48Å; Y428-Y436 VanDerWaalsContact CA-O 3.24Å; Y428-Y436 WeakPolarHBondContact CA-O 3.35Å; M429-Y436 PolarHBondContact N-O 3.36Å; F432-Y436 HydrophobicContact CB-CD2 3.72Å; F432-Y436 HydrophobicContact CB-CE2 4.16Å; F432-Y436 HydrophobicContact CD2-CD2 4.22Å; F432-Y436 HydrophobicContact CG-CD2 4.08Å; P434-Y436 HydrophobicContact CG-CE1 4.39Å; P434-Y436 HydrophobicContact CG-CE2 4.27Å; P434-Y436 WeakPolarHBondContact CG-OH 3.18Å; P434-Y436 WeakPolarHBondContact O-CD2 3.44Å; P434-Y436 WeakPolarHBondContact O-CE2 3.04Å; Y436-Y441 AromaticContact CD1-CE2 3.64Å; Y436-Y441 HydrophobicContact CD1-CE2 3.64Å; Y436-Y441 AromaticContact CD1-CZ 3.56Å; Y436-Y441 WeakPolarHBondContact CD1-OH 3.32Å; Y436-Y441 WeakPolarHBondContact CE1-OH 3.46Å; Y436-Y441 AromaticContact CG-CE2 3.97Å; Y436-Y441 HydrophobicContact CG-CE2 3.97Å | ||
| 437 | R | 97.1 | Very high | 96 | Very high | 57 Ų | 57 | 24.8 Ų | 24.8 | 22% | 0.215 | 13% | 0.125 | C | C | . | . | B | Isolated β-bridge | trans | -92.8 | 144 | 175.9 | -62.3 | -177.1 | -172.2 | -90.9 | 4.5 | 110.8 | L60 G426 Y427 Y428 G439 D440 Y441 | L60-R437 PolarHBondContact O-NH2 2.91Å; G426-R437 PolarHBondContact O-NH1 3.41Å; Y427-R437 WeakPolarHBondContact O-CA 3.05Å; Y428-R437 HydrophobicContact CD1-CG 3.52Å; Y428-R437 HydrophobicContact CE1-CG 3.54Å; Y428-R437 HydrophobicContact CG-CG 4.45Å; Y428-R437 VanDerWaalsContact CZ-CZ 3.44Å; Y428-R437 VanDerWaalsContact CZ-NH2 3.31Å; Y428-R437 PolarHBondContact OH-NH2 3.35Å; R437-G439 PolarHBondContact O-N 2.91Å; R437-D440 HydrophobicContact CB-CB 4.35Å; R437-D440 PolarHBondContact O-N 2.97Å; R437-Y441 WeakPolarHBondContact O-CD2 3.28Å |
| 438 | N | 98 | Very high | 96 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -51.2 | -53.3 | -179.6 | -69.5 | -43.1 | 0 | 0 | 0 | 113.1 | A209 Y414 G422 N424 D425 Y427 M429 D440 Y441 | A209-N438 VanDerWaalsContact CB-OD1 3.28Å; A209-N438 WeakPolarHBondContact CB-OD1 3.41Å; Y414-N438 HydrophobicContact CE1-CB 3.87Å; Y414-N438 WeakPolarHBondContact OH-CB 3.08Å; G422-N438 PolarHBondContact O-ND2 3.06Å; N424-N438 PolarHBondContact O-ND2 3.06Å; D425-N438 PolarHBondContact O-N 3.48Å; Y427-N438 PolarHBondContact O-N 2.69Å; Y427-N438 VanDerWaalsContact O-N 3.11Å; M429-N438 VanDerWaalsContact CG-OD1 3.23Å; M429-N438 WeakPolarHBondContact CG-OD1 3.11Å; N438-D440 VanDerWaalsContact C-N 3.26Å; N438-D440 PolarHBondContact O-N 3.47Å; N438-Y441 PolarHBondContact O-N 2.72Å; N438-Y441 VanDerWaalsContact O-N 3.1Å |
| 439 | G | 96.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | -67.6 | -25.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | R411 D425 R437 Y441 F442 | R411-G439 VanDerWaalsContact CZ-C 3.41Å; R411-G439 VanDerWaalsContact CZ-CA 3.49Å; R411-G439 PolarHBondContact NE-O 2.96Å; R411-G439 PolarHBondContact NH2-O 2.81Å; D425-G439 PolarHBondContact O-N 3.42Å; D425-G439 VanDerWaalsContact OD1-CA 3.3Å; D425-G439 WeakPolarHBondContact OD1-CA 3.33Å; R437-G439 PolarHBondContact O-N 2.91Å; G439-Y441 PolarHBondContact O-N 2.77Å; G439-Y441 VanDerWaalsContact O-N 3.13Å; G439-F442 PolarHBondContact O-N 3.15Å |
| 440 | D | 95.9 | Very high | 95.8 | Very high | 80 Ų | 80 | 22.9 Ų | 22.9 | 43% | 0.428 | 12% | 0.118 | S | C | . | . | G | 310 helix | trans | -68.2 | -8.9 | 175.6 | -69.4 | -18.8 | 0 | 0 | 0 | 112.9 | R437 N438 L443 | R437-D440 HydrophobicContact CB-CB 4.35Å; R437-D440 PolarHBondContact O-N 2.97Å; N438-D440 VanDerWaalsContact C-N 3.26Å; N438-D440 PolarHBondContact O-N 3.47Å; D440-L443 WeakPolarHBondContact O-CD2 3.34Å |
| 441 | Y | 97.2 | Very high | 95.7 | Very high | 13 Ų | 13 | 22.9 Ų | 22.9 | 5% | 0.051 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | -118.2 | 7.7 | 177.9 | -70.1 | -89.7 | 0 | 0 | 0 | 113.1 | F106 V216 M429 Y436 R437 N438 G439 L443 L448 | F106-Y441 AromaticContact CD2-CE1 3.97Å; F106-Y441 HydrophobicContact CD2-CE1 3.97Å; F106-Y441 HydrophobicContact CE2-CE1 4.09Å; V216-Y441 HydrophobicContact CG2-CD1 3.26Å; V216-Y441 HydrophobicContact CG2-CD2 3.68Å; V216-Y441 HydrophobicContact CG2-CE1 3.52Å; V216-Y441 HydrophobicContact CG2-CE2 3.96Å; V216-Y441 HydrophobicContact CG2-CG 3.34Å; M429-Y441 HydrophobicContact CE-CD2 3.78Å; M429-Y441 HydrophobicContact CE-CG 4.01Å; Y436-Y441 AromaticContact CD1-CE2 3.64Å; Y436-Y441 HydrophobicContact CD1-CE2 3.64Å; Y436-Y441 AromaticContact CD1-CZ 3.56Å; Y436-Y441 WeakPolarHBondContact CD1-OH 3.32Å; Y436-Y441 WeakPolarHBondContact CE1-OH 3.46Å; Y436-Y441 AromaticContact CG-CE2 3.97Å; Y436-Y441 HydrophobicContact CG-CE2 3.97Å; R437-Y441 WeakPolarHBondContact O-CD2 3.28Å; N438-Y441 PolarHBondContact O-N 2.72Å; N438-Y441 VanDerWaalsContact O-N 3.1Å; G439-Y441 PolarHBondContact O-N 2.77Å; G439-Y441 VanDerWaalsContact O-N 3.13Å; Y441-L443 PolarHBondContact O-N 2.91Å; Y441-L448 HydrophobicContact CD1-CD1 4.23Å; Y441-L448 HydrophobicContact CD1-CD2 3.99Å; Y441-L448 HydrophobicContact CE1-CD2 3.86Å |
| 442 | F | 97.6 | Very high | 95.7 | Very high | 9 Ų | 9 | 22.8 Ų | 22.8 | 4% | 0.039 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -81.4 | 62.1 | 167.4 | -167.7 | -109.1 | 0 | 0 | 0 | 111 | Y330 F400 W403 L404 P409 Y414 G439 | Y330-F442 AromaticContact CD1-CE2 3.99Å; Y330-F442 HydrophobicContact CD1-CE2 3.99Å; Y330-F442 HydrophobicContact CD1-CZ 4.26Å; Y330-F442 HydrophobicContact CD2-CD2 4.47Å; Y330-F442 AromaticContact CD2-CE2 3.37Å; Y330-F442 HydrophobicContact CD2-CE2 3.37Å; Y330-F442 AromaticContact CD2-CZ 3.82Å; Y330-F442 HydrophobicContact CD2-CZ 3.82Å; Y330-F442 HydrophobicContact CE1-CD2 4.45Å; Y330-F442 HydrophobicContact CE1-CE2 4.05Å; Y330-F442 HydrophobicContact CE2-CD2 4.17Å; Y330-F442 AromaticContact CE2-CE2 3.42Å; Y330-F442 HydrophobicContact CE2-CE2 3.42Å; Y330-F442 VanDerWaalsContact CE2-CE2 3.42Å; Y330-F442 HydrophobicContact CE2-CZ 4.32Å; Y330-F442 AromaticContact CG-CE2 3.66Å; Y330-F442 HydrophobicContact CG-CE2 3.66Å; Y330-F442 AromaticContact CG-CZ 3.78Å; Y330-F442 HydrophobicContact CG-CZ 3.78Å; Y330-F442 AromaticContact CZ-CE2 3.78Å; F400-F442 HydrophobicContact CE2-CD2 4.09Å; F400-F442 AromaticContact CE2-CE2 3.77Å; F400-F442 HydrophobicContact CE2-CE2 3.77Å; F400-F442 AromaticContact CZ-CD2 3.61Å; F400-F442 HydrophobicContact CZ-CD2 3.61Å; F400-F442 AromaticContact CZ-CE2 3.81Å; F400-F442 HydrophobicContact CZ-CE2 3.81Å; W403-F442 AromaticContact CH2-CZ 3.87Å; W403-F442 HydrophobicContact CH2-CZ 3.87Å; W403-F442 AromaticContact CZ3-CE2 3.95Å; W403-F442 HydrophobicContact CZ3-CE2 3.95Å; W403-F442 AromaticContact CZ3-CZ 3.57Å; W403-F442 HydrophobicContact CZ3-CZ 3.57Å; L404-F442 HydrophobicContact CD2-CE2 4.33Å; L404-F442 HydrophobicContact CD2-CZ 4.31Å; P409-F442 HydrophobicContact CB-CE1 4.25Å; P409-F442 HydrophobicContact CB-CZ 4.46Å; P409-F442 HydrophobicContact CG-CE1 3.83Å; P409-F442 HydrophobicContact CG-CZ 3.97Å; Y414-F442 HydrophobicContact CD2-CB 3.91Å; Y414-F442 HydrophobicContact CD2-CD1 4.43Å; Y414-F442 AromaticContact CD2-CD2 3.6Å; Y414-F442 HydrophobicContact CD2-CD2 3.6Å; Y414-F442 HydrophobicContact CD2-CE2 4.24Å; Y414-F442 AromaticContact CD2-CG 3.72Å; Y414-F442 HydrophobicContact CD2-CG 3.72Å; Y414-F442 HydrophobicContact CE2-CD2 4.38Å; Y414-F442 HydrophobicContact CG-CB 4.31Å; Y414-F442 HydrophobicContact CG-CG 4.24Å; G439-F442 PolarHBondContact O-N 3.15Å |
| 443 | L | 95.3 | Very high | 95.6 | Very high | 43 Ų | 43 | 23.3 Ų | 23.3 | 23% | 0.225 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -155.1 | 161 | -172.6 | 59.7 | 89.8 | 0 | 0 | 0 | 111.9 | R215 D440 Y441 V447 L448 | R215-L443 PolarHBondContact NH1-O 3Å; D440-L443 WeakPolarHBondContact O-CD2 3.34Å; Y441-L443 PolarHBondContact O-N 2.91Å; L443-V447 HydrophobicContact CD1-CB 3.6Å; L443-V447 HydrophobicContact CD1-CG1 3.85Å; L443-V447 HydrophobicContact CD1-CG2 4.24Å; L443-L448 HydrophobicContact CD1-CD1 4.21Å; L443-L448 HydrophobicContact CD1-CD2 4Å; L443-L448 HydrophobicContact CD1-CG 3.84Å |
| 444 | S | 95.2 | Very high | 95.6 | Very high | 37 Ų | 37 | 25.2 Ų | 25.2 | 26% | 0.259 | 13% | 0.129 | S | C | . | . | trans | -63 | 143.9 | -175.2 | 171.8 | 0 | 0 | 0 | 0 | 113.9 | E401 K446 V447 | E401-S444 PolarHBondContact OE1-OG 3.24Å; E401-S444 VanDerWaalsContact OE2-CA 3.26Å; E401-S444 WeakPolarHBondContact OE2-CA 3.17Å; E401-S444 PolarHBondContact OE2-OG 3.11Å; S444-K446 PolarHBondContact O-N 2.83Å; S444-K446 VanDerWaalsContact O-N 3.14Å; S444-K446 PolarHBondContact OG-N 3.38Å; S444-V447 WeakPolarHBondContact O-CB 3.39Å; S444-V447 PolarHBondContact O-N 3.24Å | ||
| 445 | N | 95.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -57 | -28.7 | 179.2 | -67 | -3.6 | 0 | 0 | 0 | 113.9 | R215 D397 E401 V447 L448 G449 Y450 Y452 | R215-N445 PolarHBondContact NE-OD1 3.35Å; R215-N445 PolarHBondContact NH1-OD1 3.17Å; R215-N445 VanDerWaalsContact NH1-OD1 3.11Å; R215-N445 PolarHBondContact NH2-OD1 3.5Å; D397-N445 PolarHBondContact OD2-ND2 3.38Å; E401-N445 HydrophobicContact CG-CB 4.35Å; E401-N445 PolarHBondContact OE2-N 3.12Å; E401-N445 PolarHBondContact OE2-OD1 2.92Å; N445-V447 PolarHBondContact O-N 2.87Å; N445-L448 CarbonylContact O-C 3.47Å; N445-L448 WeakPolarHBondContact O-CA 3.34Å; N445-L448 WeakPolarHBondContact O-CB 3.24Å; N445-L448 PolarHBondContact O-N 3.37Å; N445-G449 PolarHBondContact O-N 2.85Å; N445-G449 VanDerWaalsContact O-N 3.12Å; N445-Y450 CarbonylContact C-O 3.37Å; N445-Y450 HydrophobicContact CB-CD1 4.18Å; N445-Y450 HydrophobicContact CB-CD2 4.16Å; N445-Y450 HydrophobicContact CB-CE1 3.82Å; N445-Y450 HydrophobicContact CB-CE2 3.83Å; N445-Y450 HydrophobicContact CB-CG 4.35Å; N445-Y450 VanDerWaalsContact CB-O 3.31Å; N445-Y450 WeakPolarHBondContact CB-O 3.37Å; N445-Y450 VanDerWaalsContact CG-CE2 3.49Å; N445-Y450 WeakPolarHBondContact ND2-CE2 3.46Å; N445-Y450 VanDerWaalsContact ND2-CZ 3.31Å; N445-Y450 PolarHBondContact ND2-OH 3.06Å; N445-Y450 PolarHBondContact O-N 2.82Å; N445-Y450 VanDerWaalsContact O-O 3.09Å; N445-Y450 PolarHBondContact OD1-OH 3.36Å; N445-Y452 VanDerWaalsContact ND2-CE2 3.33Å; N445-Y452 WeakPolarHBondContact ND2-CE2 3.34Å |
| 446 | K | 91.1 | Very high | 95.3 | Very high | 68 Ų | 68 | 24.8 Ų | 24.8 | 30% | 0.296 | 13% | 0.126 | S | C | . | . | G | 310 helix | trans | -55.9 | -40.5 | 175.4 | -72 | -169.7 | 175 | -175.7 | 0 | 111.3 | Y116 S444 L448 G449 E451 | Y116-K446 PolarHBondContact OH-O 3.46Å; S444-K446 PolarHBondContact O-N 2.83Å; S444-K446 VanDerWaalsContact O-N 3.14Å; S444-K446 PolarHBondContact OG-N 3.38Å; K446-L448 PolarHBondContact O-N 2.93Å; K446-G449 PolarHBondContact O-N 3.09Å; K446-E451 WeakPolarHBondContact CE-OE2 3.18Å |
| 447 | V | 93.8 | Very high | 94.5 | Very high | 78 Ų | 78 | 27.7 Ų | 27.7 | 47% | 0.473 | 14% | 0.144 | S | C | . | . | G | 310 helix | trans | -66 | -26.3 | 178.2 | 179.5 | 0 | 0 | 0 | 0 | 111.9 | L443 S444 N445 G449 | L443-V447 HydrophobicContact CD1-CB 3.6Å; L443-V447 HydrophobicContact CD1-CG1 3.85Å; L443-V447 HydrophobicContact CD1-CG2 4.24Å; S444-V447 WeakPolarHBondContact O-CB 3.39Å; S444-V447 PolarHBondContact O-N 3.24Å; N445-V447 PolarHBondContact O-N 2.87Å; V447-G449 VanDerWaalsContact C-N 3.3Å |
| 448 | L | 96.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -88.7 | 1.4 | 177.3 | -55.4 | 173.1 | 0 | 0 | 0 | 112.4 | F106 G107 R215 L219 Y441 L443 N445 K446 Y450 | F106-L448 CarbonylContact C-O 3.56Å; F106-L448 VanDerWaalsContact C-O 3.3Å; F106-L448 HydrophobicContact CB-CB 4.43Å; G107-L448 WeakPolarHBondContact CA-O 3.11Å; G107-L448 PolarHBondContact N-O 2.99Å; G107-L448 VanDerWaalsContact N-O 3.13Å; R215-L448 HydrophobicContact CG-CD1 4.1Å; L219-L448 HydrophobicContact CD1-CB 4.29Å; L219-L448 HydrophobicContact CD1-CD1 3.91Å; Y441-L448 HydrophobicContact CD1-CD1 4.23Å; Y441-L448 HydrophobicContact CD1-CD2 3.99Å; Y441-L448 HydrophobicContact CE1-CD2 3.86Å; L443-L448 HydrophobicContact CD1-CD1 4.21Å; L443-L448 HydrophobicContact CD1-CD2 4Å; L443-L448 HydrophobicContact CD1-CG 3.84Å; N445-L448 CarbonylContact O-C 3.47Å; N445-L448 WeakPolarHBondContact O-CA 3.34Å; N445-L448 WeakPolarHBondContact O-CB 3.24Å; N445-L448 PolarHBondContact O-N 3.37Å; K446-L448 PolarHBondContact O-N 2.93Å; L448-Y450 HydrophobicContact CB-CD1 3.85Å; L448-Y450 HydrophobicContact CB-CE1 3.69Å; L448-Y450 HydrophobicContact CD1-CE1 4.04Å; L448-Y450 HydrophobicContact CG-CE1 4.5Å |
| 449 | G | 95.8 | Very high | 92 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 4% | 0.041 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 36.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | E118 S119 N445 K446 V447 | E118-G449 CarbonylContact C-O 3.47Å; E118-G449 VanDerWaalsContact CA-O 3.31Å; E118-G449 WeakPolarHBondContact CA-O 3.44Å; S119-G449 PolarHBondContact N-O 3.15Å; N445-G449 PolarHBondContact O-N 2.85Å; N445-G449 VanDerWaalsContact O-N 3.12Å; K446-G449 PolarHBondContact O-N 3.09Å; V447-G449 VanDerWaalsContact C-N 3.3Å |
| 450 | Y | 97.3 | Very high | 90.9 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 162 | 166.6 | 74.7 | -78 | 0 | 0 | 0 | 112.9 | S119 R121 L219 D397 N445 L448 Y452 | S119-Y450 CarbonylContact O-C 3.23Å; S119-Y450 WeakPolarHBondContact O-CA 3.3Å; S119-Y450 WeakPolarHBondContact O-CB 3.46Å; R121-Y450 HydrophobicContact CG-CD2 4.39Å; L219-Y450 HydrophobicContact CD1-CE1 4.08Å; L219-Y450 HydrophobicContact CD2-CD1 3.77Å; L219-Y450 HydrophobicContact CD2-CE1 3.71Å; L219-Y450 HydrophobicContact CG-CE1 4.19Å; D397-Y450 WeakPolarHBondContact OD2-CE2 3.45Å; D397-Y450 PolarHBondContact OD2-OH 3.45Å; N445-Y450 CarbonylContact C-O 3.37Å; N445-Y450 HydrophobicContact CB-CD1 4.18Å; N445-Y450 HydrophobicContact CB-CD2 4.16Å; N445-Y450 HydrophobicContact CB-CE1 3.82Å; N445-Y450 HydrophobicContact CB-CE2 3.83Å; N445-Y450 HydrophobicContact CB-CG 4.35Å; N445-Y450 VanDerWaalsContact CB-O 3.31Å; N445-Y450 WeakPolarHBondContact CB-O 3.37Å; N445-Y450 VanDerWaalsContact CG-CE2 3.49Å; N445-Y450 WeakPolarHBondContact ND2-CE2 3.46Å; N445-Y450 VanDerWaalsContact ND2-CZ 3.31Å; N445-Y450 PolarHBondContact ND2-OH 3.06Å; N445-Y450 PolarHBondContact O-N 2.82Å; N445-Y450 VanDerWaalsContact O-O 3.09Å; N445-Y450 PolarHBondContact OD1-OH 3.36Å; L448-Y450 HydrophobicContact CB-CD1 3.85Å; L448-Y450 HydrophobicContact CB-CE1 3.69Å; L448-Y450 HydrophobicContact CD1-CE1 4.04Å; L448-Y450 HydrophobicContact CG-CE1 4.5Å; Y450-Y452 HydrophobicContact CD2-CE2 4.42Å; Y450-Y452 AromaticContact CE2-CE2 3.83Å; Y450-Y452 HydrophobicContact CE2-CE2 3.83Å |
| 451 | E | 95.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 157.8 | -177.1 | -175.3 | 58.1 | -80.1 | 0 | 0 | 111.2 | E118 S119 V120 R121 R405 K446 L456 | E118-E451 HydrophobicContact CG-CB 4.16Å; E118-E451 WeakPolarHBondContact OE1-CB 3.22Å; S119-E451 PolarHBondContact O-N 3.33Å; V120-E451 CarbonylContact C-O 3.53Å; V120-E451 WeakPolarHBondContact CA-O 3.38Å; R121-E451 PolarHBondContact N-O 3.16Å; R405-E451 IonicContact CZ-OE1 2.72Å; R405-E451 IonicContact CZ-OE2 2.75Å; R405-E451 IonicContact NH1-OE1 3.26Å; R405-E451 IonicContact NH1-OE2 3.6Å; R405-E451 PolarHBondContact NH1-OE2 3.2Å; R405-E451 IonicContact NH2-OE1 2.63Å; R405-E451 PolarHBondContact NH2-OE1 2.82Å; R405-E451 IonicContact NH2-OE2 3.13Å; R405-E451 PolarHBondContact NH2-OE2 3.04Å; K446-E451 WeakPolarHBondContact CE-OE2 3.18Å; E451-L456 HydrophobicContact CB-CD2 4.3Å; E451-L456 HydrophobicContact CG-CD2 3.45Å; E451-L456 VanDerWaalsContact CG-CD2 3.45Å; E451-L456 HydrophobicContact CG-CG 4.1Å |
| 452 | Y | 96.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 131.1 | 172.6 | -72.6 | -80.9 | 0 | 0 | 0 | 111.3 | R121 Y238 A394 D397 S398 N445 Y450 Y454 L455 L456 | R121-Y452 HydrophobicContact CB-CD1 3.74Å; R121-Y452 HydrophobicContact CB-CE1 3.7Å; R121-Y452 HydrophobicContact CG-CE1 4.29Å; R121-Y452 PolarHBondContact NH1-OH 2.99Å; R121-Y452 VanDerWaalsContact NH1-OH 3.08Å; Y238-Y452 AromaticContact CD1-CD1 3.53Å; Y238-Y452 HydrophobicContact CD1-CD1 3.53Å; Y238-Y452 AromaticContact CD1-CE1 3.87Å; Y238-Y452 HydrophobicContact CD1-CE1 3.87Å; Y238-Y452 AromaticContact CE1-CD1 3.79Å; Y238-Y452 HydrophobicContact CE1-CD1 3.79Å; Y238-Y452 HydrophobicContact CG-CD1 4.33Å; Y238-Y452 HydrophobicContact CG-CE1 4.4Å; A394-Y452 WeakPolarHBondContact O-CE1 3.36Å; A394-Y452 PolarHBondContact O-OH 3.45Å; D397-Y452 WeakPolarHBondContact CB-OH 3.31Å; D397-Y452 WeakPolarHBondContact OD2-CE2 3.29Å; D397-Y452 PolarHBondContact OD2-OH 2.91Å; S398-Y452 VanDerWaalsContact CA-CE2 3.45Å; S398-Y452 VanDerWaalsContact CB-CD2 3.48Å; N445-Y452 VanDerWaalsContact ND2-CE2 3.33Å; N445-Y452 WeakPolarHBondContact ND2-CE2 3.34Å; Y450-Y452 HydrophobicContact CD2-CE2 4.42Å; Y450-Y452 AromaticContact CE2-CE2 3.83Å; Y450-Y452 HydrophobicContact CE2-CE2 3.83Å; Y452-Y454 PolarHBondContact O-N 3.33Å; Y452-L455 HydrophobicContact CD2-CD1 4.4Å; Y452-L455 WeakPolarHBondContact O-CA 3.45Å; Y452-L455 PolarHBondContact O-N 2.8Å; Y452-L456 PolarHBondContact O-N 2.03Å |
| 453 | A | 94.6 | Very high | 87.5 | Confident | 11 Ų | 11 | 45.8 Ų | 45.8 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -53.3 | -35.8 | -174 | 0 | 0 | 0 | 0 | 0 | 114.3 | V120 R121 R122 L455 | V120-A453 HydrophobicContact CG1-CB 3.82Å; R121-A453 PolarHBondContact O-N 2.88Å; R122-A453 HydrophobicContact CG-CB 4.36Å; A453-L455 VanDerWaalsContact C-N 3.32Å |
| 454 | Y | 92.8 | Very high | 86.6 | Confident | 45 Ų | 45 | 45.4 Ų | 45.4 | 18% | 0.176 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -80.6 | -12.1 | -179.5 | 81.4 | -85.9 | 0 | 0 | 0 | 114 | Y238 F395 S398 Y452 | Y238-Y454 HydrophobicContact CE1-CD1 4.32Å; Y238-Y454 HydrophobicContact CE2-CD1 4.11Å; Y238-Y454 HydrophobicContact CE2-CE1 4.34Å; Y238-Y454 AromaticContact CZ-CD1 3.66Å; Y238-Y454 VanDerWaalsContact OH-CD1 3.32Å; Y238-Y454 WeakPolarHBondContact OH-CD1 3.27Å; F395-Y454 HydrophobicContact CE2-CE1 4.47Å; S398-Y454 WeakPolarHBondContact CB-OH 3.4Å; S398-Y454 WeakPolarHBondContact OG-CE1 3.44Å; S398-Y454 PolarHBondContact OG-OH 3.36Å; Y452-Y454 PolarHBondContact O-N 3.33Å |
| 455 | L | 92.8 | Very high | 85.6 | Confident | 26 Ų | 26 | 47.5 Ų | 47.5 | 14% | 0.136 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -99.3 | -1.7 | 176.4 | -62.7 | -178.2 | 0 | 0 | 0 | 112.5 | E401 R402 R405 Y452 A453 | E401-L455 HydrophobicContact CB-CD1 4.18Å; E401-L455 HydrophobicContact CG-CD1 3.9Å; R402-L455 HydrophobicContact CB-CD2 4.4Å; R402-L455 HydrophobicContact CG-CD2 4.48Å; R405-L455 PolarHBondContact NH1-O 3.01Å; Y452-L455 HydrophobicContact CD2-CD1 4.4Å; Y452-L455 WeakPolarHBondContact O-CA 3.45Å; Y452-L455 PolarHBondContact O-N 2.8Å; A453-L455 VanDerWaalsContact C-N 3.32Å |
| 456 | L | 89 | Confident | 84.4 | Confident | 15 Ų | 15 | 53 Ų | 53 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -62.4 | 146.1 | 175.1 | -72.4 | 172.4 | 0 | 0 | 0 | 111.5 | V120 E451 Y452 Q460 R461 Q464 | V120-L456 HydrophobicContact CG1-CD1 4.24Å; E451-L456 HydrophobicContact CB-CD2 4.3Å; E451-L456 HydrophobicContact CG-CD2 3.45Å; E451-L456 VanDerWaalsContact CG-CD2 3.45Å; E451-L456 HydrophobicContact CG-CG 4.1Å; Y452-L456 PolarHBondContact O-N 2.03Å; L456-Q460 HydrophobicContact CB-CB 4.05Å; L456-Q460 HydrophobicContact CD2-CB 4.04Å; L456-Q460 HydrophobicContact CG-CB 4.45Å; L456-R461 HydrophobicContact CB-CB 4.06Å; L456-Q464 HydrophobicContact CD1-CB 3.84Å; L456-Q464 HydrophobicContact CD1-CG 4.03Å |
| 457 | D | 79.9 | Confident | 83.4 | Confident | 89 Ų | 89 | 52.1 Ų | 52.1 | 48% | 0.476 | 28% | 0.278 | S | S | . | . | trans | -59.5 | 150.5 | 172 | -67.6 | -48.2 | 0 | 0 | 0 | 110.2 | G459 Q460 R461 | D457-G459 PolarHBondContact O-N 3.4Å; D457-Q460 HydrophobicContact CB-CG 4.48Å; D457-Q460 WeakPolarHBondContact O-CA 3.25Å; D457-Q460 WeakPolarHBondContact O-CB 3.12Å; D457-Q460 PolarHBondContact O-N 2.47Å; D457-R461 WeakPolarHBondContact O-CB 3.45Å; D457-R461 PolarHBondContact O-N 3.18Å | ||
| 458 | P | 74.8 | Confident | 82.6 | Confident | 111 Ų | 111 | 49.9 Ų | 49.9 | 72% | 0.721 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -52 | -38.2 | -171.8 | -29 | 34.5 | 0 | 0 | 0 | 114.8 | F462 | P458-F462 PolarHBondContact O-N 2.8Å |
| 459 | G | 68.9 | Low | 81.5 | Confident | 52 Ų | 52 | 51.9 Ų | 51.9 | 54% | 0.536 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -69.5 | -40.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D457 F462 V463 | D457-G459 PolarHBondContact O-N 3.4Å; G459-F462 PolarHBondContact O-N 3.29Å; G459-V463 WeakPolarHBondContact O-CG2 3.31Å; G459-V463 PolarHBondContact O-N 2.99Å |
| 460 | Q | 73.7 | Confident | 80.4 | Confident | 80 Ų | 80 | 59.5 Ų | 59.5 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69 | -40 | 175.9 | -66.6 | 179.4 | -40.9 | 0 | 0 | 111.1 | L456 D457 F462 V463 Q464 | L456-Q460 HydrophobicContact CB-CB 4.05Å; L456-Q460 HydrophobicContact CD2-CB 4.04Å; L456-Q460 HydrophobicContact CG-CB 4.45Å; D457-Q460 HydrophobicContact CB-CG 4.48Å; D457-Q460 WeakPolarHBondContact O-CA 3.25Å; D457-Q460 WeakPolarHBondContact O-CB 3.12Å; D457-Q460 PolarHBondContact O-N 2.47Å; Q460-F462 VanDerWaalsContact C-N 3.34Å; Q460-F462 PolarHBondContact O-N 3.16Å; Q460-V463 PolarHBondContact O-N 3.33Å; Q460-Q464 WeakPolarHBondContact O-CB 3.2Å; Q460-Q464 PolarHBondContact O-N 3.09Å |
| 461 | R | 74 | Confident | 79.2 | Confident | 105 Ų | 105 | 64.7 Ų | 64.7 | 40% | 0.396 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 175.2 | -170.4 | 175.9 | 178.5 | -178.8 | -0.7 | 111.6 | L456 D457 V463 Q464 E465 | L456-R461 HydrophobicContact CB-CB 4.06Å; D457-R461 WeakPolarHBondContact O-CB 3.45Å; D457-R461 PolarHBondContact O-N 3.18Å; R461-V463 PolarHBondContact O-N 3.36Å; R461-Q464 PolarHBondContact O-N 3.47Å; R461-E465 HydrophobicContact CG-CG 4.17Å; R461-E465 IonicContact CZ-OE1 3.95Å; R461-E465 IonicContact NE-OE1 3.37Å; R461-E465 PolarHBondContact NE-OE1 2.61Å; R461-E465 IonicContact NE-OE2 3.9Å; R461-E465 PolarHBondContact NE-OE2 2.8Å; R461-E465 IonicContact NH2-OE1 3.46Å; R461-E465 PolarHBondContact NH2-OE1 2.79Å; R461-E465 IonicContact NH2-OE2 2.59Å; R461-E465 WeakPolarHBondContact O-CB 3.36Å; R461-E465 PolarHBondContact O-N 3.48Å |
| 462 | F | 72.3 | Confident | 78.1 | Confident | 120 Ų | 120 | 69.2 Ų | 69.2 | 53% | 0.526 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.5 | -47 | 174.2 | 175.4 | -98.7 | 0 | 0 | 0 | 111.9 | P458 G459 Q460 Q464 F466 V467 | P458-F462 PolarHBondContact O-N 2.8Å; G459-F462 PolarHBondContact O-N 3.29Å; Q460-F462 VanDerWaalsContact C-N 3.34Å; Q460-F462 PolarHBondContact O-N 3.16Å; F462-Q464 VanDerWaalsContact C-N 3.34Å; F462-Q464 PolarHBondContact O-N 3.25Å; F462-F466 HydrophobicContact CD2-CB 4.17Å; F462-F466 AromaticContact CD2-CD2 3.77Å; F462-F466 HydrophobicContact CD2-CD2 3.77Å; F462-F466 HydrophobicContact CD2-CE2 4.48Å; F462-F466 HydrophobicContact CD2-CG 4.13Å; F462-F466 HydrophobicContact CE2-CB 3.99Å; F462-F466 HydrophobicContact CE2-CD2 4.24Å; F462-F466 HydrophobicContact CE2-CG 4.15Å; F462-F466 HydrophobicContact CZ-CB 4.43Å; F462-F466 WeakPolarHBondContact O-CA 3.45Å; F462-F466 VanDerWaalsContact O-CB 3.31Å; F462-F466 WeakPolarHBondContact O-CB 3.2Å; F462-F466 PolarHBondContact O-N 2.99Å; F462-V467 HydrophobicContact CD1-CG2 4.17Å; F462-V467 HydrophobicContact CE1-CG2 3.75Å; F462-V467 HydrophobicContact CZ-CG2 4.41Å |
| 463 | V | 71.1 | Confident | 76.9 | Confident | 71 Ų | 71 | 74.7 Ų | 74.7 | 43% | 0.43 | 38% | 0.38 | S | S | . | . | I | π-helix | trans | -60.1 | -47.7 | 176.5 | 175.1 | 0 | 0 | 0 | 0 | 110.3 | G459 Q460 R461 V467 T468 | G459-V463 WeakPolarHBondContact O-CG2 3.31Å; G459-V463 PolarHBondContact O-N 2.99Å; Q460-V463 PolarHBondContact O-N 3.33Å; R461-V463 PolarHBondContact O-N 3.36Å; V463-V467 HydrophobicContact CG1-CB 4.27Å; V463-V467 CarbonylContact O-C 3.36Å; V463-V467 WeakPolarHBondContact O-CA 3.46Å; V463-V467 WeakPolarHBondContact O-CB 3.25Å; V463-V467 PolarHBondContact O-N 3.4Å; V463-T468 PolarHBondContact O-N 2.78Å; V463-T468 PolarHBondContact O-OG1 3.27Å; V463-T468 VanDerWaalsContact O-OG1 3.1Å |
| 464 | Q | 76.9 | Confident | 75.8 | Confident | 35 Ų | 35 | 76.6 Ų | 76.6 | 16% | 0.164 | 40% | 0.396 | C | S | . | . | I | π-helix | trans | -67.2 | -43 | -175.7 | -172 | 61.9 | 15.1 | 0 | 0 | 113.7 | V120 L456 Q460 R461 F462 | V120-Q464 HydrophobicContact CG1-CG 4.41Å; L456-Q464 HydrophobicContact CD1-CB 3.84Å; L456-Q464 HydrophobicContact CD1-CG 4.03Å; Q460-Q464 WeakPolarHBondContact O-CB 3.2Å; Q460-Q464 PolarHBondContact O-N 3.09Å; R461-Q464 PolarHBondContact O-N 3.47Å; F462-Q464 VanDerWaalsContact C-N 3.34Å; F462-Q464 PolarHBondContact O-N 3.25Å |
| 465 | E | 74 | Confident | 74.9 | Confident | 82 Ų | 82 | 81.8 Ų | 81.8 | 38% | 0.383 | 42% | 0.42 | S | S | . | . | I | π-helix | trans | -83.7 | -33.2 | -176.7 | -70.1 | -178.5 | 175 | 0 | 0 | 112.5 | R461 | R461-E465 HydrophobicContact CG-CG 4.17Å; R461-E465 IonicContact CZ-OE1 3.95Å; R461-E465 IonicContact NE-OE1 3.37Å; R461-E465 PolarHBondContact NE-OE1 2.61Å; R461-E465 IonicContact NE-OE2 3.9Å; R461-E465 PolarHBondContact NE-OE2 2.8Å; R461-E465 IonicContact NH2-OE1 3.46Å; R461-E465 PolarHBondContact NH2-OE1 2.79Å; R461-E465 IonicContact NH2-OE2 2.59Å; R461-E465 WeakPolarHBondContact O-CB 3.36Å; R461-E465 PolarHBondContact O-N 3.48Å |
| 466 | F | 70.1 | Confident | 73.9 | Confident | 115 Ų | 115 | 87 Ų | 87 | 50% | 0.504 | 44% | 0.444 | S | S | . | . | I | π-helix | trans | -116.3 | -25.6 | -170.4 | -62.8 | -89.5 | 0 | 0 | 0 | 115.1 | F462 Y470 | F462-F466 HydrophobicContact CD2-CB 4.17Å; F462-F466 AromaticContact CD2-CD2 3.77Å; F462-F466 HydrophobicContact CD2-CD2 3.77Å; F462-F466 HydrophobicContact CD2-CE2 4.48Å; F462-F466 HydrophobicContact CD2-CG 4.13Å; F462-F466 HydrophobicContact CE2-CB 3.99Å; F462-F466 HydrophobicContact CE2-CD2 4.24Å; F462-F466 HydrophobicContact CE2-CG 4.15Å; F462-F466 HydrophobicContact CZ-CB 4.43Å; F462-F466 WeakPolarHBondContact O-CA 3.45Å; F462-F466 VanDerWaalsContact O-CB 3.31Å; F462-F466 WeakPolarHBondContact O-CB 3.2Å; F462-F466 PolarHBondContact O-N 2.99Å; F466-Y470 WeakPolarHBondContact O-CD2 3.01Å; F466-Y470 WeakPolarHBondContact O-CE2 3.41Å |
| 467 | V | 71.3 | Confident | 73.3 | Confident | 49 Ų | 49 | 90.3 Ų | 90.3 | 30% | 0.297 | 46% | 0.46 | S | S | . | . | I | π-helix | trans | -100.2 | -46.9 | -175.8 | -177.9 | 0 | 0 | 0 | 0 | 110.9 | F462 V463 Y470 L471 | F462-V467 HydrophobicContact CD1-CG2 4.17Å; F462-V467 HydrophobicContact CE1-CG2 3.75Å; F462-V467 HydrophobicContact CZ-CG2 4.41Å; V463-V467 HydrophobicContact CG1-CB 4.27Å; V463-V467 CarbonylContact O-C 3.36Å; V463-V467 WeakPolarHBondContact O-CA 3.46Å; V463-V467 WeakPolarHBondContact O-CB 3.25Å; V463-V467 PolarHBondContact O-N 3.4Å; V467-Y470 PolarHBondContact O-N 3.44Å; V467-L471 HydrophobicContact CG1-CD1 3.76Å; V467-L471 HydrophobicContact CG1-CG 4.08Å; V467-L471 WeakPolarHBondContact O-CG 3.29Å; V467-L471 PolarHBondContact O-N 2.89Å |
| 468 | T | 75.6 | Confident | 73.2 | Confident | 31 Ų | 31 | 94 Ų | 94 | 19% | 0.19 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -55.1 | -47.1 | -177.7 | -53.3 | 0 | 0 | 0 | 0 | 112.9 | V463 Y470 L471 E472 | V463-T468 PolarHBondContact O-N 2.78Å; V463-T468 PolarHBondContact O-OG1 3.27Å; V463-T468 VanDerWaalsContact O-OG1 3.1Å; T468-Y470 VanDerWaalsContact C-N 3.32Å; T468-Y470 PolarHBondContact O-N 2.84Å; T468-L471 PolarHBondContact O-N 3.25Å; T468-E472 HydrophobicContact CG2-CG 4.47Å; T468-E472 WeakPolarHBondContact O-CG 3.37Å; T468-E472 PolarHBondContact O-N 3.07Å |
| 469 | P | 74.9 | Confident | 73.3 | Confident | 47 Ų | 47 | 95.5 Ų | 95.5 | 31% | 0.305 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.7 | -38.4 | 179.9 | -23.3 | 35 | 0 | 0 | 0 | 113.3 | E472 Q473 | P469-E472 PolarHBondContact O-N 2.9Å; P469-Q473 WeakPolarHBondContact O-CB 3.4Å; P469-Q473 PolarHBondContact O-N 3.48Å |
| 470 | Y | 71.8 | Confident | 73.9 | Confident | 164 Ų | 164 | 103.1 Ų | 103.1 | 64% | 0.643 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -69.3 | -38.1 | 177.3 | -76.5 | -95.7 | 0 | 0 | 0 | 111.8 | F466 V467 T468 A474 | F466-Y470 WeakPolarHBondContact O-CD2 3.01Å; F466-Y470 WeakPolarHBondContact O-CE2 3.41Å; V467-Y470 PolarHBondContact O-N 3.44Å; T468-Y470 VanDerWaalsContact C-N 3.32Å; T468-Y470 PolarHBondContact O-N 2.84Å; Y470-A474 WeakPolarHBondContact O-CB 3.48Å; Y470-A474 PolarHBondContact O-N 3.04Å |
| 471 | L | 71.2 | Confident | 74.2 | Confident | 111 Ų | 111 | 104.1 Ų | 104.1 | 58% | 0.581 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.5 | -41.5 | 176 | -72.3 | 175.9 | 0 | 0 | 0 | 111.8 | V467 T468 A474 K475 | V467-L471 HydrophobicContact CG1-CD1 3.76Å; V467-L471 HydrophobicContact CG1-CG 4.08Å; V467-L471 WeakPolarHBondContact O-CG 3.29Å; V467-L471 PolarHBondContact O-N 2.89Å; T468-L471 PolarHBondContact O-N 3.25Å; L471-A474 PolarHBondContact O-N 3.4Å; L471-K475 WeakPolarHBondContact O-CB 3.39Å; L471-K475 PolarHBondContact O-N 2.68Å |
| 472 | E | 73.9 | Confident | 74.7 | Confident | 95 Ų | 95 | 103.5 Ų | 103.5 | 44% | 0.444 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.8 | -49 | 175.5 | -73.2 | -177 | 158.5 | 0 | 0 | 111.2 | T468 P469 A474 K475 E476 | T468-E472 HydrophobicContact CG2-CG 4.47Å; T468-E472 WeakPolarHBondContact O-CG 3.37Å; T468-E472 PolarHBondContact O-N 3.07Å; P469-E472 PolarHBondContact O-N 2.9Å; E472-A474 VanDerWaalsContact C-N 3.31Å; E472-A474 PolarHBondContact O-N 2.87Å; E472-K475 WeakPolarHBondContact O-CB 3.31Å; E472-K475 PolarHBondContact O-N 2.98Å; E472-K475 VanDerWaalsContact O-N 3.09Å; E472-E476 PolarHBondContact O-N 3.13Å |
| 473 | Q | 71.4 | Confident | 75.2 | Confident | 114 Ų | 114 | 99.7 Ų | 99.7 | 53% | 0.533 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.1 | -42.3 | 176.2 | -168.3 | 178.8 | 15 | 0 | 0 | 111.6 | P469 K475 E476 I477 | P469-Q473 WeakPolarHBondContact O-CB 3.4Å; P469-Q473 PolarHBondContact O-N 3.48Å; Q473-K475 VanDerWaalsContact C-N 3.32Å; Q473-K475 PolarHBondContact O-N 3.02Å; Q473-E476 PolarHBondContact O-N 3.03Å; Q473-I477 HydrophobicContact CG-CD1 3.98Å; Q473-I477 WeakPolarHBondContact O-CD1 3.19Å; Q473-I477 VanDerWaalsContact O-CG1 3.24Å; Q473-I477 WeakPolarHBondContact O-CG1 3.27Å; Q473-I477 PolarHBondContact O-N 3.47Å |
| 474 | A | 71.1 | Confident | 75.9 | Confident | 51 Ų | 51 | 99.2 Ų | 99.2 | 42% | 0.421 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y470 L471 E472 I477 W478 | Y470-A474 WeakPolarHBondContact O-CB 3.48Å; Y470-A474 PolarHBondContact O-N 3.04Å; L471-A474 PolarHBondContact O-N 3.4Å; E472-A474 VanDerWaalsContact C-N 3.31Å; E472-A474 PolarHBondContact O-N 2.87Å; A474-I477 PolarHBondContact O-N 2.95Å; A474-W478 VanDerWaalsContact O-CB 3.23Å; A474-W478 WeakPolarHBondContact O-CB 3.49Å; A474-W478 PolarHBondContact O-N 2.88Å |
| 475 | K | 74.1 | Confident | 76.4 | Confident | 154 Ų | 154 | 99.7 Ų | 99.7 | 67% | 0.67 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.7 | -40.2 | 178.9 | -166.1 | 178.5 | -178.4 | -176.8 | 0 | 112.1 | L471 E472 Q473 W478 Q479 | L471-K475 WeakPolarHBondContact O-CB 3.39Å; L471-K475 PolarHBondContact O-N 2.68Å; E472-K475 WeakPolarHBondContact O-CB 3.31Å; E472-K475 PolarHBondContact O-N 2.98Å; E472-K475 VanDerWaalsContact O-N 3.09Å; Q473-K475 VanDerWaalsContact C-N 3.32Å; Q473-K475 PolarHBondContact O-N 3.02Å; K475-W478 PolarHBondContact O-N 3.45Å; K475-Q479 PolarHBondContact O-N 3.06Å |
| 476 | E | 72.8 | Confident | 77.2 | Confident | 137 Ų | 137 | 101.1 Ų | 101.1 | 64% | 0.64 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.9 | -45.4 | 173.6 | -71 | -169.2 | 159.7 | 0 | 0 | 111.8 | E472 Q473 W478 Q479 | E472-E476 PolarHBondContact O-N 3.13Å; Q473-E476 PolarHBondContact O-N 3.03Å; E476-W478 VanDerWaalsContact C-N 3.31Å; E476-W478 PolarHBondContact O-N 3.03Å; E476-Q479 PolarHBondContact O-N 3.39Å |
| 477 | I | 76.6 | Confident | 78.2 | Confident | 84 Ų | 84 | 100.6 Ų | 100.6 | 43% | 0.431 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65 | -37.1 | 178 | -66 | 166.4 | 0 | 0 | 0 | 111 | Q473 A474 Q479 W480 L481 | Q473-I477 HydrophobicContact CG-CD1 3.98Å; Q473-I477 WeakPolarHBondContact O-CD1 3.19Å; Q473-I477 VanDerWaalsContact O-CG1 3.24Å; Q473-I477 WeakPolarHBondContact O-CG1 3.27Å; Q473-I477 PolarHBondContact O-N 3.47Å; A474-I477 PolarHBondContact O-N 2.95Å; I477-Q479 VanDerWaalsContact C-N 3.29Å; I477-Q479 PolarHBondContact O-N 2.89Å; I477-W480 WeakPolarHBondContact O-CB 3.35Å; I477-W480 PolarHBondContact O-N 3.31Å; I477-W480 VanDerWaalsContact O-N 3.12Å; I477-L481 HydrophobicContact CG2-CD1 3.73Å; I477-L481 HydrophobicContact CG2-CG 3.94Å; I477-L481 WeakPolarHBondContact O-CG 3.3Å; I477-L481 PolarHBondContact O-N 2.89Å |
| 478 | W | 75.9 | Confident | 79.1 | Confident | 166 Ų | 166 | 100 Ų | 100 | 63% | 0.629 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.8 | -36.6 | -177.3 | -163.5 | -104.9 | 0 | 0 | 0 | 112.6 | A474 K475 E476 L481 L482 | A474-W478 VanDerWaalsContact O-CB 3.23Å; A474-W478 WeakPolarHBondContact O-CB 3.49Å; A474-W478 PolarHBondContact O-N 2.88Å; K475-W478 PolarHBondContact O-N 3.45Å; E476-W478 VanDerWaalsContact C-N 3.31Å; E476-W478 PolarHBondContact O-N 3.03Å; W478-L481 HydrophobicContact CE3-CD1 4.36Å; W478-L481 PolarHBondContact O-N 2.58Å; W478-L482 VanDerWaalsContact CD1-CD1 3.43Å; W478-L482 HydrophobicContact CG-CD1 4.41Å; W478-L482 WeakPolarHBondContact O-CB 3.44Å; W478-L482 WeakPolarHBondContact O-CG 3.31Å; W478-L482 PolarHBondContact O-N 3.42Å |
| 479 | Q | 76.8 | Confident | 79.7 | Confident | 143 Ų | 143 | 101.1 Ų | 101.1 | 67% | 0.668 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.9 | -42.3 | 174.9 | -68.6 | -174.3 | -17.7 | 0 | 0 | 111.9 | K475 E476 I477 G483 | K475-Q479 PolarHBondContact O-N 3.06Å; E476-Q479 PolarHBondContact O-N 3.39Å; I477-Q479 VanDerWaalsContact C-N 3.29Å; I477-Q479 PolarHBondContact O-N 2.89Å; Q479-G483 PolarHBondContact O-N 2.8Å |
| 480 | W | 82.6 | Confident | 80.6 | Confident | 211 Ų | 211 | 103.6 Ų | 103.6 | 80% | 0.799 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.8 | -42.9 | 175.4 | -74.9 | 105.3 | 0 | 0 | 0 | 112.6 | I477 G483 A484 | I477-W480 WeakPolarHBondContact O-CB 3.35Å; I477-W480 PolarHBondContact O-N 3.31Å; I477-W480 VanDerWaalsContact O-N 3.12Å; W480-G483 PolarHBondContact O-N 2.93Å; W480-A484 WeakPolarHBondContact O-CB 3.4Å; W480-A484 PolarHBondContact O-N 3Å |
| 481 | L | 80.6 | Confident | 81.6 | Confident | 101 Ų | 101 | 100.7 Ų | 100.7 | 53% | 0.529 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 177.6 | -72 | 175.5 | 0 | 0 | 0 | 112 | I477 W478 A484 G485 | I477-L481 HydrophobicContact CG2-CD1 3.73Å; I477-L481 HydrophobicContact CG2-CG 3.94Å; I477-L481 WeakPolarHBondContact O-CG 3.3Å; I477-L481 PolarHBondContact O-N 2.89Å; W478-L481 HydrophobicContact CE3-CD1 4.36Å; W478-L481 PolarHBondContact O-N 2.58Å; L481-A484 PolarHBondContact O-N 2.78Å; L481-G485 PolarHBondContact O-N 3.46Å |
| 482 | L | 82.8 | Confident | 82.5 | Confident | 93 Ų | 93 | 98.2 Ų | 98.2 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 173.9 | -76.6 | 172.1 | 0 | 0 | 0 | 111.5 | W478 G485 I486 | W478-L482 VanDerWaalsContact CD1-CD1 3.43Å; W478-L482 HydrophobicContact CG-CD1 4.41Å; W478-L482 WeakPolarHBondContact O-CB 3.44Å; W478-L482 WeakPolarHBondContact O-CG 3.31Å; W478-L482 PolarHBondContact O-N 3.42Å; L482-G485 PolarHBondContact O-N 2.81Å; L482-I486 WeakPolarHBondContact O-CG1 3.45Å; L482-I486 PolarHBondContact O-N 3.23Å |
| 483 | G | 82.9 | Confident | 83.3 | Confident | 39 Ų | 39 | 97 Ų | 97 | 40% | 0.402 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60 | -45.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q479 W480 G485 I486 L487 | Q479-G483 PolarHBondContact O-N 2.8Å; W480-G483 PolarHBondContact O-N 2.93Å; G483-G485 PolarHBondContact O-N 3.47Å; G483-I486 PolarHBondContact O-N 3.08Å; G483-L487 WeakPolarHBondContact O-CB 3.46Å; G483-L487 PolarHBondContact O-N 3.17Å |
| 484 | A | 86.4 | Confident | 84.3 | Confident | 61 Ų | 61 | 96.6 Ų | 96.6 | 50% | 0.504 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | W480 L481 L487 G488 | W480-A484 WeakPolarHBondContact O-CB 3.4Å; W480-A484 PolarHBondContact O-N 3Å; L481-A484 PolarHBondContact O-N 2.78Å; A484-L487 PolarHBondContact O-N 2.75Å; A484-G488 PolarHBondContact O-N 3.15Å |
| 485 | G | 87.4 | Confident | 85.3 | Confident | 45 Ų | 45 | 100.9 Ų | 100.9 | 46% | 0.464 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L481 L482 G483 G488 A489 | L481-G485 PolarHBondContact O-N 3.46Å; L482-G485 PolarHBondContact O-N 2.81Å; G483-G485 PolarHBondContact O-N 3.47Å; G485-G488 PolarHBondContact O-N 2.78Å; G485-A489 WeakPolarHBondContact O-CB 3.13Å; G485-A489 PolarHBondContact O-N 2.84Å |
| 486 | I | 91.6 | Very high | 86 | Confident | 112 Ų | 112 | 96.2 Ų | 96.2 | 57% | 0.574 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.2 | -45.6 | 176.1 | -67.9 | 167.6 | 0 | 0 | 0 | 110.6 | L482 G483 G488 A489 L490 | L482-I486 WeakPolarHBondContact O-CG1 3.45Å; L482-I486 PolarHBondContact O-N 3.23Å; G483-I486 PolarHBondContact O-N 3.08Å; I486-G488 PolarHBondContact O-N 3.17Å; I486-A489 PolarHBondContact O-N 3.3Å; I486-L490 HydrophobicContact CG2-CD1 4.15Å; I486-L490 WeakPolarHBondContact O-CG 3.46Å; I486-L490 PolarHBondContact O-N 3.16Å |
| 487 | L | 89.8 | Confident | 86.9 | Confident | 104 Ų | 104 | 94.3 Ų | 94.3 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 178.3 | -174.8 | 64.1 | 0 | 0 | 0 | 111.7 | G483 A484 A489 L490 I491 | G483-L487 WeakPolarHBondContact O-CB 3.46Å; G483-L487 PolarHBondContact O-N 3.17Å; A484-L487 PolarHBondContact O-N 2.75Å; L487-A489 PolarHBondContact O-N 2.87Å; L487-L490 PolarHBondContact O-N 2.75Å; L487-I491 HydrophobicContact CD1-CD1 4.47Å; L487-I491 HydrophobicContact CG-CD1 4.1Å; L487-I491 VanDerWaalsContact O-CG1 3.32Å; L487-I491 WeakPolarHBondContact O-CG1 3.28Å; L487-I491 PolarHBondContact O-N 3.25Å |
| 488 | G | 90.4 | Very high | 87.5 | Confident | 37 Ų | 37 | 95.3 Ų | 95.3 | 38% | 0.381 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A484 G485 I486 L490 I491 A492 | A484-G488 PolarHBondContact O-N 3.15Å; G485-G488 PolarHBondContact O-N 2.78Å; I486-G488 PolarHBondContact O-N 3.17Å; G488-L490 PolarHBondContact O-N 3.44Å; G488-I491 PolarHBondContact O-N 3.36Å; G488-A492 WeakPolarHBondContact O-CB 3.39Å; G488-A492 PolarHBondContact O-N 2.99Å |
| 489 | A | 89.9 | Confident | 88 | Confident | 55 Ų | 55 | 90.3 Ų | 90.3 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.1 | -38.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G485 I486 L487 S493 | G485-A489 WeakPolarHBondContact O-CB 3.13Å; G485-A489 PolarHBondContact O-N 2.84Å; I486-A489 PolarHBondContact O-N 3.3Å; L487-A489 PolarHBondContact O-N 2.87Å; A489-S493 WeakPolarHBondContact O-CB 3.48Å; A489-S493 PolarHBondContact O-N 2.78Å; A489-S493 PolarHBondContact O-OG 2.71Å |
| 490 | L | 92.9 | Very high | 88.6 | Confident | 99 Ų | 99 | 87 Ų | 87 | 52% | 0.518 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.1 | -47.1 | 175 | -76.7 | 168.3 | 0 | 0 | 0 | 111.7 | I486 L487 G488 A492 S493 I494 | I486-L490 HydrophobicContact CG2-CD1 4.15Å; I486-L490 WeakPolarHBondContact O-CG 3.46Å; I486-L490 PolarHBondContact O-N 3.16Å; L487-L490 PolarHBondContact O-N 2.75Å; G488-L490 PolarHBondContact O-N 3.44Å; L490-A492 PolarHBondContact O-N 2.75Å; L490-S493 PolarHBondContact O-N 3.3Å; L490-I494 WeakPolarHBondContact O-CG1 3.31Å; L490-I494 PolarHBondContact O-N 3.31Å |
| 491 | I | 92.4 | Very high | 88.7 | Confident | 102 Ų | 102 | 83.1 Ų | 83.1 | 52% | 0.523 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 177.8 | -67.7 | 167.6 | 0 | 0 | 0 | 110.5 | L487 G488 S493 I494 F495 | L487-I491 HydrophobicContact CD1-CD1 4.47Å; L487-I491 HydrophobicContact CG-CD1 4.1Å; L487-I491 VanDerWaalsContact O-CG1 3.32Å; L487-I491 WeakPolarHBondContact O-CG1 3.28Å; L487-I491 PolarHBondContact O-N 3.25Å; G488-I491 PolarHBondContact O-N 3.36Å; I491-S493 VanDerWaalsContact C-N 3.29Å; I491-S493 PolarHBondContact O-N 3.19Å; I491-I494 PolarHBondContact O-N 2.89Å; I491-F495 WeakPolarHBondContact O-CB 3.43Å; I491-F495 PolarHBondContact O-N 3.37Å |
| 492 | A | 91 | Very high | 88.7 | Confident | 59 Ų | 59 | 81 Ų | 81 | 49% | 0.488 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.4 | -40 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | G488 L490 F495 A496 | G488-A492 WeakPolarHBondContact O-CB 3.39Å; G488-A492 PolarHBondContact O-N 2.99Å; L490-A492 PolarHBondContact O-N 2.75Å; A492-F495 PolarHBondContact O-N 3.01Å; A492-A496 WeakPolarHBondContact O-CB 3.27Å; A492-A496 PolarHBondContact O-N 2.96Å |
| 493 | S | 90.4 | Very high | 88.6 | Confident | 71 Ų | 71 | 85 Ų | 85 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.2 | -45.1 | 177.2 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | A489 L490 I491 F495 A496 V497 | A489-S493 WeakPolarHBondContact O-CB 3.48Å; A489-S493 PolarHBondContact O-N 2.78Å; A489-S493 PolarHBondContact O-OG 2.71Å; L490-S493 PolarHBondContact O-N 3.3Å; I491-S493 VanDerWaalsContact C-N 3.29Å; I491-S493 PolarHBondContact O-N 3.19Å; S493-F495 VanDerWaalsContact C-N 3.33Å; S493-F495 PolarHBondContact O-N 2.77Å; S493-A496 PolarHBondContact O-N 2.8Å; S493-V497 VanDerWaalsContact O-CG2 3.31Å; S493-V497 WeakPolarHBondContact O-CG2 3.27Å; S493-V497 PolarHBondContact O-N 2.66Å |
| 494 | I | 92.3 | Very high | 88.4 | Confident | 105 Ų | 105 | 91.2 Ų | 91.2 | 54% | 0.538 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 175.3 | -68.5 | 166.7 | 0 | 0 | 0 | 110.2 | L490 I491 A496 V497 L498 | L490-I494 WeakPolarHBondContact O-CG1 3.31Å; L490-I494 PolarHBondContact O-N 3.31Å; I491-I494 PolarHBondContact O-N 2.89Å; I494-A496 PolarHBondContact O-N 2.95Å; I494-V497 PolarHBondContact O-N 2.77Å; I494-L498 HydrophobicContact CG2-CD1 3.98Å; I494-L498 HydrophobicContact CG2-CG 4.4Å; I494-L498 WeakPolarHBondContact O-CG 3.2Å; I494-L498 PolarHBondContact O-N 2.67Å |
| 495 | F | 92.3 | Very high | 88 | Confident | 141 Ų | 141 | 96.9 Ų | 96.9 | 62% | 0.618 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.1 | -42.2 | 179.2 | -151.1 | -90.5 | 0 | 0 | 0 | 111.7 | I491 A492 S493 V497 L498 V499 | I491-F495 WeakPolarHBondContact O-CB 3.43Å; I491-F495 PolarHBondContact O-N 3.37Å; A492-F495 PolarHBondContact O-N 3.01Å; S493-F495 VanDerWaalsContact C-N 3.33Å; S493-F495 PolarHBondContact O-N 2.77Å; F495-V497 PolarHBondContact O-N 3.3Å; F495-L498 PolarHBondContact O-N 2.92Å; F495-V499 HydrophobicContact CD1-CG2 3.91Å; F495-V499 HydrophobicContact CE1-CG2 3.97Å; F495-V499 WeakPolarHBondContact O-CB 3.44Å; F495-V499 VanDerWaalsContact O-CG2 3.28Å; F495-V499 WeakPolarHBondContact O-CG2 3.35Å; F495-V499 PolarHBondContact O-N 2.91Å |
| 496 | A | 89.1 | Confident | 87.4 | Confident | 55 Ų | 55 | 102.6 Ų | 102.6 | 46% | 0.455 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61 | -44 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A492 S493 I494 V499 V500 | A492-A496 WeakPolarHBondContact O-CB 3.27Å; A492-A496 PolarHBondContact O-N 2.96Å; S493-A496 PolarHBondContact O-N 2.8Å; I494-A496 PolarHBondContact O-N 2.95Å; A496-V499 PolarHBondContact O-N 2.97Å; A496-V500 WeakPolarHBondContact O-CB 3.4Å; A496-V500 VanDerWaalsContact O-CG2 3.27Å; A496-V500 WeakPolarHBondContact O-CG2 3.39Å; A496-V500 PolarHBondContact O-N 2.86Å |
| 497 | V | 90.4 | Very high | 86.5 | Confident | 98 Ų | 98 | 104.5 Ų | 104.5 | 59% | 0.594 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.4 | -45.4 | 175.4 | 171.1 | 0 | 0 | 0 | 0 | 111 | S493 I494 F495 V499 V500 F501 | S493-V497 VanDerWaalsContact O-CG2 3.31Å; S493-V497 WeakPolarHBondContact O-CG2 3.27Å; S493-V497 PolarHBondContact O-N 2.66Å; I494-V497 PolarHBondContact O-N 2.77Å; F495-V497 PolarHBondContact O-N 3.3Å; V497-V499 PolarHBondContact O-N 3.08Å; V497-V500 PolarHBondContact O-N 3.24Å; V497-F501 WeakPolarHBondContact O-CB 3.36Å; V497-F501 PolarHBondContact O-N 3.33Å |
| 498 | L | 89.4 | Confident | 85.5 | Confident | 105 Ų | 105 | 109 Ų | 109 | 55% | 0.55 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 177.2 | -72.3 | 172.3 | 0 | 0 | 0 | 111.9 | I494 F495 F501 A502 | I494-L498 HydrophobicContact CG2-CD1 3.98Å; I494-L498 HydrophobicContact CG2-CG 4.4Å; I494-L498 WeakPolarHBondContact O-CG 3.2Å; I494-L498 PolarHBondContact O-N 2.67Å; F495-L498 PolarHBondContact O-N 2.92Å; L498-F501 PolarHBondContact O-N 3.09Å; L498-A502 VanDerWaalsContact O-CB 3.28Å; L498-A502 WeakPolarHBondContact O-CB 3.4Å; L498-A502 PolarHBondContact O-N 3.27Å |
| 499 | V | 87.7 | Confident | 84.3 | Confident | 60 Ų | 60 | 110.2 Ų | 110.2 | 36% | 0.364 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 176.4 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | F495 A496 V497 F501 A502 R503 | F495-V499 HydrophobicContact CD1-CG2 3.91Å; F495-V499 HydrophobicContact CE1-CG2 3.97Å; F495-V499 WeakPolarHBondContact O-CB 3.44Å; F495-V499 VanDerWaalsContact O-CG2 3.28Å; F495-V499 WeakPolarHBondContact O-CG2 3.35Å; F495-V499 PolarHBondContact O-N 2.91Å; A496-V499 PolarHBondContact O-N 2.97Å; V497-V499 PolarHBondContact O-N 3.08Å; V499-F501 VanDerWaalsContact C-N 3.34Å; V499-A502 PolarHBondContact O-N 3.49Å; V499-R503 WeakPolarHBondContact O-CB 3.2Å; V499-R503 WeakPolarHBondContact O-CG 3.4Å; V499-R503 PolarHBondContact O-N 2.75Å |
| 500 | V | 87.9 | Confident | 83.2 | Confident | 74 Ų | 74 | 112.2 Ų | 112.2 | 45% | 0.448 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63 | -43 | 175.2 | 169.4 | 0 | 0 | 0 | 0 | 110.6 | A496 V497 R503 R504 | A496-V500 WeakPolarHBondContact O-CB 3.4Å; A496-V500 VanDerWaalsContact O-CG2 3.27Å; A496-V500 WeakPolarHBondContact O-CG2 3.39Å; A496-V500 PolarHBondContact O-N 2.86Å; V497-V500 PolarHBondContact O-N 3.24Å; V500-R503 PolarHBondContact O-N 2.8Å; V500-R504 WeakPolarHBondContact O-CB 3.35Å; V500-R504 WeakPolarHBondContact O-CG 3.25Å; V500-R504 PolarHBondContact O-N 3.43Å |
| 501 | F | 84.9 | Confident | 81.6 | Confident | 129 Ų | 129 | 117.3 Ų | 117.3 | 57% | 0.566 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.9 | -44.7 | 178.1 | -151.2 | -91.6 | 0 | 0 | 0 | 111.3 | V497 L498 V499 R504 R505 | V497-F501 WeakPolarHBondContact O-CB 3.36Å; V497-F501 PolarHBondContact O-N 3.33Å; L498-F501 PolarHBondContact O-N 3.09Å; V499-F501 VanDerWaalsContact C-N 3.34Å; F501-R504 PolarHBondContact O-N 3.31Å; F501-R505 WeakPolarHBondContact O-CB 3.4Å; F501-R505 PolarHBondContact O-N 3.25Å |
| 502 | A | 80.8 | Confident | 80 | Confident | 57 Ų | 57 | 122.4 Ų | 122.4 | 47% | 0.471 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.4 | -45 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | L498 V499 R504 R505 W506 | L498-A502 VanDerWaalsContact O-CB 3.28Å; L498-A502 WeakPolarHBondContact O-CB 3.4Å; L498-A502 PolarHBondContact O-N 3.27Å; V499-A502 PolarHBondContact O-N 3.49Å; A502-R504 PolarHBondContact O-N 2.79Å; A502-R505 PolarHBondContact O-N 2.73Å; A502-W506 WeakPolarHBondContact O-CB 3.25Å; A502-W506 PolarHBondContact O-N 3.48Å |
| 503 | R | 81.5 | Confident | 78.3 | Confident | 176 Ų | 176 | 127 Ų | 127 | 66% | 0.664 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.3 | -40.7 | 174.6 | -81.3 | -176.7 | 167.4 | 178.1 | -1.9 | 112.3 | V499 V500 W506 K507 | V499-R503 WeakPolarHBondContact O-CB 3.2Å; V499-R503 WeakPolarHBondContact O-CG 3.4Å; V499-R503 PolarHBondContact O-N 2.75Å; V500-R503 PolarHBondContact O-N 2.8Å; R503-W506 PolarHBondContact O-N 3.41Å; R503-K507 WeakPolarHBondContact O-CB 3.39Å; R503-K507 PolarHBondContact O-N 3.24Å |
| 504 | R | 78.8 | Confident | 76.7 | Confident | 170 Ų | 170 | 133.3 Ų | 133.3 | 64% | 0.642 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64 | -42.4 | 174.3 | -77.1 | 179.5 | 178 | -172.8 | 0.7 | 111.3 | V500 F501 A502 K507 R508 | V500-R504 WeakPolarHBondContact O-CB 3.35Å; V500-R504 WeakPolarHBondContact O-CG 3.25Å; V500-R504 PolarHBondContact O-N 3.43Å; F501-R504 PolarHBondContact O-N 3.31Å; A502-R504 PolarHBondContact O-N 2.79Å; R504-K507 PolarHBondContact O-N 3.28Å; R504-R508 WeakPolarHBondContact O-CB 3.31Å; R504-R508 WeakPolarHBondContact O-CG 3.45Å; R504-R508 PolarHBondContact O-N 3.04Å |
| 505 | R | 77.1 | Confident | 74.9 | Confident | 180 Ų | 180 | 131.9 Ų | 131.9 | 68% | 0.679 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.1 | -41.7 | 176.9 | -137.3 | 176.3 | -178.3 | 157.7 | 0.1 | 111.5 | F501 A502 R508 S509 | F501-R505 WeakPolarHBondContact O-CB 3.4Å; F501-R505 PolarHBondContact O-N 3.25Å; A502-R505 PolarHBondContact O-N 2.73Å; R505-R508 PolarHBondContact O-N 3.34Å; R505-S509 WeakPolarHBondContact O-CB 3.33Å; R505-S509 PolarHBondContact O-N 3.14Å |
| 506 | W | 73.9 | Confident | 72.9 | Confident | 166 Ų | 166 | 130.2 Ų | 130.2 | 63% | 0.629 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.8 | -45.2 | 175.6 | -175.7 | 64.5 | 0 | 0 | 0 | 112.4 | A502 R503 R508 S509 Q510 | A502-W506 WeakPolarHBondContact O-CB 3.25Å; A502-W506 PolarHBondContact O-N 3.48Å; R503-W506 PolarHBondContact O-N 3.41Å; W506-R508 VanDerWaalsContact C-N 3.34Å; W506-R508 PolarHBondContact O-N 3Å; W506-S509 WeakPolarHBondContact O-CB 2.98Å; W506-S509 PolarHBondContact O-N 3.39Å; W506-Q510 WeakPolarHBondContact O-CB 3.39Å; W506-Q510 PolarHBondContact O-N 3.33Å |
| 507 | K | 72.8 | Confident | 71.1 | Confident | 151 Ų | 151 | 132 Ų | 132 | 66% | 0.657 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61.4 | -38.2 | 172.6 | -82.8 | -171.8 | 175.6 | -176.5 | 0 | 112.6 | R503 R504 R511 | R503-K507 WeakPolarHBondContact O-CB 3.39Å; R503-K507 PolarHBondContact O-N 3.24Å; R504-K507 PolarHBondContact O-N 3.28Å; K507-R511 PolarHBondContact O-N 3.4Å |
| 508 | R | 69.1 | Low | 69 | Low | 199 Ų | 199 | 137.9 Ų | 137.9 | 75% | 0.751 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.8 | -40.5 | 173.6 | -79.4 | -178.5 | 177.5 | 177.2 | -0.7 | 112.1 | R504 R505 W506 R511 R512 | R504-R508 WeakPolarHBondContact O-CB 3.31Å; R504-R508 WeakPolarHBondContact O-CG 3.45Å; R504-R508 PolarHBondContact O-N 3.04Å; R505-R508 PolarHBondContact O-N 3.34Å; W506-R508 VanDerWaalsContact C-N 3.34Å; W506-R508 PolarHBondContact O-N 3Å; R508-R511 PolarHBondContact O-N 3.06Å; R508-R512 PolarHBondContact O-N 3.48Å |
| 509 | S | 66.4 | Low | 66.7 | Low | 62 Ų | 62 | 136.2 Ų | 136.2 | 43% | 0.434 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -63.3 | -45 | 174.2 | 177.3 | 0 | 0 | 0 | 0 | 112.1 | R505 W506 R512 K513 | R505-S509 WeakPolarHBondContact O-CB 3.33Å; R505-S509 PolarHBondContact O-N 3.14Å; W506-S509 WeakPolarHBondContact O-CB 2.98Å; W506-S509 PolarHBondContact O-N 3.39Å; S509-R512 PolarHBondContact O-N 2.82Å; S509-K513 PolarHBondContact O-N 2.94Å |
| 510 | Q | 65.4 | Low | 64.4 | Low | 97 Ų | 97 | 140.7 Ų | 140.7 | 45% | 0.453 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -60.5 | -43.1 | 173.5 | -84.1 | -83.4 | -22.6 | 0 | 0 | 112.5 | W506 K513 R514 | W506-Q510 WeakPolarHBondContact O-CB 3.39Å; W506-Q510 PolarHBondContact O-N 3.33Å; Q510-K513 PolarHBondContact O-N 3.32Å; Q510-R514 PolarHBondContact O-N 2.91Å |
| 511 | R | 60.1 | Low | 62 | Low | 206 Ų | 206 | 146.9 Ų | 146.9 | 78% | 0.777 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -63.4 | -40.1 | 173.4 | -86.5 | -175.3 | 172 | 176.5 | -2.7 | 112.8 | K507 R508 R514 A515 | K507-R511 PolarHBondContact O-N 3.4Å; R508-R511 PolarHBondContact O-N 3.06Å; R511-R514 PolarHBondContact O-N 3.07Å; R511-A515 WeakPolarHBondContact O-CB 3.35Å; R511-A515 PolarHBondContact O-N 2.95Å |
| 512 | R | 57.8 | Low | 59.9 | Low | 210 Ų | 210 | 149.8 Ų | 149.8 | 79% | 0.792 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -64.4 | -40.7 | 173.8 | -98.1 | -177.7 | 169.9 | 173.4 | -3.8 | 112.5 | R508 S509 A515 S516 | R508-R512 PolarHBondContact O-N 3.48Å; S509-R512 PolarHBondContact O-N 2.82Å; R512-A515 PolarHBondContact O-N 3.14Å; R512-S516 PolarHBondContact O-N 2.82Å |
| 513 | K | 56.8 | Low | 58.1 | Low | 155 Ų | 155 | 153.1 Ų | 153.1 | 67% | 0.674 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -64 | -39.4 | 173.7 | -83.8 | -172.9 | 172.2 | -173.5 | 0 | 112.5 | S509 Q510 S516 | S509-K513 PolarHBondContact O-N 2.94Å; Q510-K513 PolarHBondContact O-N 3.32Å; K513-S516 PolarHBondContact O-N 3.19Å |
| 514 | R | 56.1 | Low | 55.8 | Low | 204 Ų | 204 | 152.2 Ų | 152.2 | 77% | 0.77 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -68 | -38.1 | 173.9 | -99.7 | -177.6 | 172.3 | -179.4 | -2 | 113.3 | Q510 R511 S516 S517 | Q510-R514 PolarHBondContact O-N 2.91Å; R511-R514 PolarHBondContact O-N 3.07Å; R514-S516 VanDerWaalsContact C-N 3.32Å; R514-S516 PolarHBondContact O-N 3.21Å; R514-S517 PolarHBondContact O-N 3.05Å |
| 515 | A | 54.8 | Low | 53.6 | Low | 75 Ų | 75 | 150.9 Ų | 150.9 | 62% | 0.62 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -70 | -27.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R511 R512 S517 | R511-A515 WeakPolarHBondContact O-CB 3.35Å; R511-A515 PolarHBondContact O-N 2.95Å; R512-A515 PolarHBondContact O-N 3.14Å; A515-S517 VanDerWaalsContact C-N 3.28Å; A515-S517 PolarHBondContact O-N 2.83Å |
| 516 | S | 50.7 | Low | 51.5 | Low | 106 Ų | 106 | 150.2 Ų | 150.2 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -10.6 | 174.1 | -174.6 | 0 | 0 | 0 | 0 | 114 | R512 K513 R514 | R512-S516 PolarHBondContact O-N 2.82Å; K513-S516 PolarHBondContact O-N 3.19Å; R514-S516 VanDerWaalsContact C-N 3.32Å; R514-S516 PolarHBondContact O-N 3.21Å |
| 517 | S | 50 | Low | 49.5 | Very low | 92 Ų | 92 | 147.1 Ų | 147.1 | 64% | 0.643 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -7.4 | -176.5 | -175.2 | 0 | 0 | 0 | 0 | 113.8 | R514 A515 | R514-S517 PolarHBondContact O-N 3.05Å; A515-S517 VanDerWaalsContact C-N 3.28Å; A515-S517 PolarHBondContact O-N 2.83Å |
| 518 | Y | 47.6 | Very low | 47.6 | Very low | 222 Ų | 222 | 144.4 Ų | 144.4 | 87% | 0.871 | 72% | 0.721 | S | S | * | * | trans | -121.2 | 83.7 | 176.8 | -86.7 | -86 | 0 | 0 | 0 | 109.4 | ||||
| 519 | G | 40.8 | Very low | 45.9 | Very low | 70 Ų | 70 | 139.6 Ų | 139.6 | 72% | 0.722 | 72% | 0.718 | S | S | * | * | trans | -156.2 | 86 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 520 | E | 38.6 | Very low | 44.4 | Very low | 153 Ų | 153 | 144.2 Ų | 144.2 | 72% | 0.715 | 73% | 0.733 | S | S | * | * | trans | -169.4 | 135.6 | 141.9 | -112.5 | -168.9 | 140.2 | 0 | 0 | 113 | ||||
| 521 | R | 38.5 | Very low | 43 | Very low | 204 Ų | 204 | 148.3 Ų | 148.3 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | trans | 82.6 | 104.9 | 147 | -65.5 | 174.9 | -168.6 | -164.4 | 6.1 | 120.4 | ||||
| 522 | Q | 41.2 | Very low | 41.8 | Very low | 190 Ų | 190 | 141.9 Ų | 141.9 | 89% | 0.888 | 75% | 0.75 | S | S | * | * | trans | -55.4 | 156.9 | 146.4 | -77.3 | 178.9 | -48 | 0 | 0 | 111.8 | ||||
| 523 | P | 41.6 | Very low | 40.7 | Very low | 128 Ų | 128 | 137.1 Ų | 137.1 | 83% | 0.831 | 75% | 0.749 | S | S | * | * | -126.2 | 166.6 | 129.3 | 32.1 | -18.3 | 0 | 0 | 0 | 113.8 | |||||
| 524 | L | 34.2 | Very low | 39.8 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 82% | 0.817 | 75% | 0.747 | S | S | * | * | trans | -73.5 | 161.4 | -168.8 | -90.7 | 148.9 | 0 | 0 | 0 | 115.9 | ||||
| 525 | L | 33 | Very low | 38.9 | Very low | 142 Ų | 142 | 128.9 Ų | 128.9 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | trans | 74.8 | 147 | 156.5 | -63.8 | 152.3 | 0 | 0 | 0 | 115.8 | ||||
| 526 | Q | 31.8 | Very low | 38.2 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | cis | -173.2 | 167.3 | -12 | -173.2 | 167.9 | 10.6 | 0 | 0 | 105.2 | ||||
| 527 | S | 31.9 | Very low | 37.7 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | 87.3 | 115.1 | 157 | 85 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 528 | S | 32.7 | Very low | 37.2 | Very low | 94 Ų | 94 | 136.8 Ų | 136.8 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | 77.7 | 128.7 | 123.3 | 65.4 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 529 | S | 33.2 | Very low | 36.8 | Very low | 98 Ų | 98 | 131.6 Ų | 131.6 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | trans | 61.7 | 146.4 | 142.4 | 56.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 530 | E | 35.9 | Very low | 36.7 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | cis | -173.5 | 146.6 | -0.2 | -110.7 | 168.8 | 170.5 | 0 | 0 | 102.3 | ||||
| 531 | E | 35 | Very low | 36.6 | Very low | 183 Ų | 183 | 138.9 Ų | 138.9 | 86% | 0.855 | 76% | 0.763 | S | S | * | * | trans | 60.8 | 148.6 | 138.7 | -64.9 | -171.1 | 151.8 | 0 | 0 | 123.1 | ||||
| 532 | G | 35.5 | Very low | 36.5 | Very low | 71 Ų | 71 | 135.4 Ų | 135.4 | 73% | 0.732 | 76% | 0.762 | S | S | * | * | trans | 97.2 | 95.6 | 151 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 533 | S | 34.9 | Very low | 36.3 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | 88.5 | 136.5 | 74.9 | 177 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 534 | S | 38.4 | Very low | 35.9 | Very low | 92 Ų | 92 | 132.6 Ų | 132.6 | 64% | 0.643 | 75% | 0.751 | S | S | * | * | trans | 63.1 | 111.1 | 152.9 | 53.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 535 | S | 37 | Very low | 36.1 | Very low | 94 Ų | 94 | 131.2 Ų | 131.2 | 66% | 0.657 | 75% | 0.747 | S | S | * | * | 77.4 | 154.8 | 69.4 | 82.7 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 536 | Y | 40.6 | Very low | 36.3 | Very low | 187 Ų | 187 | 130.5 Ų | 130.5 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | trans | 94.8 | 105.3 | 178.7 | -63 | -79.4 | 0 | 0 | 0 | 113.9 | ||||
| 537 | Q | 38.9 | Very low | 36.6 | Very low | 158 Ų | 158 | 127.9 Ų | 127.9 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | 57.5 | 128.9 | 65.6 | -134.9 | -176.4 | 12.1 | 0 | 0 | 107.8 | |||||
| 538 | T | 39.2 | Very low | 36.9 | Very low | 94 Ų | 94 | 130 Ų | 130 | 58% | 0.577 | 75% | 0.748 | S | S | * | * | -178.1 | 152.8 | 52.3 | -35.4 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 539 | T | 39.2 | Very low | 37.3 | Very low | 114 Ų | 114 | 133 Ų | 133 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | trans | 42.3 | 134.5 | 137.8 | 54.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 540 | L | 39.7 | Very low | 37.7 | Very low | 236 Ų | 236 | 136.2 Ų | 136.2 | 100% | 1.236 | 76% | 0.762 | S | S | * | * | -162.6 | 0 | 56.6 | -125 | 143.8 | 0 | 0 | 0 | 109.8 |
Retrieved 540 of 540 residues in 467.4 ms
(Link to these results)