| 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 | 50.6 | Low | 56.5 | Low | 238 Ų | 238 | 170.5 Ų | 170.5 | 100% | 1.172 | 83% | 0.832 | S | S | * | * | 0 | 111.3 | 0 | -59 | 139.7 | 93.7 | 0 | 0 | 104.7 | |||||
| 2 | S | 53.3 | Low | 56.4 | Low | 110 Ų | 110 | 168.8 Ų | 168.8 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | -154.3 | 145.9 | 53.2 | -62.7 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 3 | T | 64.2 | Low | 56.7 | Low | 101 Ų | 101 | 162.8 Ų | 162.8 | 62% | 0.62 | 82% | 0.822 | S | S | * | * | trans | -47.2 | 129.7 | 177.9 | 29.4 | 0 | 0 | 0 | 0 | 113.6 | Y5 | T3-Y5 WeakPolarHBondContact O-CD2 3.21Å; T3-Y5 WeakPolarHBondContact O-CE2 3.47Å; T3-Y5 PolarHBondContact O-N 2.96Å | ||
| 4 | V | 64.4 | Low | 56.9 | Low | 130 Ų | 130 | 157.6 Ų | 157.6 | 79% | 0.788 | 81% | 0.808 | S | S | * | * | trans | -60.6 | 102.2 | 166.5 | -96 | 0 | 0 | 0 | 0 | 109.6 | W6 | V4-W6 PolarHBondContact O-N 3.07Š| ||
| 5 | Y | 59.7 | Low | 57.1 | Low | 202 Ų | 202 | 153.5 Ų | 153.5 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | trans | -75.7 | 71.5 | 170.1 | -63.6 | -80 | 0 | 0 | 0 | 110 | T3 | T3-Y5 WeakPolarHBondContact O-CD2 3.21Å; T3-Y5 WeakPolarHBondContact O-CE2 3.47Å; T3-Y5 PolarHBondContact O-N 2.96Å | ||
| 6 | W | 58.2 | Low | 57.4 | Low | 223 Ų | 223 | 152.3 Ų | 152.3 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | trans | -115.1 | 37.8 | 175.6 | -88.8 | 91.6 | 0 | 0 | 0 | 111.9 | V4 | V4-W6 PolarHBondContact O-N 3.07Š| ||
| 7 | H | 55.6 | Low | 57.9 | Low | 164 Ų | 164 | 152.5 Ų | 152.5 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -153.8 | 32.3 | -179 | -120.5 | -77.2 | 0 | 0 | 0 | 117.1 | ||
| 8 | F | 56.2 | Low | 59.4 | Low | 205 Ų | 205 | 153.9 Ų | 153.9 | 90% | 0.899 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -144 | 16.4 | 179.1 | -110.3 | -80.8 | 0 | 0 | 0 | 118.4 | ||
| 9 | H | 53 | Low | 61.3 | Low | 193 Ų | 193 | 147.5 Ų | 147.5 | 89% | 0.894 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -133.2 | 131.3 | 172.8 | -109.4 | -159.4 | 0 | 0 | 0 | 112.4 | ||
| 10 | C | 52.7 | Low | 62.9 | Low | 107 Ų | 107 | 141.7 Ų | 141.7 | 72% | 0.723 | 74% | 0.739 | S | S | * | * | trans | 87.8 | 33.7 | 160.6 | -96.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 11 | F | 53.7 | Low | 64.4 | Low | 202 Ų | 202 | 140.1 Ų | 140.1 | 89% | 0.886 | 74% | 0.737 | S | S | * | * | trans | -88.9 | 24.6 | 146.3 | -69.6 | -72.9 | 0 | 0 | 0 | 112.2 | A13 | F11-A13 PolarHBondContact O-N 2.75Š| ||
| 12 | L | 55.8 | Low | 66.7 | Low | 151 Ų | 151 | 131.4 Ų | 131.4 | 79% | 0.791 | 70% | 0.696 | S | S | * | * | trans | -73 | 72.5 | 158.3 | -60.8 | 176.2 | 0 | 0 | 0 | 106.2 | S14 | L12-S14 PolarHBondContact O-N 2.86Š| ||
| 13 | A | 60.4 | Low | 68.8 | Low | 90 Ų | 90 | 128.6 Ų | 128.6 | 74% | 0.744 | 67% | 0.67 | S | S | * | * | trans | -57.8 | 94.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 104.7 | F11 A15 | F11-A13 PolarHBondContact O-N 2.75Å; A13-A15 PolarHBondContact O-N 2.92Å | ||
| 14 | S | 58.4 | Low | 70.3 | Confident | 91 Ų | 91 | 127.1 Ų | 127.1 | 64% | 0.636 | 66% | 0.661 | S | S | * | * | trans | -51 | 117.8 | 165.3 | 57.3 | 0 | 0 | 0 | 0 | 103.6 | L12 E16 | L12-S14 PolarHBondContact O-N 2.86Å; S14-E16 PolarHBondContact O-N 2.64Å | ||
| 15 | A | 60.4 | Low | 71.8 | Confident | 96 Ų | 96 | 125.5 Ų | 125.5 | 79% | 0.793 | 64% | 0.643 | S | S | * | * | trans | -65.2 | 67.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | A13 Q17 | A13-A15 PolarHBondContact O-N 2.92Å; A15-Q17 VanDerWaalsContact C-N 3.31Å; A15-Q17 PolarHBondContact O-N 3.36Å | ||
| 16 | E | 62.7 | Low | 73.6 | Confident | 134 Ų | 134 | 122.4 Ų | 122.4 | 63% | 0.626 | 63% | 0.63 | S | S | * | * | trans | -48.9 | 110.2 | 158.2 | -173.8 | 92.6 | 177.3 | 0 | 0 | 102 | S14 K18 | S14-E16 PolarHBondContact O-N 2.64Å; E16-K18 HydrophobicContact CB-CG 4.13Å; E16-K18 HydrophobicContact CG-CG 3.89Å; E16-K18 WeakPolarHBondContact O-CG 3.46Å; E16-K18 PolarHBondContact O-N 2.93Å | ||
| 17 | Q | 64.9 | Low | 75.4 | Confident | 156 Ų | 156 | 122.5 Ų | 122.5 | 73% | 0.729 | 63% | 0.631 | S | S | * | * | trans | -70.3 | 77.9 | -173.9 | -162.9 | 123.3 | 51.4 | 0 | 0 | 106.9 | A15 C19 | A15-Q17 VanDerWaalsContact C-N 3.31Å; A15-Q17 PolarHBondContact O-N 3.36Å; Q17-C19 PolarHBondContact O-N 2.65Å | ||
| 18 | K | 85.8 | Confident | 77.3 | Confident | 177 Ų | 177 | 117.4 Ų | 117.4 | 77% | 0.77 | 61% | 0.613 | S | S | * | * | trans | -77.4 | 117.7 | -175.9 | -72.3 | 179.8 | -175.7 | 179.7 | 0 | 106.3 | E16 | E16-K18 HydrophobicContact CB-CG 4.13Å; E16-K18 HydrophobicContact CG-CG 3.89Å; E16-K18 WeakPolarHBondContact O-CG 3.46Å; E16-K18 PolarHBondContact O-N 2.93Å | ||
| 19 | C | 94 | Very high | 79.2 | Confident | 32 Ų | 32 | 107.9 Ų | 107.9 | 22% | 0.216 | 57% | 0.572 | C | S | . | * | trans | -66 | 154.5 | 168.3 | -60.3 | 0 | 0 | 0 | 0 | 110.3 | Q17 E23 F25 C56 | Q17-C19 PolarHBondContact O-N 2.65Å; C19-E23 HydrophobicContact CB-CB 3.57Å; C19-F25 WeakPolarHBondContact SG-CA 3.14Å; C19-F25 VanDerWaalsContact SG-CB 3.52Å; C19-F25 PolarHBondContact SG-N 3.24Å; C19-C56 WeakPolarHBondContact CA-SG 3.42Å; C19-C56 HydrophobicContact CB-CB 3.63Å; C19-C56 WeakPolarHBondContact CB-SG 3.38Å; C19-C56 VanDerWaalsContact SG-CA 3.56Å; C19-C56 WeakPolarHBondContact SG-CB 3.18Å; C19-C56 CovalentContact SG-SG 2.03Å; C19-C56 PolarHBondContact SG-SG 2.95Å | ||
| 20 | G | 93.4 | Very high | 81.3 | Confident | 31 Ų | 31 | 101.7 Ų | 101.7 | 32% | 0.32 | 55% | 0.55 | S | S | . | * | trans | -67.9 | 179.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D22 E23 | G20-D22 PolarHBondContact O-N 2.76Å; G20-E23 PolarHBondContact N-OE2 3.43Å; G20-E23 WeakPolarHBondContact O-CB 3.37Å; G20-E23 PolarHBondContact O-N 3.47Å | ||
| 21 | P | 95.7 | Very high | 83.3 | Confident | 109 Ų | 109 | 98.2 Ų | 98.2 | 71% | 0.708 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 135.3 | 169.9 | -23.8 | 34.3 | 0 | 0 | 0 | 111 | E23 | P21-E23 PolarHBondContact O-N 2.99Å; P21-E23 VanDerWaalsContact O-N 3.13Å |
| 22 | D | 97.5 | Very high | 85.3 | Confident | 56 Ų | 56 | 90 Ų | 90 | 30% | 0.299 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 20.8 | 178.7 | -57.3 | -49.7 | 0 | 0 | 0 | 116.6 | G20 C58 K59 F62 C70 | G20-D22 PolarHBondContact O-N 2.76Å; D22-C58 WeakPolarHBondContact O-CA 3.31Å; D22-K59 HydrophobicContact CB-CD 4.19Å; D22-K59 WeakPolarHBondContact O-CG 3.47Å; D22-K59 PolarHBondContact O-N 3.26Å; D22-K59 IonicContact OD1-NZ 2.76Å; D22-K59 PolarHBondContact OD1-NZ 2.06Å; D22-F62 HydrophobicContact CB-CD1 3.73Å; D22-F62 HydrophobicContact CB-CE1 3.63Å; D22-F62 HydrophobicContact CB-CG 4.45Å; D22-F62 HydrophobicContact CB-CZ 4.27Å; D22-C70 HydrophobicContact CB-CB 4.11Å |
| 23 | E | 98 | Very high | 87.2 | Confident | 50 Ų | 50 | 85.2 Ų | 85.2 | 23% | 0.234 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 154.2 | 169.7 | -67.5 | -176.4 | 148.9 | 0 | 0 | 111.8 | C19 G20 P21 C56 F57 C70 | C19-E23 HydrophobicContact CB-CB 3.57Å; G20-E23 PolarHBondContact N-OE2 3.43Å; G20-E23 WeakPolarHBondContact O-CB 3.37Å; G20-E23 PolarHBondContact O-N 3.47Å; P21-E23 PolarHBondContact O-N 2.99Å; P21-E23 VanDerWaalsContact O-N 3.13Å; E23-C56 HydrophobicContact CB-CB 4.2Å; E23-C56 WeakPolarHBondContact OE2-CB 3.06Å; E23-F57 CarbonylContact C-O 3.6Å; E23-F57 VanDerWaalsContact CA-O 3.23Å; E23-F57 WeakPolarHBondContact CA-O 3.39Å; E23-C70 HydrophobicContact CG-CB 4.47Å; E23-C70 WeakPolarHBondContact CG-SG 3.42Å |
| 24 | V | 96.8 | Very high | 89 | Confident | 70 Ų | 70 | 85 Ų | 85 | 42% | 0.424 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 129.7 | 175.8 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | R26 F57 K59 | V24-R26 HydrophobicContact CG1-CG 4.47Å; V24-R26 PolarHBondContact O-N 3.01Å; V24-F57 PolarHBondContact N-O 3.35Å; V24-F57 PolarHBondContact O-N 2.85Å; V24-K59 HydrophobicContact CG2-CG 3.64Å |
| 25 | F | 96 | Very high | 90.8 | Very high | 97 Ų | 97 | 82 Ų | 82 | 43% | 0.425 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 129.3 | 173.8 | -173.4 | -97.2 | 0 | 0 | 0 | 109.6 | C19 R27 G55 | C19-F25 WeakPolarHBondContact SG-CA 3.14Å; C19-F25 VanDerWaalsContact SG-CB 3.52Å; C19-F25 PolarHBondContact SG-N 3.24Å; F25-R27 HydrophobicContact CE1-CG 4.14Å; F25-G55 CarbonylContact C-O 3.4Å; F25-G55 WeakPolarHBondContact CA-O 3.47Å |
| 26 | R | 96 | Very high | 92.6 | Very high | 137 Ų | 137 | 78 Ų | 78 | 52% | 0.517 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 135.6 | 174 | -56.5 | 177.2 | 67.1 | -174.3 | 0.5 | 108.9 | V24 C28 A54 G55 F57 | V24-R26 HydrophobicContact CG1-CG 4.47Å; V24-R26 PolarHBondContact O-N 3.01Å; R26-C28 PolarHBondContact O-N 2.87Å; R26-A54 WeakPolarHBondContact O-CA 3.16Å; R26-G55 PolarHBondContact N-O 3.38Å; R26-G55 PolarHBondContact O-N 3.09Å; R26-F57 HydrophobicContact CB-CD2 3.73Å; R26-F57 HydrophobicContact CB-CE2 3.93Å; R26-F57 HydrophobicContact CG-CD2 3.99Å |
| 27 | R | 96.2 | Very high | 94.3 | Very high | 225 Ų | 225 | 75 Ų | 75 | 85% | 0.849 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.6 | -26.9 | 172 | -66.2 | -175.6 | -178.5 | -174.2 | 0.4 | 112.6 | F25 A54 | F25-R27 HydrophobicContact CE1-CG 4.14Å; R27-A54 WeakPolarHBondContact O-CA 3.01Å; R27-A54 WeakPolarHBondContact O-CB 3.24Å |
| 28 | C | 96.5 | Very high | 95.8 | Very high | 57 Ų | 57 | 68.6 Ų | 68.6 | 39% | 0.385 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 112.5 | 170 | 168.8 | 0 | 0 | 0 | 0 | 109.2 | R26 C52 | R26-C28 PolarHBondContact O-N 2.87Å; C28-C52 HydrophobicContact CB-CB 3.55Å; C28-C52 WeakPolarHBondContact CB-SG 3.44Å; C28-C52 WeakPolarHBondContact SG-CB 3.37Å; C28-C52 CovalentContact SG-SG 2.03Å; C28-C52 PolarHBondContact SG-SG 2.86Å |
| 29 | G | 95.8 | Very high | 96.3 | Very high | 5 Ų | 5 | 62.7 Ų | 62.7 | 5% | 0.052 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 176.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V53 F57 | G29-V53 PolarHBondContact N-O 3.42Å; G29-V53 PolarHBondContact O-N 3.47Å; G29-F57 VanDerWaalsContact CA-CZ 3.47Å |
| 30 | S | 95.9 | Very high | 96.5 | Very high | 62 Ų | 62 | 67.6 Ų | 67.6 | 43% | 0.434 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 135.4 | -179.4 | 178.6 | 0 | 0 | 0 | 0 | 111.3 | C32 F57 | S30-C32 PolarHBondContact O-N 2.03Å; S30-C32 VanDerWaalsContact OG-C 3.3Å; S30-C32 PolarHBondContact OG-N 2.78Å; S30-C32 PolarHBondContact OG-O 2.82Å; S30-F57 WeakPolarHBondContact O-CE1 3.47Å |
| 31 | A | 95.9 | Very high | 96.7 | Very high | 35 Ų | 35 | 69.9 Ų | 69.9 | 29% | 0.289 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -63 | -17.5 | 168 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q51 V53 | A31-Q51 HydrophobicContact CB-CG 3.92Å; A31-V53 HydrophobicContact CB-CG2 3.8Å |
| 32 | C | 95.9 | Very high | 96.6 | Very high | 30 Ų | 30 | 69.6 Ų | 69.6 | 20% | 0.203 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -117.2 | 91.4 | 173.9 | -75.7 | 0 | 0 | 0 | 0 | 109.8 | S30 K46 C48 | S30-C32 PolarHBondContact O-N 2.03Å; S30-C32 VanDerWaalsContact OG-C 3.3Å; S30-C32 PolarHBondContact OG-N 2.78Å; S30-C32 PolarHBondContact OG-O 2.82Å; C32-K46 HydrophobicContact CB-CD 4.24Å; C32-C48 HydrophobicContact CB-CB 3.71Å; C32-C48 WeakPolarHBondContact CB-SG 2.99Å; C32-C48 VanDerWaalsContact SG-CA 3.52Å; C32-C48 WeakPolarHBondContact SG-CB 3.12Å; C32-C48 CovalentContact SG-SG 2.02Å; C32-C48 PolarHBondContact SG-SG 2.78Å |
| 33 | P | 95.4 | Very high | 96.5 | Very high | 49 Ų | 49 | 74.6 Ų | 74.6 | 32% | 0.318 | 39% | 0.39 | S | S | . | . | trans | -62 | 152.3 | 173.1 | 26.7 | -34 | 0 | 0 | 0 | 110.8 | K46 L64 | P33-K46 PolarHBondContact O-NZ 3.13Å; P33-L64 HydrophobicContact CB-CD1 3.82Å; P33-L64 HydrophobicContact CG-CD1 3.7Å | ||
| 34 | L | 96.9 | Very high | 96.2 | Very high | 86 Ų | 86 | 78.8 Ų | 78.8 | 45% | 0.45 | 40% | 0.404 | S | S | . | . | trans | -67.5 | 130 | 172.9 | -175.4 | 69.2 | 0 | 0 | 0 | 109.3 | D38 V39 A63 L64 T73 | L34-D38 HydrophobicContact CD1-CB 3.85Å; L34-V39 HydrophobicContact CD1-CG2 4.35Å; L34-V39 HydrophobicContact CD2-CG2 4.26Å; L34-V39 HydrophobicContact CG-CG2 4.25Å; L34-A63 HydrophobicContact CB-CB 4.46Å; L34-A63 HydrophobicContact CD2-CB 4.05Å; L34-A63 HydrophobicContact CG-CB 3.9Å; L34-A63 WeakPolarHBondContact O-CA 3.48Å; L34-L64 PolarHBondContact O-N 3.22Å; L34-T73 HydrophobicContact CD2-CG2 4.11Å | ||
| 35 | T | 97.8 | Very high | 95.8 | Very high | 27 Ų | 27 | 82.5 Ų | 82.5 | 17% | 0.166 | 42% | 0.421 | C | S | . | . | B | Isolated β-bridge | trans | -117.6 | 158.7 | 177.6 | 69.3 | 0 | 0 | 0 | 0 | 110.5 | D37 D38 V39 L64 | T35-D37 PolarHBondContact O-N 2.03Å; T35-D38 WeakPolarHBondContact CA-OD2 3Å; T35-D38 WeakPolarHBondContact CB-OD2 3.26Å; T35-D38 PolarHBondContact N-OD2 3.38Å; T35-D38 WeakPolarHBondContact O-CB 3.5Å; T35-D38 PolarHBondContact O-N 3.28Å; T35-D38 PolarHBondContact OG1-N 2.91Å; T35-D38 PolarHBondContact OG1-OD2 3.46Å; T35-V39 PolarHBondContact O-N 2.89Å; T35-V39 VanDerWaalsContact O-N 3.11Å; T35-L64 CarbonylContact C-O 3.57Å; T35-L64 VanDerWaalsContact CA-O 3.31Å; T35-L64 WeakPolarHBondContact CA-O 3.44Å; T35-L64 HydrophobicContact CG2-CB 4.33Å |
| 36 | C | 98.3 | Very high | 95.7 | Very high | 14 Ų | 14 | 81.1 Ų | 81.1 | 10% | 0.095 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.7 | -24.7 | 175 | -74.8 | 0 | 0 | 0 | 0 | 113.1 | V39 K40 L64 C76 | C36-V39 PolarHBondContact O-N 2.97Å; C36-K40 WeakPolarHBondContact O-CB 3.44Å; C36-K40 WeakPolarHBondContact O-CG 3.23Å; C36-K40 PolarHBondContact O-N 2.03Å; C36-L64 PolarHBondContact N-O 3.4Å; C36-C76 WeakPolarHBondContact CA-SG 3.36Å; C36-C76 HydrophobicContact CB-CB 3.54Å; C36-C76 WeakPolarHBondContact CB-SG 3.19Å; C36-C76 VanDerWaalsContact SG-CA 3.54Å; C36-C76 WeakPolarHBondContact SG-CB 3.32Å; C36-C76 CovalentContact SG-SG 2.06Å; C36-C76 PolarHBondContact SG-SG 2.87Å |
| 37 | D | 97 | Very high | 95.6 | Very high | 70 Ų | 70 | 80.9 Ų | 80.9 | 37% | 0.374 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 170.8 | -178.7 | 60 | 0 | 0 | 0 | 111.5 | T35 V39 K40 N41 R44 | T35-D37 PolarHBondContact O-N 2.03Å; D37-V39 VanDerWaalsContact C-N 3.3Å; D37-V39 PolarHBondContact O-N 3.36Å; D37-K40 PolarHBondContact O-N 2.95Å; D37-N41 WeakPolarHBondContact O-CB 3.44Å; D37-N41 PolarHBondContact O-N 2.83Å; D37-N41 PolarHBondContact O-ND2 2.99Å; D37-N41 PolarHBondContact OD1-ND2 3.36Å; D37-R44 IonicContact OD2-CZ 3.94Å; D37-R44 IonicContact OD2-NE 2.76Å; D37-R44 IonicContact OD2-NH1 3.61Å; D37-R44 PolarHBondContact OD2-NH1 3.11Å |
| 38 | D | 96.6 | Very high | 95.5 | Very high | 22 Ų | 22 | 72.5 Ų | 72.5 | 12% | 0.118 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65.5 | -35.8 | 176 | -52.6 | -58.2 | 0 | 0 | 0 | 111.5 | L34 T35 N41 R44 K46 | L34-D38 HydrophobicContact CD1-CB 3.85Å; T35-D38 WeakPolarHBondContact CA-OD2 3Å; T35-D38 WeakPolarHBondContact CB-OD2 3.26Å; T35-D38 PolarHBondContact N-OD2 3.38Å; T35-D38 WeakPolarHBondContact O-CB 3.5Å; T35-D38 PolarHBondContact O-N 3.28Å; T35-D38 PolarHBondContact OG1-N 2.91Å; T35-D38 PolarHBondContact OG1-OD2 3.46Å; D38-N41 CarbonylContact O-C 3.54Å; D38-R44 IonicContact OD1-NH1 3.96Å; D38-K46 WeakPolarHBondContact OD1-CD 3.48Å; D38-K46 IonicContact OD1-NZ 3.28Å; D38-K46 PolarHBondContact OD1-NZ 3.02Å; D38-K46 IonicContact OD2-NZ 2.71Å; D38-K46 PolarHBondContact OD2-NZ 3.2Å |
| 39 | V | 97.3 | Very high | 95.5 | Very high | 52 Ų | 52 | 72.8 Ų | 72.8 | 32% | 0.315 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.9 | -42.8 | 176.2 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | L34 T35 C36 D37 A63 T73 C76 | L34-V39 HydrophobicContact CD1-CG2 4.35Å; L34-V39 HydrophobicContact CD2-CG2 4.26Å; L34-V39 HydrophobicContact CG-CG2 4.25Å; T35-V39 PolarHBondContact O-N 2.89Å; T35-V39 VanDerWaalsContact O-N 3.11Å; C36-V39 PolarHBondContact O-N 2.97Å; D37-V39 VanDerWaalsContact C-N 3.3Å; D37-V39 PolarHBondContact O-N 3.36Å; V39-A63 HydrophobicContact CG2-CB 3.99Å; V39-T73 HydrophobicContact CG2-CG2 4.03Å; V39-C76 HydrophobicContact CB-CB 4.26Å; V39-C76 HydrophobicContact CG1-CB 4.1Å |
| 40 | K | 97.4 | Very high | 95.4 | Very high | 136 Ų | 136 | 84.6 Ų | 84.6 | 59% | 0.591 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -74 | -29.5 | 179.5 | -71.8 | 176.3 | -176.1 | -175 | 0 | 113.1 | C36 D37 P42 C76 | C36-K40 WeakPolarHBondContact O-CB 3.44Å; C36-K40 WeakPolarHBondContact O-CG 3.23Å; C36-K40 PolarHBondContact O-N 2.03Å; D37-K40 PolarHBondContact O-N 2.95Å; K40-P42 VanDerWaalsContact C-CD 3.4Å; K40-P42 VanDerWaalsContact O-CD 3.3Å; K40-P42 WeakPolarHBondContact O-CD 3.45Å; K40-C76 WeakPolarHBondContact CE-O 3.36Å; K40-C76 PolarHBondContact NZ-O 2.76Å |
| 41 | N | 97 | Very high | 95.5 | Very high | 78 Ų | 78 | 87.4 Ų | 87.4 | 42% | 0.417 | 46% | 0.456 | S | S | . | . | trans | -121 | 66.6 | -176.4 | -60.3 | -65.7 | 0 | 0 | 0 | 110.7 | D37 D38 N43 R44 | D37-N41 WeakPolarHBondContact O-CB 3.44Å; D37-N41 PolarHBondContact O-N 2.83Å; D37-N41 PolarHBondContact O-ND2 2.99Å; D37-N41 PolarHBondContact OD1-ND2 3.36Å; D38-N41 CarbonylContact O-C 3.54Å; N41-N43 PolarHBondContact O-N 2.79Å; N41-N43 VanDerWaalsContact O-N 3.09Å; N41-R44 HydrophobicContact CB-CB 4.19Å; N41-R44 WeakPolarHBondContact O-CB 3.01Å; N41-R44 PolarHBondContact O-N 3.41Å | ||
| 42 | P | 94.3 | Very high | 95.5 | Very high | 103 Ų | 103 | 89.8 Ų | 89.8 | 67% | 0.669 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -21.7 | -172.6 | 25.8 | -35.7 | 0 | 0 | 0 | 113.9 | K40 R44 | K40-P42 VanDerWaalsContact C-CD 3.4Å; K40-P42 VanDerWaalsContact O-CD 3.3Å; K40-P42 WeakPolarHBondContact O-CD 3.45Å; P42-R44 VanDerWaalsContact C-N 3.31Å |
| 43 | N | 94.9 | Very high | 95.6 | Very high | 162 Ų | 162 | 91.1 Ų | 91.1 | 87% | 0.866 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | 0.6 | 178.2 | -62.5 | -35.5 | 0 | 0 | 0 | 113.3 | N41 N45 | N41-N43 PolarHBondContact O-N 2.79Å; N41-N43 VanDerWaalsContact O-N 3.09Å; N43-N45 PolarHBondContact O-N 3.38Å |
| 44 | R | 91.5 | Very high | 95.6 | Very high | 137 Ų | 137 | 91.9 Ų | 91.9 | 52% | 0.517 | 49% | 0.486 | S | S | . | . | trans | -66.8 | 123.4 | 176.9 | -176.6 | -175.7 | 179.1 | -154.2 | -5.9 | 109.2 | D37 D38 N41 P42 K46 | D37-R44 IonicContact OD2-CZ 3.94Å; D37-R44 IonicContact OD2-NE 2.76Å; D37-R44 IonicContact OD2-NH1 3.61Å; D37-R44 PolarHBondContact OD2-NH1 3.11Å; D38-R44 IonicContact OD1-NH1 3.96Å; N41-R44 HydrophobicContact CB-CB 4.19Å; N41-R44 WeakPolarHBondContact O-CB 3.01Å; N41-R44 PolarHBondContact O-N 3.41Å; P42-R44 VanDerWaalsContact C-N 3.31Å; R44-K46 VanDerWaalsContact C-N 3.33Å; R44-K46 PolarHBondContact O-N 2.81Å | ||
| 45 | N | 90.3 | Very high | 95.6 | Very high | 148 Ų | 148 | 88.7 Ų | 88.7 | 79% | 0.791 | 47% | 0.474 | S | S | * | . | trans | -76.6 | 84.9 | 175.8 | -162.3 | 26.7 | 0 | 0 | 0 | 110.4 | N43 V47 | N43-N45 PolarHBondContact O-N 3.38Å; N45-V47 PolarHBondContact O-N 3.3Å | ||
| 46 | K | 92 | Very high | 95.5 | Very high | 69 Ų | 69 | 89.3 Ų | 89.3 | 30% | 0.3 | 48% | 0.48 | S | S | . | . | trans | -79.9 | 106.5 | 177.5 | -165.7 | -170.2 | -164.2 | 163.5 | 0 | 109.7 | C32 P33 D38 R44 | C32-K46 HydrophobicContact CB-CD 4.24Å; P33-K46 PolarHBondContact O-NZ 3.13Å; D38-K46 WeakPolarHBondContact OD1-CD 3.48Å; D38-K46 IonicContact OD1-NZ 3.28Å; D38-K46 PolarHBondContact OD1-NZ 3.02Å; D38-K46 IonicContact OD2-NZ 2.71Å; D38-K46 PolarHBondContact OD2-NZ 3.2Å; R44-K46 VanDerWaalsContact C-N 3.33Å; R44-K46 PolarHBondContact O-N 2.81Å | ||
| 47 | V | 94.2 | Very high | 95.5 | Very high | 131 Ų | 131 | 89.9 Ų | 89.9 | 79% | 0.794 | 48% | 0.48 | S | S | * | . | trans | -77.8 | 123.8 | 175.2 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | N45 | N45-V47 PolarHBondContact O-N 3.3Š| ||
| 48 | C | 95.3 | Very high | 95.6 | Very high | 50 Ų | 50 | 87.9 Ų | 87.9 | 34% | 0.338 | 47% | 0.471 | S | S | . | . | trans | -133.7 | 137.4 | -176.9 | -66.3 | 0 | 0 | 0 | 0 | 110.9 | C32 | C32-C48 HydrophobicContact CB-CB 3.71Å; C32-C48 WeakPolarHBondContact CB-SG 2.99Å; C32-C48 VanDerWaalsContact SG-CA 3.52Å; C32-C48 WeakPolarHBondContact SG-CB 3.12Å; C32-C48 CovalentContact SG-SG 2.02Å; C32-C48 PolarHBondContact SG-SG 2.78Å | ||
| 49 | S | 96 | Very high | 95.6 | Very high | 62 Ų | 62 | 91 Ų | 91 | 43% | 0.434 | 48% | 0.484 | S | S | . | . | trans | -68.5 | 147.6 | 170.3 | 59.6 | 0 | 0 | 0 | 0 | 109.9 | Q51 | S49-Q51 PolarHBondContact O-N 2.82Å; S49-Q51 WeakPolarHBondContact OG-CG 3.2Å; S49-Q51 PolarHBondContact OG-NE2 2.93Å; S49-Q51 VanDerWaalsContact OG-NE2 3.13Å | ||
| 50 | R | 93.9 | Very high | 95.6 | Very high | 254 Ų | 254 | 93.5 Ų | 93.5 | 96% | 0.958 | 51% | 0.51 | S | S | * | . | trans | -83 | 12.2 | 177.8 | -65.7 | -173.8 | 178 | 179.6 | -0.3 | 113.3 | ||||
| 51 | Q | 96.9 | Very high | 95.7 | Very high | 121 Ų | 121 | 89.3 Ų | 89.3 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | trans | -73.2 | 141.9 | -180 | 74.1 | -165.4 | -9.9 | 0 | 0 | 111 | A31 S49 V53 | A31-Q51 HydrophobicContact CB-CG 3.92Å; S49-Q51 PolarHBondContact O-N 2.82Å; S49-Q51 WeakPolarHBondContact OG-CG 3.2Å; S49-Q51 PolarHBondContact OG-NE2 2.93Å; S49-Q51 VanDerWaalsContact OG-NE2 3.13Å; Q51-V53 HydrophobicContact CG-CG2 4.23Å | ||
| 52 | C | 97.4 | Very high | 95.7 | Very high | 85 Ų | 85 | 87.7 Ų | 87.7 | 57% | 0.574 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 134 | 167.1 | -75.8 | 0 | 0 | 0 | 0 | 109.9 | C28 | C28-C52 HydrophobicContact CB-CB 3.55Å; C28-C52 WeakPolarHBondContact CB-SG 3.44Å; C28-C52 WeakPolarHBondContact SG-CB 3.37Å; C28-C52 CovalentContact SG-SG 2.03Å; C28-C52 PolarHBondContact SG-SG 2.86Å |
| 53 | V | 96.7 | Very high | 95.9 | Very high | 58 Ų | 58 | 82.8 Ų | 82.8 | 35% | 0.352 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 134.3 | 168.2 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | G29 A31 Q51 F57 | G29-V53 PolarHBondContact N-O 3.42Å; G29-V53 PolarHBondContact O-N 3.47Å; A31-V53 HydrophobicContact CB-CG2 3.8Å; Q51-V53 HydrophobicContact CG-CG2 4.23Å; V53-F57 WeakPolarHBondContact O-CZ 3.33Å |
| 54 | A | 96.5 | Very high | 96.1 | Very high | 64 Ų | 64 | 76.1 Ų | 76.1 | 53% | 0.529 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 137.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | R26 R27 | R26-A54 WeakPolarHBondContact O-CA 3.16Å; R27-A54 WeakPolarHBondContact O-CA 3.01Å; R27-A54 WeakPolarHBondContact O-CB 3.24Å |
| 55 | G | 95.8 | Very high | 96.4 | Very high | 19 Ų | 19 | 71.9 Ų | 71.9 | 20% | 0.196 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.7 | -170.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | F25 R26 F57 | F25-G55 CarbonylContact C-O 3.4Å; F25-G55 WeakPolarHBondContact CA-O 3.47Å; R26-G55 PolarHBondContact N-O 3.38Å; R26-G55 PolarHBondContact O-N 3.09Å; G55-F57 WeakPolarHBondContact O-CD2 3.46Å; G55-F57 WeakPolarHBondContact O-CE2 3.4Å |
| 56 | C | 97 | Very high | 96.7 | Very high | 41 Ų | 41 | 69.9 Ų | 69.9 | 28% | 0.277 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 133.2 | 173.7 | -63.6 | 0 | 0 | 0 | 0 | 110.1 | C19 E23 | C19-C56 WeakPolarHBondContact CA-SG 3.42Å; C19-C56 HydrophobicContact CB-CB 3.63Å; C19-C56 WeakPolarHBondContact CB-SG 3.38Å; C19-C56 VanDerWaalsContact SG-CA 3.56Å; C19-C56 WeakPolarHBondContact SG-CB 3.18Å; C19-C56 CovalentContact SG-SG 2.03Å; C19-C56 PolarHBondContact SG-SG 2.95Å; E23-C56 HydrophobicContact CB-CB 4.2Å; E23-C56 WeakPolarHBondContact OE2-CB 3.06Å |
| 57 | F | 97.8 | Very high | 97 | Very high | 25 Ų | 25 | 70.2 Ų | 70.2 | 11% | 0.11 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 145.8 | -178.7 | -60.1 | -86.1 | 0 | 0 | 0 | 109.6 | E23 V24 R26 G29 S30 V53 G55 K59 | E23-F57 CarbonylContact C-O 3.6Å; E23-F57 VanDerWaalsContact CA-O 3.23Å; E23-F57 WeakPolarHBondContact CA-O 3.39Å; V24-F57 PolarHBondContact N-O 3.35Å; V24-F57 PolarHBondContact O-N 2.85Å; R26-F57 HydrophobicContact CB-CD2 3.73Å; R26-F57 HydrophobicContact CB-CE2 3.93Å; R26-F57 HydrophobicContact CG-CD2 3.99Å; G29-F57 VanDerWaalsContact CA-CZ 3.47Å; S30-F57 WeakPolarHBondContact O-CE1 3.47Å; V53-F57 WeakPolarHBondContact O-CZ 3.33Å; G55-F57 WeakPolarHBondContact O-CD2 3.46Å; G55-F57 WeakPolarHBondContact O-CE2 3.4Å; F57-K59 PolarHBondContact O-N 3Å |
| 58 | C | 98.5 | Very high | 97 | Very high | 28 Ų | 28 | 71 Ų | 71 | 19% | 0.189 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.8 | 141.7 | 172.5 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | D22 F62 C70 | D22-C58 WeakPolarHBondContact O-CA 3.31Å; C58-F62 HydrophobicContact CB-CB 3.8Å; C58-C70 WeakPolarHBondContact CA-SG 3.47Å; C58-C70 HydrophobicContact CB-CB 3.77Å; C58-C70 WeakPolarHBondContact CB-SG 3.05Å; C58-C70 VanDerWaalsContact SG-CA 3.56Å; C58-C70 WeakPolarHBondContact SG-CB 3.36Å; C58-C70 CovalentContact SG-SG 2.03Å; C58-C70 PolarHBondContact SG-SG 3.39Å |
| 59 | K | 98.1 | Very high | 97.1 | Very high | 87 Ų | 87 | 72.1 Ų | 72.1 | 38% | 0.378 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 158.6 | 169.5 | -72.1 | 169.5 | -173.5 | 167.9 | 0 | 110.7 | D22 V24 F57 G61 F62 | D22-K59 HydrophobicContact CB-CD 4.19Å; D22-K59 WeakPolarHBondContact O-CG 3.47Å; D22-K59 PolarHBondContact O-N 3.26Å; D22-K59 IonicContact OD1-NZ 2.76Å; D22-K59 PolarHBondContact OD1-NZ 2.06Å; V24-K59 HydrophobicContact CG2-CG 3.64Å; F57-K59 PolarHBondContact O-N 3Å; K59-G61 PolarHBondContact O-N 3.39Å; K59-F62 HydrophobicContact CB-CD2 3.99Å; K59-F62 HydrophobicContact CB-CE2 4.47Å; K59-F62 WeakPolarHBondContact O-CB 2.77Å; K59-F62 PolarHBondContact O-N 3.13Å; K59-F62 VanDerWaalsContact O-N 3.09Å |
| 60 | A | 97.2 | Very high | 97.3 | Very high | 105 Ų | 105 | 69.5 Ų | 69.5 | 87% | 0.868 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 135.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 61 | G | 97.9 | Very high | 97.5 | Very high | 49 Ų | 49 | 58.7 Ų | 58.7 | 51% | 0.505 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | 7.5 | -175 | 0 | 0 | 0 | 0 | 0 | 115.2 | K59 T73 | K59-G61 PolarHBondContact O-N 3.39Å; G61-T73 WeakPolarHBondContact O-CG2 3.49Å; G61-T73 PolarHBondContact O-N 2.98Å; G61-T73 PolarHBondContact O-OG1 2.9Å |
| 62 | F | 98.6 | Very high | 97.6 | Very high | 43 Ų | 43 | 55.2 Ų | 55.2 | 19% | 0.189 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 154.1 | 175.7 | -72.2 | -115.4 | 0 | 0 | 0 | 111.2 | D22 C58 K59 C70 V71 P72 | D22-F62 HydrophobicContact CB-CD1 3.73Å; D22-F62 HydrophobicContact CB-CE1 3.63Å; D22-F62 HydrophobicContact CB-CG 4.45Å; D22-F62 HydrophobicContact CB-CZ 4.27Å; C58-F62 HydrophobicContact CB-CB 3.8Å; K59-F62 HydrophobicContact CB-CD2 3.99Å; K59-F62 HydrophobicContact CB-CE2 4.47Å; K59-F62 WeakPolarHBondContact O-CB 2.77Å; K59-F62 PolarHBondContact O-N 3.13Å; K59-F62 VanDerWaalsContact O-N 3.09Å; F62-C70 HydrophobicContact CB-CB 4.34Å; F62-C70 HydrophobicContact CD1-CB 4.35Å; F62-V71 CarbonylContact C-O 3.47Å; F62-V71 WeakPolarHBondContact CA-O 3.36Å; F62-V71 WeakPolarHBondContact CB-O 3.37Å; F62-V71 WeakPolarHBondContact CD1-O 3.08Å; F62-P72 HydrophobicContact CD1-CG 4.3Å; F62-P72 HydrophobicContact CE1-CB 4.48Å; F62-P72 HydrophobicContact CE1-CG 3.73Å; F62-P72 HydrophobicContact CZ-CG 3.99Å |
| 63 | A | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 153.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L34 V39 N65 V71 T73 | L34-A63 HydrophobicContact CB-CB 4.46Å; L34-A63 HydrophobicContact CD2-CB 4.05Å; L34-A63 HydrophobicContact CG-CB 3.9Å; L34-A63 WeakPolarHBondContact O-CA 3.48Å; V39-A63 HydrophobicContact CG2-CB 3.99Å; A63-N65 PolarHBondContact O-N 2.72Å; A63-V71 PolarHBondContact N-O 2.88Å; A63-V71 PolarHBondContact O-N 3.11Å; A63-T73 HydrophobicContact CB-CG2 4.14Å |
| 64 | L | 98.3 | Very high | 97.7 | Very high | 23 Ų | 23 | 55.8 Ų | 55.8 | 12% | 0.12 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 123.5 | 175.4 | -69.2 | 170.4 | 0 | 0 | 0 | 110.5 | P33 L34 T35 C36 K68 | P33-L64 HydrophobicContact CB-CD1 3.82Å; P33-L64 HydrophobicContact CG-CD1 3.7Å; L34-L64 PolarHBondContact O-N 3.22Å; T35-L64 CarbonylContact C-O 3.57Å; T35-L64 VanDerWaalsContact CA-O 3.31Å; T35-L64 WeakPolarHBondContact CA-O 3.44Å; T35-L64 HydrophobicContact CG2-CB 4.33Å; C36-L64 PolarHBondContact N-O 3.4Å; L64-K68 WeakPolarHBondContact CD2-O 3.35Å |
| 65 | N | 98 | Very high | 97.7 | Very high | 47 Ų | 47 | 56.5 Ų | 56.5 | 25% | 0.251 | 37% | 0.371 | S | S | . | . | trans | -76.2 | -178.8 | 167.5 | 72.6 | 11.9 | 0 | 0 | 0 | 111.6 | A63 A67 K68 V69 V71 | A63-N65 PolarHBondContact O-N 2.72Å; N65-A67 PolarHBondContact O-N 2.95Å; N65-A67 WeakPolarHBondContact OD1-CA 2.96Å; N65-A67 WeakPolarHBondContact OD1-CB 2.77Å; N65-A67 PolarHBondContact OD1-N 2.02Å; N65-K68 PolarHBondContact O-N 3.13Å; N65-K68 PolarHBondContact OD1-N 2.71Å; N65-K68 VanDerWaalsContact OD1-N 3.13Å; N65-V69 PolarHBondContact N-O 2.99Å; N65-V69 PolarHBondContact OD1-N 2.65Å; N65-V69 PolarHBondContact OD1-O 3.44Å; N65-V71 HydrophobicContact CB-CG1 4.46Å; N65-V71 HydrophobicContact CB-CG2 4.14Å | ||
| 66 | A | 96.8 | Very high | 97.8 | Very high | 107 Ų | 107 | 58.1 Ų | 58.1 | 88% | 0.884 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -29.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | K68 | A66-K68 PolarHBondContact O-N 3.28Š|
| 67 | A | 97.1 | Very high | 97.8 | Very high | 76 Ų | 76 | 59 Ų | 59 | 63% | 0.628 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | 8.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | N65 V69 | N65-A67 PolarHBondContact O-N 2.95Å; N65-A67 WeakPolarHBondContact OD1-CA 2.96Å; N65-A67 WeakPolarHBondContact OD1-CB 2.77Å; N65-A67 PolarHBondContact OD1-N 2.02Å; A67-V69 HydrophobicContact CB-CG2 4.41Å; A67-V69 PolarHBondContact O-N 3.34Å |
| 68 | K | 95.6 | Very high | 97.8 | Very high | 146 Ų | 146 | 60.7 Ų | 60.7 | 64% | 0.635 | 40% | 0.398 | S | S | * | . | S | Bend | trans | 60.8 | 30.3 | -177.8 | -54 | -62 | -175.1 | -179.8 | 0 | 113.9 | L64 N65 A66 | L64-K68 WeakPolarHBondContact CD2-O 3.35Å; N65-K68 PolarHBondContact O-N 3.13Å; N65-K68 PolarHBondContact OD1-N 2.71Å; N65-K68 VanDerWaalsContact OD1-N 3.13Å; A66-K68 PolarHBondContact O-N 3.28Å |
| 69 | V | 97.6 | Very high | 97.8 | Very high | 74 Ų | 74 | 62.6 Ų | 62.6 | 45% | 0.448 | 41% | 0.41 | S | S | . | . | trans | -102.3 | 136.4 | 172.8 | -179.1 | 0 | 0 | 0 | 0 | 109.1 | N65 A67 V71 | N65-V69 PolarHBondContact N-O 2.99Å; N65-V69 PolarHBondContact OD1-N 2.65Å; N65-V69 PolarHBondContact OD1-O 3.44Å; A67-V69 HydrophobicContact CB-CG2 4.41Å; A67-V69 PolarHBondContact O-N 3.34Å; V69-V71 PolarHBondContact O-N 3.27Å | ||
| 70 | C | 98.6 | Very high | 97.7 | Very high | 7 Ų | 7 | 61.1 Ų | 61.1 | 5% | 0.047 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 119 | 172.3 | -64.6 | 0 | 0 | 0 | 0 | 110 | D22 E23 C58 F62 | D22-C70 HydrophobicContact CB-CB 4.11Å; E23-C70 HydrophobicContact CG-CB 4.47Å; E23-C70 WeakPolarHBondContact CG-SG 3.42Å; C58-C70 WeakPolarHBondContact CA-SG 3.47Å; C58-C70 HydrophobicContact CB-CB 3.77Å; C58-C70 WeakPolarHBondContact CB-SG 3.05Å; C58-C70 VanDerWaalsContact SG-CA 3.56Å; C58-C70 WeakPolarHBondContact SG-CB 3.36Å; C58-C70 CovalentContact SG-SG 2.03Å; C58-C70 PolarHBondContact SG-SG 3.39Å; F62-C70 HydrophobicContact CB-CB 4.34Å; F62-C70 HydrophobicContact CD1-CB 4.35Å |
| 71 | V | 98.6 | Very high | 97.8 | Very high | 27 Ų | 27 | 58.4 Ų | 58.4 | 16% | 0.164 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 153.3 | 173.8 | -61.3 | 0 | 0 | 0 | 0 | 109.4 | F62 A63 N65 V69 T73 | F62-V71 CarbonylContact C-O 3.47Å; F62-V71 WeakPolarHBondContact CA-O 3.36Å; F62-V71 WeakPolarHBondContact CB-O 3.37Å; F62-V71 WeakPolarHBondContact CD1-O 3.08Å; A63-V71 PolarHBondContact N-O 2.88Å; A63-V71 PolarHBondContact O-N 3.11Å; N65-V71 HydrophobicContact CB-CG1 4.46Å; N65-V71 HydrophobicContact CB-CG2 4.14Å; V69-V71 PolarHBondContact O-N 3.27Å; V71-T73 PolarHBondContact O-N 3.21Å |
| 72 | P | 98.5 | Very high | 97.8 | Very high | 48 Ų | 48 | 59 Ų | 59 | 31% | 0.312 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.3 | 141.3 | 173 | -25 | 34.1 | 0 | 0 | 0 | 110.1 | F62 S74 S75 C76 | F62-P72 HydrophobicContact CD1-CG 4.3Å; F62-P72 HydrophobicContact CE1-CB 4.48Å; F62-P72 HydrophobicContact CE1-CG 3.73Å; F62-P72 HydrophobicContact CZ-CG 3.99Å; P72-S74 PolarHBondContact O-N 3.33Å; P72-S74 VanDerWaalsContact O-N 3.11Å; P72-S75 CarbonylContact O-C 3.52Å; P72-S75 WeakPolarHBondContact O-CA 3.3Å; P72-S75 WeakPolarHBondContact O-CB 3.32Å; P72-S75 PolarHBondContact O-N 3.3Å; P72-C76 PolarHBondContact O-N 3.34Å |
| 73 | T | 98.3 | Very high | 97.7 | Very high | 52 Ų | 52 | 60.1 Ų | 60.1 | 32% | 0.319 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -60.5 | -24.1 | 178.9 | 49.9 | 0 | 0 | 0 | 0 | 112.7 | L34 V39 G61 A63 V71 S75 C76 | L34-T73 HydrophobicContact CD2-CG2 4.11Å; V39-T73 HydrophobicContact CG2-CG2 4.03Å; G61-T73 WeakPolarHBondContact O-CG2 3.49Å; G61-T73 PolarHBondContact O-N 2.98Å; G61-T73 PolarHBondContact O-OG1 2.9Å; A63-T73 HydrophobicContact CB-CG2 4.14Å; V71-T73 PolarHBondContact O-N 3.21Å; T73-S75 PolarHBondContact O-N 3.09Å; T73-C76 WeakPolarHBondContact O-CB 3.49Å; T73-C76 PolarHBondContact O-N 2.98Å |
| 74 | S | 98.1 | Very high | 97.6 | Very high | 103 Ų | 103 | 64.8 Ų | 64.8 | 72% | 0.72 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -71.4 | -11.3 | 171.3 | 56.4 | 0 | 0 | 0 | 0 | 114.4 | P72 | P72-S74 PolarHBondContact O-N 3.33Å; P72-S74 VanDerWaalsContact O-N 3.11Å |
| 75 | S | 98 | Very high | 97.6 | Very high | 80 Ų | 80 | 68.3 Ų | 68.3 | 56% | 0.559 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -111.6 | 8 | 177.7 | -56.5 | 0 | 0 | 0 | 0 | 112.2 | P72 T73 | P72-S75 CarbonylContact O-C 3.52Å; P72-S75 WeakPolarHBondContact O-CA 3.3Å; P72-S75 WeakPolarHBondContact O-CB 3.32Å; P72-S75 PolarHBondContact O-N 3.3Å; T73-S75 PolarHBondContact O-N 3.09Å |
| 76 | C | 96 | Very high | 97.6 | Very high | 52 Ų | 52 | 70.2 Ų | 70.2 | 35% | 0.351 | 46% | 0.461 | S | S | . | . | trans | -71.7 | 0 | 152.4 | -62 | 0 | 0 | 0 | 0 | 107.6 | C36 V39 K40 P72 T73 | C36-C76 WeakPolarHBondContact CA-SG 3.36Å; C36-C76 HydrophobicContact CB-CB 3.54Å; C36-C76 WeakPolarHBondContact CB-SG 3.19Å; C36-C76 VanDerWaalsContact SG-CA 3.54Å; C36-C76 WeakPolarHBondContact SG-CB 3.32Å; C36-C76 CovalentContact SG-SG 2.06Å; C36-C76 PolarHBondContact SG-SG 2.87Å; V39-C76 HydrophobicContact CB-CB 4.26Å; V39-C76 HydrophobicContact CG1-CB 4.1Å; K40-C76 WeakPolarHBondContact CE-O 3.36Å; K40-C76 PolarHBondContact NZ-O 2.76Å; P72-C76 PolarHBondContact O-N 3.34Å; T73-C76 WeakPolarHBondContact O-CB 3.49Å; T73-C76 PolarHBondContact O-N 2.98Å |
Retrieved 76 of 76 residues in 74.4 ms
(Link to these results)