| 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 | 67.2 | Low | 48.6 | Very low | 239 Ų | 239 | 131.7 Ų | 131.7 | 100% | 1.177 | 84% | 0.835 | S | S | * | * | 0 | 108.3 | 0 | -87.6 | 115.1 | 151.8 | 0 | 0 | 106.9 | |||||
| 2 | E | 42 | Very low | 48 | Very low | 203 Ų | 203 | 129.9 Ų | 129.9 | 95% | 0.949 | 83% | 0.83 | S | S | * | * | trans | -155.7 | 111.1 | 141.8 | -61.9 | -162.3 | 102.3 | 0 | 0 | 105.1 | ||||
| 3 | G | 55.3 | Low | 48 | Very low | 86 Ų | 86 | 133.3 Ų | 133.3 | 89% | 0.887 | 84% | 0.836 | S | S | * | * | trans | -92.4 | 119.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 4 | D | 45.6 | Very low | 47.9 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 83% | 0.834 | 83% | 0.83 | S | S | * | * | trans | -108.1 | 113.5 | 168.2 | -168.2 | -114.5 | 0 | 0 | 0 | 105.1 | ||||
| 5 | G | 50.1 | Low | 47.9 | Very low | 49 Ų | 49 | 134 Ų | 134 | 51% | 0.505 | 82% | 0.823 | S | S | . | * | cis | 90.6 | 112.6 | 49.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 6 | S | 51 | Low | 48.4 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | 71.8 | 92.2 | 167.9 | 21.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 7 | Q | 42.1 | Very low | 49.1 | Very low | 186 Ų | 186 | 130.5 Ų | 130.5 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | trans | -139.9 | 65.7 | 138.4 | -106.8 | -179.7 | 92.3 | 0 | 0 | 108.8 | T9 | Q7-T9 PolarHBondContact O-N 3.13Š| ||
| 8 | A | 44.8 | Very low | 49.6 | Very low | 100 Ų | 100 | 129.7 Ų | 129.7 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | trans | -75.6 | 103.5 | 154.6 | 0 | 0 | 0 | 0 | 0 | 105.6 | S10 | A8-S10 PolarHBondContact O-N 3.36Š| ||
| 9 | T | 41.9 | Very low | 50.9 | Low | 120 Ų | 120 | 125.8 Ų | 125.8 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | trans | -55.1 | 130.8 | -172.4 | 41.6 | 0 | 0 | 0 | 0 | 111.2 | Q7 G11 | Q7-T9 PolarHBondContact O-N 3.13Å; T9-G11 PolarHBondContact O-N 3.03Å | ||
| 10 | S | 51.6 | Low | 52.4 | Low | 121 Ų | 121 | 123.4 Ų | 123.4 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | trans | -59.5 | 100.5 | 167.5 | -66.1 | 0 | 0 | 0 | 0 | 108.9 | A8 S12 | A8-S10 PolarHBondContact O-N 3.36Å; S10-S12 PolarHBondContact O-N 3.26Å | ||
| 11 | G | 42.4 | Very low | 54 | Low | 72 Ų | 72 | 117.6 Ų | 117.6 | 74% | 0.742 | 71% | 0.711 | S | S | * | * | trans | -78.9 | 97.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110 | T9 | T9-G11 PolarHBondContact O-N 3.03Š| ||
| 12 | S | 42.3 | Very low | 55.1 | Low | 110 Ų | 110 | 109.4 Ų | 109.4 | 77% | 0.769 | 67% | 0.669 | S | S | * | * | trans | -41.1 | 129.3 | 179.4 | -56.5 | 0 | 0 | 0 | 0 | 115.4 | S10 N14 | S10-S12 PolarHBondContact O-N 3.26Å; S12-N14 PolarHBondContact O-N 2.66Å | ||
| 13 | L | 47.3 | Very low | 57.5 | Low | 174 Ų | 174 | 99.8 Ų | 99.8 | 91% | 0.911 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 28.2 | 179 | -77.9 | 162.1 | 0 | 0 | 0 | 115.5 | ||
| 14 | N | 47.1 | Very low | 59.2 | Low | 140 Ų | 140 | 98.7 Ų | 98.7 | 75% | 0.749 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.2 | 20.7 | -169.4 | -109.5 | -28.9 | 0 | 0 | 0 | 121.7 | S12 S16 | S12-N14 PolarHBondContact O-N 2.66Å; N14-S16 PolarHBondContact O-N 2.97Å |
| 15 | D | 47.2 | Very low | 61.5 | Low | 137 Ų | 137 | 91.3 Ų | 91.3 | 73% | 0.733 | 56% | 0.555 | S | S | * | * | trans | -97.7 | 78.8 | 170.1 | -135.3 | -76.5 | 0 | 0 | 0 | 112.1 | Q17 | D15-Q17 PolarHBondContact O-N 3.35Š| ||
| 16 | S | 56.3 | Low | 63.6 | Low | 103 Ų | 103 | 89.3 Ų | 89.3 | 72% | 0.72 | 54% | 0.535 | S | S | * | . | trans | -86.6 | 27.5 | -171.1 | -69 | 0 | 0 | 0 | 0 | 115.4 | N14 | N14-S16 PolarHBondContact O-N 2.97Š| ||
| 17 | Q | 59.7 | Low | 65.5 | Low | 106 Ų | 106 | 85.6 Ų | 85.6 | 50% | 0.495 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -135.2 | -23.8 | -174.9 | -154.6 | 83.2 | 13.8 | 0 | 0 | 117.2 | D15 P98 | D15-Q17 PolarHBondContact O-N 3.35Å; Q17-P98 WeakPolarHBondContact O-CB 3.27Å |
| 18 | H | 58.4 | Low | 67.8 | Low | 115 Ų | 115 | 76.9 Ų | 76.9 | 53% | 0.532 | 47% | 0.474 | S | S | . | . | trans | -156.4 | 97.9 | 177.1 | -174.1 | 70.4 | 0 | 0 | 0 | 110.9 | P20 | H18-P20 VanDerWaalsContact O-CD 3.26Å; H18-P20 WeakPolarHBondContact O-CD 3.2Å | ||
| 19 | D | 74.8 | Confident | 69.9 | Low | 56 Ų | 56 | 72.7 Ų | 72.7 | 30% | 0.299 | 44% | 0.439 | S | S | . | . | trans | -88.9 | 107 | 169.9 | -126.8 | -80 | 0 | 0 | 0 | 106.9 | G21 K22 R48 T68 | D19-G21 PolarHBondContact O-N 2.92Å; D19-G21 VanDerWaalsContact O-N 3.17Å; D19-K22 HydrophobicContact CB-CB 3.92Å; D19-K22 VanDerWaalsContact O-CB 3.29Å; D19-K22 WeakPolarHBondContact O-CB 3.29Å; D19-K22 PolarHBondContact O-N 3.28Å; D19-R48 VanDerWaalsContact CG-NH1 3.3Å; D19-R48 IonicContact OD1-NH1 3.07Å; D19-R48 PolarHBondContact OD1-NH1 2.91Å; D19-R48 VanDerWaalsContact OD1-NH1 3.07Å; D19-R48 IonicContact OD2-CZ 3.79Å; D19-R48 IonicContact OD2-NH1 2.81Å; D19-R48 PolarHBondContact OD2-NH1 3.04Å; D19-R48 IonicContact OD2-NH2 3.94Å; D19-T68 HydrophobicContact CB-CG2 4.45Å | ||
| 20 | P | 79.9 | Confident | 72.1 | Confident | 77 Ų | 77 | 75 Ų | 75 | 50% | 0.5 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -19.6 | -179 | 26.3 | -34.8 | 0 | 0 | 0 | 112.3 | H18 K22 A72 | H18-P20 VanDerWaalsContact O-CD 3.26Å; H18-P20 WeakPolarHBondContact O-CD 3.2Å; P20-K22 VanDerWaalsContact C-N 3.3Å; P20-A72 HydrophobicContact CB-CB 4.19Å; P20-A72 HydrophobicContact CG-CB 4.44Å |
| 21 | G | 86.7 | Confident | 73.7 | Confident | 3 Ų | 3 | 77.3 Ų | 77.3 | 3% | 0.031 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -1.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | D19 T68 F69 | D19-G21 PolarHBondContact O-N 2.92Å; D19-G21 VanDerWaalsContact O-N 3.17Å; G21-T68 WeakPolarHBondContact O-CA 3.1Å; G21-F69 WeakPolarHBondContact O-CD2 3.26Å; G21-F69 PolarHBondContact O-N 3.05Å |
| 22 | K | 90 | Very high | 75.8 | Confident | 67 Ų | 67 | 73.9 Ų | 73.9 | 29% | 0.291 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 132.6 | -176.7 | -166.9 | 178.8 | -173.6 | -175.6 | 0 | 112.8 | D19 P20 V67 A96 | D19-K22 HydrophobicContact CB-CB 3.92Å; D19-K22 VanDerWaalsContact O-CB 3.29Å; D19-K22 WeakPolarHBondContact O-CB 3.29Å; D19-K22 PolarHBondContact O-N 3.28Å; P20-K22 VanDerWaalsContact C-N 3.3Å; K22-V67 CarbonylContact C-O 3.52Å; K22-V67 WeakPolarHBondContact CA-O 3.23Å; K22-A96 HydrophobicContact CB-CB 4.16Å; K22-A96 HydrophobicContact CD-CB 4.22Å; K22-A96 HydrophobicContact CG-CB 3.79Å; K22-A96 VanDerWaalsContact O-CB 3.23Å; K22-A96 WeakPolarHBondContact O-CB 3.15Å; K22-A96 PolarHBondContact O-N 3.49Å; K22-A96 VanDerWaalsContact O-N 3.1Å |
| 23 | M | 92.4 | Very high | 78.1 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 143.4 | -177.6 | -66.9 | -118.8 | -78.1 | 0 | 0 | 111.5 | I25 F66 V67 F69 V75 V78 P93 K94 | M23-I25 HydrophobicContact CB-CD1 4.07Å; M23-F66 CarbonylContact O-C 3.41Å; M23-F66 WeakPolarHBondContact O-CA 3.34Å; M23-V67 PolarHBondContact N-O 2.85Å; M23-V67 PolarHBondContact O-N 3.29Å; M23-F69 HydrophobicContact CE-CE2 3.83Å; M23-F69 HydrophobicContact CG-CD2 4.42Å; M23-F69 HydrophobicContact CG-CE2 4.26Å; M23-V75 HydrophobicContact CG-CB 4.42Å; M23-V75 HydrophobicContact CG-CG1 4.19Å; M23-V75 HydrophobicContact CG-CG2 3.7Å; M23-V75 HydrophobicContact SD-CB 4.14Å; M23-V75 HydrophobicContact SD-CG1 3.56Å; M23-V75 VanDerWaalsContact SD-CG1 3.56Å; M23-V75 HydrophobicContact SD-CG2 4.07Å; M23-V78 HydrophobicContact CE-CB 3.39Å; M23-V78 HydrophobicContact CE-CG1 3.38Å; M23-V78 HydrophobicContact CE-CG2 3.68Å; M23-P93 HydrophobicContact CE-CB 4.15Å; M23-K94 CarbonylContact C-O 3.59Å; M23-K94 WeakPolarHBondContact CA-O 3.42Å |
| 24 | F | 92.6 | Very high | 80.1 | Confident | 64 Ų | 64 | 64 Ų | 64 | 28% | 0.281 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 131.7 | 168.6 | 168.6 | -92.4 | 0 | 0 | 0 | 108.5 | F64 F66 P93 K94 A96 | F24-F64 HydrophobicContact CD2-CD2 4.42Å; F24-F64 HydrophobicContact CE2-CB 3.78Å; F24-F64 AromaticContact CE2-CD2 3.63Å; F24-F64 HydrophobicContact CE2-CD2 3.63Å; F24-F64 HydrophobicContact CE2-CE2 4.48Å; F24-F64 AromaticContact CE2-CG 3.97Å; F24-F64 HydrophobicContact CE2-CG 3.97Å; F24-F64 HydrophobicContact CZ-CB 3.81Å; F24-F64 HydrophobicContact CZ-CD2 4.45Å; F24-F64 HydrophobicContact CZ-CG 4.35Å; F24-F66 HydrophobicContact CB-CD1 4.31Å; F24-F66 HydrophobicContact CB-CE1 4.09Å; F24-F66 HydrophobicContact CD2-CD1 4.48Å; F24-F66 AromaticContact CD2-CE1 3.84Å; F24-F66 HydrophobicContact CD2-CE1 3.84Å; F24-F66 HydrophobicContact CD2-CZ 4.01Å; F24-F66 HydrophobicContact CG-CE1 4.48Å; F24-P93 CarbonylContact O-C 3.56Å; F24-P93 WeakPolarHBondContact O-CA 3.48Å; F24-K94 PolarHBondContact N-O 3.41Å; F24-K94 PolarHBondContact O-N 3.34Å; F24-A96 HydrophobicContact CB-CB 4.45Å |
| 25 | I | 93.3 | Very high | 82.2 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 109.2 | 177.7 | -40.3 | -58 | 0 | 0 | 0 | 108.6 | M23 L28 L37 F41 F64 G65 V67 I91 P93 | M23-I25 HydrophobicContact CB-CD1 4.07Å; I25-L28 HydrophobicContact CB-CD2 4.29Å; I25-L28 HydrophobicContact CG2-CD2 3.56Å; I25-L28 HydrophobicContact CG2-CG 4.32Å; I25-L37 HydrophobicContact CB-CD2 4.27Å; I25-L37 HydrophobicContact CG1-CD2 4.08Å; I25-L37 HydrophobicContact CG2-CD2 4.04Å; I25-F41 HydrophobicContact CD1-CE1 4.21Å; I25-F41 HydrophobicContact CD1-CE2 3.7Å; I25-F41 HydrophobicContact CD1-CZ 3.51Å; I25-F41 HydrophobicContact CG1-CE2 3.86Å; I25-F41 HydrophobicContact CG1-CZ 4.14Å; I25-F41 HydrophobicContact CG2-CE2 3.98Å; I25-F41 HydrophobicContact CG2-CZ 4.04Å; I25-F64 CarbonylContact O-C 3.58Å; I25-F64 WeakPolarHBondContact O-CA 3.15Å; I25-F64 WeakPolarHBondContact O-CB 3.31Å; I25-G65 PolarHBondContact N-O 3.25Å; I25-G65 PolarHBondContact O-N 2.75Å; I25-V67 HydrophobicContact CD1-CB 4.35Å; I25-V67 HydrophobicContact CD1-CG2 4.2Å; I25-V67 HydrophobicContact CG1-CB 4.35Å; I25-V67 HydrophobicContact CG1-CG2 3.79Å; I25-I91 HydrophobicContact CG2-CB 4.17Å; I25-I91 HydrophobicContact CG2-CD1 3.97Å; I25-I91 HydrophobicContact CG2-CG1 4.46Å; I25-P93 HydrophobicContact CD1-CB 3.84Å |
| 26 | G | 92.9 | Very high | 84.3 | Confident | 8 Ų | 8 | 57.1 Ų | 57.1 | 8% | 0.082 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 167 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L28 I91 D92 | G26-L28 VanDerWaalsContact C-N 3.3Å; G26-L28 PolarHBondContact O-N 2.81Å; G26-I91 WeakPolarHBondContact O-CA 3.45Å; G26-I91 WeakPolarHBondContact O-CB 3.48Å; G26-D92 PolarHBondContact N-O 2.81Å; G26-D92 PolarHBondContact O-N 2.83Å |
| 27 | G | 91.4 | Very high | 86 | Confident | 39 Ų | 39 | 52.2 Ų | 52.2 | 40% | 0.402 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 77.4 | 9.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | G63 | G27-G63 PolarHBondContact N-O 2.81Å; G27-G63 VanDerWaalsContact N-O 3.1Å |
| 28 | L | 91.6 | Very high | 87.6 | Confident | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.016 | 27% | 0.271 | C | S | . | . | trans | -59.8 | 149.1 | -178.8 | -57.6 | -175.6 | 0 | 0 | 0 | 112.1 | I25 G26 T32 L37 V52 G63 F64 L86 I91 | I25-L28 HydrophobicContact CB-CD2 4.29Å; I25-L28 HydrophobicContact CG2-CD2 3.56Å; I25-L28 HydrophobicContact CG2-CG 4.32Å; G26-L28 VanDerWaalsContact C-N 3.3Å; G26-L28 PolarHBondContact O-N 2.81Å; L28-T32 HydrophobicContact CB-CG2 4.33Å; L28-T32 HydrophobicContact CD1-CG2 4.26Å; L28-T32 HydrophobicContact CD2-CG2 4.24Å; L28-L37 HydrophobicContact CD1-CD1 3.81Å; L28-L37 HydrophobicContact CD1-CD2 4.46Å; L28-L37 HydrophobicContact CD1-CG 4.37Å; L28-L37 HydrophobicContact CD2-CD2 3.96Å; L28-L37 HydrophobicContact CD2-CG 4.45Å; L28-V52 HydrophobicContact CD1-CG2 4.49Å; L28-G63 PolarHBondContact N-O 3.22Å; L28-G63 WeakPolarHBondContact O-CA 3.35Å; L28-F64 VanDerWaalsContact CD1-C 3.48Å; L28-L86 HydrophobicContact CD2-CD2 4.22Å; L28-I91 HydrophobicContact CD2-CB 4.36Å; L28-I91 HydrophobicContact CD2-CG2 3.73Å | ||
| 29 | S | 89.2 | Confident | 89.3 | Confident | 11 Ų | 11 | 52.7 Ų | 52.7 | 8% | 0.077 | 27% | 0.273 | C | S | . | . | trans | -65.9 | 154.3 | 170 | -162.2 | 0 | 0 | 0 | 0 | 111.2 | Q31 T32 S61 K89 | S29-Q31 PolarHBondContact O-N 2.61Å; S29-T32 WeakPolarHBondContact CA-OG1 3.43Å; S29-T32 WeakPolarHBondContact CB-OG1 3.32Å; S29-T32 PolarHBondContact N-OG1 3.41Å; S29-T32 WeakPolarHBondContact O-CB 3.43Å; S29-T32 PolarHBondContact O-N 2.98Å; S29-T32 VanDerWaalsContact O-N 3.12Å; S29-T32 PolarHBondContact O-OG1 3.27Å; S29-S61 PolarHBondContact O-OG 3.24Å; S29-K89 VanDerWaalsContact CA-CD 3.43Å; S29-K89 VanDerWaalsContact CB-CD 3.5Å | ||
| 30 | W | 86.3 | Confident | 90.2 | Very high | 168 Ų | 168 | 51.4 Ų | 51.4 | 64% | 0.636 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -23.5 | 173.3 | -64.1 | -12 | 0 | 0 | 0 | 112.3 | S61 | W30-S61 VanDerWaalsContact O-CB 3.31Å; W30-S61 WeakPolarHBondContact O-CB 3.07Å |
| 31 | Q | 85.4 | Confident | 90.8 | Very high | 170 Ų | 170 | 47.8 Ų | 47.8 | 79% | 0.794 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -10 | 178.9 | -58.2 | -174.5 | 93.5 | 0 | 0 | 112.7 | S29 S33 | S29-Q31 PolarHBondContact O-N 2.61Å; Q31-S33 PolarHBondContact O-N 3.07Å |
| 32 | T | 87.5 | Confident | 91.1 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -61 | 131.9 | -175.9 | -62.5 | 0 | 0 | 0 | 0 | 111.1 | L28 S29 L37 R54 L86 D87 | L28-T32 HydrophobicContact CB-CG2 4.33Å; L28-T32 HydrophobicContact CD1-CG2 4.26Å; L28-T32 HydrophobicContact CD2-CG2 4.24Å; S29-T32 WeakPolarHBondContact CA-OG1 3.43Å; S29-T32 WeakPolarHBondContact CB-OG1 3.32Å; S29-T32 PolarHBondContact N-OG1 3.41Å; S29-T32 WeakPolarHBondContact O-CB 3.43Å; S29-T32 PolarHBondContact O-N 2.98Å; S29-T32 VanDerWaalsContact O-N 3.12Å; S29-T32 PolarHBondContact O-OG1 3.27Å; T32-L37 HydrophobicContact CG2-CG 4.13Å; T32-R54 PolarHBondContact O-NH2 3.37Å; T32-R54 VanDerWaalsContact O-NH2 3.08Å; T32-L86 HydrophobicContact CG2-CD2 3.47Å; T32-L86 VanDerWaalsContact CG2-CD2 3.47Å; T32-D87 WeakPolarHBondContact CA-OD2 3.31Å; T32-D87 WeakPolarHBondContact CB-OD2 3.03Å; T32-D87 PolarHBondContact OG1-OD2 2.81Å | ||
| 33 | S | 89.4 | Confident | 91.3 | Very high | 33 Ų | 33 | 55.2 Ų | 55.2 | 23% | 0.231 | 28% | 0.281 | C | S | . | . | trans | -103.7 | 155.5 | 178.2 | 80.2 | 0 | 0 | 0 | 0 | 111.3 | Q31 D35 S36 L37 | Q31-S33 PolarHBondContact O-N 3.07Å; S33-D35 PolarHBondContact O-N 2.9Å; S33-D35 PolarHBondContact OG-N 2.88Å; S33-S36 PolarHBondContact O-N 2.73Å; S33-S36 PolarHBondContact OG-N 3.17Å; S33-S36 PolarHBondContact OG-OG 3.35Å; S33-L37 PolarHBondContact O-N 3.45Å; S33-L37 VanDerWaalsContact O-N 3.09Å | ||
| 34 | P | 89.8 | Confident | 91.3 | Very high | 45 Ų | 45 | 56.4 Ų | 56.4 | 29% | 0.292 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.7 | -33 | 171.7 | 24.3 | -33.2 | 0 | 0 | 0 | 111.7 | L37 R38 C50 V52 | P34-L37 WeakPolarHBondContact O-CB 3.35Å; P34-L37 PolarHBondContact O-N 2.81Å; P34-R38 WeakPolarHBondContact O-CB 3.46Å; P34-R38 PolarHBondContact O-N 3.1Å; P34-C50 PolarHBondContact O-SG 3.24Å; P34-V52 HydrophobicContact CB-CG2 4.25Å |
| 35 | D | 91.6 | Very high | 91.2 | Very high | 95 Ų | 95 | 54.3 Ų | 54.3 | 51% | 0.508 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 175.1 | -111.7 | -75.1 | 0 | 0 | 0 | 112.2 | S33 L37 R38 D39 | S33-D35 PolarHBondContact O-N 2.9Å; S33-D35 PolarHBondContact OG-N 2.88Å; D35-L37 VanDerWaalsContact C-N 3.3Å; D35-L37 PolarHBondContact O-N 3.2Å; D35-R38 WeakPolarHBondContact O-CB 3.42Å; D35-R38 PolarHBondContact O-N 3.1Å; D35-R38 VanDerWaalsContact O-N 3.16Å; D35-R38 IonicContact OD1-CZ 3.67Å; D35-R38 IonicContact OD1-NE 3.7Å; D35-R38 IonicContact OD1-NH2 2.88Å; D35-R38 PolarHBondContact OD1-NH2 2.98Å; D35-D39 WeakPolarHBondContact O-CB 3.35Å; D35-D39 PolarHBondContact O-N 3.19Å |
| 36 | S | 91.4 | Very high | 91.2 | Very high | 36 Ų | 36 | 60.8 Ų | 60.8 | 25% | 0.252 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.1 | -42.1 | 175.7 | -49.9 | 0 | 0 | 0 | 0 | 111.6 | S33 Y40 | S33-S36 PolarHBondContact O-N 2.73Å; S33-S36 PolarHBondContact OG-N 3.17Å; S33-S36 PolarHBondContact OG-OG 3.35Å; S36-Y40 WeakPolarHBondContact O-CB 3.45Å; S36-Y40 PolarHBondContact O-N 3.44Å; S36-Y40 VanDerWaalsContact O-N 3.09Å |
| 37 | L | 91.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.5 | -50.4 | 173.2 | -94.2 | 172.9 | 0 | 0 | 0 | 111.3 | I25 L28 T32 S33 P34 D35 Y40 F41 V52 V67 L86 | I25-L37 HydrophobicContact CB-CD2 4.27Å; I25-L37 HydrophobicContact CG1-CD2 4.08Å; I25-L37 HydrophobicContact CG2-CD2 4.04Å; L28-L37 HydrophobicContact CD1-CD1 3.81Å; L28-L37 HydrophobicContact CD1-CD2 4.46Å; L28-L37 HydrophobicContact CD1-CG 4.37Å; L28-L37 HydrophobicContact CD2-CD2 3.96Å; L28-L37 HydrophobicContact CD2-CG 4.45Å; T32-L37 HydrophobicContact CG2-CG 4.13Å; S33-L37 PolarHBondContact O-N 3.45Å; S33-L37 VanDerWaalsContact O-N 3.09Å; P34-L37 WeakPolarHBondContact O-CB 3.35Å; P34-L37 PolarHBondContact O-N 2.81Å; D35-L37 VanDerWaalsContact C-N 3.3Å; D35-L37 PolarHBondContact O-N 3.2Å; L37-Y40 PolarHBondContact O-N 2.81Å; L37-F41 HydrophobicContact CD2-CD2 3.7Å; L37-F41 HydrophobicContact CD2-CE2 3.38Å; L37-F41 WeakPolarHBondContact O-CB 3.39Å; L37-F41 VanDerWaalsContact O-CD2 3.24Å; L37-F41 WeakPolarHBondContact O-CD2 3.44Å; L37-F41 PolarHBondContact O-N 3.42Å; L37-V52 HydrophobicContact CD1-CG2 3.54Å; L37-V67 HydrophobicContact CD2-CG2 4.14Å; L37-L86 HydrophobicContact CD2-CD2 4.24Å; L37-L86 HydrophobicContact CG-CD2 4.3Å |
| 38 | R | 93.5 | Very high | 91.2 | Very high | 121 Ų | 121 | 67.2 Ų | 67.2 | 46% | 0.457 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.2 | -49.7 | -179.7 | -175.2 | 179 | 67.5 | 155.6 | -2.7 | 110.9 | P34 D35 Y40 F41 S42 I47 | P34-R38 WeakPolarHBondContact O-CB 3.46Å; P34-R38 PolarHBondContact O-N 3.1Å; D35-R38 WeakPolarHBondContact O-CB 3.42Å; D35-R38 PolarHBondContact O-N 3.1Å; D35-R38 VanDerWaalsContact O-N 3.16Å; D35-R38 IonicContact OD1-CZ 3.67Å; D35-R38 IonicContact OD1-NE 3.7Å; D35-R38 IonicContact OD1-NH2 2.88Å; D35-R38 PolarHBondContact OD1-NH2 2.98Å; R38-Y40 VanDerWaalsContact C-N 3.32Å; R38-Y40 PolarHBondContact O-N 3.29Å; R38-F41 PolarHBondContact O-N 3.22Å; R38-S42 WeakPolarHBondContact O-CB 3.22Å; R38-S42 PolarHBondContact O-N 3.35Å; R38-I47 HydrophobicContact CG-CB 4Å; R38-I47 HydrophobicContact CG-CG1 4.03Å; R38-I47 HydrophobicContact CG-CG2 4.1Å |
| 39 | D | 93.8 | Very high | 91.1 | Very high | 111 Ų | 111 | 72.8 Ų | 72.8 | 59% | 0.594 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -58.1 | -45.6 | -179.3 | -172.8 | -94.2 | 0 | 0 | 0 | 111.6 | D35 | D35-D39 WeakPolarHBondContact O-CB 3.35Å; D35-D39 PolarHBondContact O-N 3.19Å |
| 40 | Y | 93.1 | Very high | 91.1 | Very high | 29 Ų | 29 | 73.8 Ų | 73.8 | 11% | 0.114 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.8 | -48.9 | 177.7 | -178.9 | -96.7 | 0 | 0 | 0 | 112.7 | S36 L37 R38 S42 K43 F44 H84 E85 L86 I91 | S36-Y40 WeakPolarHBondContact O-CB 3.45Å; S36-Y40 PolarHBondContact O-N 3.44Å; S36-Y40 VanDerWaalsContact O-N 3.09Å; L37-Y40 PolarHBondContact O-N 2.81Å; R38-Y40 VanDerWaalsContact C-N 3.32Å; R38-Y40 PolarHBondContact O-N 3.29Å; Y40-S42 VanDerWaalsContact C-N 3.34Å; Y40-K43 WeakPolarHBondContact O-CG 3.41Å; Y40-K43 PolarHBondContact O-N 3.19Å; Y40-F44 HydrophobicContact CD1-CE2 4.43Å; Y40-F44 AromaticContact CE1-CE2 3.96Å; Y40-F44 HydrophobicContact CE1-CE2 3.96Å; Y40-H84 HydrophobicContact CE1-CB 4.37Å; Y40-H84 AromaticContact CE1-ND1 3.82Å; Y40-H84 AromaticContact CZ-ND1 3.92Å; Y40-H84 WeakPolarHBondContact OH-CA 3.42Å; Y40-H84 PolarHBondContact OH-ND1 3.34Å; Y40-H84 VanDerWaalsContact OH-ND1 3.1Å; Y40-E85 WeakPolarHBondContact CE2-O 3.42Å; Y40-L86 VanDerWaalsContact CB-CD1 3.48Å; Y40-L86 HydrophobicContact CD2-CD1 4.05Å; Y40-L86 HydrophobicContact CG-CD1 3.81Å; Y40-I91 HydrophobicContact CD1-CD1 4.15Å; Y40-I91 HydrophobicContact CE1-CD1 3.9Å |
| 41 | F | 93.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -76.8 | -20.7 | -176.1 | -77.3 | -67.3 | 0 | 0 | 0 | 113.6 | I25 L37 R38 K43 F44 G45 I47 V67 F69 V78 I91 P93 | I25-F41 HydrophobicContact CD1-CE1 4.21Å; I25-F41 HydrophobicContact CD1-CE2 3.7Å; I25-F41 HydrophobicContact CD1-CZ 3.51Å; I25-F41 HydrophobicContact CG1-CE2 3.86Å; I25-F41 HydrophobicContact CG1-CZ 4.14Å; I25-F41 HydrophobicContact CG2-CE2 3.98Å; I25-F41 HydrophobicContact CG2-CZ 4.04Å; L37-F41 HydrophobicContact CD2-CD2 3.7Å; L37-F41 HydrophobicContact CD2-CE2 3.38Å; L37-F41 WeakPolarHBondContact O-CB 3.39Å; L37-F41 VanDerWaalsContact O-CD2 3.24Å; L37-F41 WeakPolarHBondContact O-CD2 3.44Å; L37-F41 PolarHBondContact O-N 3.42Å; R38-F41 PolarHBondContact O-N 3.22Å; F41-K43 PolarHBondContact O-N 3.34Å; F41-K43 VanDerWaalsContact O-N 3.08Å; F41-F44 HydrophobicContact CD1-CD2 4.08Å; F41-F44 HydrophobicContact CD1-CE2 4.32Å; F41-F44 PolarHBondContact O-N 2.82Å; F41-G45 PolarHBondContact O-N 2.95Å; F41-I47 HydrophobicContact CB-CD1 3.46Å; F41-I47 VanDerWaalsContact CB-CD1 3.46Å; F41-I47 HydrophobicContact CB-CG1 4.47Å; F41-V67 HydrophobicContact CB-CG1 4.28Å; F41-V67 HydrophobicContact CD2-CG2 3.79Å; F41-V67 HydrophobicContact CE2-CG2 4.23Å; F41-V67 HydrophobicContact CG-CG1 4.46Å; F41-V67 HydrophobicContact CG-CG2 4.42Å; F41-F69 HydrophobicContact CB-CE1 4.2Å; F41-F69 HydrophobicContact CB-CZ 3.85Å; F41-F69 AromaticContact CD1-CZ 3.97Å; F41-F69 HydrophobicContact CD1-CZ 3.97Å; F41-F69 HydrophobicContact CG-CZ 4.22Å; F41-F69 WeakPolarHBondContact O-CE1 3.29Å; F41-V78 HydrophobicContact CD1-CG1 4.37Å; F41-V78 HydrophobicContact CD1-CG2 3.89Å; F41-V78 HydrophobicContact CE1-CG1 3.73Å; F41-V78 HydrophobicContact CE1-CG2 4.09Å; F41-I91 HydrophobicContact CE2-CD1 3.96Å; F41-I91 HydrophobicContact CZ-CD1 3.69Å; F41-P93 HydrophobicContact CE1-CB 4.24Å; F41-P93 HydrophobicContact CZ-CB 4.16Å |
| 42 | S | 93.4 | Very high | 91.5 | Very high | 69 Ų | 69 | 62.9 Ų | 62.9 | 48% | 0.483 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -55 | -26.8 | 173.8 | -171.9 | 0 | 0 | 0 | 0 | 112.6 | R38 Y40 F44 G45 | R38-S42 WeakPolarHBondContact O-CB 3.22Å; R38-S42 PolarHBondContact O-N 3.35Å; Y40-S42 VanDerWaalsContact C-N 3.34Å; S42-F44 PolarHBondContact O-N 2.91Å; S42-G45 CarbonylContact C-O 3.58Å; S42-G45 VanDerWaalsContact CA-O 3.31Å; S42-G45 WeakPolarHBondContact CA-O 3.39Å; S42-G45 PolarHBondContact O-N 2.96Å |
| 43 | K | 93 | Very high | 91.5 | Very high | 158 Ų | 158 | 65.2 Ų | 65.2 | 69% | 0.687 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -25.5 | 176.5 | -59.5 | 177.4 | -175.2 | -178.6 | 0 | 113.6 | Y40 F41 | Y40-K43 WeakPolarHBondContact O-CG 3.41Å; Y40-K43 PolarHBondContact O-N 3.19Å; F41-K43 PolarHBondContact O-N 3.34Å; F41-K43 VanDerWaalsContact O-N 3.08Å |
| 44 | F | 92.4 | Very high | 91.4 | Very high | 25 Ų | 25 | 69 Ų | 69 | 11% | 0.11 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -24.7 | 179.6 | -56.5 | -88.9 | 0 | 0 | 0 | 111.8 | Y40 F41 S42 S74 K77 V78 Q81 H84 | Y40-F44 HydrophobicContact CD1-CE2 4.43Å; Y40-F44 AromaticContact CE1-CE2 3.96Å; Y40-F44 HydrophobicContact CE1-CE2 3.96Å; F41-F44 HydrophobicContact CD1-CD2 4.08Å; F41-F44 HydrophobicContact CD1-CE2 4.32Å; F41-F44 PolarHBondContact O-N 2.82Å; S42-F44 PolarHBondContact O-N 2.91Å; F44-S74 PolarHBondContact O-OG 3.41Å; F44-K77 HydrophobicContact CB-CB 4.34Å; F44-K77 HydrophobicContact CD1-CB 4.18Å; F44-K77 VanDerWaalsContact O-CD 3.29Å; F44-K77 WeakPolarHBondContact O-CD 3.37Å; F44-V78 HydrophobicContact CB-CG2 3.62Å; F44-V78 HydrophobicContact CD1-CB 4.48Å; F44-V78 HydrophobicContact CD1-CG2 3.86Å; F44-V78 HydrophobicContact CD2-CG2 3.79Å; F44-V78 HydrophobicContact CE1-CG2 4.47Å; F44-V78 HydrophobicContact CE2-CG2 4.4Å; F44-V78 HydrophobicContact CG-CG2 3.47Å; F44-V78 VanDerWaalsContact CG-CG2 3.47Å; F44-Q81 HydrophobicContact CE1-CB 4.33Å; F44-H84 AromaticContact CZ-CE1 3.79Å; F44-H84 AromaticContact CZ-ND1 3.97Å |
| 45 | G | 92 | Very high | 91.1 | Very high | 19 Ų | 19 | 69.4 Ų | 69.4 | 20% | 0.196 | 34% | 0.335 | C | S | . | . | S | Bend | trans | 164.9 | -174.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F41 S42 I47 S74 | F41-G45 PolarHBondContact O-N 2.95Å; S42-G45 CarbonylContact C-O 3.58Å; S42-G45 VanDerWaalsContact CA-O 3.31Å; S42-G45 WeakPolarHBondContact CA-O 3.39Å; S42-G45 PolarHBondContact O-N 2.96Å; G45-I47 PolarHBondContact O-N 2.86Å; G45-S74 WeakPolarHBondContact CA-OG 3.44Å |
| 46 | E | 93.1 | Very high | 90.5 | Very high | 137 Ų | 137 | 69.6 Ų | 69.6 | 64% | 0.64 | 34% | 0.342 | S | S | * | . | trans | -72.1 | 130.6 | -172.6 | -178.5 | 171.1 | 80.7 | 0 | 0 | 112.1 | F69 T70 | E46-F69 WeakPolarHBondContact O-CA 3.47Å; E46-T70 HydrophobicContact CB-CG2 4.33Å; E46-T70 WeakPolarHBondContact CB-OG1 3.38Å; E46-T70 HydrophobicContact CG-CG2 3.87Å; E46-T70 PolarHBondContact O-N 3.47Å; E46-T70 PolarHBondContact O-OG1 3.1Å | ||
| 47 | I | 92.1 | Very high | 90 | Very high | 25 Ų | 25 | 73.7 Ų | 73.7 | 13% | 0.128 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 118.8 | -177 | -55.2 | -77.3 | 0 | 0 | 0 | 108.5 | R38 F41 G45 C50 V67 F69 | R38-I47 HydrophobicContact CG-CB 4Å; R38-I47 HydrophobicContact CG-CG1 4.03Å; R38-I47 HydrophobicContact CG-CG2 4.1Å; F41-I47 HydrophobicContact CB-CD1 3.46Å; F41-I47 VanDerWaalsContact CB-CD1 3.46Å; F41-I47 HydrophobicContact CB-CG1 4.47Å; G45-I47 PolarHBondContact O-N 2.86Å; I47-C50 HydrophobicContact CG2-CB 4.26Å; I47-V67 HydrophobicContact CD1-CG1 3.38Å; I47-V67 HydrophobicContact CG2-CG1 4.3Å; I47-F69 HydrophobicContact CD1-CD1 3.75Å; I47-F69 HydrophobicContact CD1-CE1 3.37Å; I47-F69 HydrophobicContact CD1-CZ 3.9Å; I47-F69 HydrophobicContact CG1-CE1 4.47Å |
| 48 | R | 91.1 | Very high | 89.6 | Confident | 157 Ų | 157 | 77.7 Ų | 77.7 | 59% | 0.592 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.8 | -46 | 171.2 | -178.1 | 178.1 | 155 | -152 | -5.5 | 111.3 | D19 T68 T70 | D19-R48 VanDerWaalsContact CG-NH1 3.3Å; D19-R48 IonicContact OD1-NH1 3.07Å; D19-R48 PolarHBondContact OD1-NH1 2.91Å; D19-R48 VanDerWaalsContact OD1-NH1 3.07Å; D19-R48 IonicContact OD2-CZ 3.79Å; D19-R48 IonicContact OD2-NH1 2.81Å; D19-R48 PolarHBondContact OD2-NH1 3.04Å; D19-R48 IonicContact OD2-NH2 3.94Å; R48-T68 WeakPolarHBondContact CA-O 3.33Å; R48-T68 HydrophobicContact CB-CG2 4.37Å; R48-T68 WeakPolarHBondContact CB-O 3.45Å; R48-T68 PolarHBondContact N-O 2.86Å; R48-T70 HydrophobicContact CB-CG2 3.79Å |
| 49 | E | 89.1 | Confident | 88.9 | Confident | 120 Ų | 120 | 79 Ų | 79 | 56% | 0.561 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 146.7 | -178.1 | -169.9 | 175.7 | 78.8 | 0 | 0 | 111.2 | V67 T68 | E49-V67 CarbonylContact O-C 3.6Å; E49-T68 PolarHBondContact N-O 2.87Å; E49-T68 PolarHBondContact O-N 2.8Å |
| 50 | C | 90.5 | Very high | 88.2 | Confident | 32 Ų | 32 | 80.9 Ų | 80.9 | 22% | 0.216 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 142.6 | 170.8 | 61.9 | 0 | 0 | 0 | 0 | 110.1 | P34 I47 F66 V67 | P34-C50 PolarHBondContact O-SG 3.24Å; I47-C50 HydrophobicContact CG2-CB 4.26Å; C50-F66 CarbonylContact C-O 3.49Å; C50-F66 WeakPolarHBondContact CA-O 3.5Å; C50-V67 HydrophobicContact CB-CG2 4.31Å |
| 51 | M | 89.1 | Confident | 87.9 | Confident | 93 Ų | 93 | 79.8 Ų | 79.8 | 46% | 0.458 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 120.6 | -173.8 | -161 | -172.3 | -173.9 | 0 | 0 | 110.5 | M53 G65 F66 | M51-M53 HydrophobicContact CE-CE 3.18Å; M51-M53 HydrophobicContact CG-CE 4.11Å; M51-M53 HydrophobicContact SD-CE 3.51Å; M51-M53 VanDerWaalsContact SD-CE 3.51Å; M51-G65 CarbonylContact O-C 3.59Å; M51-G65 WeakPolarHBondContact O-CA 3.29Å; M51-F66 PolarHBondContact N-O 2.86Å; M51-F66 PolarHBondContact O-N 2.96Å |
| 52 | V | 90.9 | Very high | 87.5 | Confident | 15 Ų | 15 | 87.3 Ų | 87.3 | 9% | 0.091 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 125.3 | 170.6 | 179.3 | 0 | 0 | 0 | 0 | 108.7 | L28 P34 L37 R54 S61 | L28-V52 HydrophobicContact CD1-CG2 4.49Å; P34-V52 HydrophobicContact CB-CG2 4.25Å; L37-V52 HydrophobicContact CD1-CG2 3.54Å; V52-R54 HydrophobicContact CB-CG 4.46Å; V52-R54 HydrophobicContact CG1-CG 3.91Å; V52-R54 PolarHBondContact O-N 2.83Å; V52-S61 WeakPolarHBondContact CG1-OG 3.44Å |
| 53 | M | 87.3 | Confident | 87.3 | Confident | 50 Ų | 50 | 84.7 Ų | 84.7 | 25% | 0.246 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 111.7 | 173.5 | -80.7 | -75.8 | 109.9 | 0 | 0 | 109.3 | M51 R62 F64 F66 | M51-M53 HydrophobicContact CE-CE 3.18Å; M51-M53 HydrophobicContact CG-CE 4.11Å; M51-M53 HydrophobicContact SD-CE 3.51Å; M51-M53 VanDerWaalsContact SD-CE 3.51Å; M53-R62 WeakPolarHBondContact O-CB 3.47Å; M53-R62 WeakPolarHBondContact O-CG 3.49Å; M53-R62 PolarHBondContact O-N 2.89Å; M53-F64 HydrophobicContact CB-CD2 3.93Å; M53-F64 HydrophobicContact CB-CE1 4.14Å; M53-F64 HydrophobicContact CB-CE2 3.5Å; M53-F64 HydrophobicContact CB-CG 4.44Å; M53-F64 HydrophobicContact CB-CZ 3.6Å; M53-F64 HydrophobicContact CG-CD2 4.06Å; M53-F64 HydrophobicContact CG-CE2 3.43Å; M53-F64 VanDerWaalsContact CG-CE2 3.43Å; M53-F64 HydrophobicContact CG-CZ 3.88Å; M53-F64 PolarHBondContact N-O 2.91Å; M53-F66 HydrophobicContact CG-CE2 4.31Å |
| 54 | R | 88.1 | Confident | 87.2 | Confident | 112 Ų | 112 | 79.2 Ų | 79.2 | 42% | 0.423 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 147.8 | 177.5 | -58.7 | -175.1 | 174.2 | 179.5 | -6.4 | 110.1 | T32 V52 R60 | T32-R54 PolarHBondContact O-NH2 3.37Å; T32-R54 VanDerWaalsContact O-NH2 3.08Å; V52-R54 HydrophobicContact CB-CG 4.46Å; V52-R54 HydrophobicContact CG1-CG 3.91Å; V52-R54 PolarHBondContact O-N 2.83Å; R54-R60 CarbonylContact C-O 3.59Å; R54-R60 VanDerWaalsContact CA-O 3.28Å; R54-R60 WeakPolarHBondContact CA-O 3.49Å |
| 55 | D | 83.5 | Confident | 87.2 | Confident | 54 Ų | 54 | 78 Ų | 78 | 29% | 0.289 | 38% | 0.378 | S | S | . | . | trans | -64 | 129.7 | 172.3 | -174.1 | -86.6 | 0 | 0 | 0 | 109.6 | T57 T58 K59 R60 | D55-T57 VanDerWaalsContact C-N 3.27Å; D55-T57 PolarHBondContact O-N 3.44Å; D55-T57 WeakPolarHBondContact OD1-CA 3.38Å; D55-T57 WeakPolarHBondContact OD1-CB 3.45Å; D55-T57 PolarHBondContact OD1-N 2.98Å; D55-T58 VanDerWaalsContact CB-OG1 3.26Å; D55-T58 WeakPolarHBondContact CB-OG1 3.4Å; D55-T58 VanDerWaalsContact CG-OG1 3.31Å; D55-T58 PolarHBondContact OD1-N 3.35Å; D55-T58 PolarHBondContact OD1-OG1 3.02Å; D55-T58 VanDerWaalsContact OD1-OG1 3.05Å; D55-K59 WeakPolarHBondContact O-CA 3.16Å; D55-K59 PolarHBondContact O-N 3.29Å; D55-R60 PolarHBondContact N-O 3.1Å | ||
| 56 | P | 78.4 | Confident | 87.2 | Confident | 99 Ų | 99 | 78.8 Ų | 78.8 | 64% | 0.643 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -27.8 | -174.3 | 26.3 | -33.8 | 0 | 0 | 0 | 113 | K59 | P56-K59 PolarHBondContact O-NZ 3.14Š|
| 57 | T | 81.6 | Confident | 87.2 | Confident | 122 Ų | 122 | 72.2 Ų | 72.2 | 75% | 0.748 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -52.9 | -175 | -53.5 | 0 | 0 | 0 | 0 | 111.2 | D55 | D55-T57 VanDerWaalsContact C-N 3.27Å; D55-T57 PolarHBondContact O-N 3.44Å; D55-T57 WeakPolarHBondContact OD1-CA 3.38Å; D55-T57 WeakPolarHBondContact OD1-CB 3.45Å; D55-T57 PolarHBondContact OD1-N 2.98Å |
| 58 | T | 83.1 | Confident | 87.2 | Confident | 83 Ų | 83 | 71.4 Ų | 71.4 | 51% | 0.509 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -10.2 | -176.2 | 63.5 | 0 | 0 | 0 | 0 | 113.2 | D55 R60 | D55-T58 VanDerWaalsContact CB-OG1 3.26Å; D55-T58 WeakPolarHBondContact CB-OG1 3.4Å; D55-T58 VanDerWaalsContact CG-OG1 3.31Å; D55-T58 PolarHBondContact OD1-N 3.35Å; D55-T58 PolarHBondContact OD1-OG1 3.02Å; D55-T58 VanDerWaalsContact OD1-OG1 3.05Å; T58-R60 PolarHBondContact O-N 3.35Å |
| 59 | K | 77.9 | Confident | 87.2 | Confident | 149 Ų | 149 | 64 Ų | 64 | 65% | 0.648 | 31% | 0.313 | S | S | * | . | trans | 56.5 | 6 | -173.3 | -58.3 | -61.6 | -173.9 | -172.3 | 0 | 114.9 | D55 P56 | D55-K59 WeakPolarHBondContact O-CA 3.16Å; D55-K59 PolarHBondContact O-N 3.29Å; P56-K59 PolarHBondContact O-NZ 3.14Å | ||
| 60 | R | 79.9 | Confident | 87.3 | Confident | 151 Ų | 151 | 61.8 Ų | 61.8 | 57% | 0.57 | 31% | 0.308 | S | S | * | . | trans | -68.8 | 141.4 | 175.1 | -83.3 | -167 | -132.4 | -165 | 2.7 | 110.8 | R54 D55 T58 R62 | R54-R60 CarbonylContact C-O 3.59Å; R54-R60 VanDerWaalsContact CA-O 3.28Å; R54-R60 WeakPolarHBondContact CA-O 3.49Å; D55-R60 PolarHBondContact N-O 3.1Å; T58-R60 PolarHBondContact O-N 3.35Å; R60-R62 PolarHBondContact O-N 2.93Å | ||
| 61 | S | 85.6 | Confident | 87.3 | Confident | 6 Ų | 6 | 64.5 Ų | 64.5 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 136.4 | 168.1 | 173.6 | 0 | 0 | 0 | 0 | 110.1 | S29 W30 V52 G63 | S29-S61 PolarHBondContact O-OG 3.24Å; W30-S61 VanDerWaalsContact O-CB 3.31Å; W30-S61 WeakPolarHBondContact O-CB 3.07Å; V52-S61 WeakPolarHBondContact CG1-OG 3.44Å; S61-G63 PolarHBondContact O-N 3.04Å; S61-G63 PolarHBondContact OG-N 2.78Å |
| 62 | R | 84.9 | Confident | 87.2 | Confident | 158 Ų | 158 | 62.4 Ų | 62.4 | 60% | 0.596 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79 | 5 | 176.4 | -61.8 | -176.6 | 64.4 | -171.7 | -2.2 | 112.3 | M53 R60 F64 | M53-R62 WeakPolarHBondContact O-CB 3.47Å; M53-R62 WeakPolarHBondContact O-CG 3.49Å; M53-R62 PolarHBondContact O-N 2.89Å; R60-R62 PolarHBondContact O-N 2.93Å; R62-F64 VanDerWaalsContact C-N 3.31Å; R62-F64 HydrophobicContact CB-CD1 3.68Å; R62-F64 HydrophobicContact CB-CE1 3.4Å; R62-F64 VanDerWaalsContact CB-CE1 3.4Å; R62-F64 HydrophobicContact CB-CZ 4.37Å; R62-F64 HydrophobicContact CG-CE1 4.31Å; R62-F64 WeakPolarHBondContact O-CD1 3.42Å |
| 63 | G | 89 | Confident | 87.2 | Confident | 14 Ų | 14 | 64.1 Ų | 64.1 | 14% | 0.144 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.9 | 17.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | G27 L28 S61 | G27-G63 PolarHBondContact N-O 2.81Å; G27-G63 VanDerWaalsContact N-O 3.1Å; L28-G63 PolarHBondContact N-O 3.22Å; L28-G63 WeakPolarHBondContact O-CA 3.35Å; S61-G63 PolarHBondContact O-N 3.04Å; S61-G63 PolarHBondContact OG-N 2.78Å |
| 64 | F | 91.8 | Very high | 87.4 | Confident | 43 Ų | 43 | 62 Ų | 62 | 19% | 0.189 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 160.4 | 174.4 | 72.1 | -87.2 | 0 | 0 | 0 | 112.3 | F24 I25 L28 M53 R62 F66 | F24-F64 HydrophobicContact CD2-CD2 4.42Å; F24-F64 HydrophobicContact CE2-CB 3.78Å; F24-F64 AromaticContact CE2-CD2 3.63Å; F24-F64 HydrophobicContact CE2-CD2 3.63Å; F24-F64 HydrophobicContact CE2-CE2 4.48Å; F24-F64 AromaticContact CE2-CG 3.97Å; F24-F64 HydrophobicContact CE2-CG 3.97Å; F24-F64 HydrophobicContact CZ-CB 3.81Å; F24-F64 HydrophobicContact CZ-CD2 4.45Å; F24-F64 HydrophobicContact CZ-CG 4.35Å; I25-F64 CarbonylContact O-C 3.58Å; I25-F64 WeakPolarHBondContact O-CA 3.15Å; I25-F64 WeakPolarHBondContact O-CB 3.31Å; L28-F64 VanDerWaalsContact CD1-C 3.48Å; M53-F64 HydrophobicContact CB-CD2 3.93Å; M53-F64 HydrophobicContact CB-CE1 4.14Å; M53-F64 HydrophobicContact CB-CE2 3.5Å; M53-F64 HydrophobicContact CB-CG 4.44Å; M53-F64 HydrophobicContact CB-CZ 3.6Å; M53-F64 HydrophobicContact CG-CD2 4.06Å; M53-F64 HydrophobicContact CG-CE2 3.43Å; M53-F64 VanDerWaalsContact CG-CE2 3.43Å; M53-F64 HydrophobicContact CG-CZ 3.88Å; M53-F64 PolarHBondContact N-O 2.91Å; R62-F64 VanDerWaalsContact C-N 3.31Å; R62-F64 HydrophobicContact CB-CD1 3.68Å; R62-F64 HydrophobicContact CB-CE1 3.4Å; R62-F64 VanDerWaalsContact CB-CE1 3.4Å; R62-F64 HydrophobicContact CB-CZ 4.37Å; R62-F64 HydrophobicContact CG-CE1 4.31Å; R62-F64 WeakPolarHBondContact O-CD1 3.42Å; F64-F66 HydrophobicContact CD2-CE2 4.48Å; F64-F66 HydrophobicContact CE2-CE2 4.31Å |
| 65 | G | 91.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | -176.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I25 M51 | I25-G65 PolarHBondContact N-O 3.25Å; I25-G65 PolarHBondContact O-N 2.75Å; M51-G65 CarbonylContact O-C 3.59Å; M51-G65 WeakPolarHBondContact O-CA 3.29Å |
| 66 | F | 92.4 | Very high | 87.9 | Confident | 34 Ų | 34 | 60.2 Ų | 60.2 | 15% | 0.149 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 146.1 | 173.9 | -63.9 | -84.2 | 0 | 0 | 0 | 109.7 | M23 F24 C50 M51 M53 F64 A96 | M23-F66 CarbonylContact O-C 3.41Å; M23-F66 WeakPolarHBondContact O-CA 3.34Å; F24-F66 HydrophobicContact CB-CD1 4.31Å; F24-F66 HydrophobicContact CB-CE1 4.09Å; F24-F66 HydrophobicContact CD2-CD1 4.48Å; F24-F66 AromaticContact CD2-CE1 3.84Å; F24-F66 HydrophobicContact CD2-CE1 3.84Å; F24-F66 HydrophobicContact CD2-CZ 4.01Å; F24-F66 HydrophobicContact CG-CE1 4.48Å; C50-F66 CarbonylContact C-O 3.49Å; C50-F66 WeakPolarHBondContact CA-O 3.5Å; M51-F66 PolarHBondContact N-O 2.86Å; M51-F66 PolarHBondContact O-N 2.96Å; M53-F66 HydrophobicContact CG-CE2 4.31Å; F64-F66 HydrophobicContact CD2-CE2 4.48Å; F64-F66 HydrophobicContact CE2-CE2 4.31Å; F66-A96 HydrophobicContact CD1-CB 4.35Å; F66-A96 HydrophobicContact CE1-CB 4.47Å |
| 67 | V | 92.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 133.6 | 172.7 | 173 | 0 | 0 | 0 | 0 | 107.3 | K22 M23 I25 L37 F41 I47 E49 C50 F69 | K22-V67 CarbonylContact C-O 3.52Å; K22-V67 WeakPolarHBondContact CA-O 3.23Å; M23-V67 PolarHBondContact N-O 2.85Å; M23-V67 PolarHBondContact O-N 3.29Å; I25-V67 HydrophobicContact CD1-CB 4.35Å; I25-V67 HydrophobicContact CD1-CG2 4.2Å; I25-V67 HydrophobicContact CG1-CB 4.35Å; I25-V67 HydrophobicContact CG1-CG2 3.79Å; L37-V67 HydrophobicContact CD2-CG2 4.14Å; F41-V67 HydrophobicContact CB-CG1 4.28Å; F41-V67 HydrophobicContact CD2-CG2 3.79Å; F41-V67 HydrophobicContact CE2-CG2 4.23Å; F41-V67 HydrophobicContact CG-CG1 4.46Å; F41-V67 HydrophobicContact CG-CG2 4.42Å; I47-V67 HydrophobicContact CD1-CG1 3.38Å; I47-V67 HydrophobicContact CG2-CG1 4.3Å; E49-V67 CarbonylContact O-C 3.6Å; C50-V67 HydrophobicContact CB-CG2 4.31Å; V67-F69 HydrophobicContact CG1-CD2 4.19Å; V67-F69 HydrophobicContact CG1-CE2 3.81Å; V67-F69 HydrophobicContact CG1-CZ 4.02Å |
| 68 | T | 91.4 | Very high | 89.1 | Confident | 7 Ų | 7 | 55.4 Ų | 55.4 | 4% | 0.043 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 115 | 175.7 | -51.1 | 0 | 0 | 0 | 0 | 107 | D19 G21 R48 E49 | D19-T68 HydrophobicContact CB-CG2 4.45Å; G21-T68 WeakPolarHBondContact O-CA 3.1Å; R48-T68 WeakPolarHBondContact CA-O 3.33Å; R48-T68 HydrophobicContact CB-CG2 4.37Å; R48-T68 WeakPolarHBondContact CB-O 3.45Å; R48-T68 PolarHBondContact N-O 2.86Å; E49-T68 PolarHBondContact N-O 2.87Å; E49-T68 PolarHBondContact O-N 2.8Å |
| 69 | F | 92.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 155.9 | 172.4 | -68.9 | -83.4 | 0 | 0 | 0 | 110.8 | G21 M23 F41 E46 I47 V67 D71 V75 V78 | G21-F69 WeakPolarHBondContact O-CD2 3.26Å; G21-F69 PolarHBondContact O-N 3.05Å; M23-F69 HydrophobicContact CE-CE2 3.83Å; M23-F69 HydrophobicContact CG-CD2 4.42Å; M23-F69 HydrophobicContact CG-CE2 4.26Å; F41-F69 HydrophobicContact CB-CE1 4.2Å; F41-F69 HydrophobicContact CB-CZ 3.85Å; F41-F69 AromaticContact CD1-CZ 3.97Å; F41-F69 HydrophobicContact CD1-CZ 3.97Å; F41-F69 HydrophobicContact CG-CZ 4.22Å; F41-F69 WeakPolarHBondContact O-CE1 3.29Å; E46-F69 WeakPolarHBondContact O-CA 3.47Å; I47-F69 HydrophobicContact CD1-CD1 3.75Å; I47-F69 HydrophobicContact CD1-CE1 3.37Å; I47-F69 HydrophobicContact CD1-CZ 3.9Å; I47-F69 HydrophobicContact CG1-CE1 4.47Å; V67-F69 HydrophobicContact CG1-CD2 4.19Å; V67-F69 HydrophobicContact CG1-CE2 3.81Å; V67-F69 HydrophobicContact CG1-CZ 4.02Å; F69-D71 VanDerWaalsContact C-N 3.31Å; F69-D71 VanDerWaalsContact CB-O 3.31Å; F69-D71 WeakPolarHBondContact CB-O 3.43Å; F69-V75 HydrophobicContact CD2-CG2 4.04Å; F69-V78 HydrophobicContact CE2-CG2 4.24Å; F69-V78 HydrophobicContact CZ-CG2 3.88Å |
| 70 | T | 90.7 | Very high | 90.1 | Very high | 74 Ų | 74 | 51.9 Ų | 51.9 | 45% | 0.454 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -71.1 | -32.4 | 168.6 | 55 | 0 | 0 | 0 | 0 | 111.3 | E46 R48 | E46-T70 HydrophobicContact CB-CG2 4.33Å; E46-T70 WeakPolarHBondContact CB-OG1 3.38Å; E46-T70 HydrophobicContact CG-CG2 3.87Å; E46-T70 PolarHBondContact O-N 3.47Å; E46-T70 PolarHBondContact O-OG1 3.1Å; R48-T70 HydrophobicContact CB-CG2 3.79Å |
| 71 | D | 89.8 | Confident | 90.7 | Very high | 90 Ų | 90 | 48.9 Ų | 48.9 | 48% | 0.481 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -121.4 | 138.7 | -178 | -166.6 | -93.4 | 0 | 0 | 0 | 112.2 | F69 A73 S74 | F69-D71 VanDerWaalsContact C-N 3.31Å; F69-D71 VanDerWaalsContact CB-O 3.31Å; F69-D71 WeakPolarHBondContact CB-O 3.43Å; D71-A73 VanDerWaalsContact C-N 3.31Å; D71-A73 PolarHBondContact O-N 2.97Å; D71-A73 WeakPolarHBondContact OD1-CA 3.12Å; D71-A73 WeakPolarHBondContact OD1-CB 3.26Å; D71-A73 PolarHBondContact OD1-N 3.31Å; D71-S74 WeakPolarHBondContact O-CB 3.5Å; D71-S74 PolarHBondContact O-N 3.36Å |
| 72 | A | 87.4 | Confident | 90.6 | Very high | 49 Ų | 49 | 58.4 Ų | 58.4 | 41% | 0.405 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -21.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | P20 S74 V75 | P20-A72 HydrophobicContact CB-CB 4.19Å; P20-A72 HydrophobicContact CG-CB 4.44Å; A72-S74 PolarHBondContact O-N 2.97Å; A72-V75 WeakPolarHBondContact O-CB 3.31Å; A72-V75 PolarHBondContact O-N 2.87Å; A72-V75 VanDerWaalsContact O-N 3.1Å |
| 73 | A | 90.9 | Very high | 90.9 | Very high | 51 Ų | 51 | 55.9 Ų | 55.9 | 42% | 0.421 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.4 | -23.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | D71 V75 D76 K77 | D71-A73 VanDerWaalsContact C-N 3.31Å; D71-A73 PolarHBondContact O-N 2.97Å; D71-A73 WeakPolarHBondContact OD1-CA 3.12Å; D71-A73 WeakPolarHBondContact OD1-CB 3.26Å; D71-A73 PolarHBondContact OD1-N 3.31Å; A73-V75 VanDerWaalsContact C-N 3.26Å; A73-V75 PolarHBondContact O-N 3.16Å; A73-D76 PolarHBondContact O-N 3.46Å; A73-K77 WeakPolarHBondContact O-CG 3.28Å; A73-K77 PolarHBondContact O-N 3.29Å |
| 74 | S | 92.1 | Very high | 91 | Very high | 6 Ų | 6 | 55.6 Ų | 55.6 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64 | -32 | 172.7 | -61.7 | 0 | 0 | 0 | 0 | 112.5 | F44 G45 D71 A72 K77 V78 | F44-S74 PolarHBondContact O-OG 3.41Å; G45-S74 WeakPolarHBondContact CA-OG 3.44Å; D71-S74 WeakPolarHBondContact O-CB 3.5Å; D71-S74 PolarHBondContact O-N 3.36Å; A72-S74 PolarHBondContact O-N 2.97Å; S74-K77 PolarHBondContact O-N 3.08Å; S74-V78 WeakPolarHBondContact O-CG2 3.16Å; S74-V78 PolarHBondContact O-N 2.91Å; S74-V78 VanDerWaalsContact O-N 3.14Å |
| 75 | V | 90.5 | Very high | 91.1 | Very high | 12 Ų | 12 | 58.3 Ų | 58.3 | 7% | 0.073 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 175.8 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | M23 F69 A72 A73 K77 V78 L79 V95 | M23-V75 HydrophobicContact CG-CB 4.42Å; M23-V75 HydrophobicContact CG-CG1 4.19Å; M23-V75 HydrophobicContact CG-CG2 3.7Å; M23-V75 HydrophobicContact SD-CB 4.14Å; M23-V75 HydrophobicContact SD-CG1 3.56Å; M23-V75 VanDerWaalsContact SD-CG1 3.56Å; M23-V75 HydrophobicContact SD-CG2 4.07Å; F69-V75 HydrophobicContact CD2-CG2 4.04Å; A72-V75 WeakPolarHBondContact O-CB 3.31Å; A72-V75 PolarHBondContact O-N 2.87Å; A72-V75 VanDerWaalsContact O-N 3.1Å; A73-V75 VanDerWaalsContact C-N 3.26Å; A73-V75 PolarHBondContact O-N 3.16Å; V75-K77 VanDerWaalsContact C-N 3.33Å; V75-K77 PolarHBondContact O-N 3.1Å; V75-V78 PolarHBondContact O-N 3.14Å; V75-L79 HydrophobicContact CG1-CD1 3.83Å; V75-L79 HydrophobicContact CG1-CG 4.38Å; V75-L79 WeakPolarHBondContact O-CG 3.49Å; V75-L79 PolarHBondContact O-N 2.99Å; V75-V95 HydrophobicContact CG1-CG2 4.48Å |
| 76 | D | 91.1 | Very high | 91 | Very high | 115 Ų | 115 | 59 Ų | 59 | 62% | 0.615 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -60.2 | -43.7 | 178.2 | -170 | -101.4 | 0 | 0 | 0 | 111.6 | A73 V78 L79 A80 | A73-D76 PolarHBondContact O-N 3.46Å; D76-V78 VanDerWaalsContact C-N 3.31Å; D76-V78 PolarHBondContact O-N 3.35Å; D76-L79 PolarHBondContact O-N 3.43Å; D76-A80 WeakPolarHBondContact O-CB 3.38Å; D76-A80 PolarHBondContact O-N 2.93Å |
| 77 | K | 93.1 | Very high | 90.7 | Very high | 120 Ų | 120 | 61 Ų | 61 | 52% | 0.522 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.3 | -38.1 | 176 | -68.5 | 174.5 | -178.6 | 179.3 | 0 | 113.3 | F44 A73 S74 V75 | F44-K77 HydrophobicContact CB-CB 4.34Å; F44-K77 HydrophobicContact CD1-CB 4.18Å; F44-K77 VanDerWaalsContact O-CD 3.29Å; F44-K77 WeakPolarHBondContact O-CD 3.37Å; A73-K77 WeakPolarHBondContact O-CG 3.28Å; A73-K77 PolarHBondContact O-N 3.29Å; S74-K77 PolarHBondContact O-N 3.08Å; V75-K77 VanDerWaalsContact C-N 3.33Å; V75-K77 PolarHBondContact O-N 3.1Å |
| 78 | V | 92.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -68.5 | -48.3 | 175.6 | 177.5 | 0 | 0 | 0 | 0 | 109.7 | M23 F41 F44 F69 S74 V75 D76 A80 Q81 H84 P93 | M23-V78 HydrophobicContact CE-CB 3.39Å; M23-V78 HydrophobicContact CE-CG1 3.38Å; M23-V78 HydrophobicContact CE-CG2 3.68Å; F41-V78 HydrophobicContact CD1-CG1 4.37Å; F41-V78 HydrophobicContact CD1-CG2 3.89Å; F41-V78 HydrophobicContact CE1-CG1 3.73Å; F41-V78 HydrophobicContact CE1-CG2 4.09Å; F44-V78 HydrophobicContact CB-CG2 3.62Å; F44-V78 HydrophobicContact CD1-CB 4.48Å; F44-V78 HydrophobicContact CD1-CG2 3.86Å; F44-V78 HydrophobicContact CD2-CG2 3.79Å; F44-V78 HydrophobicContact CE1-CG2 4.47Å; F44-V78 HydrophobicContact CE2-CG2 4.4Å; F44-V78 HydrophobicContact CG-CG2 3.47Å; F44-V78 VanDerWaalsContact CG-CG2 3.47Å; F69-V78 HydrophobicContact CE2-CG2 4.24Å; F69-V78 HydrophobicContact CZ-CG2 3.88Å; S74-V78 WeakPolarHBondContact O-CG2 3.16Å; S74-V78 PolarHBondContact O-N 2.91Å; S74-V78 VanDerWaalsContact O-N 3.14Å; V75-V78 PolarHBondContact O-N 3.14Å; D76-V78 VanDerWaalsContact C-N 3.31Å; D76-V78 PolarHBondContact O-N 3.35Å; V78-A80 PolarHBondContact O-N 2.95Å; V78-Q81 WeakPolarHBondContact O-CB 3.42Å; V78-Q81 PolarHBondContact O-N 3.05Å; V78-H84 PolarHBondContact O-CE1 2.81Å; V78-H84 PolarHBondContact O-NE2 2.8Å; V78-P93 HydrophobicContact CG1-CB 3.62Å; V78-P93 HydrophobicContact CG1-CG 3.53Å |
| 79 | L | 90.3 | Very high | 90.4 | Very high | 79 Ų | 79 | 70.3 Ų | 70.3 | 41% | 0.414 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.5 | -28 | -179.5 | -66.3 | 172.2 | 0 | 0 | 0 | 113.3 | V75 D76 Q81 V95 | V75-L79 HydrophobicContact CG1-CD1 3.83Å; V75-L79 HydrophobicContact CG1-CG 4.38Å; V75-L79 WeakPolarHBondContact O-CG 3.49Å; V75-L79 PolarHBondContact O-N 2.99Å; D76-L79 PolarHBondContact O-N 3.43Å; L79-Q81 PolarHBondContact O-N 3.5Å; L79-V95 HydrophobicContact CD1-CG2 3.82Å |
| 80 | A | 91.9 | Very high | 90.4 | Very high | 79 Ų | 79 | 74.5 Ų | 74.5 | 65% | 0.653 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -22 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D76 V78 | D76-A80 WeakPolarHBondContact O-CB 3.38Å; D76-A80 PolarHBondContact O-N 2.93Å; V78-A80 PolarHBondContact O-N 2.95Å |
| 81 | Q | 90.8 | Very high | 90.6 | Very high | 88 Ų | 88 | 71.2 Ų | 71.2 | 41% | 0.411 | 39% | 0.391 | S | S | . | . | trans | -88.5 | 122.2 | 177.8 | -177.7 | 149.8 | -55 | 0 | 0 | 110.9 | F44 V78 L79 H83 H84 | F44-Q81 HydrophobicContact CE1-CB 4.33Å; V78-Q81 WeakPolarHBondContact O-CB 3.42Å; V78-Q81 PolarHBondContact O-N 3.05Å; L79-Q81 PolarHBondContact O-N 3.5Å; Q81-H83 WeakPolarHBondContact CG-O 3.24Å; Q81-H83 PolarHBondContact NE2-O 3.46Å; Q81-H83 VanDerWaalsContact NE2-O 3.14Å; Q81-H84 PolarHBondContact O-NE2 2.88Å; Q81-H84 VanDerWaalsContact O-NE2 3.16Å | ||
| 82 | Q | 84.7 | Confident | 90.7 | Very high | 207 Ų | 207 | 71.5 Ų | 71.5 | 97% | 0.967 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -73.4 | -26.4 | -178 | -80.5 | -164.7 | -77.7 | 0 | 0 | 114.3 | ||
| 83 | H | 90.1 | Very high | 90.9 | Very high | 104 Ų | 104 | 69.8 Ų | 69.8 | 48% | 0.481 | 38% | 0.378 | S | S | . | . | trans | -129.3 | 123 | -174 | -170 | 89.8 | 0 | 0 | 0 | 111.3 | Q81 | Q81-H83 WeakPolarHBondContact CG-O 3.24Å; Q81-H83 PolarHBondContact NE2-O 3.46Å; Q81-H83 VanDerWaalsContact NE2-O 3.14Å | ||
| 84 | H | 92.9 | Very high | 90.9 | Very high | 8 Ų | 8 | 72.3 Ų | 72.3 | 4% | 0.037 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 129.9 | 174 | -62.1 | -80.1 | 0 | 0 | 0 | 110.2 | Y40 F44 V78 Q81 T90 I91 P93 | Y40-H84 HydrophobicContact CE1-CB 4.37Å; Y40-H84 AromaticContact CE1-ND1 3.82Å; Y40-H84 AromaticContact CZ-ND1 3.92Å; Y40-H84 WeakPolarHBondContact OH-CA 3.42Å; Y40-H84 PolarHBondContact OH-ND1 3.34Å; Y40-H84 VanDerWaalsContact OH-ND1 3.1Å; F44-H84 AromaticContact CZ-CE1 3.79Å; F44-H84 AromaticContact CZ-ND1 3.97Å; V78-H84 PolarHBondContact O-CE1 2.81Å; V78-H84 PolarHBondContact O-NE2 2.8Å; Q81-H84 PolarHBondContact O-NE2 2.88Å; Q81-H84 VanDerWaalsContact O-NE2 3.16Å; H84-T90 CarbonylContact O-C 3.55Å; H84-T90 VanDerWaalsContact O-CA 3.29Å; H84-T90 WeakPolarHBondContact O-CA 3.43Å; H84-T90 WeakPolarHBondContact O-CG2 3.38Å; H84-I91 HydrophobicContact CB-CD1 3.98Å; H84-I91 HydrophobicContact CB-CG1 3.34Å; H84-I91 PolarHBondContact O-N 2.87Å; H84-P93 HydrophobicContact CB-CG 4.39Å; H84-P93 VanDerWaalsContact CD2-CD 3.45Å; H84-P93 WeakPolarHBondContact CD2-CD 3.35Å; H84-P93 WeakPolarHBondContact CD2-CG 3.4Å; H84-P93 WeakPolarHBondContact NE2-CG 3.47Å |
| 85 | E | 92.3 | Very high | 90.7 | Very high | 101 Ų | 101 | 75.4 Ų | 75.4 | 47% | 0.472 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 132.5 | 177.9 | -169.2 | -178.8 | 95.2 | 0 | 0 | 109.6 | Y40 K89 | Y40-E85 WeakPolarHBondContact CE2-O 3.42Å; E85-K89 WeakPolarHBondContact CA-O 3.18Å |
| 86 | L | 90.7 | Very high | 90.4 | Very high | 15 Ų | 15 | 75.2 Ų | 75.2 | 8% | 0.079 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 133.4 | 176.8 | -173.5 | 79.5 | 0 | 0 | 0 | 108.9 | L28 T32 L37 Y40 S88 K89 I91 | L28-L86 HydrophobicContact CD2-CD2 4.22Å; T32-L86 HydrophobicContact CG2-CD2 3.47Å; T32-L86 VanDerWaalsContact CG2-CD2 3.47Å; L37-L86 HydrophobicContact CD2-CD2 4.24Å; L37-L86 HydrophobicContact CG-CD2 4.3Å; Y40-L86 VanDerWaalsContact CB-CD1 3.48Å; Y40-L86 HydrophobicContact CD2-CD1 4.05Å; Y40-L86 HydrophobicContact CG-CD1 3.81Å; L86-S88 PolarHBondContact O-N 3.44Å; L86-K89 PolarHBondContact N-O 3.4Å; L86-K89 WeakPolarHBondContact O-CB 3.46Å; L86-K89 PolarHBondContact O-N 3.36Å; L86-K89 VanDerWaalsContact O-O 3.06Å; L86-I91 HydrophobicContact CB-CD1 4.06Å; L86-I91 HydrophobicContact CB-CG2 3.87Å |
| 87 | D | 86.8 | Confident | 89.7 | Confident | 76 Ų | 76 | 77.5 Ų | 77.5 | 41% | 0.406 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 40.2 | -178.7 | -59.7 | -60.3 | 0 | 0 | 0 | 112.9 | T32 K89 | T32-D87 WeakPolarHBondContact CA-OD2 3.31Å; T32-D87 WeakPolarHBondContact CB-OD2 3.03Å; T32-D87 PolarHBondContact OG1-OD2 2.81Å; D87-K89 PolarHBondContact O-N 3.09Å |
| 88 | S | 87.6 | Confident | 88.3 | Confident | 109 Ų | 109 | 75 Ų | 75 | 76% | 0.762 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 25.8 | -175.3 | -54.8 | 0 | 0 | 0 | 0 | 114.3 | L86 | L86-S88 PolarHBondContact O-N 3.44Š|
| 89 | K | 89.9 | Confident | 86.6 | Confident | 93 Ų | 93 | 83.4 Ų | 83.4 | 40% | 0.404 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 136 | 173.1 | -96.6 | 165.7 | 171.7 | -78.4 | 0 | 109.9 | S29 E85 L86 D87 I91 | S29-K89 VanDerWaalsContact CA-CD 3.43Å; S29-K89 VanDerWaalsContact CB-CD 3.5Å; E85-K89 WeakPolarHBondContact CA-O 3.18Å; L86-K89 PolarHBondContact N-O 3.4Å; L86-K89 WeakPolarHBondContact O-CB 3.46Å; L86-K89 PolarHBondContact O-N 3.36Å; L86-K89 VanDerWaalsContact O-O 3.06Å; D87-K89 PolarHBondContact O-N 3.09Å; K89-I91 PolarHBondContact O-N 3.24Å |
| 90 | T | 92.5 | Very high | 84.8 | Confident | 88 Ų | 88 | 89.4 Ų | 89.4 | 54% | 0.54 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 126.7 | 170.5 | -48.5 | 0 | 0 | 0 | 0 | 109.6 | H84 | H84-T90 CarbonylContact O-C 3.55Å; H84-T90 VanDerWaalsContact O-CA 3.29Å; H84-T90 WeakPolarHBondContact O-CA 3.43Å; H84-T90 WeakPolarHBondContact O-CG2 3.38Å |
| 91 | I | 93.8 | Very high | 82.7 | Confident | 6 Ų | 6 | 89.2 Ų | 89.2 | 3% | 0.031 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 152 | 177.4 | 66.4 | 173.6 | 0 | 0 | 0 | 109.8 | I25 G26 L28 Y40 F41 H84 L86 K89 P93 | I25-I91 HydrophobicContact CG2-CB 4.17Å; I25-I91 HydrophobicContact CG2-CD1 3.97Å; I25-I91 HydrophobicContact CG2-CG1 4.46Å; G26-I91 WeakPolarHBondContact O-CA 3.45Å; G26-I91 WeakPolarHBondContact O-CB 3.48Å; L28-I91 HydrophobicContact CD2-CB 4.36Å; L28-I91 HydrophobicContact CD2-CG2 3.73Å; Y40-I91 HydrophobicContact CD1-CD1 4.15Å; Y40-I91 HydrophobicContact CE1-CD1 3.9Å; F41-I91 HydrophobicContact CE2-CD1 3.96Å; F41-I91 HydrophobicContact CZ-CD1 3.69Å; H84-I91 HydrophobicContact CB-CD1 3.98Å; H84-I91 HydrophobicContact CB-CG1 3.34Å; H84-I91 PolarHBondContact O-N 2.87Å; L86-I91 HydrophobicContact CB-CD1 4.06Å; L86-I91 HydrophobicContact CB-CG2 3.87Å; K89-I91 PolarHBondContact O-N 3.24Å; I91-P93 WeakPolarHBondContact O-CD 3.5Å |
| 92 | D | 92.3 | Very high | 80.5 | Confident | 96 Ų | 96 | 91.4 Ų | 91.4 | 51% | 0.513 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 89.2 | -178.6 | -173.4 | -110.9 | 0 | 0 | 0 | 109.1 | G26 | G26-D92 PolarHBondContact N-O 2.81Å; G26-D92 PolarHBondContact O-N 2.83Å |
| 93 | P | 92.3 | Very high | 78.4 | Confident | 13 Ų | 13 | 86.4 Ų | 86.4 | 8% | 0.084 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 132.6 | 172.4 | 28.1 | -28.6 | 0 | 0 | 0 | 110.5 | M23 F24 I25 F41 V78 H84 I91 | M23-P93 HydrophobicContact CE-CB 4.15Å; F24-P93 CarbonylContact O-C 3.56Å; F24-P93 WeakPolarHBondContact O-CA 3.48Å; I25-P93 HydrophobicContact CD1-CB 3.84Å; F41-P93 HydrophobicContact CE1-CB 4.24Å; F41-P93 HydrophobicContact CZ-CB 4.16Å; V78-P93 HydrophobicContact CG1-CB 3.62Å; V78-P93 HydrophobicContact CG1-CG 3.53Å; H84-P93 HydrophobicContact CB-CG 4.39Å; H84-P93 VanDerWaalsContact CD2-CD 3.45Å; H84-P93 WeakPolarHBondContact CD2-CD 3.35Å; H84-P93 WeakPolarHBondContact CD2-CG 3.4Å; H84-P93 WeakPolarHBondContact NE2-CG 3.47Å; I91-P93 WeakPolarHBondContact O-CD 3.5Å |
| 94 | K | 91.2 | Very high | 76.4 | Confident | 104 Ų | 104 | 90.9 Ų | 90.9 | 45% | 0.452 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 156.2 | 176.9 | -155.3 | 168 | 74.8 | 176.1 | 0 | 110.9 | M23 F24 A96 | M23-K94 CarbonylContact C-O 3.59Å; M23-K94 WeakPolarHBondContact CA-O 3.42Å; F24-K94 PolarHBondContact N-O 3.41Å; F24-K94 PolarHBondContact O-N 3.34Å; K94-A96 PolarHBondContact O-N 2.8Å |
| 95 | V | 87.7 | Confident | 74.1 | Confident | 70 Ų | 70 | 95.9 Ų | 95.9 | 42% | 0.424 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.3 | 126.1 | 172.4 | -175.6 | 0 | 0 | 0 | 0 | 109.3 | V75 L79 F97 | V75-V95 HydrophobicContact CG1-CG2 4.48Å; L79-V95 HydrophobicContact CD1-CG2 3.82Å; V95-F97 PolarHBondContact O-N 3.16Å |
| 96 | A | 84.3 | Confident | 71.7 | Confident | 9 Ų | 9 | 101 Ų | 101 | 7% | 0.074 | 51% | 0.505 | C | S | . | . | P | Polyproline II helix | trans | -72 | 121.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109 | K22 F24 F66 K94 | K22-A96 HydrophobicContact CB-CB 4.16Å; K22-A96 HydrophobicContact CD-CB 4.22Å; K22-A96 HydrophobicContact CG-CB 3.79Å; K22-A96 VanDerWaalsContact O-CB 3.23Å; K22-A96 WeakPolarHBondContact O-CB 3.15Å; K22-A96 PolarHBondContact O-N 3.49Å; K22-A96 VanDerWaalsContact O-N 3.1Å; F24-A96 HydrophobicContact CB-CB 4.45Å; F66-A96 HydrophobicContact CD1-CB 4.35Å; F66-A96 HydrophobicContact CE1-CB 4.47Å; K94-A96 PolarHBondContact O-N 2.8Å |
| 97 | F | 76 | Confident | 69.6 | Low | 162 Ų | 162 | 108 Ų | 108 | 71% | 0.711 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 135 | 166.9 | -67.9 | -76.4 | 0 | 0 | 0 | 109.2 | V95 R99 | V95-F97 PolarHBondContact O-N 3.16Å; F97-R99 PolarHBondContact O-N 2.92Å |
| 98 | P | 63.4 | Low | 67.4 | Low | 69 Ų | 69 | 110.7 Ų | 110.7 | 45% | 0.448 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 120.4 | 174.5 | 24.9 | -32.6 | 0 | 0 | 0 | 107.8 | Q17 R100 | Q17-P98 WeakPolarHBondContact O-CB 3.27Å; P98-R100 PolarHBondContact O-N 3.4Å |
| 99 | R | 58.4 | Low | 65.5 | Low | 176 Ų | 176 | 114.8 Ų | 114.8 | 66% | 0.664 | 56% | 0.558 | S | S | * | * | trans | -64 | 105.5 | 167.7 | -78 | 170.5 | 78.7 | -121.2 | 7.2 | 104.5 | F97 A101 | F97-R99 PolarHBondContact O-N 2.92Å; R99-A101 PolarHBondContact O-N 3.39Å | ||
| 100 | R | 52.2 | Low | 63.3 | Low | 204 Ų | 204 | 115.5 Ų | 115.5 | 77% | 0.77 | 58% | 0.575 | S | S | * | * | trans | -45.3 | 120.3 | 156.7 | -75.8 | -172.7 | -160.8 | 173.3 | 5.6 | 104.7 | P98 Q102 | P98-R100 PolarHBondContact O-N 3.4Å; R100-Q102 PolarHBondContact O-N 3.04Å | ||
| 101 | A | 46.5 | Very low | 61.2 | Low | 76 Ų | 76 | 118.8 Ų | 118.8 | 63% | 0.628 | 59% | 0.588 | S | S | * | * | trans | -45.7 | 97 | 179.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | R99 P103 | R99-A101 PolarHBondContact O-N 3.39Å; A101-P103 WeakPolarHBondContact O-CD 3.37Å; A101-P103 VanDerWaalsContact O-N 3.15Å | ||
| 102 | Q | 45.2 | Very low | 58.9 | Low | 134 Ų | 134 | 123.5 Ų | 123.5 | 63% | 0.626 | 62% | 0.622 | S | S | * | * | trans | -69.1 | 114.1 | 167.5 | -68.5 | -64 | -60 | 0 | 0 | 101.4 | R100 K104 | R100-Q102 PolarHBondContact O-N 3.04Å; Q102-K104 PolarHBondContact O-N 2.72Å; Q102-K104 VanDerWaalsContact O-N 3.13Å | ||
| 103 | P | 41.6 | Very low | 57 | Low | 101 Ų | 101 | 122.8 Ų | 122.8 | 66% | 0.656 | 63% | 0.629 | S | S | * | * | trans | -50 | 132.3 | 171.4 | 22.5 | -31 | 0 | 0 | 0 | 105 | A101 V105 | A101-P103 WeakPolarHBondContact O-CD 3.37Å; A101-P103 VanDerWaalsContact O-N 3.15Å; P103-V105 VanDerWaalsContact O-CG2 3.27Å; P103-V105 WeakPolarHBondContact O-CG2 3.49Å; P103-V105 PolarHBondContact O-N 3.22Å | ||
| 104 | K | 46.3 | Very low | 55.1 | Low | 199 Ų | 199 | 127.8 Ų | 127.8 | 87% | 0.865 | 67% | 0.665 | S | S | * | * | trans | -56.1 | 86.9 | 177 | -170.8 | 92.3 | 153.8 | -163.5 | 0 | 106.5 | Q102 R106 | Q102-K104 PolarHBondContact O-N 2.72Å; Q102-K104 VanDerWaalsContact O-N 3.13Å; K104-R106 PolarHBondContact O-N 3.09Å | ||
| 105 | V | 45 | Very low | 53 | Low | 113 Ų | 113 | 134.2 Ų | 134.2 | 69% | 0.685 | 69% | 0.686 | S | S | * | * | trans | -68.1 | 98.4 | 170 | -151.5 | 0 | 0 | 0 | 0 | 101.7 | P103 M107 | P103-V105 VanDerWaalsContact O-CG2 3.27Å; P103-V105 WeakPolarHBondContact O-CG2 3.49Å; P103-V105 PolarHBondContact O-N 3.22Å; V105-M107 PolarHBondContact O-N 3.5Å | ||
| 106 | R | 42.9 | Very low | 51.2 | Low | 208 Ų | 208 | 144 Ų | 144 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | trans | -51.3 | 100.8 | 161.4 | -86.7 | 158.2 | 62.2 | 179.1 | 0.2 | 103.8 | K104 N108 | K104-R106 PolarHBondContact O-N 3.09Å; R106-N108 PolarHBondContact O-N 2.87Å; R106-N108 PolarHBondContact O-OD1 3.26Å | ||
| 107 | M | 45.3 | Very low | 49.6 | Very low | 163 Ų | 163 | 150.7 Ų | 150.7 | 80% | 0.803 | 76% | 0.755 | S | S | * | * | trans | -67.3 | 93.3 | 171.5 | -154.5 | 79 | 167.9 | 0 | 0 | 104 | V105 F109 | V105-M107 PolarHBondContact O-N 3.5Å; M107-F109 VanDerWaalsContact C-N 3.33Å; M107-F109 PolarHBondContact O-N 2.96Å | ||
| 108 | N | 41.2 | Very low | 48.2 | Very low | 132 Ų | 132 | 150.1 Ų | 150.1 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | -59.8 | 104.1 | 170.4 | -79.8 | 21.9 | 0 | 0 | 0 | 105.8 | R106 S110 | R106-N108 PolarHBondContact O-N 2.87Å; R106-N108 PolarHBondContact O-OD1 3.26Å; N108-S110 PolarHBondContact O-N 3.08Å | ||
| 109 | F | 46.8 | Very low | 47.3 | Very low | 195 Ų | 195 | 154.6 Ų | 154.6 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | -57.9 | 97.7 | 160.5 | -93.6 | -97 | 0 | 0 | 0 | 106.3 | M107 L111 | M107-F109 VanDerWaalsContact C-N 3.33Å; M107-F109 PolarHBondContact O-N 2.96Å; F109-L111 VanDerWaalsContact C-N 3.28Å; F109-L111 PolarHBondContact O-N 3.12Å | ||
| 110 | S | 43.8 | Very low | 46.7 | Very low | 108 Ų | 108 | 153.4 Ų | 153.4 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -67.3 | 97.6 | 165.5 | -178.6 | 0 | 0 | 0 | 0 | 106.4 | N108 S112 | N108-S110 PolarHBondContact O-N 3.08Å; S110-S112 VanDerWaalsContact C-N 3.3Å; S110-S112 PolarHBondContact O-N 3.34Å | ||
| 111 | L | 50.1 | Low | 46.3 | Very low | 156 Ų | 156 | 150.2 Ų | 150.2 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | trans | -62.4 | 96.1 | 163.7 | -163 | 89.1 | 0 | 0 | 0 | 106.5 | F109 A113 | F109-L111 VanDerWaalsContact C-N 3.28Å; F109-L111 PolarHBondContact O-N 3.12Å; L111-A113 PolarHBondContact O-N 2.83Å | ||
| 112 | S | 44.9 | Very low | 46.3 | Very low | 106 Ų | 106 | 155.1 Ų | 155.1 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | -73.2 | 85 | 163.1 | 65.4 | 0 | 0 | 0 | 0 | 107.2 | S110 S114 | S110-S112 VanDerWaalsContact C-N 3.3Å; S110-S112 PolarHBondContact O-N 3.34Å; S112-S114 PolarHBondContact O-N 3.03Å | ||
| 113 | A | 51.4 | Low | 46.4 | Very low | 80 Ų | 80 | 156.6 Ų | 156.6 | 66% | 0.661 | 80% | 0.804 | S | S | * | * | trans | -65.5 | 88.1 | 156.8 | 0 | 0 | 0 | 0 | 0 | 107 | L111 R115 | L111-A113 PolarHBondContact O-N 2.83Å; A113-R115 PolarHBondContact O-N 3.17Å; A113-R115 VanDerWaalsContact O-N 3.1Å | ||
| 114 | S | 53.7 | Low | 46.8 | Very low | 119 Ų | 119 | 160.9 Ų | 160.9 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | -77.1 | 97.6 | 169.3 | -148.8 | 0 | 0 | 0 | 0 | 107.1 | S112 | S112-S114 PolarHBondContact O-N 3.03Š| ||
| 115 | R | 46.5 | Very low | 46.8 | Very low | 238 Ų | 238 | 157.8 Ų | 157.8 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | trans | -82.3 | 108.8 | 168.6 | -163.3 | -177.6 | -69.5 | -153.8 | -1.1 | 106.2 | A113 | A113-R115 PolarHBondContact O-N 3.17Å; A113-R115 VanDerWaalsContact O-N 3.1Å | ||
| 116 | K | 50.4 | Low | 47 | Very low | 275 Ų | 275 | 161.8 Ų | 161.8 | 100% | 1.196 | 82% | 0.823 | S | S | * | * | trans | -160 | 0 | 146.2 | -137.6 | 179.8 | -175.9 | -166.2 | 0 | 111.1 |
Retrieved 116 of 116 residues in 21.7 ms
(Link to these results)