| 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 | 66.1 | Low | 90.4 | Very high | 241 Ų | 241 | 123.4 Ų | 123.4 | 100% | 1.187 | 62% | 0.62 | S | S | * | * | 0 | 115.5 | 0 | -157.8 | 178.2 | -75.7 | 0 | 0 | 107 | |||||
| 2 | A | 77.8 | Confident | 91 | Very high | 97 Ų | 97 | 122.3 Ų | 122.3 | 80% | 0.802 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 136.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | K4 | A2-K4 PolarHBondContact O-N 3.13Š|
| 3 | R | 84.1 | Confident | 91.5 | Very high | 247 Ų | 247 | 113.5 Ų | 113.5 | 93% | 0.932 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 129.8 | 176.2 | -73.3 | -179 | 170.9 | 171.2 | -2.6 | 108.3 | ||
| 4 | K | 91 | Very high | 91.9 | Very high | 158 Ų | 158 | 105.6 Ų | 105.6 | 69% | 0.687 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 134.7 | 172.6 | -69.6 | -173 | 177.7 | -174 | 0 | 108.8 | A2 | A2-K4 PolarHBondContact O-N 3.13Š|
| 5 | P | 95.5 | Very high | 92.3 | Very high | 74 Ų | 74 | 99.4 Ų | 99.4 | 48% | 0.481 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 143.1 | 175.4 | 29.8 | -34.8 | 0 | 0 | 0 | 110.1 | E77 | P5-E77 HydrophobicContact CB-CG 4.2Å; P5-E77 WeakPolarHBondContact CB-OE2 3.17Å; P5-E77 HydrophobicContact CG-CB 4.32Å; P5-E77 HydrophobicContact CG-CG 4.4Å; P5-E77 WeakPolarHBondContact CG-OE2 3.18Å; P5-E77 PolarHBondContact O-N 2.93Å |
| 6 | M | 96.4 | Very high | 92.7 | Very high | 95 Ų | 95 | 93.2 Ų | 93.2 | 47% | 0.468 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 133.8 | -171.9 | -65 | -67.5 | -69.2 | 0 | 0 | 109.7 | T8 P76 | M6-T8 HydrophobicContact CB-CG2 4.34Å; M6-P76 HydrophobicContact SD-CB 4.44Å; M6-P76 HydrophobicContact SD-CG 4.22Å |
| 7 | V | 97.2 | Very high | 93 | Very high | 45 Ų | 45 | 88.6 Ų | 88.6 | 27% | 0.273 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 124.5 | 163.8 | -178 | 0 | 0 | 0 | 0 | 107.5 | G74 M75 E77 F80 | V7-G74 CarbonylContact O-C 3.52Å; V7-G74 WeakPolarHBondContact O-CA 3.34Å; V7-M75 PolarHBondContact N-O 3.27Å; V7-M75 PolarHBondContact O-N 2.68Å; V7-E77 HydrophobicContact CG2-CB 4.49Å; V7-E77 HydrophobicContact CG2-CG 3.62Å; V7-F80 HydrophobicContact CB-CB 4.44Å; V7-F80 HydrophobicContact CB-CD2 4.48Å; V7-F80 HydrophobicContact CB-CG 4.38Å; V7-F80 HydrophobicContact CG1-CD2 4.17Å; V7-F80 HydrophobicContact CG1-CE2 4.38Å; V7-F80 HydrophobicContact CG1-CG 4.43Å; V7-F80 HydrophobicContact CG2-CB 3.88Å; V7-F80 HydrophobicContact CG2-CD1 4.07Å; V7-F80 HydrophobicContact CG2-CD2 4.4Å; V7-F80 HydrophobicContact CG2-CG 3.85Å |
| 8 | T | 97.3 | Very high | 93.2 | Very high | 92 Ų | 92 | 83.7 Ų | 83.7 | 56% | 0.564 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 144 | 178 | 60.4 | 0 | 0 | 0 | 0 | 111.5 | M6 L73 | M6-T8 HydrophobicContact CB-CG2 4.34Å; T8-L73 CarbonylContact C-O 3.6Å; T8-L73 VanDerWaalsContact CA-O 3.26Å; T8-L73 WeakPolarHBondContact CA-O 3.4Å |
| 9 | R | 96.3 | Very high | 93.4 | Very high | 177 Ų | 177 | 82.5 Ų | 82.5 | 67% | 0.668 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 134.4 | 172.7 | -169.6 | 175.6 | 178.7 | -150.8 | 0.8 | 111 | I11 L73 | R9-I11 HydrophobicContact CB-CG1 4.31Å; R9-I11 HydrophobicContact CG-CD1 4.36Å; R9-I11 HydrophobicContact CG-CG1 3.87Å; R9-L73 PolarHBondContact N-O 3.19Å; R9-L73 PolarHBondContact O-N 2.8Å |
| 10 | T | 96.9 | Very high | 93.6 | Very high | 81 Ų | 81 | 78.4 Ų | 78.4 | 50% | 0.497 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 127 | 166.5 | -51.9 | 0 | 0 | 0 | 0 | 109.4 | E70 K71 | T10-E70 HydrophobicContact CG2-CB 4.22Å; T10-K71 WeakPolarHBondContact CA-O 3.32Å |
| 11 | I | 96 | Very high | 93.8 | Very high | 50 Ų | 50 | 78.2 Ų | 78.2 | 26% | 0.256 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 138.7 | -178.3 | -54.1 | 178.5 | 0 | 0 | 0 | 108.9 | R9 V13 K71 | R9-I11 HydrophobicContact CB-CG1 4.31Å; R9-I11 HydrophobicContact CG-CD1 4.36Å; R9-I11 HydrophobicContact CG-CG1 3.87Å; I11-V13 HydrophobicContact CG2-CG1 4.47Å; I11-K71 PolarHBondContact N-O 2.96Å; I11-K71 PolarHBondContact O-N 3.3Å |
| 12 | K | 97.1 | Very high | 95.2 | Very high | 110 Ų | 110 | 68.3 Ų | 68.3 | 48% | 0.478 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 120.6 | 165.3 | -72.9 | -177.8 | 179.1 | -174.8 | 0 | 109.5 | R37 T38 V68 E69 E70 | K12-R37 WeakPolarHBondContact O-CA 3.44Å; K12-R37 PolarHBondContact O-N 3.25Å; K12-T38 HydrophobicContact CB-CG2 4Å; K12-T38 HydrophobicContact CD-CG2 4.34Å; K12-V68 HydrophobicContact CB-CG1 4.24Å; K12-V68 HydrophobicContact CG-CG1 4.47Å; K12-E69 WeakPolarHBondContact CA-O 3.34Å; K12-E70 WeakPolarHBondContact CE-OE1 2.89Å; K12-E70 HydrophobicContact CG-CG 3.67Å; K12-E70 IonicContact NZ-OE1 3.72Å |
| 13 | V | 97.3 | Very high | 96 | Very high | 8 Ų | 8 | 68.2 Ų | 68.2 | 5% | 0.048 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 148.6 | 174.1 | -58.4 | 0 | 0 | 0 | 0 | 109.6 | I11 T34 L35 V68 E69 K71 | I11-V13 HydrophobicContact CG2-CG1 4.47Å; V13-T34 HydrophobicContact CB-CG2 3.91Å; V13-T34 HydrophobicContact CG1-CG2 4.21Å; V13-T34 HydrophobicContact CG2-CG2 4.01Å; V13-L35 WeakPolarHBondContact CA-O 3.41Å; V13-V68 WeakPolarHBondContact O-CA 3.2Å; V13-E69 HydrophobicContact CG2-CG 3.53Å; V13-E69 PolarHBondContact N-O 3.46Å; V13-E69 PolarHBondContact O-N 3.35Å; V13-K71 HydrophobicContact CG2-CD 3.95Å; V13-K71 HydrophobicContact CG2-CG 4.26Å |
| 14 | T | 98.1 | Very high | 96.5 | Very high | 4 Ų | 4 | 63.8 Ų | 63.8 | 3% | 0.025 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 121.5 | 169.7 | -56.2 | 0 | 0 | 0 | 0 | 108.1 | L35 R37 T38 Y39 L45 W67 | T14-L35 PolarHBondContact N-O 3.33Å; T14-L35 PolarHBondContact O-N 2.78Å; T14-R37 PolarHBondContact N-O 3.34Å; T14-R37 PolarHBondContact OG1-O 3.12Å; T14-T38 WeakPolarHBondContact OG1-CA 3.46Å; T14-Y39 HydrophobicContact CG2-CD2 4.18Å; T14-L45 HydrophobicContact CG2-CD1 3.75Å; T14-L45 HydrophobicContact CG2-CD2 4.07Å; T14-W67 CarbonylContact C-O 3.56Å; T14-W67 WeakPolarHBondContact CA-O 3.36Å |
| 15 | Q | 97.6 | Very high | 96.6 | Very high | 12 Ų | 12 | 62.8 Ų | 62.8 | 6% | 0.056 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 137.4 | 166.3 | -62.5 | -61.4 | -13.7 | 0 | 0 | 108.4 | V33 T34 S66 W67 E69 K71 | Q15-V33 WeakPolarHBondContact CA-O 3.33Å; Q15-V33 PolarHBondContact OE1-O 3Å; Q15-T34 VanDerWaalsContact CD-OG1 3.24Å; Q15-T34 PolarHBondContact NE2-OG1 3.43Å; Q15-T34 PolarHBondContact OE1-OG1 3.32Å; Q15-S66 CarbonylContact O-C 3.54Å; Q15-S66 WeakPolarHBondContact O-CA 3.15Å; Q15-W67 HydrophobicContact CB-CD2 3.59Å; Q15-W67 HydrophobicContact CB-CE3 3.89Å; Q15-W67 HydrophobicContact CB-CG 4.24Å; Q15-W67 HydrophobicContact CB-CH2 3.65Å; Q15-W67 HydrophobicContact CB-CZ2 3.32Å; Q15-W67 HydrophobicContact CB-CZ3 3.92Å; Q15-W67 HydrophobicContact CG-CD2 4.31Å; Q15-W67 HydrophobicContact CG-CH2 4.35Å; Q15-W67 HydrophobicContact CG-CZ2 3.59Å; Q15-W67 PolarHBondContact N-O 2.77Å; Q15-W67 PolarHBondContact O-N 3.42Å; Q15-E69 HydrophobicContact CG-CG 4.31Å; Q15-E69 PolarHBondContact NE2-OE1 2.96Å; Q15-K71 VanDerWaalsContact NE2-NZ 3.12Å |
| 16 | A | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 131.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V18 E32 V33 L45 I63 K65 | A16-V18 HydrophobicContact CB-CG2 4.17Å; A16-E32 WeakPolarHBondContact O-CA 3.38Å; A16-V33 HydrophobicContact CB-CG2 3.98Å; A16-V33 PolarHBondContact N-O 3.21Å; A16-V33 PolarHBondContact O-N 3.14Å; A16-L45 HydrophobicContact CB-CD1 4.32Å; A16-L45 HydrophobicContact CB-CD2 4.07Å; A16-L45 HydrophobicContact CB-CG 4.4Å; A16-I63 HydrophobicContact CB-CD1 4.36Å; A16-K65 CarbonylContact C-O 3.52Å; A16-K65 VanDerWaalsContact CA-O 3.31Å; A16-K65 WeakPolarHBondContact CA-O 3.48Å |
| 17 | C | 97.6 | Very high | 96.3 | Very high | 16 Ų | 16 | 62.9 Ų | 62.9 | 11% | 0.108 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 110.2 | 162.6 | -55.9 | 0 | 0 | 0 | 0 | 107.2 | T30 S64 K65 | C17-T30 HydrophobicContact CB-CG2 4.1Å; C17-S64 PolarHBondContact O-N 3.41Å; C17-K65 HydrophobicContact CB-CB 4.1Å; C17-K65 PolarHBondContact N-O 2.85Å; C17-K65 PolarHBondContact O-N 3.36Å |
| 18 | V | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 125.1 | -176.2 | -171.6 | 0 | 0 | 0 | 0 | 108.1 | A16 T30 K31 V33 L46 A49 A60 I63 | A16-V18 HydrophobicContact CB-CG2 4.17Å; V18-T30 WeakPolarHBondContact O-CA 3.35Å; V18-K31 PolarHBondContact N-O 2.82Å; V18-K31 PolarHBondContact O-N 3.31Å; V18-V33 HydrophobicContact CG2-CG2 3.66Å; V18-L46 HydrophobicContact CG1-CD1 4.47Å; V18-A49 HydrophobicContact CG1-CB 4.46Å; V18-A49 HydrophobicContact CG2-CB 3.87Å; V18-A60 HydrophobicContact CG1-CB 3.55Å; V18-I63 HydrophobicContact CG1-CD1 4.41Å; V18-I63 HydrophobicContact CG2-CD1 3.93Å |
| 19 | L | 97.6 | Very high | 96.2 | Very high | 60 Ų | 60 | 63 Ų | 63 | 31% | 0.314 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 123.1 | 167.6 | -177.2 | 67 | 0 | 0 | 0 | 107.9 | P28 V61 S62 | L19-P28 HydrophobicContact CD1-CB 4.16Å; L19-V61 PolarHBondContact O-N 2.75Å; L19-S62 PolarHBondContact N-O 2.83Å; L19-S62 PolarHBondContact O-N 3.02Å |
| 20 | C | 97 | Very high | 96.2 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.007 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 154.6 | 179.1 | -60.2 | 0 | 0 | 0 | 0 | 110.2 | P28 C29 L58 K59 | C20-P28 CarbonylContact O-C 3.56Å; C20-P28 WeakPolarHBondContact O-CA 3.48Å; C20-C29 WeakPolarHBondContact CA-O 3.5Å; C20-C29 PolarHBondContact N-O 2.84Å; C20-C29 PolarHBondContact O-N 3.23Å; C20-C29 VanDerWaalsContact O-O 3.12Å; C20-L58 HydrophobicContact CB-CD1 3.81Å; C20-L58 HydrophobicContact CB-CD2 4.42Å; C20-L58 HydrophobicContact CB-CG 4.02Å; C20-K59 CarbonylContact C-O 3.45Å; C20-K59 WeakPolarHBondContact CA-O 3.43Å |
| 21 | L | 97.3 | Very high | 96.1 | Very high | 74 Ų | 74 | 59.6 Ų | 59.6 | 39% | 0.387 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 123 | 168.9 | -174.9 | 68 | 0 | 0 | 0 | 108.5 | K59 V61 | L21-K59 PolarHBondContact N-O 3.03Å; L21-K59 PolarHBondContact O-N 2.96Å; L21-V61 HydrophobicContact CB-CG2 4Å |
| 22 | D | 96.3 | Very high | 96.2 | Very high | 34 Ų | 34 | 64 Ų | 64 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 115.2 | 166.4 | -168.1 | -47.1 | 0 | 0 | 0 | 108.3 | E24 Q25 G26 E27 T57 L58 | D22-E24 PolarHBondContact OD1-N 2.78Å; D22-Q25 HydrophobicContact CB-CB 4.42Å; D22-Q25 PolarHBondContact OD1-N 2.82Å; D22-Q25 VanDerWaalsContact OD1-N 3.13Å; D22-G26 CarbonylContact O-C 3.58Å; D22-G26 WeakPolarHBondContact O-CA 3.46Å; D22-G26 PolarHBondContact O-N 2.89Å; D22-E27 PolarHBondContact N-O 2.99Å; D22-E27 PolarHBondContact O-N 2.89Å; D22-T57 CarbonylContact C-O 3.6Å; D22-L58 HydrophobicContact CB-CD1 4.25Å |
| 23 | I | 94.8 | Very high | 96.1 | Very high | 94 Ų | 94 | 59.7 Ų | 59.7 | 48% | 0.482 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -30.9 | -176.2 | -62.3 | 170.4 | 0 | 0 | 0 | 111 | T57 K59 | I23-T57 PolarHBondContact N-O 2.83Å; I23-K59 HydrophobicContact CD1-CG 3.64Å; I23-K59 HydrophobicContact CG1-CG 4.42Å |
| 24 | E | 93.5 | Very high | 96.1 | Very high | 154 Ų | 154 | 63.1 Ų | 63.1 | 72% | 0.72 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -42.6 | -179.3 | -66.4 | -170.7 | 160.3 | 0 | 0 | 111 | D22 T57 | D22-E24 PolarHBondContact OD1-N 2.78Å; E24-T57 VanDerWaalsContact CD-CG2 3.48Å; E24-T57 HydrophobicContact CG-CG2 3.67Å; E24-T57 WeakPolarHBondContact OE1-CG2 2.99Å |
| 25 | Q | 93.9 | Very high | 96.1 | Very high | 138 Ų | 138 | 63.7 Ų | 63.7 | 65% | 0.645 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -21.2 | -179.8 | -60.4 | -169.2 | -19.4 | 0 | 0 | 112.9 | D22 E27 | D22-Q25 HydrophobicContact CB-CB 4.42Å; D22-Q25 PolarHBondContact OD1-N 2.82Å; D22-Q25 VanDerWaalsContact OD1-N 3.13Å; Q25-E27 HydrophobicContact CB-CB 4.37Å; Q25-E27 HydrophobicContact CB-CG 4.26Å; Q25-E27 PolarHBondContact O-N 2.75Å |
| 26 | G | 92.2 | Very high | 95.8 | Very high | 53 Ų | 53 | 66.5 Ų | 66.5 | 55% | 0.546 | 37% | 0.366 | S | S | . | . | trans | 71.6 | 16.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D22 | D22-G26 CarbonylContact O-C 3.58Å; D22-G26 WeakPolarHBondContact O-CA 3.46Å; D22-G26 PolarHBondContact O-N 2.89Å | ||
| 27 | E | 93.6 | Very high | 95.6 | Very high | 118 Ų | 118 | 75.6 Ų | 75.6 | 55% | 0.551 | 40% | 0.4 | S | S | * | . | trans | -105.7 | 139.7 | -173.6 | -66.9 | -170.8 | 174.3 | 0 | 0 | 112.1 | D22 Q25 | D22-E27 PolarHBondContact N-O 2.99Å; D22-E27 PolarHBondContact O-N 2.89Å; Q25-E27 HydrophobicContact CB-CB 4.37Å; Q25-E27 HydrophobicContact CB-CG 4.26Å; Q25-E27 PolarHBondContact O-N 2.75Å | ||
| 28 | P | 95.5 | Very high | 95.5 | Very high | 96 Ų | 96 | 78.6 Ų | 78.6 | 62% | 0.623 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 133.9 | 169.7 | 30.2 | -31.8 | 0 | 0 | 0 | 110.1 | L19 C20 | L19-P28 HydrophobicContact CD1-CB 4.16Å; C20-P28 CarbonylContact O-C 3.56Å; C20-P28 WeakPolarHBondContact O-CA 3.48Å |
| 29 | C | 95.3 | Very high | 95.4 | Very high | 43 Ų | 43 | 81.9 Ų | 81.9 | 29% | 0.291 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 155.5 | 173 | 65 | 0 | 0 | 0 | 0 | 111.4 | C20 L58 | C20-C29 WeakPolarHBondContact CA-O 3.5Å; C20-C29 PolarHBondContact N-O 2.84Å; C20-C29 PolarHBondContact O-N 3.23Å; C20-C29 VanDerWaalsContact O-O 3.12Å; C29-L58 VanDerWaalsContact SG-CD1 3.59Å |
| 30 | T | 96.4 | Very high | 95.3 | Very high | 89 Ų | 89 | 89 Ų | 89 | 55% | 0.546 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 129.3 | 177.5 | -59.2 | 0 | 0 | 0 | 0 | 109.7 | C17 V18 | C17-T30 HydrophobicContact CB-CG2 4.1Å; V18-T30 WeakPolarHBondContact O-CA 3.35Å |
| 31 | K | 96.1 | Very high | 95.2 | Very high | 97 Ų | 97 | 92.6 Ų | 92.6 | 42% | 0.422 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 135.5 | 171.5 | -74.8 | -159.9 | 174.9 | 179.7 | 0 | 111.6 | V18 V53 L58 | V18-K31 PolarHBondContact N-O 2.82Å; V18-K31 PolarHBondContact O-N 3.31Å; K31-V53 HydrophobicContact CD-CG1 4.04Å; K31-L58 HydrophobicContact CD-CD2 3.7Å |
| 32 | E | 97.1 | Very high | 95.1 | Very high | 144 Ų | 144 | 93.3 Ų | 93.3 | 67% | 0.673 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 131.4 | 168.4 | -66.8 | -170.4 | 170.5 | 0 | 0 | 110 | A16 | A16-E32 WeakPolarHBondContact O-CA 3.38Å |
| 33 | V | 96.5 | Very high | 95.1 | Very high | 18 Ų | 18 | 99 Ų | 99 | 11% | 0.109 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 139.4 | 174.8 | -63.5 | 0 | 0 | 0 | 0 | 111.7 | Q15 A16 V18 L35 A49 V53 | Q15-V33 WeakPolarHBondContact CA-O 3.33Å; Q15-V33 PolarHBondContact OE1-O 3Å; A16-V33 HydrophobicContact CB-CG2 3.98Å; A16-V33 PolarHBondContact N-O 3.21Å; A16-V33 PolarHBondContact O-N 3.14Å; V18-V33 HydrophobicContact CG2-CG2 3.66Å; V33-L35 HydrophobicContact CG2-CD1 4.21Å; V33-L35 HydrophobicContact CG2-CG 4.14Å; V33-A49 HydrophobicContact CG2-CB 4.43Å; V33-V53 HydrophobicContact CG1-CG2 3.28Å |
| 34 | T | 97 | Very high | 95.2 | Very high | 81 Ų | 81 | 97.5 Ų | 97.5 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 114.4 | 168.9 | -58.1 | 0 | 0 | 0 | 0 | 108.7 | V13 Q15 | V13-T34 HydrophobicContact CB-CG2 3.91Å; V13-T34 HydrophobicContact CG1-CG2 4.21Å; V13-T34 HydrophobicContact CG2-CG2 4.01Å; Q15-T34 VanDerWaalsContact CD-OG1 3.24Å; Q15-T34 PolarHBondContact NE2-OG1 3.43Å; Q15-T34 PolarHBondContact OE1-OG1 3.32Å |
| 35 | L | 96.8 | Very high | 95.4 | Very high | 16 Ų | 16 | 90.3 Ų | 90.3 | 8% | 0.084 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 140.4 | 177.9 | -64.3 | 172.4 | 0 | 0 | 0 | 110.4 | V13 T14 V33 Y39 L45 A48 A49 A52 | V13-L35 WeakPolarHBondContact CA-O 3.41Å; T14-L35 PolarHBondContact N-O 3.33Å; T14-L35 PolarHBondContact O-N 2.78Å; V33-L35 HydrophobicContact CG2-CD1 4.21Å; V33-L35 HydrophobicContact CG2-CG 4.14Å; L35-Y39 HydrophobicContact CB-CE2 3.89Å; L35-Y39 HydrophobicContact CD1-CE2 4.29Å; L35-L45 HydrophobicContact CD1-CD1 3.59Å; L35-A48 HydrophobicContact CD1-CB 3.98Å; L35-A49 HydrophobicContact CD1-CB 4.23Å; L35-A52 HydrophobicContact CD2-CB 3.89Å |
| 36 | S | 93.2 | Very high | 95.5 | Very high | 71 Ų | 71 | 85.2 Ų | 85.2 | 50% | 0.497 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 145.2 | 173.1 | 72.4 | 0 | 0 | 0 | 0 | 110.1 | Y39 | S36-Y39 PolarHBondContact O-OH 3.45Å |
| 37 | R | 92.1 | Very high | 95.8 | Very high | 191 Ų | 191 | 90.6 Ų | 90.6 | 72% | 0.721 | 46% | 0.455 | S | S | * | . | S | Bend | trans | 75.8 | 177.7 | 178.2 | -44.3 | 172.4 | -177.2 | -164.5 | -0.6 | 113.2 | K12 T14 | K12-R37 WeakPolarHBondContact O-CA 3.44Å; K12-R37 PolarHBondContact O-N 3.25Å; T14-R37 PolarHBondContact N-O 3.34Å; T14-R37 PolarHBondContact OG1-O 3.12Å |
| 38 | T | 95.4 | Very high | 95.9 | Very high | 79 Ų | 79 | 86 Ų | 86 | 49% | 0.485 | 44% | 0.438 | S | S | . | . | trans | -107.8 | 147.9 | 173.9 | 59.2 | 0 | 0 | 0 | 0 | 110 | K12 T14 V68 | K12-T38 HydrophobicContact CB-CG2 4Å; K12-T38 HydrophobicContact CD-CG2 4.34Å; T14-T38 WeakPolarHBondContact OG1-CA 3.46Å; T38-V68 HydrophobicContact CG2-CB 4.45Å; T38-V68 HydrophobicContact CG2-CG1 3.64Å; T38-V68 HydrophobicContact CG2-CG2 3.88Å | ||
| 39 | Y | 96.5 | Very high | 96 | Very high | 69 Ų | 69 | 81.5 Ų | 81.5 | 27% | 0.271 | 41% | 0.408 | S | S | . | . | trans | -113.8 | 149.2 | -178 | -63.2 | -92.7 | 0 | 0 | 0 | 110.1 | T14 L35 S36 L45 A48 | T14-Y39 HydrophobicContact CG2-CD2 4.18Å; L35-Y39 HydrophobicContact CB-CE2 3.89Å; L35-Y39 HydrophobicContact CD1-CE2 4.29Å; S36-Y39 PolarHBondContact O-OH 3.45Å; Y39-L45 HydrophobicContact CD1-CB 4.48Å; Y39-L45 HydrophobicContact CD2-CB 4.47Å; Y39-L45 HydrophobicContact CD2-CD1 3.53Å; Y39-L45 HydrophobicContact CE2-CD1 3.86Å; Y39-L45 HydrophobicContact CG-CB 4.03Å; Y39-L45 HydrophobicContact CG-CD1 3.95Å; Y39-A48 HydrophobicContact CD1-CB 4.43Å; Y39-A48 HydrophobicContact CE1-CB 3.42Å; Y39-A48 VanDerWaalsContact CE1-CB 3.42Å; Y39-A48 WeakPolarHBondContact OH-CB 3.22Å | ||
| 40 | K | 94.2 | Very high | 96.1 | Very high | 210 Ų | 210 | 83.5 Ų | 83.5 | 91% | 0.913 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -77.4 | -32.8 | -175.3 | -68.3 | -175.8 | 177.3 | -177.7 | 0 | 112.3 | ||
| 41 | N | 95.2 | Very high | 96.1 | Very high | 76 Ų | 76 | 83.8 Ų | 83.8 | 41% | 0.406 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -155.1 | 165.5 | -175.7 | 59.9 | 16.1 | 0 | 0 | 0 | 110.1 | E43 T44 L45 | N41-E43 PolarHBondContact O-N 2.81Å; N41-T44 PolarHBondContact N-OG1 3.21Å; N41-T44 PolarHBondContact O-N 3.45Å; N41-T44 PolarHBondContact O-OG1 3.28Å; N41-T44 WeakPolarHBondContact OD1-CB 3.18Å; N41-T44 VanDerWaalsContact OD1-CG2 3.27Å; N41-T44 WeakPolarHBondContact OD1-CG2 3.4Å; N41-T44 PolarHBondContact OD1-N 2.81Å; N41-T44 PolarHBondContact OD1-OG1 3.31Å; N41-L45 PolarHBondContact O-N 3.44Å; N41-L45 VanDerWaalsContact O-N 3.12Å |
| 42 | D | 95.2 | Very high | 96 | Very high | 88 Ų | 88 | 82.2 Ų | 82.2 | 47% | 0.471 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.8 | -24 | -177.9 | -70.5 | -21.6 | 0 | 0 | 0 | 113.1 | L45 L46 I63 | D42-L45 PolarHBondContact O-N 2.9Å; D42-L46 WeakPolarHBondContact O-CB 3.39Å; D42-L46 PolarHBondContact O-N 2.88Å; D42-I63 HydrophobicContact CB-CB 4.36Å; D42-I63 HydrophobicContact CB-CG1 4.35Å |
| 43 | E | 95.9 | Very high | 95.9 | Very high | 154 Ų | 154 | 76 Ų | 76 | 72% | 0.72 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -67.3 | -48.5 | 175.8 | -170.4 | -174.3 | 173.3 | 0 | 0 | 111.9 | N41 L45 L46 K47 | N41-E43 PolarHBondContact O-N 2.81Å; E43-L45 VanDerWaalsContact C-N 3.29Å; E43-L45 PolarHBondContact O-N 3.05Å; E43-L46 PolarHBondContact O-N 3.35Å; E43-K47 PolarHBondContact O-N 3.42Å |
| 44 | T | 97.2 | Very high | 95.9 | Very high | 63 Ų | 63 | 78 Ų | 78 | 39% | 0.387 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.4 | -33.9 | 175.8 | 54.3 | 0 | 0 | 0 | 0 | 111.9 | N41 A48 | N41-T44 PolarHBondContact N-OG1 3.21Å; N41-T44 PolarHBondContact O-N 3.45Å; N41-T44 PolarHBondContact O-OG1 3.28Å; N41-T44 WeakPolarHBondContact OD1-CB 3.18Å; N41-T44 VanDerWaalsContact OD1-CG2 3.27Å; N41-T44 WeakPolarHBondContact OD1-CG2 3.4Å; N41-T44 PolarHBondContact OD1-N 2.81Å; N41-T44 PolarHBondContact OD1-OG1 3.31Å; T44-A48 PolarHBondContact O-N 2.81Å |
| 45 | L | 97.6 | Very high | 95.9 | Very high | 3 Ų | 3 | 77.4 Ų | 77.4 | 2% | 0.016 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -66.5 | -46.9 | 173.5 | 178.2 | 57.7 | 0 | 0 | 0 | 111.6 | T14 A16 L35 Y39 N41 D42 E43 K47 A48 A49 I63 S66 | T14-L45 HydrophobicContact CG2-CD1 3.75Å; T14-L45 HydrophobicContact CG2-CD2 4.07Å; A16-L45 HydrophobicContact CB-CD1 4.32Å; A16-L45 HydrophobicContact CB-CD2 4.07Å; A16-L45 HydrophobicContact CB-CG 4.4Å; L35-L45 HydrophobicContact CD1-CD1 3.59Å; Y39-L45 HydrophobicContact CD1-CB 4.48Å; Y39-L45 HydrophobicContact CD2-CB 4.47Å; Y39-L45 HydrophobicContact CD2-CD1 3.53Å; Y39-L45 HydrophobicContact CE2-CD1 3.86Å; Y39-L45 HydrophobicContact CG-CB 4.03Å; Y39-L45 HydrophobicContact CG-CD1 3.95Å; N41-L45 PolarHBondContact O-N 3.44Å; N41-L45 VanDerWaalsContact O-N 3.12Å; D42-L45 PolarHBondContact O-N 2.9Å; E43-L45 VanDerWaalsContact C-N 3.29Å; E43-L45 PolarHBondContact O-N 3.05Å; L45-K47 VanDerWaalsContact C-N 3.29Å; L45-K47 PolarHBondContact O-N 2.79Å; L45-A48 PolarHBondContact O-N 2.82Å; L45-A48 VanDerWaalsContact O-N 3.12Å; L45-A49 WeakPolarHBondContact O-CB 3.47Å; L45-A49 PolarHBondContact O-N 3.36Å; L45-I63 HydrophobicContact CD2-CD1 4.31Å; L45-I63 HydrophobicContact CD2-CG1 4.15Å; L45-I63 HydrophobicContact CD2-CG2 4.04Å; L45-I63 HydrophobicContact CG-CD1 4.04Å; L45-I63 HydrophobicContact CG-CG1 4.16Å; L45-S66 VanDerWaalsContact CD2-CB 3.42Å |
| 46 | L | 97.4 | Very high | 95.8 | Very high | 31 Ų | 31 | 83.9 Ų | 83.9 | 16% | 0.162 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -61.3 | -37.9 | 178.7 | -177 | 62.3 | 0 | 0 | 0 | 111.5 | V18 D42 E43 A48 A49 K50 A60 V61 I63 | V18-L46 HydrophobicContact CG1-CD1 4.47Å; D42-L46 WeakPolarHBondContact O-CB 3.39Å; D42-L46 PolarHBondContact O-N 2.88Å; E43-L46 PolarHBondContact O-N 3.35Å; L46-A48 VanDerWaalsContact C-N 3.32Å; L46-A48 PolarHBondContact O-N 3.27Å; L46-A49 PolarHBondContact O-N 2.82Å; L46-K50 HydrophobicContact CG-CD 4.44Å; L46-K50 WeakPolarHBondContact O-CB 3.44Å; L46-K50 WeakPolarHBondContact O-CG 3.19Å; L46-K50 PolarHBondContact O-N 3.49Å; L46-A60 HydrophobicContact CD1-CB 4.23Å; L46-V61 WeakPolarHBondContact CD2-O 3.41Å; L46-I63 HydrophobicContact CB-CD1 4.27Å; L46-I63 HydrophobicContact CB-CG1 4.09Å; L46-I63 HydrophobicContact CD1-CD1 4.03Å; L46-I63 HydrophobicContact CD1-CG1 4.38Å |
| 47 | K | 97.3 | Very high | 95.9 | Very high | 166 Ų | 166 | 82.8 Ų | 82.8 | 72% | 0.722 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -61.9 | -41 | 175.2 | -171.8 | 173.8 | -177.3 | 174.2 | 0 | 112.2 | E43 L45 A51 | E43-K47 PolarHBondContact O-N 3.42Å; L45-K47 VanDerWaalsContact C-N 3.29Å; L45-K47 PolarHBondContact O-N 2.79Å; K47-A51 PolarHBondContact O-N 3.12Å |
| 48 | A | 97 | Very high | 96.1 | Very high | 22 Ų | 22 | 74 Ų | 74 | 18% | 0.182 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -71.5 | -37.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L35 Y39 T44 L45 L46 A51 A52 | L35-A48 HydrophobicContact CD1-CB 3.98Å; Y39-A48 HydrophobicContact CD1-CB 4.43Å; Y39-A48 HydrophobicContact CE1-CB 3.42Å; Y39-A48 VanDerWaalsContact CE1-CB 3.42Å; Y39-A48 WeakPolarHBondContact OH-CB 3.22Å; T44-A48 PolarHBondContact O-N 2.81Å; L45-A48 PolarHBondContact O-N 2.82Å; L45-A48 VanDerWaalsContact O-N 3.12Å; L46-A48 VanDerWaalsContact C-N 3.32Å; L46-A48 PolarHBondContact O-N 3.27Å; A48-A51 PolarHBondContact O-N 3.29Å; A48-A52 PolarHBondContact O-N 2.92Å |
| 49 | A | 96.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V18 V33 L35 L45 L46 A51 A52 V53 I63 | V18-A49 HydrophobicContact CG1-CB 4.46Å; V18-A49 HydrophobicContact CG2-CB 3.87Å; V33-A49 HydrophobicContact CG2-CB 4.43Å; L35-A49 HydrophobicContact CD1-CB 4.23Å; L45-A49 WeakPolarHBondContact O-CB 3.47Å; L45-A49 PolarHBondContact O-N 3.36Å; L46-A49 PolarHBondContact O-N 2.82Å; A49-A51 VanDerWaalsContact C-N 3.35Å; A49-A51 PolarHBondContact O-N 2.77Å; A49-A52 CarbonylContact O-C 3.53Å; A49-A52 WeakPolarHBondContact O-CA 3.08Å; A49-A52 PolarHBondContact O-N 2.95Å; A49-V53 WeakPolarHBondContact O-CB 3.27Å; A49-V53 WeakPolarHBondContact O-CG2 3.37Å; A49-V53 PolarHBondContact O-N 2.8Å; A49-I63 HydrophobicContact CB-CD1 4.27Å |
| 50 | K | 96.9 | Very high | 96.2 | Very high | 86 Ų | 86 | 71 Ų | 71 | 37% | 0.374 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -55.7 | -47.8 | 173.1 | -79.8 | 178.7 | 172.7 | -173.9 | 0 | 111.8 | L46 A52 V53 D54 A60 | L46-K50 HydrophobicContact CG-CD 4.44Å; L46-K50 WeakPolarHBondContact O-CB 3.44Å; L46-K50 WeakPolarHBondContact O-CG 3.19Å; L46-K50 PolarHBondContact O-N 3.49Å; K50-A52 PolarHBondContact O-N 3.23Å; K50-A52 VanDerWaalsContact O-N 3.14Å; K50-V53 PolarHBondContact O-N 3.46Å; K50-D54 WeakPolarHBondContact CB-OD2 3.47Å; K50-D54 WeakPolarHBondContact CG-OD2 3.39Å; K50-D54 WeakPolarHBondContact O-CB 3.31Å; K50-D54 PolarHBondContact O-N 3.11Å; K50-A60 WeakPolarHBondContact CE-O 3.43Å; K50-A60 HydrophobicContact CG-CB 3.82Å |
| 51 | A | 96.5 | Very high | 96.3 | Very high | 94 Ų | 94 | 64.9 Ų | 64.9 | 78% | 0.777 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.6 | -22.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | K47 A48 A49 | K47-A51 PolarHBondContact O-N 3.12Å; A48-A51 PolarHBondContact O-N 3.29Å; A49-A51 VanDerWaalsContact C-N 3.35Å; A49-A51 PolarHBondContact O-N 2.77Å |
| 52 | A | 94.8 | Very high | 96.3 | Very high | 65 Ų | 65 | 63.4 Ų | 63.4 | 54% | 0.537 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -96.3 | -27.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | L35 A48 A49 K50 | L35-A52 HydrophobicContact CD2-CB 3.89Å; A48-A52 PolarHBondContact O-N 2.92Å; A49-A52 CarbonylContact O-C 3.53Å; A49-A52 WeakPolarHBondContact O-CA 3.08Å; A49-A52 PolarHBondContact O-N 2.95Å; K50-A52 PolarHBondContact O-N 3.23Å; K50-A52 VanDerWaalsContact O-N 3.14Å |
| 53 | V | 95.3 | Very high | 96.5 | Very high | 12 Ų | 12 | 60.4 Ų | 60.4 | 7% | 0.073 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -115.4 | -29.7 | -168.5 | -177.8 | 0 | 0 | 0 | 0 | 113.4 | K31 V33 A49 K50 T55 L58 | K31-V53 HydrophobicContact CD-CG1 4.04Å; V33-V53 HydrophobicContact CG1-CG2 3.28Å; A49-V53 WeakPolarHBondContact O-CB 3.27Å; A49-V53 WeakPolarHBondContact O-CG2 3.37Å; A49-V53 PolarHBondContact O-N 2.8Å; K50-V53 PolarHBondContact O-N 3.46Å; V53-T55 PolarHBondContact O-N 3.31Å; V53-L58 HydrophobicContact CG1-CD2 3.76Å |
| 54 | D | 96 | Very high | 96.5 | Very high | 61 Ų | 61 | 57.3 Ų | 57.3 | 33% | 0.326 | 34% | 0.336 | S | S | . | . | trans | -65.3 | 124.2 | -174 | -74.4 | -1.3 | 0 | 0 | 0 | 110.2 | K50 L58 K59 A60 | K50-D54 WeakPolarHBondContact CB-OD2 3.47Å; K50-D54 WeakPolarHBondContact CG-OD2 3.39Å; K50-D54 WeakPolarHBondContact O-CB 3.31Å; K50-D54 PolarHBondContact O-N 3.11Å; D54-L58 WeakPolarHBondContact CA-O 3.44Å; D54-K59 HydrophobicContact CB-CD 4.44Å; D54-A60 WeakPolarHBondContact OD1-CB 3.2Å; D54-A60 PolarHBondContact OD1-N 2.73Å | ||
| 55 | T | 96.1 | Very high | 96.4 | Very high | 69 Ų | 69 | 60.3 Ų | 60.3 | 42% | 0.423 | 34% | 0.344 | S | S | . | . | trans | -120 | -176.3 | 167.8 | 65.8 | 0 | 0 | 0 | 0 | 108.5 | V53 T57 L58 K59 | V53-T55 PolarHBondContact O-N 3.31Å; T55-T57 PolarHBondContact O-N 3.42Å; T55-T57 PolarHBondContact OG1-N 3.1Å; T55-T57 PolarHBondContact OG1-OG1 2.85Å; T55-L58 PolarHBondContact N-O 3.33Å; T55-L58 VanDerWaalsContact O-O 3.13Å; T55-L58 WeakPolarHBondContact OG1-CB 3.45Å; T55-L58 PolarHBondContact OG1-N 3.09Å; T55-K59 WeakPolarHBondContact O-CE 3.29Å; T55-K59 PolarHBondContact O-NZ 2.91Å | ||
| 56 | D | 95 | Very high | 96.4 | Very high | 151 Ų | 151 | 62.5 Ų | 62.5 | 81% | 0.807 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -64.9 | -31 | 175.1 | -65.6 | -31 | 0 | 0 | 0 | 112.1 | ||
| 57 | T | 95.3 | Very high | 96.4 | Very high | 48 Ų | 48 | 65.2 Ų | 65.2 | 29% | 0.294 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -101.4 | -17.9 | -175.7 | 59.2 | 0 | 0 | 0 | 0 | 113.5 | D22 I23 E24 T55 | D22-T57 CarbonylContact C-O 3.6Å; I23-T57 PolarHBondContact N-O 2.83Å; E24-T57 VanDerWaalsContact CD-CG2 3.48Å; E24-T57 HydrophobicContact CG-CG2 3.67Å; E24-T57 WeakPolarHBondContact OE1-CG2 2.99Å; T55-T57 PolarHBondContact O-N 3.42Å; T55-T57 PolarHBondContact OG1-N 3.1Å; T55-T57 PolarHBondContact OG1-OG1 2.85Å |
| 58 | L | 96.1 | Very high | 96.4 | Very high | 8 Ų | 8 | 61.1 Ų | 61.1 | 4% | 0.042 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 126.8 | -175.9 | -168.2 | 75.7 | 0 | 0 | 0 | 110.7 | C20 D22 C29 K31 V53 D54 T55 | C20-L58 HydrophobicContact CB-CD1 3.81Å; C20-L58 HydrophobicContact CB-CD2 4.42Å; C20-L58 HydrophobicContact CB-CG 4.02Å; D22-L58 HydrophobicContact CB-CD1 4.25Å; C29-L58 VanDerWaalsContact SG-CD1 3.59Å; K31-L58 HydrophobicContact CD-CD2 3.7Å; V53-L58 HydrophobicContact CG1-CD2 3.76Å; D54-L58 WeakPolarHBondContact CA-O 3.44Å; T55-L58 PolarHBondContact N-O 3.33Å; T55-L58 VanDerWaalsContact O-O 3.13Å; T55-L58 WeakPolarHBondContact OG1-CB 3.45Å; T55-L58 PolarHBondContact OG1-N 3.09Å |
| 59 | K | 97 | Very high | 96.4 | Very high | 80 Ų | 80 | 62.8 Ų | 62.8 | 35% | 0.348 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 128.6 | 178.3 | -60.7 | -61.3 | -178.1 | -162.8 | 0 | 111.6 | C20 L21 I23 D54 T55 | C20-K59 CarbonylContact C-O 3.45Å; C20-K59 WeakPolarHBondContact CA-O 3.43Å; L21-K59 PolarHBondContact N-O 3.03Å; L21-K59 PolarHBondContact O-N 2.96Å; I23-K59 HydrophobicContact CD1-CG 3.64Å; I23-K59 HydrophobicContact CG1-CG 4.42Å; D54-K59 HydrophobicContact CB-CD 4.44Å; T55-K59 WeakPolarHBondContact O-CE 3.29Å; T55-K59 PolarHBondContact O-NZ 2.91Å |
| 60 | A | 97.5 | Very high | 96.5 | Very high | 4 Ų | 4 | 69 Ų | 69 | 3% | 0.033 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 127 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V18 L46 K50 D54 | V18-A60 HydrophobicContact CG1-CB 3.55Å; L46-A60 HydrophobicContact CD1-CB 4.23Å; K50-A60 WeakPolarHBondContact CE-O 3.43Å; K50-A60 HydrophobicContact CG-CB 3.82Å; D54-A60 WeakPolarHBondContact OD1-CB 3.2Å; D54-A60 PolarHBondContact OD1-N 2.73Å |
| 61 | V | 96 | Very high | 96.4 | Very high | 81 Ų | 81 | 68.5 Ų | 68.5 | 49% | 0.491 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | -49.9 | -174.1 | -177.6 | 0 | 0 | 0 | 0 | 111 | L19 L21 L46 | L19-V61 PolarHBondContact O-N 2.75Å; L21-V61 HydrophobicContact CB-CG2 4Å; L46-V61 WeakPolarHBondContact CD2-O 3.41Å |
| 62 | S | 96.6 | Very high | 96.5 | Very high | 45 Ų | 45 | 70.1 Ų | 70.1 | 32% | 0.315 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 164 | -177 | 65.2 | 0 | 0 | 0 | 0 | 112.6 | L19 | L19-S62 PolarHBondContact N-O 2.83Å; L19-S62 PolarHBondContact O-N 3.02Å |
| 63 | I | 97.7 | Very high | 96.5 | Very high | 25 Ų | 25 | 71.1 Ų | 71.1 | 13% | 0.128 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 121.8 | 170.6 | -55.4 | -57.1 | 0 | 0 | 0 | 108 | A16 V18 D42 L45 L46 A49 | A16-I63 HydrophobicContact CB-CD1 4.36Å; V18-I63 HydrophobicContact CG1-CD1 4.41Å; V18-I63 HydrophobicContact CG2-CD1 3.93Å; D42-I63 HydrophobicContact CB-CB 4.36Å; D42-I63 HydrophobicContact CB-CG1 4.35Å; L45-I63 HydrophobicContact CD2-CD1 4.31Å; L45-I63 HydrophobicContact CD2-CG1 4.15Å; L45-I63 HydrophobicContact CD2-CG2 4.04Å; L45-I63 HydrophobicContact CG-CD1 4.04Å; L45-I63 HydrophobicContact CG-CG1 4.16Å; L46-I63 HydrophobicContact CB-CD1 4.27Å; L46-I63 HydrophobicContact CB-CG1 4.09Å; L46-I63 HydrophobicContact CD1-CD1 4.03Å; L46-I63 HydrophobicContact CD1-CG1 4.38Å; A49-I63 HydrophobicContact CB-CD1 4.27Å |
| 64 | S | 96 | Very high | 96.6 | Very high | 90 Ų | 90 | 72.8 Ų | 72.8 | 63% | 0.629 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.2 | -39.6 | 175.1 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | C17 | C17-S64 PolarHBondContact O-N 3.41Å |
| 65 | K | 96.8 | Very high | 96.6 | Very high | 125 Ų | 125 | 73.3 Ų | 73.3 | 54% | 0.543 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 143.2 | -180 | -176.7 | -179.9 | 177.7 | -176.5 | 0 | 109.2 | A16 C17 W67 | A16-K65 CarbonylContact C-O 3.52Å; A16-K65 VanDerWaalsContact CA-O 3.31Å; A16-K65 WeakPolarHBondContact CA-O 3.48Å; C17-K65 HydrophobicContact CB-CB 4.1Å; C17-K65 PolarHBondContact N-O 2.85Å; C17-K65 PolarHBondContact O-N 3.36Å; K65-W67 HydrophobicContact CD-CE3 4.31Å; K65-W67 HydrophobicContact CD-CZ3 4.22Å; K65-W67 HydrophobicContact CG-CE3 4.2Å; K65-W67 HydrophobicContact CG-CZ3 4.35Å |
| 66 | S | 97.2 | Very high | 96.7 | Very high | 49 Ų | 49 | 72.4 Ų | 72.4 | 34% | 0.343 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 150 | 170.3 | 66.4 | 0 | 0 | 0 | 0 | 111.1 | Q15 L45 | Q15-S66 CarbonylContact O-C 3.54Å; Q15-S66 WeakPolarHBondContact O-CA 3.15Å; L45-S66 VanDerWaalsContact CD2-CB 3.42Å |
| 67 | W | 97.4 | Very high | 96.7 | Very high | 89 Ų | 89 | 69.1 Ų | 69.1 | 34% | 0.337 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 159.1 | 170.8 | 69 | 97.6 | 0 | 0 | 0 | 110.7 | T14 Q15 K65 | T14-W67 CarbonylContact C-O 3.56Å; T14-W67 WeakPolarHBondContact CA-O 3.36Å; Q15-W67 HydrophobicContact CB-CD2 3.59Å; Q15-W67 HydrophobicContact CB-CE3 3.89Å; Q15-W67 HydrophobicContact CB-CG 4.24Å; Q15-W67 HydrophobicContact CB-CH2 3.65Å; Q15-W67 HydrophobicContact CB-CZ2 3.32Å; Q15-W67 HydrophobicContact CB-CZ3 3.92Å; Q15-W67 HydrophobicContact CG-CD2 4.31Å; Q15-W67 HydrophobicContact CG-CH2 4.35Å; Q15-W67 HydrophobicContact CG-CZ2 3.59Å; Q15-W67 PolarHBondContact N-O 2.77Å; Q15-W67 PolarHBondContact O-N 3.42Å; K65-W67 HydrophobicContact CD-CE3 4.31Å; K65-W67 HydrophobicContact CD-CZ3 4.22Å; K65-W67 HydrophobicContact CG-CE3 4.2Å; K65-W67 HydrophobicContact CG-CZ3 4.35Å |
| 68 | V | 97.6 | Very high | 96.8 | Very high | 80 Ų | 80 | 72.5 Ų | 72.5 | 49% | 0.485 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 134.1 | 177.2 | 177.1 | 0 | 0 | 0 | 0 | 109 | K12 V13 T38 | K12-V68 HydrophobicContact CB-CG1 4.24Å; K12-V68 HydrophobicContact CG-CG1 4.47Å; V13-V68 WeakPolarHBondContact O-CA 3.2Å; T38-V68 HydrophobicContact CG2-CB 4.45Å; T38-V68 HydrophobicContact CG2-CG1 3.64Å; T38-V68 HydrophobicContact CG2-CG2 3.88Å |
| 69 | E | 97.1 | Very high | 96.8 | Very high | 57 Ų | 57 | 77 Ų | 77 | 27% | 0.266 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 151.9 | 173.3 | 64.2 | -175.8 | -169.7 | 0 | 0 | 110.6 | K12 V13 Q15 K71 | K12-E69 WeakPolarHBondContact CA-O 3.34Å; V13-E69 HydrophobicContact CG2-CG 3.53Å; V13-E69 PolarHBondContact N-O 3.46Å; V13-E69 PolarHBondContact O-N 3.35Å; Q15-E69 HydrophobicContact CG-CG 4.31Å; Q15-E69 PolarHBondContact NE2-OE1 2.96Å; E69-K71 HydrophobicContact CG-CG 4.36Å; E69-K71 WeakPolarHBondContact OE1-CD 3.43Å; E69-K71 WeakPolarHBondContact OE1-CE 3.46Å; E69-K71 IonicContact OE1-NZ 2.69Å; E69-K71 PolarHBondContact OE1-NZ 2.84Å |
| 70 | E | 97.2 | Very high | 96.9 | Very high | 129 Ų | 129 | 77.6 Ų | 77.6 | 60% | 0.603 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 127 | 169.6 | -74.5 | -174.5 | -177.4 | 0 | 0 | 109.4 | T10 K12 | T10-E70 HydrophobicContact CG2-CB 4.22Å; K12-E70 WeakPolarHBondContact CE-OE1 2.89Å; K12-E70 HydrophobicContact CG-CG 3.67Å; K12-E70 IonicContact NZ-OE1 3.72Å |
| 71 | K | 96.2 | Very high | 96.8 | Very high | 77 Ų | 77 | 83.2 Ų | 83.2 | 34% | 0.335 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 128.2 | 175.9 | -82.5 | -176 | 159.1 | 153 | 0 | 110.5 | T10 I11 V13 Q15 E69 L73 | T10-K71 WeakPolarHBondContact CA-O 3.32Å; I11-K71 PolarHBondContact N-O 2.96Å; I11-K71 PolarHBondContact O-N 3.3Å; V13-K71 HydrophobicContact CG2-CD 3.95Å; V13-K71 HydrophobicContact CG2-CG 4.26Å; Q15-K71 VanDerWaalsContact NE2-NZ 3.12Å; E69-K71 HydrophobicContact CG-CG 4.36Å; E69-K71 WeakPolarHBondContact OE1-CD 3.43Å; E69-K71 WeakPolarHBondContact OE1-CE 3.46Å; E69-K71 IonicContact OE1-NZ 2.69Å; E69-K71 PolarHBondContact OE1-NZ 2.84Å; K71-L73 HydrophobicContact CB-CD2 4.29Å; K71-L73 HydrophobicContact CB-CG 4.32Å; K71-L73 PolarHBondContact O-N 3.45Å |
| 72 | L | 97.4 | Very high | 96.9 | Very high | 127 Ų | 127 | 83 Ų | 83 | 67% | 0.665 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 110.8 | 166.1 | 177.3 | 61.5 | 0 | 0 | 0 | 108.2 | ||
| 73 | L | 96 | Very high | 96.9 | Very high | 86 Ų | 86 | 86.9 Ų | 86.9 | 45% | 0.45 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 148.6 | 177.9 | -60.3 | 177 | 0 | 0 | 0 | 109.6 | T8 R9 K71 | T8-L73 CarbonylContact C-O 3.6Å; T8-L73 VanDerWaalsContact CA-O 3.26Å; T8-L73 WeakPolarHBondContact CA-O 3.4Å; R9-L73 PolarHBondContact N-O 3.19Å; R9-L73 PolarHBondContact O-N 2.8Å; K71-L73 HydrophobicContact CB-CD2 4.29Å; K71-L73 HydrophobicContact CB-CG 4.32Å; K71-L73 PolarHBondContact O-N 3.45Å |
| 74 | G | 96.1 | Very high | 96.8 | Very high | 48 Ų | 48 | 87.8 Ų | 87.8 | 50% | 0.495 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 156.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V7 | V7-G74 CarbonylContact O-C 3.52Å; V7-G74 WeakPolarHBondContact O-CA 3.34Å |
| 75 | M | 96.7 | Very high | 96.8 | Very high | 71 Ų | 71 | 89.4 Ų | 89.4 | 35% | 0.35 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 156.1 | 175.7 | 58.6 | -179.7 | 48 | 0 | 0 | 110.3 | V7 F79 F80 | V7-M75 PolarHBondContact N-O 3.27Å; V7-M75 PolarHBondContact O-N 2.68Å; M75-F79 HydrophobicContact CB-CD1 4.28Å; M75-F79 HydrophobicContact CE-CD1 3.94Å; M75-F79 HydrophobicContact CE-CE1 3.87Å; M75-F79 HydrophobicContact CG-CD1 4.44Å; M75-F79 HydrophobicContact SD-CD1 3.64Å; M75-F79 HydrophobicContact SD-CE1 4.13Å; M75-F80 HydrophobicContact CG-CB 4.26Å; M75-F80 HydrophobicContact SD-CB 3.99Å; M75-F80 HydrophobicContact SD-CD2 4.08Å |
| 76 | P | 97.3 | Very high | 96.6 | Very high | 51 Ų | 51 | 91.2 Ų | 91.2 | 33% | 0.331 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 144.7 | 173.7 | -23.2 | 34.2 | 0 | 0 | 0 | 111.8 | M6 D78 F79 F80 | M6-P76 HydrophobicContact SD-CB 4.44Å; M6-P76 HydrophobicContact SD-CG 4.22Å; P76-D78 VanDerWaalsContact C-N 3.29Å; P76-D78 PolarHBondContact O-N 2.9Å; P76-F79 HydrophobicContact CB-CB 4.44Å; P76-F79 PolarHBondContact O-N 3.3Å; P76-F79 VanDerWaalsContact O-N 3.11Å; P76-F80 PolarHBondContact O-N 3.25Å |
| 77 | E | 96.6 | Very high | 96.3 | Very high | 82 Ų | 82 | 96.1 Ų | 96.1 | 38% | 0.383 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.1 | -40.3 | 177.8 | -82.1 | -179.3 | 179.5 | 0 | 0 | 112.7 | P5 V7 F79 F80 I81 | P5-E77 HydrophobicContact CB-CG 4.2Å; P5-E77 WeakPolarHBondContact CB-OE2 3.17Å; P5-E77 HydrophobicContact CG-CB 4.32Å; P5-E77 HydrophobicContact CG-CG 4.4Å; P5-E77 WeakPolarHBondContact CG-OE2 3.18Å; P5-E77 PolarHBondContact O-N 2.93Å; V7-E77 HydrophobicContact CG2-CB 4.49Å; V7-E77 HydrophobicContact CG2-CG 3.62Å; E77-F79 VanDerWaalsContact C-N 3.27Å; E77-F79 PolarHBondContact O-N 3.16Å; E77-F80 WeakPolarHBondContact O-CB 3.4Å; E77-F80 PolarHBondContact O-N 3.31Å; E77-F80 VanDerWaalsContact O-N 3.09Å; E77-I81 VanDerWaalsContact O-CG1 3.29Å; E77-I81 WeakPolarHBondContact O-CG1 3.26Å; E77-I81 PolarHBondContact O-N 2.87Å |
| 78 | D | 96.4 | Very high | 96 | Very high | 119 Ų | 119 | 98.1 Ų | 98.1 | 64% | 0.636 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.1 | -40.5 | 177.8 | -57.1 | -25.7 | 0 | 0 | 0 | 112 | P76 A82 | P76-D78 VanDerWaalsContact C-N 3.29Å; P76-D78 PolarHBondContact O-N 2.9Å; D78-A82 WeakPolarHBondContact O-CB 3.38Å; D78-A82 PolarHBondContact O-N 2.95Å; D78-A82 VanDerWaalsContact O-N 3.1Å |
| 79 | F | 97.1 | Very high | 95.3 | Very high | 101 Ų | 101 | 105.1 Ų | 105.1 | 44% | 0.443 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.2 | -39.9 | 177.2 | -174.8 | -86.3 | 0 | 0 | 0 | 110.9 | M75 P76 E77 A82 H83 | M75-F79 HydrophobicContact CB-CD1 4.28Å; M75-F79 HydrophobicContact CE-CD1 3.94Å; M75-F79 HydrophobicContact CE-CE1 3.87Å; M75-F79 HydrophobicContact CG-CD1 4.44Å; M75-F79 HydrophobicContact SD-CD1 3.64Å; M75-F79 HydrophobicContact SD-CE1 4.13Å; P76-F79 HydrophobicContact CB-CB 4.44Å; P76-F79 PolarHBondContact O-N 3.3Å; P76-F79 VanDerWaalsContact O-N 3.11Å; E77-F79 VanDerWaalsContact C-N 3.27Å; E77-F79 PolarHBondContact O-N 3.16Å; F79-A82 PolarHBondContact O-N 2.69Å; F79-H83 AromaticContact CD1-ND1 3.81Å; F79-H83 AromaticContact CD2-CE1 3.53Å; F79-H83 AromaticContact CD2-ND1 3.82Å; F79-H83 AromaticContact CE1-CE1 3.99Å; F79-H83 AromaticContact CE1-ND1 3.69Å; F79-H83 AromaticContact CE2-CE1 3.19Å; F79-H83 WeakPolarHBondContact CE2-CE1 3.26Å; F79-H83 AromaticContact CE2-ND1 3.7Å; F79-H83 AromaticContact CE2-NE2 3.82Å; F79-H83 AromaticContact CG-ND1 3.88Å; F79-H83 AromaticContact CZ-CE1 3.44Å; F79-H83 VanDerWaalsContact CZ-CE1 3.44Å; F79-H83 WeakPolarHBondContact CZ-CE1 3.38Å; F79-H83 AromaticContact CZ-ND1 3.63Å; F79-H83 AromaticContact CZ-NE2 3.82Å; F79-H83 PolarHBondContact O-N 3.05Å; F79-H83 PolarHBondContact O-ND1 3.18Å |
| 80 | F | 97.1 | Very high | 94.4 | Very high | 93 Ų | 93 | 113.7 Ų | 113.7 | 41% | 0.408 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.1 | -49.2 | 175.6 | 178.7 | -97.4 | 0 | 0 | 0 | 111.2 | V7 M75 P76 E77 A82 H83 A84 | V7-F80 HydrophobicContact CB-CB 4.44Å; V7-F80 HydrophobicContact CB-CD2 4.48Å; V7-F80 HydrophobicContact CB-CG 4.38Å; V7-F80 HydrophobicContact CG1-CD2 4.17Å; V7-F80 HydrophobicContact CG1-CE2 4.38Å; V7-F80 HydrophobicContact CG1-CG 4.43Å; V7-F80 HydrophobicContact CG2-CB 3.88Å; V7-F80 HydrophobicContact CG2-CD1 4.07Å; V7-F80 HydrophobicContact CG2-CD2 4.4Å; V7-F80 HydrophobicContact CG2-CG 3.85Å; M75-F80 HydrophobicContact CG-CB 4.26Å; M75-F80 HydrophobicContact SD-CB 3.99Å; M75-F80 HydrophobicContact SD-CD2 4.08Å; P76-F80 PolarHBondContact O-N 3.25Å; E77-F80 WeakPolarHBondContact O-CB 3.4Å; E77-F80 PolarHBondContact O-N 3.31Å; E77-F80 VanDerWaalsContact O-N 3.09Å; F80-A82 VanDerWaalsContact C-N 3.28Å; F80-A82 PolarHBondContact O-N 2.77Å; F80-H83 PolarHBondContact O-N 2.92Å; F80-A84 HydrophobicContact CD1-CB 4.25Å; F80-A84 HydrophobicContact CD2-CB 4.39Å; F80-A84 HydrophobicContact CE1-CB 3.95Å; F80-A84 HydrophobicContact CE2-CB 4.1Å; F80-A84 HydrophobicContact CG-CB 4.47Å; F80-A84 HydrophobicContact CZ-CB 3.88Å; F80-A84 WeakPolarHBondContact O-CB 3.09Å; F80-A84 PolarHBondContact O-N 3.32Å |
| 81 | I | 96.6 | Very high | 93.1 | Very high | 122 Ų | 122 | 116.7 Ų | 116.7 | 63% | 0.626 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -60.1 | -39 | -179.9 | -67.3 | 164.5 | 0 | 0 | 0 | 111.1 | E77 H83 | E77-I81 VanDerWaalsContact O-CG1 3.29Å; E77-I81 WeakPolarHBondContact O-CG1 3.26Å; E77-I81 PolarHBondContact O-N 2.87Å; I81-H83 VanDerWaalsContact C-N 3.35Å; I81-H83 PolarHBondContact O-N 3.17Å |
| 82 | A | 97.5 | Very high | 91.8 | Very high | 76 Ų | 76 | 118.9 Ų | 118.9 | 63% | 0.628 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69.7 | -25.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D78 F79 F80 | D78-A82 WeakPolarHBondContact O-CB 3.38Å; D78-A82 PolarHBondContact O-N 2.95Å; D78-A82 VanDerWaalsContact O-N 3.1Å; F79-A82 PolarHBondContact O-N 2.69Å; F80-A82 VanDerWaalsContact C-N 3.28Å; F80-A82 PolarHBondContact O-N 2.77Å |
| 83 | H | 97.5 | Very high | 90.2 | Very high | 128 Ų | 128 | 120.5 Ų | 120.5 | 59% | 0.593 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -114.8 | -13.4 | -173.6 | -61.4 | 83.7 | 0 | 0 | 0 | 113.9 | F79 F80 I81 | F79-H83 AromaticContact CD1-ND1 3.81Å; F79-H83 AromaticContact CD2-CE1 3.53Å; F79-H83 AromaticContact CD2-ND1 3.82Å; F79-H83 AromaticContact CE1-CE1 3.99Å; F79-H83 AromaticContact CE1-ND1 3.69Å; F79-H83 AromaticContact CE2-CE1 3.19Å; F79-H83 WeakPolarHBondContact CE2-CE1 3.26Å; F79-H83 AromaticContact CE2-ND1 3.7Å; F79-H83 AromaticContact CE2-NE2 3.82Å; F79-H83 AromaticContact CG-ND1 3.88Å; F79-H83 AromaticContact CZ-CE1 3.44Å; F79-H83 VanDerWaalsContact CZ-CE1 3.44Å; F79-H83 WeakPolarHBondContact CZ-CE1 3.38Å; F79-H83 AromaticContact CZ-ND1 3.63Å; F79-H83 AromaticContact CZ-NE2 3.82Å; F79-H83 PolarHBondContact O-N 3.05Å; F79-H83 PolarHBondContact O-ND1 3.18Å; F80-H83 PolarHBondContact O-N 2.92Å; I81-H83 VanDerWaalsContact C-N 3.35Å; I81-H83 PolarHBondContact O-N 3.17Å |
| 84 | A | 96.1 | Very high | 88.5 | Confident | 44 Ų | 44 | 120.8 Ų | 120.8 | 36% | 0.364 | 64% | 0.641 | S | S | . | * | trans | -80.1 | 158.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F80 | F80-A84 HydrophobicContact CD1-CB 4.25Å; F80-A84 HydrophobicContact CD2-CB 4.39Å; F80-A84 HydrophobicContact CE1-CB 3.95Å; F80-A84 HydrophobicContact CE2-CB 4.1Å; F80-A84 HydrophobicContact CG-CB 4.47Å; F80-A84 HydrophobicContact CZ-CB 3.88Å; F80-A84 WeakPolarHBondContact O-CB 3.09Å; F80-A84 PolarHBondContact O-N 3.32Å | ||
| 85 | T | 95.6 | Very high | 86.6 | Confident | 124 Ų | 124 | 127.5 Ų | 127.5 | 76% | 0.761 | 66% | 0.66 | S | S | * | * | trans | -114.3 | 140.6 | 170.8 | 55.9 | 0 | 0 | 0 | 0 | 109.8 | I87 | T85-I87 PolarHBondContact O-N 2.92Š| ||
| 86 | D | 92.8 | Very high | 84.8 | Confident | 162 Ų | 162 | 131.5 Ų | 131.5 | 87% | 0.866 | 68% | 0.681 | S | S | * | * | trans | -60 | 133.6 | 178.5 | -74.7 | -27.3 | 0 | 0 | 0 | 112.5 | ||||
| 87 | I | 90.8 | Very high | 82.8 | Confident | 153 Ų | 153 | 134.5 Ų | 134.5 | 79% | 0.785 | 70% | 0.7 | S | S | * | * | trans | -96.9 | 101.7 | 175.5 | -57.9 | 177.5 | 0 | 0 | 0 | 108.6 | T85 R89 | T85-I87 PolarHBondContact O-N 2.92Å; I87-R89 PolarHBondContact O-N 3.04Å | ||
| 88 | V | 89.7 | Confident | 81.2 | Confident | 131 Ų | 131 | 140.4 Ų | 140.4 | 79% | 0.794 | 73% | 0.725 | S | S | * | * | trans | -77.6 | 108.9 | 169.8 | -174.8 | 0 | 0 | 0 | 0 | 108.7 | R90 | V88-R90 PolarHBondContact O-N 3.26Å; V88-R90 VanDerWaalsContact O-N 3.16Å | ||
| 89 | R | 83.1 | Confident | 79.5 | Confident | 226 Ų | 226 | 143.2 Ų | 143.2 | 85% | 0.853 | 73% | 0.734 | S | S | * | * | trans | -66.4 | 115.2 | 171.6 | -66 | -173.3 | -176.7 | -162.9 | 2 | 108.3 | I87 K91 | I87-R89 PolarHBondContact O-N 3.04Å; R89-K91 PolarHBondContact O-N 3.09Å | ||
| 90 | R | 78.7 | Confident | 77.9 | Confident | 238 Ų | 238 | 143.8 Ų | 143.8 | 90% | 0.898 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 124.2 | 166.9 | -65.4 | -177.6 | -177.1 | 174.5 | 0.2 | 107.1 | V88 | V88-R90 PolarHBondContact O-N 3.26Å; V88-R90 VanDerWaalsContact O-N 3.16Å |
| 91 | K | 70.6 | Confident | 76.2 | Confident | 192 Ų | 192 | 150.7 Ų | 150.7 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 133.5 | 165.6 | -75.5 | 179.8 | -179.7 | 172.8 | 0 | 106.5 | R89 D93 | R89-K91 PolarHBondContact O-N 3.09Å; K91-D93 PolarHBondContact O-N 3.45Å |
| 92 | P | 68.9 | Low | 74.7 | Confident | 122 Ų | 122 | 151.9 Ų | 151.9 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 131.8 | 171.3 | 22.5 | -27.7 | 0 | 0 | 0 | 107.7 | A94 | P92-A94 PolarHBondContact O-N 3.37Š|
| 93 | D | 63.7 | Low | 73.5 | Confident | 162 Ų | 162 | 154.3 Ų | 154.3 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 125 | 178.7 | -67 | -43.9 | 0 | 0 | 0 | 108.4 | K91 E95 | K91-D93 PolarHBondContact O-N 3.45Å; D93-E95 PolarHBondContact O-N 3.41Å |
| 94 | A | 58.7 | Low | 72 | Confident | 91 Ų | 91 | 161 Ų | 161 | 75% | 0.752 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -53 | 126.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | P92 I96 | P92-A94 PolarHBondContact O-N 3.37Å; A94-I96 PolarHBondContact O-N 3.22Å |
| 95 | E | 56.6 | Low | 70.8 | Confident | 190 Ų | 190 | 166.9 Ų | 166.9 | 89% | 0.888 | 84% | 0.842 | S | S | * | * | trans | -45.4 | 107 | 176.6 | -116.4 | 174.3 | 160.3 | 0 | 0 | 109.7 | D93 P97 | D93-E95 PolarHBondContact O-N 3.41Å; E95-P97 VanDerWaalsContact O-CD 3.26Å; E95-P97 WeakPolarHBondContact O-CD 2.88Å | ||
| 96 | I | 59.3 | Low | 69.5 | Low | 154 Ų | 154 | 169.1 Ų | 169.1 | 79% | 0.79 | 85% | 0.847 | S | S | * | * | trans | -62.6 | 118.7 | 170.7 | -60.7 | 170 | 0 | 0 | 0 | 105.6 | A94 K98 | A94-I96 PolarHBondContact O-N 3.22Å; I96-K98 PolarHBondContact O-N 2.85Å | ||
| 97 | P | 56.3 | Low | 68.2 | Low | 114 Ų | 114 | 169.5 Ų | 169.5 | 74% | 0.74 | 85% | 0.846 | S | S | * | * | trans | -57.2 | 118.1 | -179.2 | -23.3 | 33.1 | 0 | 0 | 0 | 109.5 | E95 Q99 | E95-P97 VanDerWaalsContact O-CD 3.26Å; E95-P97 WeakPolarHBondContact O-CD 2.88Å; P97-Q99 PolarHBondContact O-N 2.98Å; P97-Q99 VanDerWaalsContact O-N 3.09Å | ||
| 98 | K | 61.5 | Low | 66.9 | Low | 207 Ų | 207 | 170.5 Ų | 170.5 | 90% | 0.9 | 85% | 0.849 | S | S | * | * | trans | -63.3 | 112.7 | 171.2 | -69.1 | 177.4 | -178.2 | 170.7 | 0 | 107 | I96 | I96-K98 PolarHBondContact O-N 2.85Š| ||
| 99 | Q | 62.3 | Low | 65.5 | Low | 177 Ų | 177 | 172.9 Ų | 172.9 | 83% | 0.827 | 85% | 0.853 | S | S | * | * | trans | -58.2 | 137.9 | 172.5 | -71.2 | -173 | -1.4 | 0 | 0 | 109 | P97 R101 | P97-Q99 PolarHBondContact O-N 2.98Å; P97-Q99 VanDerWaalsContact O-N 3.09Å; Q99-R101 PolarHBondContact O-N 2.93Å | ||
| 100 | P | 63.6 | Low | 64.3 | Low | 114 Ų | 114 | 169.4 Ų | 169.4 | 74% | 0.74 | 85% | 0.853 | S | S | * | * | trans | -56.2 | 128.3 | 176.3 | -19.3 | 30.2 | 0 | 0 | 0 | 109.3 | D102 | P100-D102 PolarHBondContact O-N 3.49Š| ||
| 101 | R | 59.4 | Low | 63.2 | Low | 238 Ų | 238 | 164.5 Ų | 164.5 | 90% | 0.898 | 85% | 0.849 | S | S | * | * | trans | -78.6 | 115 | 164.3 | -77.8 | -176.8 | -78 | -176.7 | -2.6 | 106.3 | Q99 | Q99-R101 PolarHBondContact O-N 2.93Š| ||
| 102 | D | 66.6 | Low | 62.7 | Low | 146 Ų | 146 | 162.4 Ų | 162.4 | 78% | 0.781 | 85% | 0.85 | S | S | * | * | trans | -56.9 | 132.5 | 172.9 | -71.8 | -44.3 | 0 | 0 | 0 | 109.6 | P100 Q104 | P100-D102 PolarHBondContact O-N 3.49Å; D102-Q104 PolarHBondContact O-N 2.93Å | ||
| 103 | P | 72.3 | Confident | 62.2 | Low | 127 Ų | 127 | 165.8 Ų | 165.8 | 83% | 0.825 | 86% | 0.855 | S | S | * | * | trans | -66 | 126.7 | 172.3 | -14.6 | 28.2 | 0 | 0 | 0 | 109.9 | ||||
| 104 | Q | 65.7 | Low | 62 | Low | 269 Ų | 269 | 166.1 Ų | 166.1 | 100% | 1.257 | 85% | 0.854 | S | S | * | * | trans | -71 | 0 | 161.9 | -76 | -174.3 | -67 | 0 | 0 | 111 | D102 | D102-Q104 PolarHBondContact O-N 2.93Š|
Retrieved 104 of 104 residues in 113.6 ms
(Link to these results)