| 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 | 43.3 | Very low | 50.8 | Low | 239 Ų | 239 | 152.1 Ų | 152.1 | 100% | 1.177 | 85% | 0.846 | S | S | * | * | 0 | 95.1 | 0 | -66.5 | 145.2 | 178.6 | 0 | 0 | 107.2 | L3 | M1-L3 PolarHBondContact O-N 3.23Š| |||
| 2 | S | 48.6 | Very low | 50.8 | Low | 128 Ų | 128 | 149.5 Ų | 149.5 | 90% | 0.895 | 83% | 0.829 | S | S | * | * | trans | -82 | 111.2 | 178.9 | -71.3 | 0 | 0 | 0 | 0 | 109.2 | K4 | S2-K4 PolarHBondContact O-N 3.1Š| ||
| 3 | L | 55.4 | Low | 50.9 | Low | 175 Ų | 175 | 144.7 Ų | 144.7 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | trans | -74.1 | 109.7 | 170.6 | -65.2 | 168.1 | 0 | 0 | 0 | 107.7 | M1 A5 | M1-L3 PolarHBondContact O-N 3.23Å; L3-A5 PolarHBondContact O-N 3.38Å | ||
| 4 | K | 43.6 | Very low | 51.1 | Low | 208 Ų | 208 | 137.7 Ų | 137.7 | 90% | 0.904 | 77% | 0.772 | S | S | * | * | trans | -83 | 109.9 | 169.8 | -131.1 | 160.2 | 174.5 | 118.9 | 0 | 105.9 | S2 D6 | S2-K4 PolarHBondContact O-N 3.1Å; K4-D6 PolarHBondContact O-N 2.91Å | ||
| 5 | A | 55.8 | Low | 51.4 | Low | 97 Ų | 97 | 137.9 Ų | 137.9 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | trans | -64.1 | 123.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | L3 S7 | L3-A5 PolarHBondContact O-N 3.38Å; A5-S7 PolarHBondContact O-N 3.13Å | ||
| 6 | D | 46.6 | Very low | 51.8 | Low | 144 Ų | 144 | 140.8 Ų | 140.8 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | -66.1 | 120.1 | 174.1 | -164.7 | -99.5 | 0 | 0 | 0 | 108.8 | K4 E8 | K4-D6 PolarHBondContact O-N 2.91Å; D6-E8 PolarHBondContact O-N 3.11Å | ||
| 7 | S | 51.6 | Low | 52.6 | Low | 107 Ų | 107 | 141.5 Ų | 141.5 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | -84.2 | 92.8 | 176.8 | 55.3 | 0 | 0 | 0 | 0 | 108.9 | A5 | A5-S7 PolarHBondContact O-N 3.13Š| ||
| 8 | E | 53 | Low | 54.7 | Low | 163 Ų | 163 | 136.9 Ų | 136.9 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | trans | -55.2 | 124.5 | 165.2 | -76.3 | -111.1 | 98.2 | 0 | 0 | 109.2 | D6 N10 | D6-E8 PolarHBondContact O-N 3.11Å; E8-N10 PolarHBondContact O-N 2.89Å | ||
| 9 | P | 56.7 | Low | 56.8 | Low | 109 Ų | 109 | 131.3 Ų | 131.3 | 71% | 0.708 | 71% | 0.713 | S | S | * | * | trans | -70.5 | 104.1 | 171.8 | 28 | -30 | 0 | 0 | 0 | 107.7 | N11 | P9-N11 PolarHBondContact O-N 3.21Š| ||
| 10 | N | 48.7 | Very low | 58.8 | Low | 145 Ų | 145 | 128.1 Ų | 128.1 | 78% | 0.775 | 69% | 0.691 | S | S | * | * | trans | -54 | 97.8 | 173.3 | -163.3 | 4.3 | 0 | 0 | 0 | 109 | E8 N12 | E8-N10 PolarHBondContact O-N 2.89Å; N10-N12 PolarHBondContact O-N 3.45Å | ||
| 11 | N | 55.8 | Low | 60.6 | Low | 158 Ų | 158 | 122 Ų | 122 | 85% | 0.845 | 66% | 0.658 | S | S | * | * | trans | -79.1 | 27.3 | -170.2 | -141.6 | -21 | 0 | 0 | 0 | 112.3 | P9 V13 | P9-N11 PolarHBondContact O-N 3.21Å; N11-V13 VanDerWaalsContact C-N 3.33Å | ||
| 12 | N | 51.3 | Low | 63.3 | Low | 121 Ų | 121 | 110.6 Ų | 110.6 | 65% | 0.647 | 60% | 0.602 | S | S | * | * | trans | -101.2 | 56.6 | 172.6 | -169.4 | 14.4 | 0 | 0 | 0 | 108.7 | N10 S14 | N10-N12 PolarHBondContact O-N 3.45Å; N12-S14 PolarHBondContact O-N 3.08Å; N12-S14 VanDerWaalsContact O-N 3.15Å | ||
| 13 | V | 52 | Low | 65.6 | Low | 87 Ų | 87 | 107.1 Ų | 107.1 | 53% | 0.527 | 57% | 0.57 | S | S | . | * | trans | -68.7 | 107.7 | 157.1 | 178.4 | 0 | 0 | 0 | 0 | 104.4 | N11 I15 | N11-V13 VanDerWaalsContact C-N 3.33Å; V13-I15 PolarHBondContact O-N 3.37Å | ||
| 14 | S | 53.9 | Low | 67.7 | Low | 47 Ų | 47 | 98.8 Ų | 98.8 | 33% | 0.329 | 53% | 0.527 | S | S | . | . | trans | -20.1 | 99.4 | 169.3 | 15 | 0 | 0 | 0 | 0 | 111.9 | N12 E16 E17 E18 | N12-S14 PolarHBondContact O-N 3.08Å; N12-S14 VanDerWaalsContact O-N 3.15Å; S14-E16 PolarHBondContact O-N 3.15Å; S14-E17 PolarHBondContact O-N 3.14Å; S14-E17 PolarHBondContact OG-OE2 3.34Å; S14-E18 PolarHBondContact O-N 2.92Å | ||
| 15 | I | 55.5 | Low | 70.3 | Confident | 141 Ų | 141 | 89.9 Ų | 89.9 | 72% | 0.723 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -20.8 | 178.8 | -35.6 | 173 | 0 | 0 | 0 | 111.1 | V13 | V13-I15 PolarHBondContact O-N 3.37Š|
| 16 | E | 56.9 | Low | 72.2 | Confident | 184 Ų | 184 | 85.5 Ų | 85.5 | 86% | 0.86 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -27.4 | 179.2 | -52.3 | -171.4 | 165.2 | 0 | 0 | 114.1 | S14 | S14-E16 PolarHBondContact O-N 3.15Š|
| 17 | E | 66.1 | Low | 74.7 | Confident | 152 Ų | 152 | 78.7 Ų | 78.7 | 71% | 0.71 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -20.1 | 175.6 | -93.2 | -179 | 137.4 | 0 | 0 | 112.5 | S14 V19 | S14-E17 PolarHBondContact O-N 3.14Å; S14-E17 PolarHBondContact OG-OE2 3.34Å; E17-V19 PolarHBondContact O-N 3.46Å |
| 18 | E | 89.2 | Confident | 76.8 | Confident | 59 Ų | 59 | 74.7 Ų | 74.7 | 28% | 0.276 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -76.7 | 118.6 | -171.2 | -162.5 | 168.6 | -137.7 | 0 | 0 | 111.9 | S14 R20 R67 N98 | S14-E18 PolarHBondContact O-N 2.92Å; E18-R20 PolarHBondContact O-N 3.46Å; E18-R20 VanDerWaalsContact O-N 3.08Å; E18-R67 VanDerWaalsContact CD-CB 3.41Å; E18-R67 HydrophobicContact CG-CB 3.69Å; E18-R67 HydrophobicContact CG-CG 4.07Å; E18-R67 WeakPolarHBondContact OE1-CD 3.4Å; E18-R67 IonicContact OE1-CZ 3.78Å; E18-R67 IonicContact OE1-NE 3.98Å; E18-R67 IonicContact OE1-NH1 2.83Å; E18-R67 PolarHBondContact OE1-NH1 3.44Å; E18-R67 VanDerWaalsContact OE2-CB 3.29Å; E18-R67 WeakPolarHBondContact OE2-CB 3.5Å; E18-N98 PolarHBondContact O-ND2 3.39Å |
| 19 | V | 95.4 | Very high | 78.9 | Confident | 30 Ų | 30 | 72.1 Ų | 72.1 | 18% | 0.182 | 39% | 0.385 | C | S | . | . | trans | -70.7 | 110.9 | 179.9 | -176.2 | 0 | 0 | 0 | 0 | 109.4 | E17 F94 A95 N98 | E17-V19 PolarHBondContact O-N 3.46Å; V19-F94 HydrophobicContact CB-CD1 4.4Å; V19-F94 HydrophobicContact CG1-CB 4.37Å; V19-F94 HydrophobicContact CG1-CD1 4.19Å; V19-F94 WeakPolarHBondContact O-CD1 3.49Å; V19-F94 WeakPolarHBondContact O-CE1 3.23Å; V19-A95 HydrophobicContact CG1-CB 4.44Å; V19-A95 WeakPolarHBondContact CG1-O 3.28Å; V19-N98 WeakPolarHBondContact CA-OD1 3.4Å | ||
| 20 | R | 96.5 | Very high | 80.7 | Confident | 68 Ų | 68 | 72.2 Ų | 72.2 | 26% | 0.257 | 38% | 0.38 | S | S | . | . | trans | -106.9 | 10.3 | 176.8 | 65.3 | -169.6 | -169.4 | 137.2 | 19.7 | 112.7 | E18 E47 T63 F64 D65 N98 | E18-R20 PolarHBondContact O-N 3.46Å; E18-R20 VanDerWaalsContact O-N 3.08Å; R20-E47 IonicContact CZ-OE1 2.82Å; R20-E47 VanDerWaalsContact CZ-OE1 3.22Å; R20-E47 IonicContact CZ-OE2 2.84Å; R20-E47 IonicContact NH1-OE1 3.67Å; R20-E47 PolarHBondContact NH1-OE1 3.36Å; R20-E47 IonicContact NH2-OE1 3.64Å; R20-E47 PolarHBondContact NH2-OE1 3.41Å; R20-E47 IonicContact NH2-OE2 3.22Å; R20-E47 PolarHBondContact NH2-OE2 3.41Å; R20-T63 HydrophobicContact CG-CG2 4.47Å; R20-F64 WeakPolarHBondContact CD-O 3.33Å; R20-F64 VanDerWaalsContact CG-O 3.22Å; R20-F64 WeakPolarHBondContact CG-O 3.14Å; R20-F64 VanDerWaalsContact CZ-O 3.28Å; R20-F64 PolarHBondContact NE-O 2.92Å; R20-F64 PolarHBondContact NH1-O 2.78Å; R20-F64 PolarHBondContact O-N 2.81Å; R20-D65 PolarHBondContact NH1-O 3.11Å; R20-N98 WeakPolarHBondContact CG-OD1 3.44Å; R20-N98 PolarHBondContact N-OD1 2.99Å | ||
| 21 | T | 97.5 | Very high | 83 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 130.6 | 176.7 | -56 | 0 | 0 | 0 | 0 | 110.3 | F61 V62 T63 A95 N98 T99 | T21-F61 HydrophobicContact CG2-CB 4.18Å; T21-F61 HydrophobicContact CG2-CD1 4.33Å; T21-V62 CarbonylContact C-O 3.54Å; T21-V62 VanDerWaalsContact CA-O 3.28Å; T21-V62 WeakPolarHBondContact CA-O 3.31Å; T21-T63 PolarHBondContact OG1-OG1 2.91Å; T21-A95 HydrophobicContact CG2-CB 4.02Å; T21-A95 VanDerWaalsContact O-CB 3.3Å; T21-A95 WeakPolarHBondContact O-CB 3.42Å; T21-A95 PolarHBondContact O-N 2.95Å; T21-N98 PolarHBondContact N-OD1 3.37Å; T21-N98 WeakPolarHBondContact OG1-CA 3.49Å; T21-N98 PolarHBondContact OG1-OD1 3.22Å; T21-T99 HydrophobicContact CG2-CG2 4.14Å; T21-T99 WeakPolarHBondContact CG2-OG1 3.45Å; T21-T99 PolarHBondContact OG1-N 2.77Å |
| 22 | L | 98.5 | Very high | 85 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 137.1 | 173.6 | -58.8 | -179.9 | 0 | 0 | 0 | 110.6 | F40 F61 V62 F64 A70 A73 K74 L92 E93 F94 | L22-F40 HydrophobicContact CD1-CE1 4.16Å; L22-F61 CarbonylContact O-C 3.55Å; L22-F61 VanDerWaalsContact O-CA 3.24Å; L22-F61 WeakPolarHBondContact O-CA 3.49Å; L22-V62 HydrophobicContact CB-CB 4.49Å; L22-V62 PolarHBondContact N-O 3.43Å; L22-V62 PolarHBondContact O-N 3.39Å; L22-F64 HydrophobicContact CD1-CE2 3.8Å; L22-F64 HydrophobicContact CG-CE2 4.19Å; L22-A70 WeakPolarHBondContact CD1-O 3.43Å; L22-A70 HydrophobicContact CD2-CB 3.99Å; L22-A70 HydrophobicContact CG-CB 4.07Å; L22-A73 HydrophobicContact CD1-CB 4.24Å; L22-K74 HydrophobicContact CD1-CB 4.18Å; L22-K74 HydrophobicContact CD2-CB 4.12Å; L22-L92 HydrophobicContact CD1-CD2 4.05Å; L22-E93 CarbonylContact C-O 3.5Å; L22-E93 WeakPolarHBondContact CA-O 3.32Å; L22-F94 HydrophobicContact CD2-CD1 3.99Å; L22-F94 HydrophobicContact CD2-CE1 4.01Å |
| 23 | F | 98.4 | Very high | 87.2 | Confident | 54 Ų | 54 | 63 Ų | 63 | 24% | 0.237 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 126.9 | 160.8 | 172 | -101 | 0 | 0 | 0 | 109 | V59 F61 L92 E93 A95 | F23-V59 HydrophobicContact CD2-CB 4.39Å; F23-V59 HydrophobicContact CE2-CB 3.55Å; F23-V59 HydrophobicContact CE2-CG1 3.71Å; F23-V59 HydrophobicContact CE2-CG2 3.86Å; F23-V59 HydrophobicContact CZ-CB 4.03Å; F23-V59 HydrophobicContact CZ-CG1 3.68Å; F23-F61 HydrophobicContact CB-CE1 4.37Å; F23-F61 AromaticContact CD2-CE1 3.83Å; F23-F61 HydrophobicContact CD2-CE1 3.83Å; F23-F61 AromaticContact CD2-CZ 3.86Å; F23-F61 HydrophobicContact CD2-CZ 3.86Å; F23-F61 HydrophobicContact CE2-CZ 4.4Å; F23-L92 WeakPolarHBondContact O-CA 3.41Å; F23-E93 PolarHBondContact N-O 3.24Å; F23-E93 PolarHBondContact O-N 3.08Å; F23-A95 HydrophobicContact CB-CB 4.42Å |
| 24 | V | 98.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 118.9 | -178.6 | -170.1 | 0 | 0 | 0 | 0 | 108.6 | L27 F40 V59 G60 V62 L90 L92 | V24-L27 HydrophobicContact CG1-CD2 3.94Å; V24-L27 HydrophobicContact CG1-CG 4.36Å; V24-F40 HydrophobicContact CG2-CE2 4.18Å; V24-F40 HydrophobicContact CG2-CZ 3.86Å; V24-V59 CarbonylContact O-C 3.34Å; V24-V59 WeakPolarHBondContact O-CA 3.34Å; V24-G60 PolarHBondContact N-O 3.15Å; V24-G60 PolarHBondContact O-N 2.86Å; V24-V62 HydrophobicContact CG2-CG2 3.83Å; V24-L90 HydrophobicContact CG1-CD2 4.16Å; V24-L92 HydrophobicContact CG1-CD1 4.4Å; V24-L92 HydrophobicContact CG1-CG 4.48Å; V24-L92 HydrophobicContact CG2-CG 4.37Å |
| 25 | S | 97.9 | Very high | 91.5 | Very high | 22 Ų | 22 | 66.8 Ų | 66.8 | 15% | 0.154 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 168.9 | 175.8 | 57.8 | 0 | 0 | 0 | 0 | 111.4 | L90 R91 | S25-L90 WeakPolarHBondContact O-CA 3.49Å; S25-R91 PolarHBondContact N-O 2.83Å; S25-R91 PolarHBondContact O-N 2.97Å; S25-R91 WeakPolarHBondContact OG-CB 3.37Å; S25-R91 PolarHBondContact OG-O 3.23Å |
| 26 | G | 97.4 | Very high | 93.5 | Very high | 5 Ų | 5 | 60 Ų | 60 | 5% | 0.052 | 30% | 0.295 | C | S | . | . | trans | 79.9 | 23.9 | -172 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q88 | G26-Q88 WeakPolarHBondContact O-CG 3.49Š| ||
| 27 | L | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -77.5 | 145.3 | 175.7 | -60 | 172.8 | 0 | 0 | 0 | 110.6 | V24 I31 L36 Q57 P58 L90 | V24-L27 HydrophobicContact CG1-CD2 3.94Å; V24-L27 HydrophobicContact CG1-CG 4.36Å; L27-I31 HydrophobicContact CB-CB 4.31Å; L27-I31 HydrophobicContact CB-CD1 4.34Å; L27-I31 HydrophobicContact CB-CG1 4.28Å; L27-I31 HydrophobicContact CB-CG2 4.29Å; L27-I31 HydrophobicContact CD1-CG1 4.32Å; L27-I31 HydrophobicContact CD2-CD1 3.9Å; L27-I31 HydrophobicContact CD2-CG1 4.38Å; L27-L36 HydrophobicContact CD1-CD2 4.47Å; L27-L36 HydrophobicContact CD2-CD2 3.94Å; L27-Q57 WeakPolarHBondContact O-CG 3.32Å; L27-Q57 PolarHBondContact O-NE2 3.33Å; L27-P58 HydrophobicContact CB-CG 4.21Å; L27-L90 HydrophobicContact CD2-CD2 3.63Å | ||
| 28 | P | 96.4 | Very high | 97 | Very high | 24 Ų | 24 | 51.6 Ų | 51.6 | 16% | 0.156 | 25% | 0.254 | C | S | . | . | trans | -64.8 | 157.9 | 172.2 | 30.2 | -36.5 | 0 | 0 | 0 | 111.1 | D30 I31 P58 F82 | P28-D30 VanDerWaalsContact C-N 3.27Å; P28-D30 PolarHBondContact O-N 2.95Å; P28-I31 HydrophobicContact CG-CB 4.16Å; P28-I31 HydrophobicContact CG-CD1 4.16Å; P28-I31 VanDerWaalsContact O-CB 3.26Å; P28-I31 WeakPolarHBondContact O-CB 3.34Å; P28-I31 WeakPolarHBondContact O-CG2 3.16Å; P28-I31 PolarHBondContact O-N 3.46Å; P28-P58 WeakPolarHBondContact O-CG 3.44Å; P28-F82 HydrophobicContact CG-CD1 3.62Å; P28-F82 HydrophobicContact CG-CE1 3.75Å | ||
| 29 | V | 95.9 | Very high | 97.5 | Very high | 108 Ų | 108 | 50.7 Ų | 50.7 | 66% | 0.655 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -26.9 | -173.1 | -66.7 | 0 | 0 | 0 | 0 | 113.6 | ||
| 30 | D | 94.9 | Very high | 97.6 | Very high | 112 Ų | 112 | 49.2 Ų | 49.2 | 60% | 0.599 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | 10.9 | -179.4 | 64 | -42.4 | 0 | 0 | 0 | 113.1 | P28 K32 | P28-D30 VanDerWaalsContact C-N 3.27Å; P28-D30 PolarHBondContact O-N 2.95Å; D30-K32 PolarHBondContact O-N 3.22Å |
| 31 | I | 97.4 | Very high | 97.7 | Very high | 14 Ų | 14 | 52.6 Ų | 52.6 | 7% | 0.072 | 26% | 0.255 | C | S | . | . | trans | -45.9 | 134.5 | 176.6 | -174.2 | 82 | 0 | 0 | 0 | 112.1 | L27 P28 E35 I51 P58 F82 | L27-I31 HydrophobicContact CB-CB 4.31Å; L27-I31 HydrophobicContact CB-CD1 4.34Å; L27-I31 HydrophobicContact CB-CG1 4.28Å; L27-I31 HydrophobicContact CB-CG2 4.29Å; L27-I31 HydrophobicContact CD1-CG1 4.32Å; L27-I31 HydrophobicContact CD2-CD1 3.9Å; L27-I31 HydrophobicContact CD2-CG1 4.38Å; P28-I31 HydrophobicContact CG-CB 4.16Å; P28-I31 HydrophobicContact CG-CD1 4.16Å; P28-I31 VanDerWaalsContact O-CB 3.26Å; P28-I31 WeakPolarHBondContact O-CB 3.34Å; P28-I31 WeakPolarHBondContact O-CG2 3.16Å; P28-I31 PolarHBondContact O-N 3.46Å; I31-E35 WeakPolarHBondContact CA-OE2 3.05Å; I31-E35 HydrophobicContact CD1-CB 4.24Å; I31-E35 WeakPolarHBondContact CD1-OE2 3.37Å; I31-I51 HydrophobicContact CB-CD1 4.38Å; I31-I51 HydrophobicContact CG1-CD1 3.67Å; I31-I51 HydrophobicContact CG2-CD1 4.01Å; I31-I51 HydrophobicContact CG2-CG2 4.14Å; I31-P58 HydrophobicContact CG2-CB 3.74Å; I31-P58 HydrophobicContact CG2-CG 3.41Å; I31-P58 VanDerWaalsContact CG2-CG 3.41Å; I31-F82 HydrophobicContact CD1-CD1 4.19Å; I31-F82 HydrophobicContact CD1-CE1 3.22Å; I31-F82 HydrophobicContact CD1-CE2 4.09Å; I31-F82 HydrophobicContact CD1-CZ 3.14Å | ||
| 32 | K | 97.4 | Very high | 97.7 | Very high | 133 Ų | 133 | 57.3 Ų | 57.3 | 58% | 0.578 | 29% | 0.285 | S | S | * | . | trans | -108.5 | 146.1 | 176.6 | -66.3 | 175.5 | -174.9 | 166 | 0 | 111.4 | D30 R34 E35 I51 | D30-K32 PolarHBondContact O-N 3.22Å; K32-R34 PolarHBondContact O-N 3.32Å; K32-E35 HydrophobicContact CB-CG 4.26Å; K32-E35 PolarHBondContact N-OE2 2.91Å; K32-E35 PolarHBondContact O-N 3.39Å; K32-I51 VanDerWaalsContact C-CD1 3.45Å | ||
| 33 | P | 97.3 | Very high | 97.7 | Very high | 83 Ų | 83 | 59.4 Ų | 59.4 | 54% | 0.539 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -53.2 | -32.1 | 175.4 | -27.9 | 35 | 0 | 0 | 0 | 113.4 | E35 L36 Y37 I51 | P33-E35 VanDerWaalsContact C-N 3.25Å; P33-E35 PolarHBondContact O-N 2.89Å; P33-L36 PolarHBondContact O-N 3.38Å; P33-Y37 PolarHBondContact O-N 3.45Å; P33-I51 HydrophobicContact CB-CD1 4.45Å; P33-I51 HydrophobicContact CG-CD1 4.15Å |
| 34 | R | 98.4 | Very high | 97.6 | Very high | 146 Ų | 146 | 65.6 Ų | 65.6 | 55% | 0.551 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -58.7 | -34.5 | 176.4 | 179.6 | 57 | 176.5 | -170.8 | -3.5 | 112.9 | K32 Y37 L38 | K32-R34 PolarHBondContact O-N 3.32Å; R34-Y37 VanDerWaalsContact NH1-CD1 3.33Å; R34-Y37 WeakPolarHBondContact O-CB 3.42Å; R34-Y37 PolarHBondContact O-N 2.91Å; R34-L38 HydrophobicContact CG-CD1 4.12Å; R34-L38 HydrophobicContact CG-CG 4.4Å; R34-L38 WeakPolarHBondContact O-CG 3.32Å; R34-L38 PolarHBondContact O-N 3.34Å |
| 35 | E | 98.2 | Very high | 97.5 | Very high | 67 Ų | 67 | 66.4 Ų | 66.4 | 31% | 0.313 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -75 | -40.2 | -174.4 | -57.7 | 171 | 149.8 | 0 | 0 | 111.1 | I31 K32 P33 Y37 L38 L39 F82 | I31-E35 WeakPolarHBondContact CA-OE2 3.05Å; I31-E35 HydrophobicContact CD1-CB 4.24Å; I31-E35 WeakPolarHBondContact CD1-OE2 3.37Å; K32-E35 HydrophobicContact CB-CG 4.26Å; K32-E35 PolarHBondContact N-OE2 2.91Å; K32-E35 PolarHBondContact O-N 3.39Å; P33-E35 VanDerWaalsContact C-N 3.25Å; P33-E35 PolarHBondContact O-N 2.89Å; E35-Y37 VanDerWaalsContact C-N 3.32Å; E35-Y37 PolarHBondContact O-N 3.28Å; E35-L38 PolarHBondContact O-N 3.36Å; E35-L39 WeakPolarHBondContact O-CB 3.32Å; E35-L39 PolarHBondContact O-N 3.47Å; E35-F82 HydrophobicContact CB-CZ 3.74Å |
| 36 | L | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.3 | -41.6 | 170 | -68 | -173.3 | 0 | 0 | 0 | 111.4 | L27 P33 L38 L39 F40 I51 | L27-L36 HydrophobicContact CD1-CD2 4.47Å; L27-L36 HydrophobicContact CD2-CD2 3.94Å; P33-L36 PolarHBondContact O-N 3.38Å; L36-L38 PolarHBondContact O-N 2.92Å; L36-L39 PolarHBondContact O-N 3.46Å; L36-F40 HydrophobicContact CD2-CD2 4.45Å; L36-F40 HydrophobicContact CD2-CE2 4.07Å; L36-F40 WeakPolarHBondContact O-CB 3.42Å; L36-F40 WeakPolarHBondContact O-CD2 3.17Å; L36-F40 PolarHBondContact O-N 3.18Å; L36-I51 HydrophobicContact CD1-CD1 4.16Å; L36-I51 HydrophobicContact CD1-CG1 3.61Å; L36-I51 HydrophobicContact CG-CD1 4.46Å; L36-I51 HydrophobicContact CG-CG1 4.42Å |
| 37 | Y | 98 | Very high | 97.4 | Very high | 89 Ų | 89 | 71.4 Ų | 71.4 | 35% | 0.349 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -57.4 | -48.4 | 173.4 | 167.8 | -97.2 | 0 | 0 | 0 | 111.8 | P33 R34 E35 L39 R41 Y46 | P33-Y37 PolarHBondContact O-N 3.45Å; R34-Y37 VanDerWaalsContact NH1-CD1 3.33Å; R34-Y37 WeakPolarHBondContact O-CB 3.42Å; R34-Y37 PolarHBondContact O-N 2.91Å; E35-Y37 VanDerWaalsContact C-N 3.32Å; E35-Y37 PolarHBondContact O-N 3.28Å; Y37-L39 PolarHBondContact O-N 3.36Å; Y37-R41 HydrophobicContact CE2-CB 4.3Å; Y37-R41 WeakPolarHBondContact O-CB 3.5Å; Y37-R41 WeakPolarHBondContact O-CG 3.47Å; Y37-R41 PolarHBondContact O-N 2.79Å; Y37-Y46 WeakPolarHBondContact CA-OH 3.27Å; Y37-Y46 AromaticContact CD2-CE1 3.71Å; Y37-Y46 HydrophobicContact CD2-CE1 3.71Å; Y37-Y46 HydrophobicContact CE2-CE1 4.19Å |
| 38 | L | 98.5 | Very high | 97.4 | Very high | 69 Ų | 69 | 71.9 Ų | 71.9 | 36% | 0.361 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67 | -35.8 | -178.6 | -71.5 | 176.1 | 0 | 0 | 0 | 113 | R34 E35 L36 R41 | R34-L38 HydrophobicContact CG-CD1 4.12Å; R34-L38 HydrophobicContact CG-CG 4.4Å; R34-L38 WeakPolarHBondContact O-CG 3.32Å; R34-L38 PolarHBondContact O-N 3.34Å; E35-L38 PolarHBondContact O-N 3.36Å; L36-L38 PolarHBondContact O-N 2.92Å; L38-R41 WeakPolarHBondContact O-CG 3.48Å |
| 39 | L | 98.4 | Very high | 97.4 | Very high | 40 Ų | 40 | 72 Ų | 72 | 21% | 0.209 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -69.8 | -42.2 | 179.4 | -177.3 | 61.9 | 0 | 0 | 0 | 112 | E35 L36 Y37 P42 L77 I80 F82 L90 | E35-L39 WeakPolarHBondContact O-CB 3.32Å; E35-L39 PolarHBondContact O-N 3.47Å; L36-L39 PolarHBondContact O-N 3.46Å; Y37-L39 PolarHBondContact O-N 3.36Å; L39-P42 VanDerWaalsContact O-CD 3.29Å; L39-P42 WeakPolarHBondContact O-CD 3.29Å; L39-L77 HydrophobicContact CD1-CD1 4.29Å; L39-L77 HydrophobicContact CD1-CD2 3.9Å; L39-L77 HydrophobicContact CD2-CD1 4.24Å; L39-L77 HydrophobicContact CG-CD1 3.92Å; L39-L77 HydrophobicContact CG-CD2 4.45Å; L39-I80 HydrophobicContact CD1-CD1 4.29Å; L39-F82 HydrophobicContact CD2-CD2 4.11Å; L39-F82 HydrophobicContact CD2-CE2 3.92Å; L39-L90 HydrophobicContact CD2-CD1 3.59Å |
| 40 | F | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -97.3 | -18.3 | -171.9 | -72.9 | -84.3 | 0 | 0 | 0 | 114.6 | L22 V24 L36 P42 F43 Y46 V62 F64 A73 L77 L92 | L22-F40 HydrophobicContact CD1-CE1 4.16Å; V24-F40 HydrophobicContact CG2-CE2 4.18Å; V24-F40 HydrophobicContact CG2-CZ 3.86Å; L36-F40 HydrophobicContact CD2-CD2 4.45Å; L36-F40 HydrophobicContact CD2-CE2 4.07Å; L36-F40 WeakPolarHBondContact O-CB 3.42Å; L36-F40 WeakPolarHBondContact O-CD2 3.17Å; L36-F40 PolarHBondContact O-N 3.18Å; F40-P42 VanDerWaalsContact C-N 3.28Å; F40-P42 WeakPolarHBondContact O-CD 3.5Å; F40-P42 VanDerWaalsContact O-N 3.16Å; F40-F43 HydrophobicContact CD1-CD2 4.48Å; F40-F43 WeakPolarHBondContact O-CB 3.35Å; F40-F43 PolarHBondContact O-N 3.47Å; F40-Y46 HydrophobicContact CB-CD2 3.52Å; F40-Y46 HydrophobicContact CB-CE2 3.67Å; F40-Y46 HydrophobicContact CB-CG 4.49Å; F40-V62 HydrophobicContact CB-CG1 4.03Å; F40-V62 HydrophobicContact CD1-CG1 3.94Å; F40-V62 HydrophobicContact CD1-CG2 4.49Å; F40-V62 HydrophobicContact CD2-CG1 4.22Å; F40-V62 HydrophobicContact CD2-CG2 3.72Å; F40-V62 HydrophobicContact CE1-CG1 4.38Å; F40-V62 HydrophobicContact CE1-CG2 4.35Å; F40-V62 HydrophobicContact CE2-CG2 3.62Å; F40-V62 HydrophobicContact CG-CG1 3.8Å; F40-V62 HydrophobicContact CG-CG2 4.16Å; F40-V62 HydrophobicContact CZ-CG2 3.92Å; F40-F64 HydrophobicContact CD1-CE2 4.36Å; F40-F64 AromaticContact CD1-CZ 3.87Å; F40-F64 HydrophobicContact CD1-CZ 3.87Å; F40-A73 HydrophobicContact CD1-CB 4.18Å; F40-A73 HydrophobicContact CE1-CB 4.25Å; F40-L77 HydrophobicContact CD1-CD1 3.73Å; F40-L77 HydrophobicContact CE1-CD1 3.43Å; F40-L77 VanDerWaalsContact CE1-CD1 3.43Å; F40-L77 HydrophobicContact CE2-CD1 4.38Å; F40-L77 HydrophobicContact CG-CD1 4.39Å; F40-L77 HydrophobicContact CZ-CD1 3.8Å; F40-L92 HydrophobicContact CE1-CD2 3.72Å; F40-L92 HydrophobicContact CZ-CD2 3.65Å; F40-L92 HydrophobicContact CZ-CG 4.42Å |
| 41 | R | 98.1 | Very high | 97.5 | Very high | 139 Ų | 139 | 67.8 Ų | 67.8 | 53% | 0.525 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -29.6 | 176.2 | 69.3 | 175.6 | -170.9 | 164.9 | 5.9 | 115.8 | Y37 L38 F43 | Y37-R41 HydrophobicContact CE2-CB 4.3Å; Y37-R41 WeakPolarHBondContact O-CB 3.5Å; Y37-R41 WeakPolarHBondContact O-CG 3.47Å; Y37-R41 PolarHBondContact O-N 2.79Å; L38-R41 WeakPolarHBondContact O-CG 3.48Å; R41-F43 PolarHBondContact O-N 3.03Å |
| 42 | P | 98.3 | Very high | 97.5 | Very high | 98 Ų | 98 | 73 Ų | 73 | 64% | 0.636 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -18.1 | 178.8 | -19.2 | 35.2 | 0 | 0 | 0 | 112.9 | L39 F40 | L39-P42 VanDerWaalsContact O-CD 3.29Å; L39-P42 WeakPolarHBondContact O-CD 3.29Å; F40-P42 VanDerWaalsContact C-N 3.28Å; F40-P42 WeakPolarHBondContact O-CD 3.5Å; F40-P42 VanDerWaalsContact O-N 3.16Å |
| 43 | F | 98.3 | Very high | 97.4 | Very high | 45 Ų | 45 | 73.1 Ų | 73.1 | 20% | 0.197 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -83.5 | 129.5 | -179.8 | -63 | -86.8 | 0 | 0 | 0 | 110 | F40 R41 G45 Y46 F64 A73 A76 L77 | F40-F43 HydrophobicContact CD1-CD2 4.48Å; F40-F43 WeakPolarHBondContact O-CB 3.35Å; F40-F43 PolarHBondContact O-N 3.47Å; R41-F43 PolarHBondContact O-N 3.03Å; F43-G45 PolarHBondContact O-N 3.03Å; F43-Y46 PolarHBondContact O-N 3.01Å; F43-F64 HydrophobicContact CB-CE1 3.8Å; F43-F64 HydrophobicContact CB-CZ 4.34Å; F43-A73 HydrophobicContact CB-CB 4.06Å; F43-A73 VanDerWaalsContact CD1-CA 3.48Å; F43-A73 HydrophobicContact CD1-CB 3.67Å; F43-A73 HydrophobicContact CD2-CB 4.15Å; F43-A73 HydrophobicContact CE1-CB 4.15Å; F43-A73 HydrophobicContact CG-CB 3.66Å; F43-A76 HydrophobicContact CE1-CB 3.59Å; F43-A76 HydrophobicContact CZ-CB 3.73Å; F43-L77 HydrophobicContact CD2-CD1 4.34Å; F43-L77 HydrophobicContact CE2-CD1 3.55Å; F43-L77 HydrophobicContact CE2-CD2 4Å; F43-L77 HydrophobicContact CE2-CG 3.84Å; F43-L77 HydrophobicContact CZ-CD1 3.93Å; F43-L77 HydrophobicContact CZ-CD2 3.89Å; F43-L77 HydrophobicContact CZ-CG 3.7Å |
| 44 | K | 96.9 | Very high | 97.1 | Very high | 184 Ų | 184 | 72.5 Ų | 72.5 | 80% | 0.8 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 137 | 178.1 | -171.6 | -177.2 | 178.9 | -174.8 | 0 | 109.8 | ||
| 45 | G | 96.1 | Very high | 96.8 | Very high | 16 Ų | 16 | 71.9 Ų | 71.9 | 17% | 0.165 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | 6.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115 | F43 E47 F64 D65 | F43-G45 PolarHBondContact O-N 3.03Å; G45-E47 PolarHBondContact O-N 2.82Å; G45-E47 VanDerWaalsContact O-N 3.15Å; G45-F64 CarbonylContact O-C 3.49Å; G45-F64 WeakPolarHBondContact O-CA 3.42Å; G45-D65 VanDerWaalsContact CA-OD1 3.31Å; G45-D65 WeakPolarHBondContact CA-OD1 3.21Å; G45-D65 WeakPolarHBondContact CA-OD2 3.26Å; G45-D65 PolarHBondContact O-N 2.78Å |
| 46 | Y | 97.4 | Very high | 96.4 | Very high | 48 Ų | 48 | 78 Ų | 78 | 19% | 0.188 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 119.7 | 171.8 | 172.8 | -94.9 | 0 | 0 | 0 | 111.1 | Y37 F40 F43 G48 S49 V62 | Y37-Y46 WeakPolarHBondContact CA-OH 3.27Å; Y37-Y46 AromaticContact CD2-CE1 3.71Å; Y37-Y46 HydrophobicContact CD2-CE1 3.71Å; Y37-Y46 HydrophobicContact CE2-CE1 4.19Å; F40-Y46 HydrophobicContact CB-CD2 3.52Å; F40-Y46 HydrophobicContact CB-CE2 3.67Å; F40-Y46 HydrophobicContact CB-CG 4.49Å; F43-Y46 PolarHBondContact O-N 3.01Å; Y46-G48 WeakPolarHBondContact OH-CA 3.4Å; Y46-S49 PolarHBondContact OH-N 3.34Å; Y46-S49 PolarHBondContact OH-OG 3.38Å; Y46-V62 HydrophobicContact CD2-CG1 3.76Å; Y46-V62 HydrophobicContact CE2-CG1 3.74Å |
| 47 | E | 96.3 | Very high | 96.2 | Very high | 85 Ų | 85 | 81.2 Ų | 81.2 | 40% | 0.397 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -31.2 | 175.2 | -68.7 | -171.3 | 168.7 | 0 | 0 | 111.8 | R20 G45 T63 D65 M101 | R20-E47 IonicContact CZ-OE1 2.82Å; R20-E47 VanDerWaalsContact CZ-OE1 3.22Å; R20-E47 IonicContact CZ-OE2 2.84Å; R20-E47 IonicContact NH1-OE1 3.67Å; R20-E47 PolarHBondContact NH1-OE1 3.36Å; R20-E47 IonicContact NH2-OE1 3.64Å; R20-E47 PolarHBondContact NH2-OE1 3.41Å; R20-E47 IonicContact NH2-OE2 3.22Å; R20-E47 PolarHBondContact NH2-OE2 3.41Å; G45-E47 PolarHBondContact O-N 2.82Å; G45-E47 VanDerWaalsContact O-N 3.15Å; E47-T63 HydrophobicContact CB-CG2 4.43Å; E47-T63 WeakPolarHBondContact CB-O 3.2Å; E47-T63 PolarHBondContact N-O 3.09Å; E47-T63 WeakPolarHBondContact OE2-CG2 3.1Å; E47-D65 HydrophobicContact CG-CB 4.49Å; E47-D65 WeakPolarHBondContact OE1-CA 3.41Å; E47-M101 HydrophobicContact CB-CE 3.75Å; E47-M101 WeakPolarHBondContact O-CE 3.45Å |
| 48 | G | 96.2 | Very high | 96.2 | Very high | 9 Ų | 9 | 77.2 Ų | 77.2 | 9% | 0.093 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.2 | 176.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y46 T63 M101 | Y46-G48 WeakPolarHBondContact OH-CA 3.4Å; G48-T63 PolarHBondContact N-O 2.92Å; G48-T63 PolarHBondContact O-N 3.29Å; G48-M101 VanDerWaalsContact C-CE 3.44Å |
| 49 | S | 97.1 | Very high | 96.1 | Very high | 28 Ų | 28 | 75 Ų | 75 | 20% | 0.196 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 148.2 | -177.2 | 54.9 | 0 | 0 | 0 | 0 | 112.8 | Y46 F61 | Y46-S49 PolarHBondContact OH-N 3.34Å; Y46-S49 PolarHBondContact OH-OG 3.38Å; S49-F61 CarbonylContact C-O 3.49Å; S49-F61 WeakPolarHBondContact CA-O 3.4Å |
| 50 | L | 96.1 | Very high | 96.1 | Very high | 99 Ų | 99 | 73.1 Ų | 73.1 | 52% | 0.518 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 139.1 | 176.6 | 176.3 | 65.9 | 0 | 0 | 0 | 109.9 | G60 F61 | L50-G60 CarbonylContact O-C 3.45Å; L50-G60 WeakPolarHBondContact O-CA 3.45Å; L50-F61 PolarHBondContact N-O 3.31Å; L50-F61 PolarHBondContact O-N 2.92Å |
| 51 | I | 97 | Very high | 96.1 | Very high | 31 Ų | 31 | 75 Ų | 75 | 16% | 0.159 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 131.9 | 169.6 | -63 | 177.3 | 0 | 0 | 0 | 108.6 | I31 K32 P33 L36 L53 P58 | I31-I51 HydrophobicContact CB-CD1 4.38Å; I31-I51 HydrophobicContact CG1-CD1 3.67Å; I31-I51 HydrophobicContact CG2-CD1 4.01Å; I31-I51 HydrophobicContact CG2-CG2 4.14Å; K32-I51 VanDerWaalsContact C-CD1 3.45Å; P33-I51 HydrophobicContact CB-CD1 4.45Å; P33-I51 HydrophobicContact CG-CD1 4.15Å; L36-I51 HydrophobicContact CD1-CD1 4.16Å; L36-I51 HydrophobicContact CD1-CG1 3.61Å; L36-I51 HydrophobicContact CG-CD1 4.46Å; L36-I51 HydrophobicContact CG-CG1 4.42Å; I51-L53 HydrophobicContact CG2-CD2 4.46Å; I51-P58 HydrophobicContact CG2-CB 4.11Å |
| 52 | K | 96.4 | Very high | 96.1 | Very high | 125 Ų | 125 | 68.4 Ų | 68.4 | 54% | 0.543 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 111.7 | 171.1 | -177.7 | 176.4 | -179.3 | 175.6 | 0 | 108.7 | V59 F61 | K52-V59 HydrophobicContact CB-CG2 3.92Å; K52-V59 HydrophobicContact CG-CG2 4.48Å; K52-V59 PolarHBondContact N-O 3.06Å; K52-V59 PolarHBondContact O-N 3.46Å; K52-F61 HydrophobicContact CB-CE2 4.27Å; K52-F61 HydrophobicContact CD-CE2 4.35Å |
| 53 | L | 95.7 | Very high | 96 | Very high | 134 Ų | 134 | 63.8 Ų | 63.8 | 70% | 0.702 | 33% | 0.326 | S | S | * | . | trans | -67.6 | 137.3 | 172 | -62.8 | 176.5 | 0 | 0 | 0 | 109.5 | I51 P58 | I51-L53 HydrophobicContact CG2-CD2 4.46Å; L53-P58 HydrophobicContact CD2-CB 4.08Å | ||
| 54 | T | 92.1 | Very high | 96 | Very high | 71 Ų | 71 | 61.6 Ų | 61.6 | 44% | 0.436 | 32% | 0.316 | S | S | . | . | trans | -125.3 | 167.4 | 170.5 | 84.6 | 0 | 0 | 0 | 0 | 108.4 | K56 Q57 V59 | T54-K56 PolarHBondContact O-N 3.49Å; T54-K56 VanDerWaalsContact O-N 3.12Å; T54-K56 PolarHBondContact OG1-N 2.93Å; T54-Q57 WeakPolarHBondContact CG2-O 3.2Å; T54-Q57 PolarHBondContact OG1-N 2.85Å; T54-Q57 VanDerWaalsContact OG1-N 3.16Å; T54-Q57 PolarHBondContact OG1-O 2.83Å; T54-V59 HydrophobicContact CG2-CG2 4.31Å | ||
| 55 | S | 91.3 | Very high | 95.9 | Very high | 133 Ų | 133 | 56.3 Ų | 56.3 | 93% | 0.93 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -62.1 | -19.7 | -179.3 | -44.3 | 0 | 0 | 0 | 0 | 114.1 | ||
| 56 | K | 89.5 | Confident | 95.9 | Very high | 194 Ų | 194 | 57.6 Ų | 57.6 | 84% | 0.843 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -112.4 | -60.4 | -176.6 | -66.8 | -172.9 | 176.9 | -178.7 | 0 | 111.9 | T54 | T54-K56 PolarHBondContact O-N 3.49Å; T54-K56 VanDerWaalsContact O-N 3.12Å; T54-K56 PolarHBondContact OG1-N 2.93Å |
| 57 | Q | 94.3 | Very high | 95.8 | Very high | 69 Ų | 69 | 59.6 Ų | 59.6 | 32% | 0.322 | 31% | 0.31 | S | S | . | . | trans | -144.3 | 132.8 | -174 | -164.8 | 165.1 | 24.6 | 0 | 0 | 110 | L27 T54 | L27-Q57 WeakPolarHBondContact O-CG 3.32Å; L27-Q57 PolarHBondContact O-NE2 3.33Å; T54-Q57 WeakPolarHBondContact CG2-O 3.2Å; T54-Q57 PolarHBondContact OG1-N 2.85Å; T54-Q57 VanDerWaalsContact OG1-N 3.16Å; T54-Q57 PolarHBondContact OG1-O 2.83Å | ||
| 58 | P | 97.4 | Very high | 95.9 | Very high | 5 Ų | 5 | 59.5 Ų | 59.5 | 3% | 0.032 | 32% | 0.319 | C | S | . | . | trans | -64.4 | 152.9 | 177.2 | 25.7 | -32.5 | 0 | 0 | 0 | 111.4 | L27 P28 I31 I51 L53 | L27-P58 HydrophobicContact CB-CG 4.21Å; P28-P58 WeakPolarHBondContact O-CG 3.44Å; I31-P58 HydrophobicContact CG2-CB 3.74Å; I31-P58 HydrophobicContact CG2-CG 3.41Å; I31-P58 VanDerWaalsContact CG2-CG 3.41Å; I51-P58 HydrophobicContact CG2-CB 4.11Å; L53-P58 HydrophobicContact CD2-CB 4.08Å | ||
| 59 | V | 98 | Very high | 95.9 | Very high | 22 Ų | 22 | 59.6 Ų | 59.6 | 13% | 0.133 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 146.2 | 174.5 | -61 | 0 | 0 | 0 | 0 | 109.7 | F23 V24 K52 T54 F61 | F23-V59 HydrophobicContact CD2-CB 4.39Å; F23-V59 HydrophobicContact CE2-CB 3.55Å; F23-V59 HydrophobicContact CE2-CG1 3.71Å; F23-V59 HydrophobicContact CE2-CG2 3.86Å; F23-V59 HydrophobicContact CZ-CB 4.03Å; F23-V59 HydrophobicContact CZ-CG1 3.68Å; V24-V59 CarbonylContact O-C 3.34Å; V24-V59 WeakPolarHBondContact O-CA 3.34Å; K52-V59 HydrophobicContact CB-CG2 3.92Å; K52-V59 HydrophobicContact CG-CG2 4.48Å; K52-V59 PolarHBondContact N-O 3.06Å; K52-V59 PolarHBondContact O-N 3.46Å; T54-V59 HydrophobicContact CG2-CG2 4.31Å; V59-F61 HydrophobicContact CG2-CE2 4.2Å |
| 60 | G | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 151 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V24 L50 | V24-G60 PolarHBondContact N-O 3.15Å; V24-G60 PolarHBondContact O-N 2.86Å; L50-G60 CarbonylContact O-C 3.45Å; L50-G60 WeakPolarHBondContact O-CA 3.45Å |
| 61 | F | 98.1 | Very high | 96 | Very high | 40 Ų | 40 | 57.9 Ų | 57.9 | 18% | 0.175 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 129.3 | 164.1 | -66.6 | -86 | 0 | 0 | 0 | 108.3 | T21 L22 F23 S49 L50 K52 V59 A95 T99 | T21-F61 HydrophobicContact CG2-CB 4.18Å; T21-F61 HydrophobicContact CG2-CD1 4.33Å; L22-F61 CarbonylContact O-C 3.55Å; L22-F61 VanDerWaalsContact O-CA 3.24Å; L22-F61 WeakPolarHBondContact O-CA 3.49Å; F23-F61 HydrophobicContact CB-CE1 4.37Å; F23-F61 AromaticContact CD2-CE1 3.83Å; F23-F61 HydrophobicContact CD2-CE1 3.83Å; F23-F61 AromaticContact CD2-CZ 3.86Å; F23-F61 HydrophobicContact CD2-CZ 3.86Å; F23-F61 HydrophobicContact CE2-CZ 4.4Å; S49-F61 CarbonylContact C-O 3.49Å; S49-F61 WeakPolarHBondContact CA-O 3.4Å; L50-F61 PolarHBondContact N-O 3.31Å; L50-F61 PolarHBondContact O-N 2.92Å; K52-F61 HydrophobicContact CB-CE2 4.27Å; K52-F61 HydrophobicContact CD-CE2 4.35Å; V59-F61 HydrophobicContact CG2-CE2 4.2Å; F61-A95 HydrophobicContact CD1-CB 4.11Å; F61-A95 HydrophobicContact CE1-CB 4.19Å; F61-T99 HydrophobicContact CB-CG2 4.07Å; F61-T99 HydrophobicContact CD1-CG2 4.13Å; F61-T99 HydrophobicContact CG-CG2 4.1Å |
| 62 | V | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 118.7 | -179.7 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | T21 L22 V24 F40 Y46 F64 | T21-V62 CarbonylContact C-O 3.54Å; T21-V62 VanDerWaalsContact CA-O 3.28Å; T21-V62 WeakPolarHBondContact CA-O 3.31Å; L22-V62 HydrophobicContact CB-CB 4.49Å; L22-V62 PolarHBondContact N-O 3.43Å; L22-V62 PolarHBondContact O-N 3.39Å; V24-V62 HydrophobicContact CG2-CG2 3.83Å; F40-V62 HydrophobicContact CB-CG1 4.03Å; F40-V62 HydrophobicContact CD1-CG1 3.94Å; F40-V62 HydrophobicContact CD1-CG2 4.49Å; F40-V62 HydrophobicContact CD2-CG1 4.22Å; F40-V62 HydrophobicContact CD2-CG2 3.72Å; F40-V62 HydrophobicContact CE1-CG1 4.38Å; F40-V62 HydrophobicContact CE1-CG2 4.35Å; F40-V62 HydrophobicContact CE2-CG2 3.62Å; F40-V62 HydrophobicContact CG-CG1 3.8Å; F40-V62 HydrophobicContact CG-CG2 4.16Å; F40-V62 HydrophobicContact CZ-CG2 3.92Å; Y46-V62 HydrophobicContact CD2-CG1 3.76Å; Y46-V62 HydrophobicContact CE2-CG1 3.74Å; V62-F64 HydrophobicContact CB-CE2 4.29Å; V62-F64 HydrophobicContact CG1-CD2 4.26Å; V62-F64 HydrophobicContact CG1-CE2 3.56Å; V62-F64 HydrophobicContact CG1-CZ 4.01Å |
| 63 | T | 97 | Very high | 96.2 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 137.4 | -178.2 | -54.4 | 0 | 0 | 0 | 0 | 110.2 | R20 T21 E47 G48 T99 | R20-T63 HydrophobicContact CG-CG2 4.47Å; T21-T63 PolarHBondContact OG1-OG1 2.91Å; E47-T63 HydrophobicContact CB-CG2 4.43Å; E47-T63 WeakPolarHBondContact CB-O 3.2Å; E47-T63 PolarHBondContact N-O 3.09Å; E47-T63 WeakPolarHBondContact OE2-CG2 3.1Å; G48-T63 PolarHBondContact N-O 2.92Å; G48-T63 PolarHBondContact O-N 3.29Å; T63-T99 PolarHBondContact OG1-OG1 3.19Å |
| 64 | F | 97 | Very high | 96.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 166.4 | 173.8 | -69.6 | -96.6 | 0 | 0 | 0 | 111.5 | R20 L22 F40 F43 G45 V62 S66 A70 A73 | R20-F64 WeakPolarHBondContact CD-O 3.33Å; R20-F64 VanDerWaalsContact CG-O 3.22Å; R20-F64 WeakPolarHBondContact CG-O 3.14Å; R20-F64 VanDerWaalsContact CZ-O 3.28Å; R20-F64 PolarHBondContact NE-O 2.92Å; R20-F64 PolarHBondContact NH1-O 2.78Å; R20-F64 PolarHBondContact O-N 2.81Å; L22-F64 HydrophobicContact CD1-CE2 3.8Å; L22-F64 HydrophobicContact CG-CE2 4.19Å; F40-F64 HydrophobicContact CD1-CE2 4.36Å; F40-F64 AromaticContact CD1-CZ 3.87Å; F40-F64 HydrophobicContact CD1-CZ 3.87Å; F43-F64 HydrophobicContact CB-CE1 3.8Å; F43-F64 HydrophobicContact CB-CZ 4.34Å; G45-F64 CarbonylContact O-C 3.49Å; G45-F64 WeakPolarHBondContact O-CA 3.42Å; V62-F64 HydrophobicContact CB-CE2 4.29Å; V62-F64 HydrophobicContact CG1-CD2 4.26Å; V62-F64 HydrophobicContact CG1-CE2 3.56Å; V62-F64 HydrophobicContact CG1-CZ 4.01Å; F64-S66 VanDerWaalsContact C-N 3.27Å; F64-S66 WeakPolarHBondContact CB-O 3.19Å; F64-A70 HydrophobicContact CB-CB 4.07Å; F64-A70 HydrophobicContact CD2-CB 3.53Å; F64-A70 HydrophobicContact CE2-CB 4.19Å; F64-A70 HydrophobicContact CG-CB 3.91Å; F64-A73 HydrophobicContact CE1-CB 4.01Å; F64-A73 HydrophobicContact CE2-CB 4.09Å; F64-A73 HydrophobicContact CZ-CB 3.42Å; F64-A73 VanDerWaalsContact CZ-CB 3.42Å |
| 65 | D | 95.6 | Very high | 96.7 | Very high | 73 Ų | 73 | 51.2 Ų | 51.2 | 39% | 0.39 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -67.4 | -30.5 | 173.5 | 65.9 | 0.7 | 0 | 0 | 0 | 112 | R20 G45 E47 | R20-D65 PolarHBondContact NH1-O 3.11Å; G45-D65 VanDerWaalsContact CA-OD1 3.31Å; G45-D65 WeakPolarHBondContact CA-OD1 3.21Å; G45-D65 WeakPolarHBondContact CA-OD2 3.26Å; G45-D65 PolarHBondContact O-N 2.78Å; E47-D65 HydrophobicContact CG-CB 4.49Å; E47-D65 WeakPolarHBondContact OE1-CA 3.41Å |
| 66 | S | 95.4 | Very high | 97 | Very high | 42 Ų | 42 | 47.7 Ų | 47.7 | 29% | 0.294 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -147.1 | 153.8 | -171.4 | 58.2 | 0 | 0 | 0 | 0 | 111.1 | F64 S68 G69 A70 | F64-S66 VanDerWaalsContact C-N 3.27Å; F64-S66 WeakPolarHBondContact CB-O 3.19Å; S66-S68 PolarHBondContact OG-OG 3.43Å; S66-G69 PolarHBondContact O-N 2.79Å; S66-G69 PolarHBondContact OG-N 3.4Å; S66-A70 PolarHBondContact O-N 3.16Å |
| 67 | R | 96.1 | Very high | 97.4 | Very high | 91 Ų | 91 | 39.2 Ų | 39.2 | 34% | 0.343 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.9 | -38.5 | 176.7 | -173.5 | -176.4 | -163.5 | 160 | 2.2 | 112.5 | E18 G69 A70 E71 F94 | E18-R67 VanDerWaalsContact CD-CB 3.41Å; E18-R67 HydrophobicContact CG-CB 3.69Å; E18-R67 HydrophobicContact CG-CG 4.07Å; E18-R67 WeakPolarHBondContact OE1-CD 3.4Å; E18-R67 IonicContact OE1-CZ 3.78Å; E18-R67 IonicContact OE1-NE 3.98Å; E18-R67 IonicContact OE1-NH1 2.83Å; E18-R67 PolarHBondContact OE1-NH1 3.44Å; E18-R67 VanDerWaalsContact OE2-CB 3.29Å; E18-R67 WeakPolarHBondContact OE2-CB 3.5Å; R67-G69 VanDerWaalsContact C-N 3.27Å; R67-G69 PolarHBondContact O-N 2.98Å; R67-A70 CarbonylContact O-C 3.56Å; R67-A70 WeakPolarHBondContact O-CA 3.49Å; R67-A70 WeakPolarHBondContact O-CB 3.38Å; R67-A70 PolarHBondContact O-N 3.12Å; R67-A70 VanDerWaalsContact O-N 3.08Å; R67-E71 WeakPolarHBondContact O-CB 3.37Å; R67-E71 PolarHBondContact O-N 3.49Å; R67-F94 HydrophobicContact CG-CE1 3.58Å; R67-F94 HydrophobicContact CG-CE2 4.49Å; R67-F94 HydrophobicContact CG-CZ 3.47Å; R67-F94 VanDerWaalsContact CG-CZ 3.47Å |
| 68 | S | 96.9 | Very high | 97.6 | Very high | 83 Ų | 83 | 39.8 Ų | 39.8 | 58% | 0.58 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -59.2 | -40 | 179 | 55.2 | 0 | 0 | 0 | 0 | 111.7 | S66 E71 A72 | S66-S68 PolarHBondContact OG-OG 3.43Å; S68-E71 PolarHBondContact O-N 2.87Å; S68-A72 WeakPolarHBondContact O-CB 3.16Å; S68-A72 PolarHBondContact O-N 2.8Å |
| 69 | G | 96.9 | Very high | 97.6 | Very high | 11 Ų | 11 | 41.6 Ų | 41.6 | 11% | 0.113 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.6 | -45.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S66 R67 E71 A72 A73 | S66-G69 PolarHBondContact O-N 2.79Å; S66-G69 PolarHBondContact OG-N 3.4Å; R67-G69 VanDerWaalsContact C-N 3.27Å; R67-G69 PolarHBondContact O-N 2.98Å; G69-E71 PolarHBondContact O-N 2.61Å; G69-A72 PolarHBondContact O-N 3.38Å; G69-A73 PolarHBondContact O-N 2.93Å; G69-A73 VanDerWaalsContact O-N 3.11Å |
| 70 | A | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L22 F64 S66 R67 A73 K74 F94 | L22-A70 WeakPolarHBondContact CD1-O 3.43Å; L22-A70 HydrophobicContact CD2-CB 3.99Å; L22-A70 HydrophobicContact CG-CB 4.07Å; F64-A70 HydrophobicContact CB-CB 4.07Å; F64-A70 HydrophobicContact CD2-CB 3.53Å; F64-A70 HydrophobicContact CE2-CB 4.19Å; F64-A70 HydrophobicContact CG-CB 3.91Å; S66-A70 PolarHBondContact O-N 3.16Å; R67-A70 CarbonylContact O-C 3.56Å; R67-A70 WeakPolarHBondContact O-CA 3.49Å; R67-A70 WeakPolarHBondContact O-CB 3.38Å; R67-A70 PolarHBondContact O-N 3.12Å; R67-A70 VanDerWaalsContact O-N 3.08Å; A70-A73 PolarHBondContact O-N 3.38Å; A70-K74 WeakPolarHBondContact O-CB 3.47Å; A70-K74 PolarHBondContact O-N 2.87Å; A70-F94 HydrophobicContact CB-CE1 3.95Å |
| 71 | E | 98.4 | Very high | 97.6 | Very high | 91 Ų | 91 | 51 Ų | 51 | 43% | 0.425 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.1 | -43.3 | 178.3 | -177.1 | 168.3 | -138.4 | 0 | 0 | 111.9 | R67 S68 G69 A73 K74 N75 F94 | R67-E71 WeakPolarHBondContact O-CB 3.37Å; R67-E71 PolarHBondContact O-N 3.49Å; S68-E71 PolarHBondContact O-N 2.87Å; G69-E71 PolarHBondContact O-N 2.61Å; E71-A73 VanDerWaalsContact C-N 3.32Å; E71-A73 PolarHBondContact O-N 2.92Å; E71-K74 WeakPolarHBondContact O-CB 3.47Å; E71-K74 PolarHBondContact O-N 3.41Å; E71-N75 WeakPolarHBondContact O-CB 3.4Å; E71-N75 PolarHBondContact O-N 3.17Å; E71-N75 PolarHBondContact O-ND2 3.26Å; E71-F94 HydrophobicContact CB-CZ 4.19Å |
| 72 | A | 98.5 | Very high | 97.5 | Very high | 56 Ų | 56 | 51.2 Ų | 51.2 | 46% | 0.463 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59 | -44.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S68 G69 N75 A76 | S68-A72 WeakPolarHBondContact O-CB 3.16Å; S68-A72 PolarHBondContact O-N 2.8Å; G69-A72 PolarHBondContact O-N 3.38Å; A72-N75 PolarHBondContact O-N 3Å; A72-A76 WeakPolarHBondContact O-CB 3.45Å; A72-A76 PolarHBondContact O-N 3.39Å; A72-A76 VanDerWaalsContact O-N 3.09Å |
| 73 | A | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L22 F40 F43 F64 G69 A70 E71 N75 A76 L77 | L22-A73 HydrophobicContact CD1-CB 4.24Å; F40-A73 HydrophobicContact CD1-CB 4.18Å; F40-A73 HydrophobicContact CE1-CB 4.25Å; F43-A73 HydrophobicContact CB-CB 4.06Å; F43-A73 VanDerWaalsContact CD1-CA 3.48Å; F43-A73 HydrophobicContact CD1-CB 3.67Å; F43-A73 HydrophobicContact CD2-CB 4.15Å; F43-A73 HydrophobicContact CE1-CB 4.15Å; F43-A73 HydrophobicContact CG-CB 3.66Å; F64-A73 HydrophobicContact CE1-CB 4.01Å; F64-A73 HydrophobicContact CE2-CB 4.09Å; F64-A73 HydrophobicContact CZ-CB 3.42Å; F64-A73 VanDerWaalsContact CZ-CB 3.42Å; G69-A73 PolarHBondContact O-N 2.93Å; G69-A73 VanDerWaalsContact O-N 3.11Å; A70-A73 PolarHBondContact O-N 3.38Å; E71-A73 VanDerWaalsContact C-N 3.32Å; E71-A73 PolarHBondContact O-N 2.92Å; A73-N75 PolarHBondContact O-N 2.83Å; A73-A76 PolarHBondContact O-N 3.29Å; A73-L77 WeakPolarHBondContact O-CB 3.46Å; A73-L77 WeakPolarHBondContact O-CG 3.12Å; A73-L77 PolarHBondContact O-N 3.11Å |
| 74 | K | 98.6 | Very high | 97.2 | Very high | 54 Ų | 54 | 59.1 Ų | 59.1 | 24% | 0.235 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56 | -52.1 | 174.3 | -179.1 | -170.4 | 169.2 | -154 | 0 | 110.9 | L22 A70 E71 A76 L77 N78 L92 | L22-K74 HydrophobicContact CD1-CB 4.18Å; L22-K74 HydrophobicContact CD2-CB 4.12Å; A70-K74 WeakPolarHBondContact O-CB 3.47Å; A70-K74 PolarHBondContact O-N 2.87Å; E71-K74 WeakPolarHBondContact O-CB 3.47Å; E71-K74 PolarHBondContact O-N 3.41Å; K74-A76 VanDerWaalsContact C-N 3.3Å; K74-A76 PolarHBondContact O-N 3.01Å; K74-L77 PolarHBondContact O-N 3.18Å; K74-N78 WeakPolarHBondContact O-CB 3.44Å; K74-N78 PolarHBondContact O-N 2.89Å; K74-L92 HydrophobicContact CB-CB 4.33Å; K74-L92 WeakPolarHBondContact CE-O 3.3Å; K74-L92 HydrophobicContact CG-CB 3.84Å; K74-L92 WeakPolarHBondContact CG-O 3.4Å |
| 75 | N | 98.5 | Very high | 97.2 | Very high | 111 Ų | 111 | 67.8 Ų | 67.8 | 59% | 0.594 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -64.7 | -34.6 | -175.3 | -69 | -16.3 | 0 | 0 | 0 | 112.5 | E71 A72 A73 | E71-N75 WeakPolarHBondContact O-CB 3.4Å; E71-N75 PolarHBondContact O-N 3.17Å; E71-N75 PolarHBondContact O-ND2 3.26Å; A72-N75 PolarHBondContact O-N 3Å; A73-N75 PolarHBondContact O-N 2.83Å |
| 76 | A | 98.4 | Very high | 97 | Very high | 58 Ų | 58 | 66.1 Ų | 66.1 | 48% | 0.479 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -76.5 | -34.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | F43 A72 A73 K74 | F43-A76 HydrophobicContact CE1-CB 3.59Å; F43-A76 HydrophobicContact CZ-CB 3.73Å; A72-A76 WeakPolarHBondContact O-CB 3.45Å; A72-A76 PolarHBondContact O-N 3.39Å; A72-A76 VanDerWaalsContact O-N 3.09Å; A73-A76 PolarHBondContact O-N 3.29Å; K74-A76 VanDerWaalsContact C-N 3.3Å; K74-A76 PolarHBondContact O-N 3.01Å |
| 77 | L | 98.4 | Very high | 97 | Very high | 16 Ų | 16 | 69 Ų | 69 | 8% | 0.084 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -106.4 | -12.2 | -170.1 | -58.7 | 176.4 | 0 | 0 | 0 | 114 | L39 F40 F43 A73 K74 G79 I80 L92 | L39-L77 HydrophobicContact CD1-CD1 4.29Å; L39-L77 HydrophobicContact CD1-CD2 3.9Å; L39-L77 HydrophobicContact CD2-CD1 4.24Å; L39-L77 HydrophobicContact CG-CD1 3.92Å; L39-L77 HydrophobicContact CG-CD2 4.45Å; F40-L77 HydrophobicContact CD1-CD1 3.73Å; F40-L77 HydrophobicContact CE1-CD1 3.43Å; F40-L77 VanDerWaalsContact CE1-CD1 3.43Å; F40-L77 HydrophobicContact CE2-CD1 4.38Å; F40-L77 HydrophobicContact CG-CD1 4.39Å; F40-L77 HydrophobicContact CZ-CD1 3.8Å; F43-L77 HydrophobicContact CD2-CD1 4.34Å; F43-L77 HydrophobicContact CE2-CD1 3.55Å; F43-L77 HydrophobicContact CE2-CD2 4Å; F43-L77 HydrophobicContact CE2-CG 3.84Å; F43-L77 HydrophobicContact CZ-CD1 3.93Å; F43-L77 HydrophobicContact CZ-CD2 3.89Å; F43-L77 HydrophobicContact CZ-CG 3.7Å; A73-L77 WeakPolarHBondContact O-CB 3.46Å; A73-L77 WeakPolarHBondContact O-CG 3.12Å; A73-L77 PolarHBondContact O-N 3.11Å; K74-L77 PolarHBondContact O-N 3.18Å; L77-G79 PolarHBondContact O-N 3.1Å; L77-I80 HydrophobicContact CB-CD1 4.27Å; L77-I80 HydrophobicContact CD2-CD1 3.75Å; L77-I80 WeakPolarHBondContact O-CG1 3.49Å; L77-I80 PolarHBondContact O-N 2.85Å; L77-L92 HydrophobicContact CB-CD1 4.22Å; L77-L92 HydrophobicContact CB-CD2 3.78Å; L77-L92 HydrophobicContact CD1-CD2 4.32Å |
| 78 | N | 98.1 | Very high | 97 | Very high | 82 Ų | 82 | 68.2 Ų | 68.2 | 44% | 0.439 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | 124.1 | -179.3 | -169.1 | 49.9 | 0 | 0 | 0 | 111.2 | K74 R91 L92 | K74-N78 WeakPolarHBondContact O-CB 3.44Å; K74-N78 PolarHBondContact O-N 2.89Å; N78-R91 WeakPolarHBondContact OD1-CA 3.45Å; N78-L92 HydrophobicContact CB-CB 4.41Å; N78-L92 PolarHBondContact OD1-N 2.78Å |
| 79 | G | 97.8 | Very high | 97.1 | Very high | 43 Ų | 43 | 66.7 Ų | 66.7 | 44% | 0.443 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | -2.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L77 T89 L90 | L77-G79 PolarHBondContact O-N 3.1Å; G79-T89 VanDerWaalsContact O-CG2 3.32Å; G79-T89 WeakPolarHBondContact O-CG2 3.24Å; G79-L90 WeakPolarHBondContact CA-O 3.05Å; G79-L90 PolarHBondContact N-O 3.37Å |
| 80 | I | 97.6 | Very high | 97.1 | Very high | 58 Ų | 58 | 66.1 Ų | 66.1 | 30% | 0.297 | 37% | 0.368 | S | S | . | . | trans | -71.8 | 151.5 | 176 | 77.1 | 178.9 | 0 | 0 | 0 | 110.9 | L39 L77 T89 L90 | L39-I80 HydrophobicContact CD1-CD1 4.29Å; L77-I80 HydrophobicContact CB-CD1 4.27Å; L77-I80 HydrophobicContact CD2-CD1 3.75Å; L77-I80 WeakPolarHBondContact O-CG1 3.49Å; L77-I80 PolarHBondContact O-N 2.85Å; I80-T89 CarbonylContact O-C 3.52Å; I80-T89 VanDerWaalsContact O-CA 3.27Å; I80-T89 WeakPolarHBondContact O-CA 3.22Å; I80-L90 HydrophobicContact CD1-CD1 4.19Å; I80-L90 HydrophobicContact CG1-CB 4.36Å; I80-L90 HydrophobicContact CG1-CD1 4.02Å; I80-L90 HydrophobicContact CG1-CG 4.23Å; I80-L90 PolarHBondContact O-N 3.27Å | ||
| 81 | R | 97.4 | Very high | 97.2 | Very high | 161 Ų | 161 | 72.5 Ų | 72.5 | 61% | 0.608 | 39% | 0.392 | S | S | * | . | B | Isolated β-bridge | trans | -76.9 | 124.9 | 167.3 | -67.5 | -176.2 | -178.4 | -173.3 | 1 | 109 | T89 | R81-T89 HydrophobicContact CG-CG2 4.05Å |
| 82 | F | 96.7 | Very high | 97.2 | Very high | 45 Ų | 45 | 68.2 Ų | 68.2 | 20% | 0.197 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -75.1 | -40.7 | 178.8 | -172.8 | -99.4 | 0 | 0 | 0 | 111.8 | P28 I31 E35 L39 L90 | P28-F82 HydrophobicContact CG-CD1 3.62Å; P28-F82 HydrophobicContact CG-CE1 3.75Å; I31-F82 HydrophobicContact CD1-CD1 4.19Å; I31-F82 HydrophobicContact CD1-CE1 3.22Å; I31-F82 HydrophobicContact CD1-CE2 4.09Å; I31-F82 HydrophobicContact CD1-CZ 3.14Å; E35-F82 HydrophobicContact CB-CZ 3.74Å; L39-F82 HydrophobicContact CD2-CD2 4.11Å; L39-F82 HydrophobicContact CD2-CE2 3.92Å; F82-L90 HydrophobicContact CB-CD2 3.72Å; F82-L90 HydrophobicContact CB-CG 3.91Å; F82-L90 HydrophobicContact CD2-CD1 3.89Å; F82-L90 HydrophobicContact CD2-CD2 3.85Å; F82-L90 HydrophobicContact CD2-CG 4.1Å; F82-L90 HydrophobicContact CG-CD2 4.01Å; F82-L90 HydrophobicContact CG-CG 4.43Å |
| 83 | D | 95.1 | Very high | 97.2 | Very high | 50 Ų | 50 | 69.6 Ų | 69.6 | 27% | 0.267 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -122.3 | 124.4 | -179.2 | 176.5 | -2.6 | 0 | 0 | 0 | 107.8 | E85 S86 | D83-E85 PolarHBondContact O-N 3.48Å; D83-E85 PolarHBondContact OD1-N 2.86Å; D83-S86 PolarHBondContact O-N 3.06Å |
| 84 | P | 93.9 | Very high | 97.1 | Very high | 117 Ų | 117 | 72 Ų | 72 | 76% | 0.76 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -25.6 | 179.2 | 26.7 | -35.9 | 0 | 0 | 0 | 114 | S86 | P84-S86 VanDerWaalsContact C-N 3.29Š|
| 85 | E | 95.4 | Very high | 97.1 | Very high | 181 Ų | 181 | 69.9 Ų | 69.9 | 85% | 0.846 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -20.2 | 179.3 | -60.9 | -169.8 | 169.6 | 0 | 0 | 112 | D83 | D83-E85 PolarHBondContact O-N 3.48Å; D83-E85 PolarHBondContact OD1-N 2.86Å |
| 86 | S | 92.2 | Very high | 96.9 | Very high | 39 Ų | 39 | 74.9 Ų | 74.9 | 27% | 0.273 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -103.6 | 134.6 | 179.3 | -173.1 | 0 | 0 | 0 | 0 | 111.7 | D83 P84 Q88 | D83-S86 PolarHBondContact O-N 3.06Å; P84-S86 VanDerWaalsContact C-N 3.29Å; S86-Q88 PolarHBondContact O-N 3.47Å; S86-Q88 WeakPolarHBondContact OG-CB 3.28Å; S86-Q88 PolarHBondContact OG-N 2.74Å |
| 87 | P | 95.4 | Very high | 96.7 | Very high | 102 Ų | 102 | 75.1 Ų | 75.1 | 66% | 0.662 | 39% | 0.39 | S | S | * | . | trans | -71.4 | -7.6 | 172 | 30.8 | -35 | 0 | 0 | 0 | 112.8 | ||||
| 88 | Q | 96.4 | Very high | 96.4 | Very high | 75 Ų | 75 | 76.9 Ų | 76.9 | 35% | 0.35 | 40% | 0.4 | S | S | . | . | trans | -64.6 | 133.6 | -178.3 | -176.5 | 62.9 | 50.9 | 0 | 0 | 111.5 | G26 S86 | G26-Q88 WeakPolarHBondContact O-CG 3.49Å; S86-Q88 PolarHBondContact O-N 3.47Å; S86-Q88 WeakPolarHBondContact OG-CB 3.28Å; S86-Q88 PolarHBondContact OG-N 2.74Å | ||
| 89 | T | 98.1 | Very high | 95.9 | Very high | 50 Ų | 50 | 75 Ų | 75 | 31% | 0.307 | 39% | 0.391 | S | S | . | . | B | Isolated β-bridge | trans | -104.4 | 152.3 | 175.3 | 58.4 | 0 | 0 | 0 | 0 | 111.8 | G79 I80 R81 | G79-T89 VanDerWaalsContact O-CG2 3.32Å; G79-T89 WeakPolarHBondContact O-CG2 3.24Å; I80-T89 CarbonylContact O-C 3.52Å; I80-T89 VanDerWaalsContact O-CA 3.27Å; I80-T89 WeakPolarHBondContact O-CA 3.22Å; R81-T89 HydrophobicContact CG-CG2 4.05Å |
| 90 | L | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 41% | 0.414 | C | S | . | . | trans | -70.1 | 138.4 | 169.3 | -69.5 | -168.5 | 0 | 0 | 0 | 110.7 | V24 S25 L27 L39 G79 I80 F82 L92 | V24-L90 HydrophobicContact CG1-CD2 4.16Å; S25-L90 WeakPolarHBondContact O-CA 3.49Å; L27-L90 HydrophobicContact CD2-CD2 3.63Å; L39-L90 HydrophobicContact CD2-CD1 3.59Å; G79-L90 WeakPolarHBondContact CA-O 3.05Å; G79-L90 PolarHBondContact N-O 3.37Å; I80-L90 HydrophobicContact CD1-CD1 4.19Å; I80-L90 HydrophobicContact CG1-CB 4.36Å; I80-L90 HydrophobicContact CG1-CD1 4.02Å; I80-L90 HydrophobicContact CG1-CG 4.23Å; I80-L90 PolarHBondContact O-N 3.27Å; F82-L90 HydrophobicContact CB-CD2 3.72Å; F82-L90 HydrophobicContact CB-CG 3.91Å; F82-L90 HydrophobicContact CD2-CD1 3.89Å; F82-L90 HydrophobicContact CD2-CD2 3.85Å; F82-L90 HydrophobicContact CD2-CG 4.1Å; F82-L90 HydrophobicContact CG-CD2 4.01Å; F82-L90 HydrophobicContact CG-CG 4.43Å; L90-L92 HydrophobicContact CB-CD1 3.71Å; L90-L92 HydrophobicContact CD1-CD1 4.21Å | ||
| 91 | R | 98.5 | Very high | 94 | Very high | 134 Ų | 134 | 83 Ų | 83 | 51% | 0.506 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 117.9 | 170 | -70.7 | -177.3 | 59.5 | -172.7 | -6.3 | 109.8 | S25 N78 E93 | S25-R91 PolarHBondContact N-O 2.83Å; S25-R91 PolarHBondContact O-N 2.97Å; S25-R91 WeakPolarHBondContact OG-CB 3.37Å; S25-R91 PolarHBondContact OG-O 3.23Å; N78-R91 WeakPolarHBondContact OD1-CA 3.45Å; R91-E93 IonicContact CZ-OE1 2.86Å; R91-E93 IonicContact NE-OE1 2.9Å; R91-E93 IonicContact NH2-OE1 3.67Å; R91-E93 PolarHBondContact NH2-OE1 3.26Å |
| 92 | L | 98.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 80.1 Ų | 80.1 | 1% | 0.005 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 122.8 | -177.9 | -72.6 | 74.5 | 0 | 0 | 0 | 109.4 | L22 F23 V24 F40 K74 L77 N78 L90 | L22-L92 HydrophobicContact CD1-CD2 4.05Å; F23-L92 WeakPolarHBondContact O-CA 3.41Å; V24-L92 HydrophobicContact CG1-CD1 4.4Å; V24-L92 HydrophobicContact CG1-CG 4.48Å; V24-L92 HydrophobicContact CG2-CG 4.37Å; F40-L92 HydrophobicContact CE1-CD2 3.72Å; F40-L92 HydrophobicContact CZ-CD2 3.65Å; F40-L92 HydrophobicContact CZ-CG 4.42Å; K74-L92 HydrophobicContact CB-CB 4.33Å; K74-L92 WeakPolarHBondContact CE-O 3.3Å; K74-L92 HydrophobicContact CG-CB 3.84Å; K74-L92 WeakPolarHBondContact CG-O 3.4Å; L77-L92 HydrophobicContact CB-CD1 4.22Å; L77-L92 HydrophobicContact CB-CD2 3.78Å; L77-L92 HydrophobicContact CD1-CD2 4.32Å; N78-L92 HydrophobicContact CB-CB 4.41Å; N78-L92 PolarHBondContact OD1-N 2.78Å; L90-L92 HydrophobicContact CB-CD1 3.71Å; L90-L92 HydrophobicContact CD1-CD1 4.21Å |
| 93 | E | 98.4 | Very high | 90.4 | Very high | 85 Ų | 85 | 87 Ų | 87 | 40% | 0.397 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 157.9 | 177.6 | -67.1 | 176.6 | -165.8 | 0 | 0 | 108.8 | L22 F23 R91 A95 | L22-E93 CarbonylContact C-O 3.5Å; L22-E93 WeakPolarHBondContact CA-O 3.32Å; F23-E93 PolarHBondContact N-O 3.24Å; F23-E93 PolarHBondContact O-N 3.08Å; R91-E93 IonicContact CZ-OE1 2.86Å; R91-E93 IonicContact NE-OE1 2.9Å; R91-E93 IonicContact NH2-OE1 3.67Å; R91-E93 PolarHBondContact NH2-OE1 3.26Å; E93-A95 PolarHBondContact O-N 3.36Å |
| 94 | F | 98.2 | Very high | 88 | Confident | 50 Ų | 50 | 89.6 Ų | 89.6 | 22% | 0.219 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 135.3 | 168.8 | -79.6 | -72.2 | 0 | 0 | 0 | 108.8 | V19 L22 R67 A70 E71 | V19-F94 HydrophobicContact CB-CD1 4.4Å; V19-F94 HydrophobicContact CG1-CB 4.37Å; V19-F94 HydrophobicContact CG1-CD1 4.19Å; V19-F94 WeakPolarHBondContact O-CD1 3.49Å; V19-F94 WeakPolarHBondContact O-CE1 3.23Å; L22-F94 HydrophobicContact CD2-CD1 3.99Å; L22-F94 HydrophobicContact CD2-CE1 4.01Å; R67-F94 HydrophobicContact CG-CE1 3.58Å; R67-F94 HydrophobicContact CG-CE2 4.49Å; R67-F94 HydrophobicContact CG-CZ 3.47Å; R67-F94 VanDerWaalsContact CG-CZ 3.47Å; A70-F94 HydrophobicContact CB-CE1 3.95Å; E71-F94 HydrophobicContact CB-CZ 4.19Å |
| 95 | A | 97.3 | Very high | 85.7 | Confident | 9 Ų | 9 | 93.4 Ų | 93.4 | 7% | 0.074 | 48% | 0.48 | C | S | . | . | trans | -62.1 | 165.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | V19 T21 F23 F61 E93 A97 | V19-A95 HydrophobicContact CG1-CB 4.44Å; V19-A95 WeakPolarHBondContact CG1-O 3.28Å; T21-A95 HydrophobicContact CG2-CB 4.02Å; T21-A95 VanDerWaalsContact O-CB 3.3Å; T21-A95 WeakPolarHBondContact O-CB 3.42Å; T21-A95 PolarHBondContact O-N 2.95Å; F23-A95 HydrophobicContact CB-CB 4.42Å; F61-A95 HydrophobicContact CD1-CB 4.11Å; F61-A95 HydrophobicContact CE1-CB 4.19Å; E93-A95 PolarHBondContact O-N 3.36Å; A95-A97 WeakPolarHBondContact CB-O 3.33Å; A95-A97 PolarHBondContact O-N 3.45Å | ||
| 96 | K | 94.7 | Very high | 83.7 | Confident | 217 Ų | 217 | 92 Ų | 92 | 94% | 0.943 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -68.2 | -24.9 | 175.5 | -68.9 | -179.8 | 174.9 | 176.6 | 0 | 112.8 | ||
| 97 | A | 94.1 | Very high | 81.6 | Confident | 62 Ų | 62 | 99.4 Ų | 99.4 | 51% | 0.512 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -159 | 164.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | A95 | A95-A97 WeakPolarHBondContact CB-O 3.33Å; A95-A97 PolarHBondContact O-N 3.45Å |
| 98 | N | 93 | Very high | 78.9 | Confident | 54 Ų | 54 | 99 Ų | 99 | 29% | 0.289 | 52% | 0.515 | S | S | . | . | trans | -70.1 | 133 | 172.3 | -72.2 | -38.6 | 0 | 0 | 0 | 111.2 | E18 V19 R20 T21 | E18-N98 PolarHBondContact O-ND2 3.39Å; V19-N98 WeakPolarHBondContact CA-OD1 3.4Å; R20-N98 WeakPolarHBondContact CG-OD1 3.44Å; R20-N98 PolarHBondContact N-OD1 2.99Å; T21-N98 PolarHBondContact N-OD1 3.37Å; T21-N98 WeakPolarHBondContact OG1-CA 3.49Å; T21-N98 PolarHBondContact OG1-OD1 3.22Å | ||
| 99 | T | 87.6 | Confident | 76.6 | Confident | 41 Ų | 41 | 101.2 Ų | 101.2 | 25% | 0.252 | 53% | 0.534 | S | S | . | . | trans | -80.9 | 132.9 | 175 | 47.2 | 0 | 0 | 0 | 0 | 110.5 | T21 F61 T63 M101 | T21-T99 HydrophobicContact CG2-CG2 4.14Å; T21-T99 WeakPolarHBondContact CG2-OG1 3.45Å; T21-T99 PolarHBondContact OG1-N 2.77Å; F61-T99 HydrophobicContact CB-CG2 4.07Å; F61-T99 HydrophobicContact CD1-CG2 4.13Å; F61-T99 HydrophobicContact CG-CG2 4.1Å; T63-T99 PolarHBondContact OG1-OG1 3.19Å; T99-M101 PolarHBondContact O-N 2.75Å | ||
| 100 | K | 82.6 | Confident | 74 | Confident | 212 Ų | 212 | 104.6 Ų | 104.6 | 92% | 0.922 | 56% | 0.557 | S | S | * | * | trans | -73.4 | 97.2 | 168.3 | -68.9 | -176.2 | -180 | 179.9 | 0 | 108.4 | ||||
| 101 | M | 71.7 | Confident | 71.2 | Confident | 59 Ų | 59 | 110.4 Ų | 110.4 | 29% | 0.291 | 59% | 0.588 | S | S | . | * | trans | -78.6 | 130.4 | 170.5 | -65.3 | -145.8 | -61.8 | 0 | 0 | 109.6 | E47 G48 T99 K103 | E47-M101 HydrophobicContact CB-CE 3.75Å; E47-M101 WeakPolarHBondContact O-CE 3.45Å; G48-M101 VanDerWaalsContact C-CE 3.44Å; T99-M101 PolarHBondContact O-N 2.75Å; M101-K103 PolarHBondContact O-N 2.83Å | ||
| 102 | A | 62.7 | Low | 68.6 | Low | 99 Ų | 99 | 109.6 Ų | 109.6 | 82% | 0.818 | 60% | 0.6 | S | S | * | * | trans | -66.2 | 107.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | S104 | A102-S104 PolarHBondContact O-N 3.39Š| ||
| 103 | K | 57.1 | Low | 66.1 | Low | 190 Ų | 190 | 115 Ų | 115 | 83% | 0.826 | 63% | 0.633 | S | S | * | * | trans | -51 | 109.3 | 167 | -103.1 | 175.3 | 175.3 | 169.6 | 0 | 106.5 | M101 K105 | M101-K103 PolarHBondContact O-N 2.83Å; K103-K105 VanDerWaalsContact C-N 3.28Å; K103-K105 PolarHBondContact O-N 3.26Å | ||
| 104 | S | 44.4 | Very low | 63.6 | Low | 104 Ų | 104 | 116.6 Ų | 116.6 | 73% | 0.727 | 65% | 0.645 | S | S | * | * | trans | -62.7 | 99.4 | 167.2 | 40 | 0 | 0 | 0 | 0 | 106.3 | A102 L106 | A102-S104 PolarHBondContact O-N 3.39Å; S104-L106 PolarHBondContact O-N 2.9Å | ||
| 105 | K | 46.1 | Very low | 61 | Low | 197 Ų | 197 | 121.8 Ų | 121.8 | 86% | 0.857 | 67% | 0.673 | S | S | * | * | trans | -70.3 | 63.8 | 168.8 | -67.1 | -172.4 | 179.9 | -179.2 | 0 | 109 | K103 | K103-K105 VanDerWaalsContact C-N 3.28Å; K103-K105 PolarHBondContact O-N 3.26Å | ||
| 106 | L | 52.9 | Low | 58.5 | Low | 153 Ų | 153 | 128.2 Ų | 128.2 | 80% | 0.801 | 70% | 0.701 | S | S | * | * | trans | -107.6 | 119.3 | 164.3 | -65 | 179.3 | 0 | 0 | 0 | 106.5 | S104 | S104-L106 PolarHBondContact O-N 2.9Š| ||
| 107 | M | 47.7 | Very low | 55.9 | Low | 194 Ų | 194 | 124.3 Ų | 124.3 | 96% | 0.956 | 70% | 0.698 | S | S | * | * | trans | 90.3 | 59 | -169.2 | -51.9 | -171.5 | 178.1 | 0 | 0 | 115.9 | ||||
| 108 | A | 38.6 | Very low | 53.5 | Low | 92 Ų | 92 | 126 Ų | 126 | 76% | 0.76 | 71% | 0.711 | S | S | * | * | -121.9 | 96.8 | 127.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | |||||
| 109 | T | 48.7 | Very low | 51.7 | Low | 123 Ų | 123 | 132 Ų | 132 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 124.3 | 162.2 | 46.3 | 0 | 0 | 0 | 0 | 107.3 | N111 | T109-N111 PolarHBondContact O-N 2.84Å; T109-N111 VanDerWaalsContact O-N 3.1Å |
| 110 | P | 44.1 | Very low | 49.6 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 118.7 | 162.6 | 27.4 | -29.1 | 0 | 0 | 0 | 105.8 | P112 | P110-P112 WeakPolarHBondContact O-CD 3.29Š|
| 111 | N | 38 | Very low | 47.8 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 65% | 0.652 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 117.4 | 167.9 | -177 | 53.5 | 0 | 0 | 0 | 108.2 | T109 T113 | T109-N111 PolarHBondContact O-N 2.84Å; T109-N111 VanDerWaalsContact O-N 3.1Å; N111-T113 PolarHBondContact ND2-OG1 2.81Å; N111-T113 VanDerWaalsContact ND2-OG1 3.11Å; N111-T113 PolarHBondContact O-N 3.05Å |
| 112 | P | 44.2 | Very low | 46.8 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | -85.3 | 83.3 | 169.2 | 33.6 | -28.3 | 0 | 0 | 0 | 108.3 | P110 N114 | P110-P112 WeakPolarHBondContact O-CD 3.29Å; P112-N114 VanDerWaalsContact C-N 3.3Å; P112-N114 PolarHBondContact O-N 3.37Å | ||
| 113 | T | 47.2 | Very low | 46 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 69% | 0.693 | 79% | 0.787 | S | S | * | * | trans | -72.8 | 94.7 | 160.7 | 9 | 0 | 0 | 0 | 0 | 108.4 | N111 | N111-T113 PolarHBondContact ND2-OG1 2.81Å; N111-T113 VanDerWaalsContact ND2-OG1 3.11Å; N111-T113 PolarHBondContact O-N 3.05Å | ||
| 114 | N | 44.9 | Very low | 45.6 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 64% | 0.642 | 78% | 0.783 | S | S | * | * | trans | 5.2 | 112.6 | 148.2 | -170.6 | -14.2 | 0 | 0 | 0 | 116.5 | P112 H116 | P112-N114 VanDerWaalsContact C-N 3.3Å; P112-N114 PolarHBondContact O-N 3.37Å; N114-H116 PolarHBondContact OD1-N 3.17Å | ||
| 115 | I | 44.3 | Very low | 46.1 | Very low | 158 Ų | 158 | 136.1 Ų | 136.1 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -136.9 | 94 | 147.6 | -53.6 | 179.1 | 0 | 0 | 0 | 108.1 | ||||
| 116 | H | 44.5 | Very low | 46 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | trans | 18 | 124.6 | 148.2 | -58.7 | -97.7 | 0 | 0 | 0 | 119.8 | N114 A118 | N114-H116 PolarHBondContact OD1-N 3.17Å; H116-A118 PolarHBondContact O-N 2.79Å | ||
| 117 | P | 40 | Very low | 45.5 | Very low | 135 Ų | 135 | 137.1 Ų | 137.1 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | trans | -81.3 | 105.2 | 157.4 | 30.5 | -26.3 | 0 | 0 | 0 | 109.7 | ||||
| 118 | A | 44.2 | Very low | 45.8 | Very low | 96 Ų | 96 | 132.5 Ų | 132.5 | 79% | 0.793 | 77% | 0.772 | S | S | * | * | trans | -83.6 | 134.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | H116 | H116-A118 PolarHBondContact O-N 2.79Š| ||
| 119 | L | 53.8 | Low | 45.8 | Very low | 181 Ų | 181 | 138.7 Ų | 138.7 | 95% | 0.948 | 78% | 0.778 | S | S | * | * | trans | -24.5 | 134.3 | 166.1 | -107 | 63.9 | 0 | 0 | 0 | 115.5 | ||||
| 120 | G | 44 | Very low | 45.8 | Very low | 74 Ų | 74 | 139.5 Ų | 139.5 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | trans | 144.4 | 102.5 | 148.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 121 | A | 44.8 | Very low | 45.9 | Very low | 89 Ų | 89 | 140.8 Ų | 140.8 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | trans | 159.5 | 83.7 | 132.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | F123 | A121-F123 PolarHBondContact O-N 2.93Š| ||
| 122 | H | 50.3 | Low | 46.1 | Very low | 184 Ų | 184 | 141 Ų | 141 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | trans | -67.9 | 107.8 | 160.8 | -57.9 | -87.3 | 0 | 0 | 0 | 108.1 | ||||
| 123 | F | 45.7 | Very low | 46 | Very low | 198 Ų | 198 | 139 Ų | 139 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | trans | -147.2 | 79.9 | 160.2 | -89.3 | -78 | 0 | 0 | 0 | 109.7 | A121 | A121-F123 PolarHBondContact O-N 2.93Š| ||
| 124 | I | 49.2 | Very low | 45.8 | Very low | 142 Ų | 142 | 138.5 Ų | 138.5 | 73% | 0.728 | 79% | 0.791 | S | S | * | * | trans | -123.7 | 100.3 | 149.1 | -58.1 | -178.4 | 0 | 0 | 0 | 105.2 | R126 | I124-R126 HydrophobicContact CG2-CB 4.13Å; I124-R126 HydrophobicContact CG2-CG 4.49Å; I124-R126 PolarHBondContact O-N 3.08Å; I124-R126 VanDerWaalsContact O-N 3.17Å | ||
| 125 | A | 54.7 | Low | 45.6 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -61.7 | 109.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 126 | R | 44.6 | Very low | 45.7 | Very low | 224 Ų | 224 | 138 Ų | 138 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | -130.5 | 115 | 172 | -138.5 | 170.9 | 165.2 | 126.8 | -3.6 | 109.1 | I124 | I124-R126 HydrophobicContact CG2-CB 4.13Å; I124-R126 HydrophobicContact CG2-CG 4.49Å; I124-R126 PolarHBondContact O-N 3.08Å; I124-R126 VanDerWaalsContact O-N 3.17Å | ||
| 127 | D | 42.2 | Very low | 46.1 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | -50.3 | 142.6 | 173.8 | -157.9 | -97.7 | 0 | 0 | 0 | 111.3 | ||||
| 128 | P | 53.3 | Low | 46.3 | Very low | 97 Ų | 97 | 137.5 Ų | 137.5 | 63% | 0.63 | 80% | 0.801 | S | S | * | * | trans | -90.7 | 115 | -173 | 33.4 | -25.1 | 0 | 0 | 0 | 109.3 | ||||
| 129 | Y | 39.1 | Very low | 46.2 | Very low | 222 Ų | 222 | 137.8 Ų | 137.8 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | trans | -168.4 | 125.9 | 141.2 | -98.8 | -70.7 | 0 | 0 | 0 | 109.4 | ||||
| 130 | D | 48.7 | Very low | 45.8 | Very low | 140 Ų | 140 | 134 Ų | 134 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | 7.4 | 126.2 | 150.3 | -108 | -64.7 | 0 | 0 | 0 | 117.2 | ||||
| 131 | L | 46.9 | Very low | 46.2 | Very low | 146 Ų | 146 | 136.6 Ų | 136.6 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | 178.1 | 126.7 | 122 | -112 | 84.9 | 0 | 0 | 0 | 110.3 | |||||
| 132 | T | 41.8 | Very low | 46.1 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | 64.1 | 121.9 | 140.5 | 62.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 133 | G | 42.3 | Very low | 46 | Very low | 75 Ų | 75 | 133.4 Ų | 133.4 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | 125.4 | 86.6 | 138.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 134 | A | 42.8 | Very low | 45.8 | Very low | 104 Ų | 104 | 136.6 Ų | 136.6 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | 45.3 | 138.1 | 129.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 135 | A | 41.3 | Very low | 45.7 | Very low | 91 Ų | 91 | 134.8 Ų | 134.8 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | 86 | 72.6 | 156.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | I137 | A135-I137 PolarHBondContact O-N 3.26Š| ||
| 136 | L | 45.8 | Very low | 45.2 | Very low | 175 Ų | 175 | 135.4 Ų | 135.4 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | trans | -82.4 | 104 | 152.6 | -64.7 | 178.7 | 0 | 0 | 0 | 108.7 | P138 | L136-P138 VanDerWaalsContact O-CD 3.32Å; L136-P138 WeakPolarHBondContact O-CD 3.47Å | ||
| 137 | I | 51.8 | Low | 45.3 | Very low | 155 Ų | 155 | 135.8 Ų | 135.8 | 80% | 0.795 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 116.4 | 157.2 | -60.1 | -175 | 0 | 0 | 0 | 106.5 | A135 A139 | A135-I137 PolarHBondContact O-N 3.26Å; I137-A139 PolarHBondContact O-N 3.35Å |
| 138 | P | 45.9 | Very low | 45.9 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 118.6 | 168.6 | 27.9 | -29.4 | 0 | 0 | 0 | 109.7 | L136 S140 | L136-P138 VanDerWaalsContact O-CD 3.32Å; L136-P138 WeakPolarHBondContact O-CD 3.47Å; P138-S140 PolarHBondContact O-N 2.82Å |
| 139 | A | 41.8 | Very low | 45.7 | Very low | 102 Ų | 102 | 136.2 Ų | 136.2 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -61 | 125.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | I137 | I137-A139 PolarHBondContact O-N 3.35Š|
| 140 | S | 44.2 | Very low | 46 | Very low | 101 Ų | 101 | 136 Ų | 136 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | -129.9 | 121 | 166.6 | -176.5 | 0 | 0 | 0 | 0 | 108.3 | P138 | P138-S140 PolarHBondContact O-N 2.82Š| ||
| 141 | P | 52.2 | Low | 45.7 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | -101.1 | 91.2 | 169.7 | 33.9 | -22 | 0 | 0 | 0 | 108.3 | ||||
| 142 | D | 44.5 | Very low | 45.3 | Very low | 141 Ų | 141 | 133 Ų | 133 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | trans | -126.3 | 131.8 | 172.4 | -133.7 | -61.7 | 0 | 0 | 0 | 111.6 | ||||
| 143 | A | 47.7 | Very low | 45.3 | Very low | 65 Ų | 65 | 136.5 Ų | 136.5 | 54% | 0.537 | 78% | 0.783 | S | S | . | * | trans | 50.9 | 90.4 | 156.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | T145 | A143-T145 HydrophobicContact CB-CG2 3.99Å; A143-T145 PolarHBondContact O-N 2.88Å | ||
| 144 | W | 41.2 | Very low | 45.3 | Very low | 265 Ų | 265 | 139.7 Ų | 139.7 | 100% | 1.004 | 78% | 0.781 | S | S | * | * | trans | -64.7 | 87.8 | 141.7 | -74.2 | 75 | 0 | 0 | 0 | 108.2 | ||||
| 145 | T | 46.2 | Very low | 45.1 | Very low | 104 Ų | 104 | 140.6 Ų | 140.6 | 64% | 0.638 | 78% | 0.776 | S | S | * | * | trans | -76.2 | 127.1 | 165.2 | 54.1 | 0 | 0 | 0 | 0 | 109 | A143 Y147 | A143-T145 HydrophobicContact CB-CG2 3.99Å; A143-T145 PolarHBondContact O-N 2.88Å; T145-Y147 PolarHBondContact O-N 2.93Å | ||
| 146 | P | 45.4 | Very low | 45.4 | Very low | 117 Ų | 117 | 142 Ų | 142 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -65.2 | 130.9 | 167.7 | 25.4 | -29.8 | 0 | 0 | 0 | 109.3 | P148 | P146-P148 VanDerWaalsContact O-CD 3.28Å; P146-P148 WeakPolarHBondContact O-CD 3.43Å; P146-P148 VanDerWaalsContact O-N 3.14Å | ||
| 147 | Y | 45.7 | Very low | 44.9 | Very low | 232 Ų | 232 | 137 Ų | 137 | 91% | 0.91 | 77% | 0.768 | S | S | * | * | trans | -48.1 | 115.7 | -179 | -71 | -85.6 | 0 | 0 | 0 | 111.8 | T145 | T145-Y147 PolarHBondContact O-N 2.93Š| ||
| 148 | P | 54.8 | Low | 44.4 | Very low | 86 Ų | 86 | 136 Ų | 136 | 56% | 0.558 | 76% | 0.764 | S | S | * | * | trans | -74.2 | 133.3 | 169.7 | 28.8 | -30.5 | 0 | 0 | 0 | 109.9 | P146 Y150 | P146-P148 VanDerWaalsContact O-CD 3.28Å; P146-P148 WeakPolarHBondContact O-CD 3.43Å; P146-P148 VanDerWaalsContact O-N 3.14Å; P148-Y150 HydrophobicContact CG-CE2 4.11Å; P148-Y150 PolarHBondContact O-N 3.29Å | ||
| 149 | L | 49.7 | Very low | 44.3 | Very low | 167 Ų | 167 | 136.5 Ų | 136.5 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | -54.8 | 116.3 | 168.3 | -63.6 | 168.7 | 0 | 0 | 0 | 109.4 | ||||
| 150 | Y | 44.7 | Very low | 44.2 | Very low | 217 Ų | 217 | 139.3 Ų | 139.3 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | trans | -91.8 | 105.7 | 166.1 | -85.2 | -85 | 0 | 0 | 0 | 109.9 | P148 | P148-Y150 HydrophobicContact CG-CE2 4.11Å; P148-Y150 PolarHBondContact O-N 3.29Å | ||
| 151 | T | 42.2 | Very low | 44 | Very low | 113 Ų | 113 | 139 Ų | 139 | 69% | 0.693 | 77% | 0.766 | S | S | * | * | trans | -82.9 | 149.2 | 159.3 | 54.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 152 | T | 39.8 | Very low | 43.5 | Very low | 112 Ų | 112 | 137 Ų | 137 | 69% | 0.687 | 76% | 0.76 | S | S | * | * | trans | 82.5 | 93.3 | 155.1 | -46.4 | 0 | 0 | 0 | 0 | 117.4 | L154 | T152-L154 HydrophobicContact CG2-CD1 4.19Å; T152-L154 HydrophobicContact CG2-CG 4.21Å | ||
| 153 | E | 41.4 | Very low | 43.5 | Very low | 200 Ų | 200 | 140.5 Ų | 140.5 | 94% | 0.935 | 77% | 0.769 | S | S | * | * | trans | -91.3 | 126 | 153.7 | -80.3 | -89.6 | 110.3 | 0 | 0 | 109 | ||||
| 154 | L | 43.3 | Very low | 43 | Very low | 141 Ų | 141 | 142.2 Ų | 142.2 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | trans | -116.3 | 106.7 | 175.6 | -100.5 | 162.8 | 0 | 0 | 0 | 109.3 | T152 | T152-L154 HydrophobicContact CG2-CD1 4.19Å; T152-L154 HydrophobicContact CG2-CG 4.21Å | ||
| 155 | T | 38.5 | Very low | 43.2 | Very low | 123 Ų | 123 | 139.7 Ų | 139.7 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | 59.9 | 160.3 | 145.3 | -9.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 156 | P | 47.1 | Very low | 43.4 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | cis | -140 | 169.9 | 10.5 | 41.6 | -21.9 | 0 | 0 | 0 | 117.8 | ||||
| 157 | G | 33.9 | Very low | 43 | Very low | 69 Ų | 69 | 139 Ų | 139 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | 109.9 | 111.9 | 142.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 158 | L | 42.1 | Very low | 42.9 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 71% | 0.707 | 76% | 0.763 | S | S | * | * | trans | -47.7 | 156.6 | 173.9 | -77.1 | 78.7 | 0 | 0 | 0 | 114.5 | H160 | L158-H160 WeakPolarHBondContact CD2-CE1 3.11Å; L158-H160 WeakPolarHBondContact CD2-NE2 3.15Å | ||
| 159 | P | 45 | Very low | 42.4 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | -129 | 147.6 | 101.6 | 35.4 | -29.2 | 0 | 0 | 0 | 115 | |||||
| 160 | H | 38.7 | Very low | 41.9 | Very low | 161 Ų | 161 | 129.9 Ų | 129.9 | 75% | 0.745 | 77% | 0.774 | S | S | * | * | trans | -65.8 | 136.8 | 171.3 | -56.1 | 81.1 | 0 | 0 | 0 | 110.9 | L158 | L158-H160 WeakPolarHBondContact CD2-CE1 3.11Å; L158-H160 WeakPolarHBondContact CD2-NE2 3.15Å | ||
| 161 | A | 38.9 | Very low | 41.8 | Very low | 94 Ų | 94 | 124.1 Ų | 124.1 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | 156.3 | 122.7 | 118.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 162 | A | 43.7 | Very low | 41.8 | Very low | 87 Ų | 87 | 123.9 Ų | 123.9 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | trans | 41.8 | 107.2 | 143.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 163 | F | 43.9 | Very low | 41.9 | Very low | 214 Ų | 214 | 122.6 Ų | 122.6 | 94% | 0.939 | 78% | 0.782 | S | S | * | * | -150.3 | 146.3 | 114.2 | -104.2 | -78 | 0 | 0 | 0 | 110.5 | |||||
| 164 | T | 37.4 | Very low | 42.2 | Very low | 102 Ų | 102 | 118 Ų | 118 | 63% | 0.626 | 78% | 0.779 | S | S | * | * | trans | -70.3 | 139.9 | -164.6 | 21.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 165 | Y | 45.7 | Very low | 42.6 | Very low | 211 Ų | 211 | 119.2 Ų | 119.2 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | trans | 58.8 | 166.9 | 145.1 | -65.6 | -69.2 | 0 | 0 | 0 | 119.7 | ||||
| 166 | P | 49.1 | Very low | 43.3 | Very low | 107 Ų | 107 | 121.6 Ų | 121.6 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | -129.3 | 176.3 | -72.9 | 35.5 | -17.2 | 0 | 0 | 0 | 112.3 | |||||
| 167 | A | 36.8 | Very low | 43.2 | Very low | 99 Ų | 99 | 120.2 Ų | 120.2 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | 63 | 141.5 | 147.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 168 | A | 44.8 | Very low | 44.1 | Very low | 92 Ų | 92 | 125 Ų | 125 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | cis | -158.3 | 143.3 | -3.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 169 | A | 43.2 | Very low | 44.1 | Very low | 107 Ų | 107 | 126.5 Ų | 126.5 | 88% | 0.884 | 80% | 0.795 | S | S | * | * | trans | -60.8 | 130.5 | 157.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 170 | A | 40.5 | Very low | 44.3 | Very low | 95 Ų | 95 | 129.4 Ų | 129.4 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -174.1 | 101.9 | 145.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 171 | A | 41.3 | Very low | 44.8 | Very low | 97 Ų | 97 | 133 Ų | 133 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | 91.1 | 114.7 | 89.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 172 | A | 42.5 | Very low | 45.4 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 88% | 0.884 | 79% | 0.793 | S | S | * | * | trans | -56.6 | 135 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 173 | A | 42.3 | Very low | 45.9 | Very low | 85 Ų | 85 | 138.4 Ų | 138.4 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | trans | -156.1 | 92.9 | 150.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | L175 | A173-L175 PolarHBondContact O-N 2.86Å; A173-L175 VanDerWaalsContact O-N 3.1Å | ||
| 174 | A | 47.3 | Very low | 46.5 | Very low | 105 Ų | 105 | 134 Ų | 134 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | trans | -68.3 | 99.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108 | H176 | A174-H176 PolarHBondContact O-N 2.83Š| ||
| 175 | L | 52.7 | Low | 47.2 | Very low | 165 Ų | 165 | 135.1 Ų | 135.1 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -79.3 | 110 | 167.5 | -93.7 | 154.4 | 0 | 0 | 0 | 108.4 | A173 A177 | A173-L175 PolarHBondContact O-N 2.86Å; A173-L175 VanDerWaalsContact O-N 3.1Å; L175-A177 PolarHBondContact O-N 2.93Å; L175-A177 VanDerWaalsContact O-N 3.13Å | ||
| 176 | H | 51.6 | Low | 47.2 | Very low | 173 Ų | 173 | 130.4 Ų | 130.4 | 80% | 0.801 | 79% | 0.793 | S | S | * | * | trans | -48 | 113.8 | 163.8 | -106 | -131.9 | 0 | 0 | 0 | 109.7 | A174 Q178 | A174-H176 PolarHBondContact O-N 2.83Å; H176-Q178 VanDerWaalsContact C-N 3.33Å; H176-Q178 PolarHBondContact O-N 3.15Å | ||
| 177 | A | 46.2 | Very low | 46.6 | Very low | 93 Ų | 93 | 134.6 Ų | 134.6 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -64.4 | 94.6 | 165 | 0 | 0 | 0 | 0 | 0 | 108.7 | L175 M179 | L175-A177 PolarHBondContact O-N 2.93Å; L175-A177 VanDerWaalsContact O-N 3.13Å; A177-M179 PolarHBondContact O-N 2.98Å; A177-M179 VanDerWaalsContact O-N 3.11Å | ||
| 178 | Q | 51.8 | Low | 47.1 | Very low | 171 Ų | 171 | 135.5 Ų | 135.5 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | trans | -74.3 | 92.9 | 163.3 | -78.2 | 176.9 | -33.1 | 0 | 0 | 107.9 | H176 R180 | H176-Q178 VanDerWaalsContact C-N 3.33Å; H176-Q178 PolarHBondContact O-N 3.15Å; Q178-R180 PolarHBondContact O-N 2.72Å | ||
| 179 | M | 42.5 | Very low | 46.8 | Very low | 166 Ų | 166 | 136 Ų | 136 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -68.9 | 85.9 | 161.1 | -69.4 | -69.3 | -94.5 | 0 | 0 | 107.6 | A177 W181 | A177-M179 PolarHBondContact O-N 2.98Å; A177-M179 VanDerWaalsContact O-N 3.11Å; M179-W181 PolarHBondContact O-N 3.29Å; M179-W181 VanDerWaalsContact O-N 3.08Å | ||
| 180 | R | 48.6 | Very low | 46.9 | Very low | 187 Ų | 187 | 139 Ų | 139 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -73.6 | 94.8 | 174 | -171 | 154.1 | 178.5 | 148.2 | -3.6 | 108 | Q178 Y182 | Q178-R180 PolarHBondContact O-N 2.72Å; R180-Y182 HydrophobicContact CB-CE2 4.39Å; R180-Y182 HydrophobicContact CG-CD2 4.5Å; R180-Y182 HydrophobicContact CG-CE2 3.99Å; R180-Y182 WeakPolarHBondContact O-CD2 2.81Å; R180-Y182 PolarHBondContact O-N 3.37Å | ||
| 181 | W | 49.7 | Very low | 47.1 | Very low | 237 Ų | 237 | 139.2 Ų | 139.2 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 116.1 | 168.3 | -80.1 | 94.9 | 0 | 0 | 0 | 109.4 | M179 | M179-W181 PolarHBondContact O-N 3.29Å; M179-W181 VanDerWaalsContact O-N 3.08Å |
| 182 | Y | 52.5 | Low | 46.9 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 69% | 0.686 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 123.2 | 163 | -73.4 | -85.5 | 0 | 0 | 0 | 107.7 | R180 T184 | R180-Y182 HydrophobicContact CB-CE2 4.39Å; R180-Y182 HydrophobicContact CG-CD2 4.5Å; R180-Y182 HydrophobicContact CG-CE2 3.99Å; R180-Y182 WeakPolarHBondContact O-CD2 2.81Å; R180-Y182 PolarHBondContact O-N 3.37Å; Y182-T184 PolarHBondContact O-N 3.41Å |
| 183 | P | 52.9 | Low | 47.1 | Very low | 118 Ų | 118 | 144.8 Ų | 144.8 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 125.4 | 165.9 | 27.6 | -28.9 | 0 | 0 | 0 | 108 | ||
| 184 | T | 57.6 | Low | 47.3 | Very low | 121 Ų | 121 | 150.5 Ų | 150.5 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 128.7 | 167.5 | 41.3 | 0 | 0 | 0 | 0 | 109 | Y182 S186 | Y182-T184 PolarHBondContact O-N 3.41Å; T184-S186 PolarHBondContact O-N 3.49Å; T184-S186 VanDerWaalsContact O-N 3.15Å |
| 185 | P | 52.8 | Low | 47.3 | Very low | 126 Ų | 126 | 150.8 Ų | 150.8 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -71.4 | 110.9 | 170.9 | 28 | -29.2 | 0 | 0 | 0 | 108.3 | E187 | P185-E187 PolarHBondContact O-N 3.43Å; P185-E187 VanDerWaalsContact O-N 3.14Å | ||
| 186 | S | 43.8 | Very low | 47.1 | Very low | 113 Ų | 113 | 153.8 Ų | 153.8 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | -68.7 | 103.7 | 166.8 | -52.4 | 0 | 0 | 0 | 0 | 108.1 | T184 | T184-S186 PolarHBondContact O-N 3.49Å; T184-S186 VanDerWaalsContact O-N 3.15Å | ||
| 187 | E | 38.3 | Very low | 47.2 | Very low | 194 Ų | 194 | 154.7 Ų | 154.7 | 91% | 0.907 | 80% | 0.795 | S | S | * | * | trans | -72.2 | 144.2 | 168.3 | -153.1 | 179 | 112.4 | 0 | 0 | 110.3 | P185 | P185-E187 PolarHBondContact O-N 3.43Å; P185-E187 VanDerWaalsContact O-N 3.14Å | ||
| 188 | T | 45.6 | Very low | 46.7 | Very low | 119 Ų | 119 | 159.2 Ų | 159.2 | 73% | 0.73 | 80% | 0.798 | S | S | * | * | trans | -77.4 | 164 | -163.8 | -60.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 189 | S | 38.8 | Very low | 46.6 | Very low | 102 Ų | 102 | 160.7 Ų | 160.7 | 71% | 0.713 | 83% | 0.825 | S | S | * | * | trans | 110.3 | 123.5 | 153.8 | -51.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 190 | Q | 45.4 | Very low | 46.8 | Very low | 169 Ų | 169 | 160.5 Ų | 160.5 | 79% | 0.79 | 83% | 0.826 | S | S | * | * | cis | -165.2 | 159.9 | 14.8 | -89.7 | -97.4 | -26.3 | 0 | 0 | 109 | ||||
| 191 | P | 45 | Very low | 46.7 | Very low | 100 Ų | 100 | 159.1 Ų | 159.1 | 65% | 0.649 | 83% | 0.832 | S | S | * | * | trans | -83.2 | 114.2 | 174.5 | 32.2 | -30.2 | 0 | 0 | 0 | 111.8 | ||||
| 192 | G | 36.8 | Very low | 46.6 | Very low | 74 Ų | 74 | 154.7 Ų | 154.7 | 76% | 0.763 | 83% | 0.828 | S | S | * | * | trans | -95.4 | 89.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K194 | G192-K194 PolarHBondContact O-N 3.29Š| ||
| 193 | W | 46.8 | Very low | 46.2 | Very low | 248 Ų | 248 | 153.5 Ų | 153.5 | 94% | 0.939 | 84% | 0.837 | S | S | * | * | trans | -63.8 | 119 | 159.1 | -68.7 | -49.7 | 0 | 0 | 0 | 109.2 | ||||
| 194 | K | 47.4 | Very low | 45.8 | Very low | 205 Ų | 205 | 155.8 Ų | 155.8 | 89% | 0.891 | 84% | 0.841 | S | S | * | * | trans | -135.2 | 117.7 | 162 | -68.5 | -168.9 | 172.4 | -165.4 | 0 | 111.1 | G192 | G192-K194 PolarHBondContact O-N 3.29Š| ||
| 195 | S | 46.7 | Very low | 45 | Very low | 111 Ų | 111 | 158.1 Ų | 158.1 | 78% | 0.776 | 85% | 0.848 | S | S | * | * | trans | -51.9 | 148 | -178.6 | -80 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 196 | R | 48.1 | Very low | 44.5 | Very low | 227 Ų | 227 | 160.4 Ų | 160.4 | 86% | 0.857 | 85% | 0.85 | S | S | * | * | trans | -58.4 | 130.4 | 152.4 | -60.7 | 173 | -175.3 | -83.5 | -1.6 | 108.3 | ||||
| 197 | Q | 54.4 | Low | 44.5 | Very low | 192 Ų | 192 | 164 Ų | 164 | 90% | 0.897 | 86% | 0.855 | S | S | * | * | trans | -116 | 115.4 | 161.6 | -82.3 | 174.3 | -28.2 | 0 | 0 | 107.5 | ||||
| 198 | F | 35.8 | Very low | 45 | Very low | 188 Ų | 188 | 161.5 Ų | 161.5 | 83% | 0.825 | 85% | 0.85 | S | S | * | * | trans | -88.7 | 140.6 | 158.2 | -89.6 | -91.3 | 0 | 0 | 0 | 107.5 | ||||
| 199 | C | 49.6 | Very low | 45 | Very low | 203 Ų | 203 | 165.4 Ų | 165.4 | 100% | 1.372 | 86% | 0.861 | S | S | * | * | trans | 68.7 | 0 | 171.7 | -58.9 | 0 | 0 | 0 | 0 | 117.3 |
Retrieved 199 of 199 residues in 120.9 ms
(Link to these results)