| 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 | 52.7 | Low | 73.9 | Confident | 209 Ų | 209 | 126.2 Ų | 126.2 | 100% | 1.03 | 65% | 0.652 | S | S | * | * | 0 | -36.6 | 0 | -68.7 | 169.6 | -153.6 | 0 | 0 | 112.9 | S3 R4 W5 | M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 2.75Å; M1-R4 PolarHBondContact O-N 3.29Å; M1-W5 VanDerWaalsContact O-CD1 3.29Å | |||
| 2 | A | 59.3 | Low | 74.6 | Confident | 83 Ų | 83 | 123.9 Ų | 123.9 | 69% | 0.686 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -58.4 | -33.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116 | R4 W5 A6 | A2-R4 PolarHBondContact O-N 2.81Å; A2-W5 PolarHBondContact O-N 2.93Å; A2-A6 PolarHBondContact O-N 2.94Å |
| 3 | S | 67.4 | Low | 75 | Confident | 89 Ų | 89 | 118.6 Ų | 118.6 | 62% | 0.622 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -65.4 | -32.4 | -176.8 | 166.1 | 0 | 0 | 0 | 0 | 114.2 | M1 W5 A6 V7 | M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 2.75Å; S3-W5 VanDerWaalsContact C-N 3.34Å; S3-W5 PolarHBondContact O-N 3.05Å; S3-A6 PolarHBondContact O-N 2.7Å; S3-V7 WeakPolarHBondContact O-CG2 3.14Å; S3-V7 PolarHBondContact O-N 3.4Å |
| 4 | R | 74.3 | Confident | 75.1 | Confident | 207 Ų | 207 | 114.7 Ų | 114.7 | 78% | 0.781 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.9 | -33.8 | -178.8 | -65.3 | -177.9 | 78 | -177.1 | 3.5 | 112.4 | M1 A2 Q8 | M1-R4 PolarHBondContact O-N 3.29Å; A2-R4 PolarHBondContact O-N 2.81Å; R4-Q8 WeakPolarHBondContact O-CG 3.23Å; R4-Q8 PolarHBondContact O-N 3.46Å |
| 5 | W | 73.9 | Confident | 75 | Confident | 193 Ų | 193 | 121.9 Ų | 121.9 | 73% | 0.731 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -72 | -38.7 | 178.2 | -63.2 | 84.7 | 0 | 0 | 0 | 111.7 | M1 A2 S3 V7 Q8 L9 | M1-W5 VanDerWaalsContact O-CD1 3.29Å; A2-W5 PolarHBondContact O-N 2.93Å; S3-W5 VanDerWaalsContact C-N 3.34Å; S3-W5 PolarHBondContact O-N 3.05Å; W5-V7 PolarHBondContact O-N 2.86Å; W5-Q8 PolarHBondContact O-N 3.47Å; W5-L9 PolarHBondContact O-N 2.94Å |
| 6 | A | 78.7 | Confident | 74.7 | Confident | 51 Ų | 51 | 120.3 Ų | 120.3 | 42% | 0.421 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -62.9 | -41.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | A2 S3 L9 L10 | A2-A6 PolarHBondContact O-N 2.94Å; S3-A6 PolarHBondContact O-N 2.7Å; A6-L9 PolarHBondContact O-N 3.46Å; A6-L10 WeakPolarHBondContact O-CG 3.12Å; A6-L10 PolarHBondContact O-N 2.8Å; A6-L10 VanDerWaalsContact O-N 3.15Å |
| 7 | V | 81.7 | Confident | 74.1 | Confident | 77 Ų | 77 | 122.8 Ų | 122.8 | 47% | 0.467 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -65.6 | -40.8 | 177.3 | 173.8 | 0 | 0 | 0 | 0 | 111.7 | S3 W5 L10 L11 | S3-V7 WeakPolarHBondContact O-CG2 3.14Å; S3-V7 PolarHBondContact O-N 3.4Å; W5-V7 PolarHBondContact O-N 2.86Å; V7-L10 PolarHBondContact O-N 3.28Å; V7-L11 HydrophobicContact CG1-CD1 3.9Å; V7-L11 WeakPolarHBondContact O-CD1 3.15Å; V7-L11 WeakPolarHBondContact O-CG 3.11Å; V7-L11 PolarHBondContact O-N 3.45Å; V7-L11 VanDerWaalsContact O-N 3.12Å |
| 8 | Q | 80.4 | Confident | 73.3 | Confident | 135 Ų | 135 | 119.6 Ų | 119.6 | 63% | 0.631 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -63 | -42.4 | 176.9 | -69.6 | -100.5 | -34.6 | 0 | 0 | 112.1 | R4 W5 L10 L11 V12 | R4-Q8 WeakPolarHBondContact O-CG 3.23Å; R4-Q8 PolarHBondContact O-N 3.46Å; W5-Q8 PolarHBondContact O-N 3.47Å; Q8-L10 PolarHBondContact O-N 3.25Å; Q8-L11 PolarHBondContact O-N 3.01Å; Q8-V12 WeakPolarHBondContact O-CG2 3.32Å; Q8-V12 PolarHBondContact O-N 3.18Å; Q8-V12 VanDerWaalsContact O-N 3.16Å |
| 9 | L | 83.6 | Confident | 72.7 | Confident | 129 Ų | 129 | 120 Ų | 120 | 68% | 0.675 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -63.3 | -40.2 | 177 | -80.5 | 160.3 | 0 | 0 | 0 | 112.5 | W5 A6 V12 A13 | W5-L9 PolarHBondContact O-N 2.94Å; A6-L9 PolarHBondContact O-N 3.46Å; L9-V12 PolarHBondContact O-N 2.81Å; L9-A13 PolarHBondContact O-N 3.49Å; L9-A13 VanDerWaalsContact O-N 3.08Å |
| 10 | L | 80.9 | Confident | 72.3 | Confident | 125 Ų | 125 | 117.8 Ų | 117.8 | 65% | 0.654 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -66.1 | -38.4 | 177.6 | -71.3 | 168.7 | 0 | 0 | 0 | 112.5 | A6 V7 Q8 A13 A14 | A6-L10 WeakPolarHBondContact O-CG 3.12Å; A6-L10 PolarHBondContact O-N 2.8Å; A6-L10 VanDerWaalsContact O-N 3.15Å; V7-L10 PolarHBondContact O-N 3.28Å; Q8-L10 PolarHBondContact O-N 3.25Å; L10-A13 PolarHBondContact O-N 2.7Å; L10-A14 PolarHBondContact O-N 2.03Å |
| 11 | L | 79.7 | Confident | 72.3 | Confident | 90 Ų | 90 | 119.6 Ų | 119.6 | 47% | 0.471 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -65.2 | -42.1 | 177.1 | -77 | 157 | 0 | 0 | 0 | 112 | V7 Q8 A14 W15 | V7-L11 HydrophobicContact CG1-CD1 3.9Å; V7-L11 WeakPolarHBondContact O-CD1 3.15Å; V7-L11 WeakPolarHBondContact O-CG 3.11Å; V7-L11 PolarHBondContact O-N 3.45Å; V7-L11 VanDerWaalsContact O-N 3.12Å; Q8-L11 PolarHBondContact O-N 3.01Å; L11-A14 PolarHBondContact O-N 2.82Å; L11-W15 PolarHBondContact O-N 3.03Å |
| 12 | V | 83 | Confident | 73.8 | Confident | 99 Ų | 99 | 111.3 Ų | 111.3 | 60% | 0.6 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.8 | -41 | 176.9 | 175 | 0 | 0 | 0 | 0 | 111.2 | Q8 L9 W15 S16 | Q8-V12 WeakPolarHBondContact O-CG2 3.32Å; Q8-V12 PolarHBondContact O-N 3.18Å; Q8-V12 VanDerWaalsContact O-N 3.16Å; L9-V12 PolarHBondContact O-N 2.81Å; V12-W15 PolarHBondContact O-N 3.16Å; V12-S16 PolarHBondContact O-N 2.89Å; V12-S16 VanDerWaalsContact O-N 3.12Å |
| 13 | A | 79.5 | Confident | 75.5 | Confident | 55 Ų | 55 | 108.4 Ų | 108.4 | 46% | 0.455 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.2 | -42.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | L9 L10 W15 S16 | L9-A13 PolarHBondContact O-N 3.49Å; L9-A13 VanDerWaalsContact O-N 3.08Å; L10-A13 PolarHBondContact O-N 2.7Å; A13-W15 VanDerWaalsContact C-N 3.31Å; A13-W15 PolarHBondContact O-N 2.84Å; A13-S16 PolarHBondContact O-N 3.18Å; A13-S16 PolarHBondContact O-OG 3.46Å |
| 14 | A | 76 | Confident | 76.9 | Confident | 64 Ų | 64 | 107.2 Ų | 107.2 | 53% | 0.529 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.5 | -34.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | L10 L11 | L10-A14 PolarHBondContact O-N 2.03Å; L11-A14 PolarHBondContact O-N 2.82Å |
| 15 | W | 73.4 | Confident | 78 | Confident | 223 Ų | 223 | 97.3 Ų | 97.3 | 85% | 0.845 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -78 | -20.4 | 176.4 | -73 | -1.5 | 0 | 0 | 0 | 114.1 | L11 V12 A13 M17 | L11-W15 PolarHBondContact O-N 3.03Å; V12-W15 PolarHBondContact O-N 3.16Å; A13-W15 VanDerWaalsContact C-N 3.31Å; A13-W15 PolarHBondContact O-N 2.84Å; W15-M17 PolarHBondContact O-N 3.34Å |
| 16 | S | 70.9 | Confident | 79.1 | Confident | 96 Ų | 96 | 90.2 Ų | 90.2 | 67% | 0.671 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -12 | 176.4 | 72.4 | 0 | 0 | 0 | 0 | 113.7 | V12 A13 G18 | V12-S16 PolarHBondContact O-N 2.89Å; V12-S16 VanDerWaalsContact O-N 3.12Å; A13-S16 PolarHBondContact O-N 3.18Å; A13-S16 PolarHBondContact O-OG 3.46Å; S16-G18 PolarHBondContact O-N 3.03Å |
| 17 | M | 63.5 | Low | 79.9 | Confident | 163 Ų | 163 | 88.9 Ų | 88.9 | 80% | 0.803 | 52% | 0.516 | S | S | * | . | trans | -82.7 | 84.2 | -179.7 | -145.7 | 143.3 | 70.5 | 0 | 0 | 109.2 | W15 | W15-M17 PolarHBondContact O-N 3.34Š| ||
| 18 | G | 61 | Low | 80.5 | Confident | 65 Ų | 65 | 85.8 Ų | 85.8 | 67% | 0.67 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 140 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S16 G20 | S16-G18 PolarHBondContact O-N 3.03Å; G18-G20 PolarHBondContact O-N 2.8Å |
| 19 | C | 61 | Low | 80.9 | Confident | 127 Ų | 127 | 88.9 Ų | 88.9 | 86% | 0.858 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -60 | 121.6 | 165.7 | -65.3 | 0 | 0 | 0 | 0 | 107.9 | E21 | C19-E21 PolarHBondContact O-N 3.47Š|
| 20 | G | 65.1 | Low | 81.2 | Confident | 76 Ų | 76 | 89.6 Ų | 89.6 | 78% | 0.784 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 126.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | G18 | G18-G20 PolarHBondContact O-N 2.8Š|
| 21 | E | 71.9 | Confident | 81.5 | Confident | 156 Ų | 156 | 87.4 Ų | 87.4 | 73% | 0.729 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 141.3 | 169.4 | -75.2 | -73.7 | 132.2 | 0 | 0 | 109.4 | C19 | C19-E21 PolarHBondContact O-N 3.47Š|
| 22 | A | 85.2 | Confident | 81.9 | Confident | 34 Ų | 34 | 86 Ų | 86 | 28% | 0.281 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 132.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | K24 | A22-K24 PolarHBondContact O-N 2.76Š|
| 23 | L | 94.4 | Very high | 82.2 | Confident | 23 Ų | 23 | 84.3 Ų | 84.3 | 12% | 0.12 | 49% | 0.487 | C | S | . | . | P | Polyproline II helix | trans | -53.2 | 136.4 | 178.7 | -176.9 | 72.2 | 0 | 0 | 0 | 110.6 | C43 D97 | L23-C43 HydrophobicContact CB-CB 4.24Å; L23-C43 WeakPolarHBondContact O-CB 3.16Å; L23-C43 PolarHBondContact O-N 3.25Å; L23-C43 PolarHBondContact O-SG 2.75Å; L23-C43 VanDerWaalsContact O-SG 3.34Å; L23-D97 WeakPolarHBondContact CA-OD1 3.19Å |
| 24 | K | 96.7 | Very high | 82.6 | Confident | 63 Ų | 63 | 82.5 Ų | 82.5 | 27% | 0.274 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 131.9 | 173.5 | -66.5 | 169.1 | -177.2 | 163.8 | 0 | 109.4 | A22 T41 H42 D97 L98 | A22-K24 PolarHBondContact O-N 2.76Å; K24-T41 WeakPolarHBondContact CA-O 3.4Å; K24-H42 WeakPolarHBondContact CE-CE1 3.47Å; K24-D97 HydrophobicContact CB-CB 4.29Å; K24-D97 PolarHBondContact N-OD1 3.12Å; K24-D97 CarbonylContact O-C 3.52Å; K24-D97 VanDerWaalsContact O-CA 3.3Å; K24-D97 WeakPolarHBondContact O-CA 3.41Å; K24-L98 HydrophobicContact CB-CD2 3.95Å; K24-L98 HydrophobicContact CB-CG 4.26Å; K24-L98 PolarHBondContact O-N 3.38Å |
| 25 | C | 97.3 | Very high | 83.1 | Confident | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 158.3 | 175.8 | -61.4 | 0 | 0 | 0 | 0 | 110.4 | T27 T41 C43 C50 | C25-T27 HydrophobicContact CB-CG2 4.43Å; C25-T41 PolarHBondContact N-O 3.09Å; C25-T41 PolarHBondContact O-N 3.34Å; C25-C43 PolarHBondContact SG-SG 2.99Å; C25-C50 HydrophobicContact CB-CB 3.79Å; C25-C50 WeakPolarHBondContact CB-SG 3.27Å; C25-C50 WeakPolarHBondContact SG-CA 3.41Å; C25-C50 WeakPolarHBondContact SG-CB 3.27Å; C25-C50 CovalentContact SG-SG 2.03Å; C25-C50 PolarHBondContact SG-SG 3.26Å |
| 26 | Y | 97.1 | Very high | 84 | Confident | 43 Ų | 43 | 75 Ų | 75 | 17% | 0.169 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 135.6 | 161.1 | -68.4 | -67.4 | 0 | 0 | 0 | 109.5 | K38 T39 I40 R71 L98 N100 S101 | Y26-K38 VanDerWaalsContact CD1-CA 3.47Å; Y26-K38 HydrophobicContact CD1-CB 3.84Å; Y26-K38 WeakPolarHBondContact CD1-O 3.04Å; Y26-K38 HydrophobicContact CE1-CB 3.97Å; Y26-K38 VanDerWaalsContact CE1-O 3.32Å; Y26-K38 WeakPolarHBondContact CE1-O 3.12Å; Y26-K38 HydrophobicContact CG-CB 4.5Å; Y26-T39 CarbonylContact C-O 3.47Å; Y26-T39 VanDerWaalsContact CA-O 3.27Å; Y26-T39 WeakPolarHBondContact CA-O 3.07Å; Y26-I40 HydrophobicContact CD1-CG1 3.95Å; Y26-I40 HydrophobicContact CE1-CD1 4.24Å; Y26-I40 HydrophobicContact CE1-CG1 3.5Å; Y26-I40 VanDerWaalsContact CE1-CG1 3.5Å; Y26-R71 WeakPolarHBondContact O-CB 3.49Å; Y26-L98 HydrophobicContact CD2-CB 4.34Å; Y26-L98 HydrophobicContact CD2-CD2 4.36Å; Y26-L98 HydrophobicContact CE1-CD2 4.44Å; Y26-L98 HydrophobicContact CE2-CB 3.76Å; Y26-L98 HydrophobicContact CE2-CD2 4.12Å; Y26-L98 HydrophobicContact CE2-CG 4.42Å; Y26-N100 PolarHBondContact N-OD1 2.02Å; Y26-N100 PolarHBondContact O-ND2 3.41Å; Y26-S101 VanDerWaalsContact CD2-CA 3.48Å |
| 27 | T | 96 | Very high | 85 | Confident | 23 Ų | 23 | 70.4 Ų | 70.4 | 14% | 0.141 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 156.3 | 179.6 | 65.6 | 0 | 0 | 0 | 0 | 111.9 | C25 T39 T41 R71 | C25-T27 HydrophobicContact CB-CG2 4.43Å; T27-T39 PolarHBondContact N-O 3.3Å; T27-T39 VanDerWaalsContact O-CB 3.27Å; T27-T39 WeakPolarHBondContact O-CB 3.04Å; T27-T41 HydrophobicContact CG2-CG2 4.39Å; T27-T41 WeakPolarHBondContact OG1-CB 3.41Å; T27-T41 PolarHBondContact OG1-OG1 3.03Å; T27-R71 CarbonylContact C-O 3.5Å; T27-R71 WeakPolarHBondContact CA-O 3.08Å; T27-R71 WeakPolarHBondContact CB-O 3.29Å |
| 28 | C | 94.7 | Very high | 86.5 | Confident | 13 Ų | 13 | 66.1 Ų | 66.1 | 9% | 0.088 | 40% | 0.397 | C | S | . | . | trans | -146.9 | 141.4 | 166.7 | 49.7 | 0 | 0 | 0 | 0 | 109.9 | M32 C37 R71 | C28-M32 HydrophobicContact CB-CE 4.39Å; C28-M32 HydrophobicContact CB-CG 4Å; C28-M32 HydrophobicContact CB-SD 3.66Å; C28-C37 HydrophobicContact CB-CB 3.86Å; C28-C37 WeakPolarHBondContact CB-SG 3.22Å; C28-C37 WeakPolarHBondContact SG-CB 3.08Å; C28-C37 CovalentContact SG-SG 2.03Å; C28-C37 PolarHBondContact SG-SG 2.8Å; C28-R71 PolarHBondContact N-O 3.42Å | ||
| 29 | E | 88.6 | Confident | 88.2 | Confident | 199 Ų | 199 | 67 Ų | 67 | 93% | 0.93 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -76 | -32.6 | -178.2 | -69.5 | -174.5 | 154 | 0 | 0 | 112.8 | ||
| 30 | Q | 88.4 | Confident | 89.9 | Confident | 144 Ų | 144 | 65.4 Ų | 65.4 | 67% | 0.673 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -112.1 | 153.7 | -179.4 | -66.9 | 178.1 | -18.2 | 0 | 0 | 109.8 | M32 | Q30-M32 WeakPolarHBondContact O-CG 3.46Å; Q30-M32 PolarHBondContact O-N 2.89Å |
| 31 | P | 87.5 | Confident | 91.4 | Very high | 80 Ų | 80 | 64 Ų | 64 | 52% | 0.519 | 35% | 0.348 | S | S | . | . | trans | -63.2 | 124.4 | 169.5 | -19.4 | 31.9 | 0 | 0 | 0 | 110.2 | V55 V68 | P31-V55 HydrophobicContact CB-CG2 4.26Å; P31-V68 HydrophobicContact CB-CG1 3.56Å | ||
| 32 | M | 89.1 | Confident | 92.5 | Very high | 59 Ų | 59 | 62.5 Ų | 62.5 | 29% | 0.291 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 167.3 | -179.5 | 14.3 | -178.2 | -56.6 | 0 | 0 | 110 | C28 Q30 S34 S36 C37 V68 V69 | C28-M32 HydrophobicContact CB-CE 4.39Å; C28-M32 HydrophobicContact CB-CG 4Å; C28-M32 HydrophobicContact CB-SD 3.66Å; Q30-M32 WeakPolarHBondContact O-CG 3.46Å; Q30-M32 PolarHBondContact O-N 2.89Å; M32-S34 PolarHBondContact O-N 2.03Å; M32-S36 WeakPolarHBondContact CE-O 3.33Å; M32-S36 WeakPolarHBondContact CE-OG 3.3Å; M32-C37 VanDerWaalsContact CE-CA 3.48Å; M32-C37 HydrophobicContact CE-CB 4.02Å; M32-C37 VanDerWaalsContact CE-N 3.31Å; M32-C37 HydrophobicContact CG-CB 4.31Å; M32-V68 WeakPolarHBondContact O-CA 3.43Å; M32-V69 PolarHBondContact N-O 2.92Å; M32-V69 VanDerWaalsContact N-O 3.16Å; M32-V69 PolarHBondContact O-N 3.33Å |
| 33 | V | 88.6 | Confident | 93 | Very high | 64 Ų | 64 | 61.3 Ų | 61.3 | 39% | 0.388 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 139.8 | 176.8 | -64.5 | 0 | 0 | 0 | 0 | 111.1 | A35 S36 C37 | V33-A35 PolarHBondContact O-N 3.46Å; V33-S36 WeakPolarHBondContact CG2-OG 2.96Å; V33-S36 PolarHBondContact O-N 2.66Å; V33-S36 PolarHBondContact O-OG 2.8Å; V33-C37 PolarHBondContact O-N 2.91Å |
| 34 | S | 87.6 | Confident | 92.9 | Very high | 18 Ų | 18 | 66.3 Ų | 66.3 | 13% | 0.126 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -34 | -175.8 | 64.9 | 0 | 0 | 0 | 0 | 114.1 | M32 S36 P67 R71 | M32-S34 PolarHBondContact O-N 2.03Å; S34-S36 VanDerWaalsContact C-N 3.34Å; S34-S36 PolarHBondContact O-N 2.88Å; S34-P67 PolarHBondContact N-O 3.02Å; S34-R71 PolarHBondContact O-NH1 3.47Å |
| 35 | A | 87.9 | Confident | 92.6 | Very high | 69 Ų | 69 | 69 Ų | 69 | 57% | 0.57 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -33.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V33 | V33-A35 PolarHBondContact O-N 3.46Š|
| 36 | S | 90.8 | Very high | 92.3 | Very high | 59 Ų | 59 | 73.3 Ų | 73.3 | 41% | 0.413 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -21.8 | -176.8 | 60.1 | 0 | 0 | 0 | 0 | 113.5 | M32 V33 S34 K38 | M32-S36 WeakPolarHBondContact CE-O 3.33Å; M32-S36 WeakPolarHBondContact CE-OG 3.3Å; V33-S36 WeakPolarHBondContact CG2-OG 2.96Å; V33-S36 PolarHBondContact O-N 2.66Å; V33-S36 PolarHBondContact O-OG 2.8Å; S34-S36 VanDerWaalsContact C-N 3.34Å; S34-S36 PolarHBondContact O-N 2.88Å; S36-K38 PolarHBondContact O-N 2.82Å |
| 37 | C | 93.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 39% | 0.394 | C | S | . | . | trans | -76.3 | 58.8 | -178.9 | 178.2 | 0 | 0 | 0 | 0 | 111.8 | C28 M32 V33 V69 R71 | C28-C37 HydrophobicContact CB-CB 3.86Å; C28-C37 WeakPolarHBondContact CB-SG 3.22Å; C28-C37 WeakPolarHBondContact SG-CB 3.08Å; C28-C37 CovalentContact SG-SG 2.03Å; C28-C37 PolarHBondContact SG-SG 2.8Å; M32-C37 VanDerWaalsContact CE-CA 3.48Å; M32-C37 HydrophobicContact CE-CB 4.02Å; M32-C37 VanDerWaalsContact CE-N 3.31Å; M32-C37 HydrophobicContact CG-CB 4.31Å; V33-C37 PolarHBondContact O-N 2.91Å; C37-V69 HydrophobicContact CB-CG2 3.93Å; C37-R71 WeakPolarHBondContact O-CD 3.3Å; C37-R71 PolarHBondContact O-NH1 2.8Å | ||
| 38 | K | 94.6 | Very high | 92.1 | Very high | 73 Ų | 73 | 75.3 Ų | 75.3 | 32% | 0.317 | 41% | 0.411 | S | S | . | . | trans | -123.7 | 33.9 | -174.6 | -61.2 | -167.2 | -177.3 | -165.2 | 0 | 113.2 | Y26 S36 I40 S101 E102 | Y26-K38 VanDerWaalsContact CD1-CA 3.47Å; Y26-K38 HydrophobicContact CD1-CB 3.84Å; Y26-K38 WeakPolarHBondContact CD1-O 3.04Å; Y26-K38 HydrophobicContact CE1-CB 3.97Å; Y26-K38 VanDerWaalsContact CE1-O 3.32Å; Y26-K38 WeakPolarHBondContact CE1-O 3.12Å; Y26-K38 HydrophobicContact CG-CB 4.5Å; S36-K38 PolarHBondContact O-N 2.82Å; K38-I40 PolarHBondContact O-N 2.87Å; K38-S101 WeakPolarHBondContact CE-O 3.4Å; K38-S101 PolarHBondContact NZ-O 3.49Å; K38-E102 IonicContact NZ-OE1 2.7Å; K38-E102 PolarHBondContact NZ-OE1 3.36Å; K38-E102 IonicContact NZ-OE2 2.94Å; K38-E102 PolarHBondContact NZ-OE2 2.97Å | ||
| 39 | T | 96.3 | Very high | 92.1 | Very high | 83 Ų | 83 | 74.7 Ų | 74.7 | 51% | 0.509 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 121 | 172.8 | -52.3 | 0 | 0 | 0 | 0 | 110 | Y26 T27 T41 | Y26-T39 CarbonylContact C-O 3.47Å; Y26-T39 VanDerWaalsContact CA-O 3.27Å; Y26-T39 WeakPolarHBondContact CA-O 3.07Å; T27-T39 PolarHBondContact N-O 3.3Å; T27-T39 VanDerWaalsContact O-CB 3.27Å; T27-T39 WeakPolarHBondContact O-CB 3.04Å; T39-T41 PolarHBondContact O-N 2.8Å |
| 40 | I | 96.8 | Very high | 92.5 | Very high | 95 Ų | 95 | 65.2 Ų | 65.2 | 49% | 0.487 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 124.3 | 177.1 | -62.7 | 173 | 0 | 0 | 0 | 109.2 | Y26 K38 L98 | Y26-I40 HydrophobicContact CD1-CG1 3.95Å; Y26-I40 HydrophobicContact CE1-CD1 4.24Å; Y26-I40 HydrophobicContact CE1-CG1 3.5Å; Y26-I40 VanDerWaalsContact CE1-CG1 3.5Å; K38-I40 PolarHBondContact O-N 2.87Å; I40-L98 HydrophobicContact CB-CD2 4.49Å; I40-L98 HydrophobicContact CD1-CD1 4.41Å; I40-L98 HydrophobicContact CG1-CD2 4.04Å; I40-L98 HydrophobicContact CG2-CD2 3.98Å |
| 41 | T | 96.2 | Very high | 92.8 | Very high | 47 Ų | 47 | 60.2 Ų | 60.2 | 29% | 0.288 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 135.8 | 178.4 | -62.3 | 0 | 0 | 0 | 0 | 110.2 | K24 C25 T27 T39 C43 | K24-T41 WeakPolarHBondContact CA-O 3.4Å; C25-T41 PolarHBondContact N-O 3.09Å; C25-T41 PolarHBondContact O-N 3.34Å; T27-T41 HydrophobicContact CG2-CG2 4.39Å; T27-T41 WeakPolarHBondContact OG1-CB 3.41Å; T27-T41 PolarHBondContact OG1-OG1 3.03Å; T39-T41 PolarHBondContact O-N 2.8Å; T41-C43 PolarHBondContact O-N 2.78Å |
| 42 | H | 95.8 | Very high | 93.1 | Very high | 123 Ų | 123 | 56.6 Ų | 56.6 | 57% | 0.569 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 114.7 | 166.9 | -70.3 | -104.1 | 0 | 0 | 0 | 108.3 | K24 | K24-H42 WeakPolarHBondContact CE-CE1 3.47Å |
| 43 | C | 94.8 | Very high | 93.2 | Very high | 9 Ų | 9 | 55 Ų | 55 | 6% | 0.061 | 31% | 0.31 | C | S | . | . | trans | -69.9 | 167.2 | 178.3 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | L23 C25 T41 D47 C73 | L23-C43 HydrophobicContact CB-CB 4.24Å; L23-C43 WeakPolarHBondContact O-CB 3.16Å; L23-C43 PolarHBondContact O-N 3.25Å; L23-C43 PolarHBondContact O-SG 2.75Å; L23-C43 VanDerWaalsContact O-SG 3.34Å; C25-C43 PolarHBondContact SG-SG 2.99Å; T41-C43 PolarHBondContact O-N 2.78Å; C43-D47 HydrophobicContact CB-CB 3.78Å; C43-C73 WeakPolarHBondContact CA-SG 3.4Å; C43-C73 HydrophobicContact CB-CB 3.55Å; C43-C73 WeakPolarHBondContact CB-SG 3.03Å; C43-C73 WeakPolarHBondContact SG-CB 3.48Å; C43-C73 CovalentContact SG-SG 2.03Å; C43-C73 PolarHBondContact SG-SG 3.01Å | ||
| 44 | K | 93.6 | Very high | 93.1 | Very high | 129 Ų | 129 | 53.3 Ų | 53.3 | 56% | 0.561 | 30% | 0.298 | S | S | * | . | trans | -71.8 | 155.7 | 175.9 | -54.8 | -175.7 | -174.6 | 173.8 | 0 | 110.1 | E46 D47 | K44-E46 HydrophobicContact CB-CG 4.05Å; K44-E46 WeakPolarHBondContact CB-OE1 3.45Å; K44-E46 WeakPolarHBondContact CB-OE2 3.5Å; K44-E46 WeakPolarHBondContact CD-OE1 3.5Å; K44-E46 PolarHBondContact O-N 2.85Å; K44-E46 VanDerWaalsContact O-N 3.14Å; K44-D47 WeakPolarHBondContact CB-OD2 3.42Å; K44-D47 PolarHBondContact N-OD2 2.86Å; K44-D47 WeakPolarHBondContact O-CB 3.12Å; K44-D47 PolarHBondContact O-N 2.01Å | ||
| 45 | P | 90.3 | Very high | 92.8 | Very high | 120 Ų | 120 | 54.2 Ų | 54.2 | 78% | 0.779 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -27.3 | 178.1 | -24 | 34.1 | 0 | 0 | 0 | 114 | D47 | P45-D47 VanDerWaalsContact C-N 3.35Š|
| 46 | E | 91.1 | Very high | 91.9 | Very high | 89 Ų | 89 | 54.2 Ų | 54.2 | 42% | 0.416 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -15.4 | 175.1 | 62.7 | -91.7 | -153.2 | 0 | 0 | 114.4 | K44 R75 | K44-E46 HydrophobicContact CB-CG 4.05Å; K44-E46 WeakPolarHBondContact CB-OE1 3.45Å; K44-E46 WeakPolarHBondContact CB-OE2 3.5Å; K44-E46 WeakPolarHBondContact CD-OE1 3.5Å; K44-E46 PolarHBondContact O-N 2.85Å; K44-E46 VanDerWaalsContact O-N 3.14Å; E46-R75 WeakPolarHBondContact O-CB 3.37Å; E46-R75 VanDerWaalsContact O-CG 3.24Å; E46-R75 WeakPolarHBondContact O-CG 3.18Å |
| 47 | D | 94 | Very high | 90.4 | Very high | 27 Ų | 27 | 55.1 Ų | 55.1 | 14% | 0.144 | 30% | 0.299 | C | S | . | . | trans | -80 | 130.9 | 178.8 | -66.7 | -38.2 | 0 | 0 | 0 | 110.2 | C43 K44 P45 C73 S74 R75 | C43-D47 HydrophobicContact CB-CB 3.78Å; K44-D47 WeakPolarHBondContact CB-OD2 3.42Å; K44-D47 PolarHBondContact N-OD2 2.86Å; K44-D47 WeakPolarHBondContact O-CB 3.12Å; K44-D47 PolarHBondContact O-N 2.01Å; P45-D47 VanDerWaalsContact C-N 3.35Å; D47-C73 HydrophobicContact CB-CB 4.09Å; D47-C73 WeakPolarHBondContact OD2-CB 3.04Å; D47-S74 VanDerWaalsContact OD1-C 3.32Å; D47-R75 PolarHBondContact OD1-N 3.24Å; D47-R75 VanDerWaalsContact OD1-N 3.07Å | ||
| 48 | T | 93.9 | Very high | 88.6 | Confident | 81 Ų | 81 | 62.5 Ų | 62.5 | 50% | 0.497 | 33% | 0.333 | S | S | . | . | trans | -117 | -11.6 | -176.6 | 65.5 | 0 | 0 | 0 | 0 | 113 | S74 R75 F95 | T48-S74 PolarHBondContact N-O 3.04Å; T48-R75 PolarHBondContact OG1-O 2.03Å; T48-F95 WeakPolarHBondContact O-CD1 3.46Å | ||
| 49 | A | 95.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 148.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S74 C77 C94 F95 | A49-S74 PolarHBondContact N-O 3.1Å; A49-S74 PolarHBondContact O-N 2.82Å; A49-C77 HydrophobicContact CB-CB 3.64Å; A49-C94 CarbonylContact C-O 3.56Å; A49-C94 VanDerWaalsContact CA-O 3.31Å; A49-C94 WeakPolarHBondContact CA-O 3.39Å; A49-F95 HydrophobicContact CB-CD1 3.8Å; A49-F95 HydrophobicContact CB-CE1 3.61Å; A49-F95 HydrophobicContact CB-CG 4.46Å; A49-F95 HydrophobicContact CB-CZ 4.13Å |
| 50 | C | 96.5 | Very high | 84.7 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 129.4 | 159.4 | -50.9 | 0 | 0 | 0 | 0 | 108.9 | C25 C93 C94 C99 N100 | C25-C50 HydrophobicContact CB-CB 3.79Å; C25-C50 WeakPolarHBondContact CB-SG 3.27Å; C25-C50 WeakPolarHBondContact SG-CA 3.41Å; C25-C50 WeakPolarHBondContact SG-CB 3.27Å; C25-C50 CovalentContact SG-SG 2.03Å; C25-C50 PolarHBondContact SG-SG 3.26Å; C50-C93 WeakPolarHBondContact O-CA 3.47Å; C50-C94 PolarHBondContact N-O 3.18Å; C50-C94 PolarHBondContact O-N 2.98Å; C50-C99 VanDerWaalsContact SG-SG 3.64Å; C50-N100 HydrophobicContact CB-CB 3.98Å |
| 51 | M | 95.3 | Very high | 82.5 | Confident | 39 Ų | 39 | 70.8 Ų | 70.8 | 19% | 0.192 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 133.9 | 178.5 | -176.6 | 176.5 | 174.9 | 0 | 0 | 109.4 | R71 S72 I91 Y92 | M51-R71 WeakPolarHBondContact O-CA 3.48Å; M51-S72 PolarHBondContact N-O 3.25Å; M51-S72 PolarHBondContact O-N 2.77Å; M51-I91 HydrophobicContact CE-CB 4.37Å; M51-I91 HydrophobicContact CE-CD1 3.75Å; M51-I91 HydrophobicContact CE-CG1 3.84Å; M51-I91 HydrophobicContact CE-CG2 3.6Å; M51-I91 HydrophobicContact CG-CG2 3.96Å; M51-I91 HydrophobicContact SD-CG2 4.43Å; M51-Y92 WeakPolarHBondContact CA-O 3.37Å |
| 52 | T | 93.4 | Very high | 80.6 | Confident | 5 Ų | 5 | 74.7 Ų | 74.7 | 3% | 0.031 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 121.3 | 172.7 | -55 | 0 | 0 | 0 | 0 | 108.7 | V69 R71 I91 Y92 N100 L103 | T52-V69 HydrophobicContact CG2-CB 4.27Å; T52-V69 HydrophobicContact CG2-CG1 4.49Å; T52-R71 HydrophobicContact CG2-CG 3.89Å; T52-I91 CarbonylContact O-C 3.58Å; T52-I91 WeakPolarHBondContact O-CA 3.18Å; T52-Y92 PolarHBondContact N-O 3.45Å; T52-Y92 PolarHBondContact O-N 3.22Å; T52-N100 WeakPolarHBondContact OG1-CB 3.37Å; T52-L103 HydrophobicContact CG2-CD1 4.19Å |
| 53 | T | 90.5 | Very high | 78.7 | Confident | 26 Ų | 26 | 74.9 Ų | 74.9 | 16% | 0.16 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 118 | 176.9 | -55.2 | 0 | 0 | 0 | 0 | 108.1 | V55 V69 T70 H89 L90 | T53-V55 PolarHBondContact O-N 3.19Å; T53-V69 CarbonylContact O-C 3.59Å; T53-V69 VanDerWaalsContact O-CA 3.29Å; T53-V69 WeakPolarHBondContact O-CA 2.96Å; T53-T70 PolarHBondContact N-O 3.23Å; T53-T70 PolarHBondContact O-N 3.07Å; T53-H89 HydrophobicContact CG2-CB 3.56Å; T53-L90 WeakPolarHBondContact CA-O 3.48Å |
| 54 | L | 87 | Confident | 77.1 | Confident | 28 Ų | 28 | 82.9 Ų | 82.9 | 15% | 0.147 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 115.8 | 172.3 | -167.6 | 168.6 | 0 | 0 | 0 | 107.7 | T56 H89 L90 Y92 L103 | L54-T56 HydrophobicContact CD2-CG2 3.76Å; L54-T56 PolarHBondContact O-N 3.16Å; L54-H89 WeakPolarHBondContact O-CA 3.31Å; L54-H89 WeakPolarHBondContact O-CB 3.46Å; L54-L90 HydrophobicContact CB-CB 4.06Å; L54-L90 HydrophobicContact CD1-CD1 4.3Å; L54-L90 PolarHBondContact N-O 3.42Å; L54-Y92 HydrophobicContact CB-CE2 4.4Å; L54-Y92 HydrophobicContact CD1-CE2 4.33Å; L54-L103 HydrophobicContact CB-CD2 4.42Å; L54-L103 HydrophobicContact CD1-CD2 3.66Å; L54-L103 HydrophobicContact CG-CD2 3.89Å |
| 55 | V | 81.4 | Confident | 75.8 | Confident | 37 Ų | 37 | 82.6 Ų | 82.6 | 22% | 0.224 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 98.1 | 173.8 | -175.9 | 0 | 0 | 0 | 0 | 106.1 | P31 T53 V57 V68 | P31-V55 HydrophobicContact CB-CG2 4.26Å; T53-V55 PolarHBondContact O-N 3.19Å; V55-V57 PolarHBondContact O-N 3.12Å; V55-V68 HydrophobicContact CB-CB 4.32Å; V55-V68 HydrophobicContact CB-CG1 4.16Å; V55-V68 PolarHBondContact N-O 3.14Å |
| 56 | T | 68.5 | Low | 75.1 | Confident | 69 Ų | 69 | 80.1 Ų | 80.1 | 42% | 0.423 | 44% | 0.435 | S | S | . | . | trans | -58.3 | 121.9 | 176.9 | 40.6 | 0 | 0 | 0 | 0 | 108.6 | L54 E58 A88 | L54-T56 HydrophobicContact CD2-CG2 3.76Å; L54-T56 PolarHBondContact O-N 3.16Å; T56-E58 PolarHBondContact O-N 3.03Å; T56-A88 PolarHBondContact OG1-O 3.37Å | ||
| 57 | V | 59.9 | Low | 74.6 | Confident | 78 Ų | 78 | 78.5 Ų | 78.5 | 47% | 0.473 | 43% | 0.432 | S | S | . | . | trans | -73.8 | 118.4 | 154.7 | -175.1 | 0 | 0 | 0 | 0 | 103.7 | V55 A59 V68 | V55-V57 PolarHBondContact O-N 3.12Å; V57-A59 PolarHBondContact O-N 3.05Å; V57-V68 HydrophobicContact CG2-CG2 4.19Å | ||
| 58 | E | 55.7 | Low | 74.3 | Confident | 154 Ų | 154 | 78.8 Ų | 78.8 | 72% | 0.72 | 44% | 0.435 | S | S | * | . | trans | -38.6 | 115.5 | -177.5 | -70.9 | 150.2 | 160.5 | 0 | 0 | 110.2 | T56 E60 | T56-E58 PolarHBondContact O-N 3.03Å; E58-E60 HydrophobicContact CB-CG 4.45Å; E58-E60 PolarHBondContact O-N 3.24Å | ||
| 59 | A | 53.2 | Low | 74.2 | Confident | 102 Ų | 102 | 75 Ų | 75 | 84% | 0.843 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | 38.5 | -167.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V57 F61 | V57-A59 PolarHBondContact O-N 3.05Å; A59-F61 VanDerWaalsContact C-N 3.32Å; A59-F61 PolarHBondContact O-N 2.95Å |
| 60 | E | 54.7 | Low | 74 | Confident | 163 Ų | 163 | 76.6 Ų | 76.6 | 76% | 0.762 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -18.3 | -173.9 | -66.2 | -170.2 | 151.7 | 0 | 0 | 112.6 | E58 | E58-E60 HydrophobicContact CB-CG 4.45Å; E58-E60 PolarHBondContact O-N 3.24Å |
| 61 | F | 51.5 | Low | 73.9 | Confident | 160 Ų | 160 | 76.6 Ų | 76.6 | 70% | 0.702 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -154.6 | 151.8 | 175.8 | -100.5 | -95.2 | 0 | 0 | 0 | 110 | A59 F63 | A59-F61 VanDerWaalsContact C-N 3.32Å; A59-F61 PolarHBondContact O-N 2.95Å; F61-F63 VanDerWaalsContact C-N 3.32Å; F61-F63 HydrophobicContact CB-CD2 4.27Å; F61-F63 HydrophobicContact CB-CE2 3.77Å; F61-F63 HydrophobicContact CB-CZ 4.29Å; F61-F63 VanDerWaalsContact O-CD2 3.23Å; F61-F63 WeakPolarHBondContact O-CD2 3.01Å; F61-F63 PolarHBondContact O-N 2.85Å |
| 62 | P | 54.8 | Low | 73.9 | Confident | 130 Ų | 130 | 76.7 Ų | 76.7 | 84% | 0.844 | 43% | 0.426 | S | S | * | . | trans | -71.1 | 88.4 | -178.8 | 29.4 | -33.6 | 0 | 0 | 0 | 110.3 | ||||
| 63 | F | 57.4 | Low | 74.1 | Confident | 126 Ų | 126 | 77.9 Ų | 77.9 | 55% | 0.553 | 43% | 0.434 | S | S | * | . | trans | -84.8 | 118.3 | 167.7 | -69.7 | -74.8 | 0 | 0 | 0 | 107.7 | F61 Q65 | F61-F63 VanDerWaalsContact C-N 3.32Å; F61-F63 HydrophobicContact CB-CD2 4.27Å; F61-F63 HydrophobicContact CB-CE2 3.77Å; F61-F63 HydrophobicContact CB-CZ 4.29Å; F61-F63 VanDerWaalsContact O-CD2 3.23Å; F61-F63 WeakPolarHBondContact O-CD2 3.01Å; F61-F63 PolarHBondContact O-N 2.85Å; F63-Q65 HydrophobicContact CB-CB 4.38Å; F63-Q65 HydrophobicContact CB-CG 3.87Å; F63-Q65 PolarHBondContact O-N 3.01Å | ||
| 64 | N | 59.6 | Low | 74.3 | Confident | 177 Ų | 177 | 77.7 Ų | 77.7 | 95% | 0.947 | 43% | 0.434 | S | S | * | . | trans | -70.4 | 35.7 | 178.3 | -147.6 | 48.3 | 0 | 0 | 0 | 112.3 | ||||
| 65 | Q | 67.1 | Low | 74.6 | Confident | 123 Ų | 123 | 84.7 Ų | 84.7 | 58% | 0.575 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -95.5 | 136.8 | -172.1 | -62.6 | 177.9 | 15.6 | 0 | 0 | 108.6 | F63 | F63-Q65 HydrophobicContact CB-CB 4.38Å; F63-Q65 HydrophobicContact CB-CG 3.87Å; F63-Q65 PolarHBondContact O-N 3.01Å |
| 66 | S | 75.7 | Confident | 75.1 | Confident | 68 Ų | 68 | 87.5 Ų | 87.5 | 48% | 0.476 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 141.7 | 175.1 | -57.8 | 0 | 0 | 0 | 0 | 110.5 | V68 | S66-V68 PolarHBondContact O-N 3.14Š|
| 67 | P | 81.2 | Confident | 76.2 | Confident | 55 Ų | 55 | 85.4 Ų | 85.4 | 36% | 0.357 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 139 | -178.9 | 25.7 | -33.7 | 0 | 0 | 0 | 110.5 | S34 L103 | S34-P67 PolarHBondContact N-O 3.02Å; P67-L103 HydrophobicContact CB-CD2 3.95Å; P67-L103 HydrophobicContact CG-CD2 3.91Å |
| 68 | V | 86.9 | Confident | 77.6 | Confident | 34 Ų | 34 | 89.5 Ų | 89.5 | 21% | 0.206 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 129.9 | 172.9 | -178.3 | 0 | 0 | 0 | 0 | 108 | P31 M32 V55 V57 S66 | P31-V68 HydrophobicContact CB-CG1 3.56Å; M32-V68 WeakPolarHBondContact O-CA 3.43Å; V55-V68 HydrophobicContact CB-CB 4.32Å; V55-V68 HydrophobicContact CB-CG1 4.16Å; V55-V68 PolarHBondContact N-O 3.14Å; V57-V68 HydrophobicContact CG2-CG2 4.19Å; S66-V68 PolarHBondContact O-N 3.14Å |
| 69 | V | 90.9 | Very high | 79.1 | Confident | 0 Ų | 0 | 85 Ų | 85 | 0% | 0 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 155.7 | -178.4 | -53.7 | 0 | 0 | 0 | 0 | 110.7 | M32 C37 T52 T53 R71 L103 | M32-V69 PolarHBondContact N-O 2.92Å; M32-V69 VanDerWaalsContact N-O 3.16Å; M32-V69 PolarHBondContact O-N 3.33Å; C37-V69 HydrophobicContact CB-CG2 3.93Å; T52-V69 HydrophobicContact CG2-CB 4.27Å; T52-V69 HydrophobicContact CG2-CG1 4.49Å; T53-V69 CarbonylContact O-C 3.59Å; T53-V69 VanDerWaalsContact O-CA 3.29Å; T53-V69 WeakPolarHBondContact O-CA 2.96Å; V69-R71 HydrophobicContact CG2-CG 4.39Å; V69-L103 HydrophobicContact CG1-CB 4.45Å; V69-L103 HydrophobicContact CG1-CD2 3.41Å; V69-L103 VanDerWaalsContact CG1-CD2 3.41Å; V69-L103 HydrophobicContact CG1-CG 4.4Å |
| 70 | T | 92.9 | Very high | 80.5 | Confident | 34 Ų | 34 | 81.7 Ų | 81.7 | 21% | 0.209 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 128.2 | 164.9 | -52.9 | 0 | 0 | 0 | 0 | 107.6 | T53 | T53-T70 PolarHBondContact N-O 3.23Å; T53-T70 PolarHBondContact O-N 3.07Å |
| 71 | R | 94.8 | Very high | 81.6 | Confident | 1 Ų | 1 | 78.5 Ų | 78.5 | 0% | 0.004 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 138 | 177.2 | -63.7 | 177.6 | 172 | 123.3 | -6.2 | 110.6 | Y26 T27 C28 S34 C37 M51 T52 V69 N100 S101 | Y26-R71 WeakPolarHBondContact O-CB 3.49Å; T27-R71 CarbonylContact C-O 3.5Å; T27-R71 WeakPolarHBondContact CA-O 3.08Å; T27-R71 WeakPolarHBondContact CB-O 3.29Å; C28-R71 PolarHBondContact N-O 3.42Å; S34-R71 PolarHBondContact O-NH1 3.47Å; C37-R71 WeakPolarHBondContact O-CD 3.3Å; C37-R71 PolarHBondContact O-NH1 2.8Å; M51-R71 WeakPolarHBondContact O-CA 3.48Å; T52-R71 HydrophobicContact CG2-CG 3.89Å; V69-R71 HydrophobicContact CG2-CG 4.39Å; R71-N100 WeakPolarHBondContact CD-O 3.38Å; R71-N100 VanDerWaalsContact CZ-O 3.27Å; R71-N100 PolarHBondContact NE-O 3.38Å; R71-N100 PolarHBondContact NH2-O 3.18Å; R71-S101 PolarHBondContact NH2-O 3.46Å |
| 72 | S | 95.4 | Very high | 82.5 | Confident | 41 Ų | 41 | 76.1 Ų | 76.1 | 29% | 0.287 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 162.9 | -178.1 | 58.6 | 0 | 0 | 0 | 0 | 112.1 | M51 | M51-S72 PolarHBondContact N-O 3.25Å; M51-S72 PolarHBondContact O-N 2.77Å |
| 73 | C | 96.3 | Very high | 83.2 | Confident | 29 Ų | 29 | 76.5 Ų | 76.5 | 20% | 0.196 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 146.6 | 165 | -55.9 | 0 | 0 | 0 | 0 | 109.5 | C43 D47 | C43-C73 WeakPolarHBondContact CA-SG 3.4Å; C43-C73 HydrophobicContact CB-CB 3.55Å; C43-C73 WeakPolarHBondContact CB-SG 3.03Å; C43-C73 WeakPolarHBondContact SG-CB 3.48Å; C43-C73 CovalentContact SG-SG 2.03Å; C43-C73 PolarHBondContact SG-SG 3.01Å; D47-C73 HydrophobicContact CB-CB 4.09Å; D47-C73 WeakPolarHBondContact OD2-CB 3.04Å |
| 74 | S | 95.3 | Very high | 83.8 | Confident | 23 Ų | 23 | 73.6 Ų | 73.6 | 16% | 0.161 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 141.4 | 174.2 | -174.5 | 0 | 0 | 0 | 0 | 112.6 | D47 T48 A49 S76 | D47-S74 VanDerWaalsContact OD1-C 3.32Å; T48-S74 PolarHBondContact N-O 3.04Å; A49-S74 PolarHBondContact N-O 3.1Å; A49-S74 PolarHBondContact O-N 2.82Å; S74-S76 VanDerWaalsContact C-N 3.34Å; S74-S76 PolarHBondContact OG-N 3.31Å; S74-S76 PolarHBondContact OG-O 3.16Å |
| 75 | R | 93.8 | Very high | 84 | Confident | 174 Ų | 174 | 73.5 Ų | 73.5 | 66% | 0.657 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -64.6 | -36.3 | 169 | 178 | 167 | -172.8 | -170.8 | 1.9 | 113.2 | E46 D47 T48 | E46-R75 WeakPolarHBondContact O-CB 3.37Å; E46-R75 VanDerWaalsContact O-CG 3.24Å; E46-R75 WeakPolarHBondContact O-CG 3.18Å; D47-R75 PolarHBondContact OD1-N 3.24Å; D47-R75 VanDerWaalsContact OD1-N 3.07Å; T48-R75 PolarHBondContact OG1-O 2.03Å |
| 76 | S | 90.6 | Very high | 83.6 | Confident | 97 Ų | 97 | 71.3 Ų | 71.3 | 68% | 0.678 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -140.5 | 122.5 | 179.2 | 58.5 | 0 | 0 | 0 | 0 | 109.1 | S74 | S74-S76 VanDerWaalsContact C-N 3.34Å; S74-S76 PolarHBondContact OG-N 3.31Å; S74-S76 PolarHBondContact OG-O 3.16Å |
| 77 | C | 91.6 | Very high | 82.8 | Confident | 24 Ų | 24 | 70.5 Ų | 70.5 | 16% | 0.162 | 43% | 0.426 | C | S | . | . | trans | -119.1 | 122.4 | 179.8 | -165.4 | 0 | 0 | 0 | 0 | 109.3 | A49 C93 | A49-C77 HydrophobicContact CB-CB 3.64Å; C77-C93 HydrophobicContact CB-CB 3.59Å; C77-C93 WeakPolarHBondContact CB-SG 3.03Å; C77-C93 VanDerWaalsContact SG-CA 3.51Å; C77-C93 WeakPolarHBondContact SG-CB 3.45Å; C77-C93 CovalentContact SG-SG 2.01Å; C77-C93 PolarHBondContact SG-SG 3.42Å | ||
| 78 | M | 89.9 | Confident | 81.7 | Confident | 165 Ų | 165 | 70.9 Ų | 70.9 | 81% | 0.813 | 43% | 0.434 | S | S | * | . | trans | -114.1 | 114.4 | 174.8 | -166 | 175.2 | 96.1 | 0 | 0 | 107.7 | I91 | M78-I91 WeakPolarHBondContact O-CG2 3.43Š| ||
| 79 | A | 86.7 | Confident | 81 | Confident | 58 Ų | 58 | 73.3 Ų | 73.3 | 48% | 0.479 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 143.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | I91 | A79-I91 VanDerWaalsContact CA-O 3.3Å; A79-I91 WeakPolarHBondContact CA-O 3.4Å; A79-I91 WeakPolarHBondContact CB-O 3.19Å |
| 80 | T | 84.3 | Confident | 80.7 | Confident | 33 Ų | 33 | 76.1 Ų | 76.1 | 20% | 0.202 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 135.4 | 175.1 | -50.9 | 0 | 0 | 0 | 0 | 109 | A87 H89 I91 | T80-A87 HydrophobicContact CG2-CB 3.69Å; T80-H89 PolarHBondContact OG1-O 3.46Å; T80-I91 PolarHBondContact N-O 3.04Å; T80-I91 WeakPolarHBondContact OG1-CB 3.5Å; T80-I91 WeakPolarHBondContact OG1-CG1 3.24Å; T80-I91 PolarHBondContact OG1-N 2.68Å |
| 81 | D | 77.1 | Confident | 80.6 | Confident | 96 Ų | 96 | 76.5 Ų | 76.5 | 51% | 0.513 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 122.1 | 170.3 | -175.4 | -11.7 | 0 | 0 | 0 | 109.1 | D83 S84 | D81-D83 PolarHBondContact O-N 3.49Å; D81-D83 VanDerWaalsContact O-N 3.14Å; D81-D83 PolarHBondContact OD1-N 3.08Å; D81-S84 WeakPolarHBondContact O-CB 3.35Å; D81-S84 PolarHBondContact O-N 3.36Å |
| 82 | P | 69.3 | Low | 80.4 | Confident | 110 Ų | 110 | 81.7 Ų | 81.7 | 71% | 0.714 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -22.9 | 178.9 | 25 | -35.9 | 0 | 0 | 0 | 113.5 | S84 | P82-S84 VanDerWaalsContact C-N 3.3Š|
| 83 | D | 70.9 | Confident | 80.3 | Confident | 138 Ų | 138 | 81.5 Ų | 81.5 | 74% | 0.738 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 0.6 | 179.4 | -63 | -33.9 | 0 | 0 | 0 | 112.8 | D81 I85 | D81-D83 PolarHBondContact O-N 3.49Å; D81-D83 VanDerWaalsContact O-N 3.14Å; D81-D83 PolarHBondContact OD1-N 3.08Å; D83-I85 PolarHBondContact O-N 3.21Å; D83-I85 VanDerWaalsContact O-N 3.1Å |
| 84 | S | 68.4 | Low | 80.3 | Confident | 66 Ų | 66 | 81.6 Ų | 81.6 | 46% | 0.462 | 48% | 0.477 | S | S | . | . | trans | -73.5 | 102.5 | 179.7 | -164 | 0 | 0 | 0 | 0 | 111.6 | D81 P82 G86 | D81-S84 WeakPolarHBondContact O-CB 3.35Å; D81-S84 PolarHBondContact O-N 3.36Å; P82-S84 VanDerWaalsContact C-N 3.3Å; S84-G86 PolarHBondContact O-N 3.44Å | ||
| 85 | I | 64.3 | Low | 80.2 | Confident | 175 Ų | 175 | 86.5 Ų | 86.5 | 90% | 0.897 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 122.1 | 175.1 | -58.3 | 179.2 | 0 | 0 | 0 | 109.6 | D83 | D83-I85 PolarHBondContact O-N 3.21Å; D83-I85 VanDerWaalsContact O-N 3.1Å |
| 86 | G | 58.9 | Low | 80.2 | Confident | 77 Ų | 77 | 87.7 Ų | 87.7 | 79% | 0.794 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.4 | 6.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | S84 A88 | S84-G86 PolarHBondContact O-N 3.44Å; G86-A88 PolarHBondContact O-N 3.38Å; G86-A88 VanDerWaalsContact O-N 3.16Å |
| 87 | A | 58.4 | Low | 80.5 | Confident | 50 Ų | 50 | 87.3 Ų | 87.3 | 41% | 0.413 | 49% | 0.49 | S | S | . | . | trans | -69.6 | 110.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | T80 H89 | T80-A87 HydrophobicContact CG2-CB 3.69Å; A87-H89 PolarHBondContact O-N 3.35Å | ||
| 88 | A | 59.6 | Low | 80.7 | Confident | 63 Ų | 63 | 88.6 Ų | 88.6 | 52% | 0.521 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -64.4 | -21.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | T56 G86 | T56-A88 PolarHBondContact OG1-O 3.37Å; G86-A88 PolarHBondContact O-N 3.38Å; G86-A88 VanDerWaalsContact O-N 3.16Å |
| 89 | H | 71.4 | Confident | 81 | Confident | 85 Ų | 85 | 82.9 Ų | 82.9 | 39% | 0.394 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 130.1 | -176 | -56.6 | -55.6 | 0 | 0 | 0 | 112.4 | T53 L54 T80 A87 | T53-H89 HydrophobicContact CG2-CB 3.56Å; L54-H89 WeakPolarHBondContact O-CA 3.31Å; L54-H89 WeakPolarHBondContact O-CB 3.46Å; T80-H89 PolarHBondContact OG1-O 3.46Å; A87-H89 PolarHBondContact O-N 3.35Å |
| 90 | L | 84.6 | Confident | 81.4 | Confident | 60 Ų | 60 | 80.3 Ų | 80.3 | 31% | 0.314 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 125 | 173 | -78.1 | 144 | 0 | 0 | 0 | 109.5 | T53 L54 Y92 | T53-L90 WeakPolarHBondContact CA-O 3.48Å; L54-L90 HydrophobicContact CB-CB 4.06Å; L54-L90 HydrophobicContact CD1-CD1 4.3Å; L54-L90 PolarHBondContact N-O 3.42Å; L90-Y92 HydrophobicContact CB-CE2 4Å |
| 91 | I | 90.4 | Very high | 81.7 | Confident | 42 Ų | 42 | 80.5 Ų | 80.5 | 22% | 0.215 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 126.8 | 179 | -61.9 | 165 | 0 | 0 | 0 | 109.5 | M51 T52 M78 A79 T80 | M51-I91 HydrophobicContact CE-CB 4.37Å; M51-I91 HydrophobicContact CE-CD1 3.75Å; M51-I91 HydrophobicContact CE-CG1 3.84Å; M51-I91 HydrophobicContact CE-CG2 3.6Å; M51-I91 HydrophobicContact CG-CG2 3.96Å; M51-I91 HydrophobicContact SD-CG2 4.43Å; T52-I91 CarbonylContact O-C 3.58Å; T52-I91 WeakPolarHBondContact O-CA 3.18Å; M78-I91 WeakPolarHBondContact O-CG2 3.43Å; A79-I91 VanDerWaalsContact CA-O 3.3Å; A79-I91 WeakPolarHBondContact CA-O 3.4Å; A79-I91 WeakPolarHBondContact CB-O 3.19Å; T80-I91 PolarHBondContact N-O 3.04Å; T80-I91 WeakPolarHBondContact OG1-CB 3.5Å; T80-I91 WeakPolarHBondContact OG1-CG1 3.24Å; T80-I91 PolarHBondContact OG1-N 2.68Å |
| 92 | Y | 90.9 | Very high | 81.9 | Confident | 110 Ų | 110 | 81.8 Ų | 81.8 | 43% | 0.431 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 140.3 | 172.3 | -60.5 | -88.2 | 0 | 0 | 0 | 110.7 | M51 T52 L54 L90 L103 | M51-Y92 WeakPolarHBondContact CA-O 3.37Å; T52-Y92 PolarHBondContact N-O 3.45Å; T52-Y92 PolarHBondContact O-N 3.22Å; L54-Y92 HydrophobicContact CB-CE2 4.4Å; L54-Y92 HydrophobicContact CD1-CE2 4.33Å; L90-Y92 HydrophobicContact CB-CE2 4Å; Y92-L103 HydrophobicContact CD2-CD1 3.71Å; Y92-L103 HydrophobicContact CE2-CD1 3.7Å; Y92-L103 HydrophobicContact CG-CD1 4.46Å |
| 93 | C | 94.1 | Very high | 82 | Confident | 36 Ų | 36 | 81.3 Ų | 81.3 | 24% | 0.243 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 136.3 | -174 | -59.2 | 0 | 0 | 0 | 0 | 111.1 | C50 C77 | C50-C93 WeakPolarHBondContact O-CA 3.47Å; C77-C93 HydrophobicContact CB-CB 3.59Å; C77-C93 WeakPolarHBondContact CB-SG 3.03Å; C77-C93 VanDerWaalsContact SG-CA 3.51Å; C77-C93 WeakPolarHBondContact SG-CB 3.45Å; C77-C93 CovalentContact SG-SG 2.01Å; C77-C93 PolarHBondContact SG-SG 3.42Å |
| 94 | C | 95 | Very high | 82.6 | Confident | 31 Ų | 31 | 78.5 Ų | 78.5 | 21% | 0.209 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 156.9 | 172.2 | 63.1 | 0 | 0 | 0 | 0 | 111.5 | A49 C50 C99 | A49-C94 CarbonylContact C-O 3.56Å; A49-C94 VanDerWaalsContact CA-O 3.31Å; A49-C94 WeakPolarHBondContact CA-O 3.39Å; C50-C94 PolarHBondContact N-O 3.18Å; C50-C94 PolarHBondContact O-N 2.98Å; C94-C99 HydrophobicContact CB-CB 3.76Å; C94-C99 WeakPolarHBondContact CB-SG 3.44Å; C94-C99 WeakPolarHBondContact SG-CB 3.42Å; C94-C99 CovalentContact SG-SG 2.02Å; C94-C99 PolarHBondContact SG-SG 3.3Å |
| 95 | F | 94.6 | Very high | 83.3 | Confident | 126 Ų | 126 | 79.1 Ų | 79.1 | 55% | 0.553 | 43% | 0.429 | S | S | * | . | trans | -124.8 | 34.3 | -164.4 | -58.9 | -97.6 | 0 | 0 | 0 | 112.9 | T48 A49 | T48-F95 WeakPolarHBondContact O-CD1 3.46Å; A49-F95 HydrophobicContact CB-CD1 3.8Å; A49-F95 HydrophobicContact CB-CE1 3.61Å; A49-F95 HydrophobicContact CB-CG 4.46Å; A49-F95 HydrophobicContact CB-CZ 4.13Å | ||
| 96 | R | 94.1 | Very high | 84.4 | Confident | 199 Ų | 199 | 73.8 Ų | 73.8 | 75% | 0.751 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -135.7 | 155.9 | -179.5 | -68.4 | -179.4 | -177.8 | -97 | 0.1 | 110.2 | L98 C99 | R96-L98 PolarHBondContact O-N 3.15Å; R96-C99 HydrophobicContact CB-CB 4.04Å; R96-C99 WeakPolarHBondContact O-CB 3.2Å; R96-C99 PolarHBondContact O-N 3.07Å; R96-C99 PolarHBondContact O-SG 3.5Å |
| 97 | D | 95.9 | Very high | 85.9 | Confident | 89 Ų | 89 | 73.6 Ų | 73.6 | 48% | 0.476 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 128.3 | 176.1 | -67.8 | -40.7 | 0 | 0 | 0 | 111.3 | L23 K24 C99 | L23-D97 WeakPolarHBondContact CA-OD1 3.19Å; K24-D97 HydrophobicContact CB-CB 4.29Å; K24-D97 PolarHBondContact N-OD1 3.12Å; K24-D97 CarbonylContact O-C 3.52Å; K24-D97 VanDerWaalsContact O-CA 3.3Å; K24-D97 WeakPolarHBondContact O-CA 3.41Å; D97-C99 PolarHBondContact O-N 3.36Å; D97-C99 VanDerWaalsContact O-N 3.09Å |
| 98 | L | 95.8 | Very high | 87.6 | Confident | 52 Ų | 52 | 75.1 Ų | 75.1 | 27% | 0.272 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | 24.5 | 174.8 | -52.7 | 179 | 0 | 0 | 0 | 113.7 | K24 Y26 I40 R96 N100 | K24-L98 HydrophobicContact CB-CD2 3.95Å; K24-L98 HydrophobicContact CB-CG 4.26Å; K24-L98 PolarHBondContact O-N 3.38Å; Y26-L98 HydrophobicContact CD2-CB 4.34Å; Y26-L98 HydrophobicContact CD2-CD2 4.36Å; Y26-L98 HydrophobicContact CE1-CD2 4.44Å; Y26-L98 HydrophobicContact CE2-CB 3.76Å; Y26-L98 HydrophobicContact CE2-CD2 4.12Å; Y26-L98 HydrophobicContact CE2-CG 4.42Å; I40-L98 HydrophobicContact CB-CD2 4.49Å; I40-L98 HydrophobicContact CD1-CD1 4.41Å; I40-L98 HydrophobicContact CG1-CD2 4.04Å; I40-L98 HydrophobicContact CG2-CD2 3.98Å; R96-L98 PolarHBondContact O-N 3.15Å; L98-N100 PolarHBondContact O-N 3.42Å |
| 99 | C | 95.6 | Very high | 89.4 | Confident | 45 Ų | 45 | 75.9 Ų | 75.9 | 30% | 0.304 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -18.6 | -176.9 | 61.5 | 0 | 0 | 0 | 0 | 114.2 | C50 C94 R96 D97 S101 | C50-C99 VanDerWaalsContact SG-SG 3.64Å; C94-C99 HydrophobicContact CB-CB 3.76Å; C94-C99 WeakPolarHBondContact CB-SG 3.44Å; C94-C99 WeakPolarHBondContact SG-CB 3.42Å; C94-C99 CovalentContact SG-SG 2.02Å; C94-C99 PolarHBondContact SG-SG 3.3Å; R96-C99 HydrophobicContact CB-CB 4.04Å; R96-C99 WeakPolarHBondContact O-CB 3.2Å; R96-C99 PolarHBondContact O-N 3.07Å; R96-C99 PolarHBondContact O-SG 3.5Å; D97-C99 PolarHBondContact O-N 3.36Å; D97-C99 VanDerWaalsContact O-N 3.09Å; C99-S101 VanDerWaalsContact C-N 3.29Å; C99-S101 PolarHBondContact O-N 3.47Å |
| 100 | N | 95.1 | Very high | 90.7 | Very high | 4 Ų | 4 | 75.2 Ų | 75.2 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 35 | 179.6 | 66.8 | -26.8 | 0 | 0 | 0 | 112.5 | Y26 C50 T52 R71 L98 | Y26-N100 PolarHBondContact N-OD1 2.02Å; Y26-N100 PolarHBondContact O-ND2 3.41Å; C50-N100 HydrophobicContact CB-CB 3.98Å; T52-N100 WeakPolarHBondContact OG1-CB 3.37Å; R71-N100 WeakPolarHBondContact CD-O 3.38Å; R71-N100 VanDerWaalsContact CZ-O 3.27Å; R71-N100 PolarHBondContact NE-O 3.38Å; R71-N100 PolarHBondContact NH2-O 3.18Å; L98-N100 PolarHBondContact O-N 3.42Å |
| 101 | S | 90.9 | Very high | 91.2 | Very high | 36 Ų | 36 | 76.4 Ų | 76.4 | 25% | 0.252 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -65.8 | -39.7 | 179.9 | 47.4 | 0 | 0 | 0 | 0 | 113.1 | Y26 K38 R71 C99 | Y26-S101 VanDerWaalsContact CD2-CA 3.48Å; K38-S101 WeakPolarHBondContact CE-O 3.4Å; K38-S101 PolarHBondContact NZ-O 3.49Å; R71-S101 PolarHBondContact NH2-O 3.46Å; C99-S101 VanDerWaalsContact C-N 3.29Å; C99-S101 PolarHBondContact O-N 3.47Å |
| 102 | E | 81.6 | Confident | 91.3 | Very high | 124 Ų | 124 | 79.3 Ų | 79.3 | 58% | 0.579 | 38% | 0.384 | S | S | * | . | trans | -119.9 | 157.3 | -175.7 | -52.2 | -48.4 | 144.2 | 0 | 0 | 111.1 | K38 | K38-E102 IonicContact NZ-OE1 2.7Å; K38-E102 PolarHBondContact NZ-OE1 3.36Å; K38-E102 IonicContact NZ-OE2 2.94Å; K38-E102 PolarHBondContact NZ-OE2 2.97Å | ||
| 103 | L | 71.8 | Confident | 91.3 | Very high | 99 Ų | 99 | 76.5 Ų | 76.5 | 52% | 0.518 | 38% | 0.38 | S | S | . | . | trans | -125.4 | 0 | 163.9 | -174.7 | 81 | 0 | 0 | 0 | 106.6 | T52 L54 P67 V69 Y92 | T52-L103 HydrophobicContact CG2-CD1 4.19Å; L54-L103 HydrophobicContact CB-CD2 4.42Å; L54-L103 HydrophobicContact CD1-CD2 3.66Å; L54-L103 HydrophobicContact CG-CD2 3.89Å; P67-L103 HydrophobicContact CB-CD2 3.95Å; P67-L103 HydrophobicContact CG-CD2 3.91Å; V69-L103 HydrophobicContact CG1-CB 4.45Å; V69-L103 HydrophobicContact CG1-CD2 3.41Å; V69-L103 VanDerWaalsContact CG1-CD2 3.41Å; V69-L103 HydrophobicContact CG1-CG 4.4Å; Y92-L103 HydrophobicContact CD2-CD1 3.71Å; Y92-L103 HydrophobicContact CE2-CD1 3.7Å; Y92-L103 HydrophobicContact CG-CD1 4.46Å |
Retrieved 103 of 103 residues in 263.2 ms
(Link to these results)