| 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 | 65.2 | Low | 71.3 | Confident | 184 Ų | 184 | 136.2 Ų | 136.2 | 91% | 0.906 | 69% | 0.694 | S | S | * | * | 0 | 116 | 0 | -177.8 | 177.5 | 167.5 | 0 | 0 | 108.4 | C236 | M1-C236 HydrophobicContact CE-CB 3.87Å; M1-C236 VanDerWaalsContact CE-SG 3.57Å; M1-C236 VanDerWaalsContact SD-SG 3.69Å | |||
| 2 | V | 83.9 | Confident | 70.3 | Confident | 110 Ų | 110 | 128.3 Ų | 128.3 | 67% | 0.667 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -102 | 120.1 | 173.5 | -179.1 | 0 | 0 | 0 | 0 | 106.7 | F4 | V2-F4 HydrophobicContact CB-CE2 3.96Å; V2-F4 HydrophobicContact CB-CZ 4.09Å; V2-F4 HydrophobicContact CG1-CD1 4.45Å; V2-F4 HydrophobicContact CG1-CD2 4.31Å; V2-F4 HydrophobicContact CG1-CE1 3.88Å; V2-F4 HydrophobicContact CG1-CE2 3.72Å; V2-F4 HydrophobicContact CG1-CZ 3.49Å; V2-F4 VanDerWaalsContact CG1-CZ 3.49Å |
| 3 | C | 85.4 | Confident | 69.4 | Low | 105 Ų | 105 | 129.1 Ų | 129.1 | 71% | 0.709 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 123.6 | 174.7 | -64.4 | 0 | 0 | 0 | 0 | 109 | ||
| 4 | F | 84.6 | Confident | 68.9 | Low | 187 Ų | 187 | 126.6 Ų | 126.6 | 82% | 0.82 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 136.6 | 172.4 | -62 | -82.1 | 0 | 0 | 0 | 109.6 | V2 | V2-F4 HydrophobicContact CB-CE2 3.96Å; V2-F4 HydrophobicContact CB-CZ 4.09Å; V2-F4 HydrophobicContact CG1-CD1 4.45Å; V2-F4 HydrophobicContact CG1-CD2 4.31Å; V2-F4 HydrophobicContact CG1-CE1 3.88Å; V2-F4 HydrophobicContact CG1-CE2 3.72Å; V2-F4 HydrophobicContact CG1-CZ 3.49Å; V2-F4 VanDerWaalsContact CG1-CZ 3.49Å |
| 5 | R | 75.6 | Confident | 68.3 | Low | 117 Ų | 117 | 122.9 Ų | 122.9 | 44% | 0.442 | 65% | 0.652 | S | S | . | * | trans | -121.7 | 120 | 172.7 | -176.3 | 178.6 | 174.1 | 110.9 | 0.4 | 108.1 | F7 | R5-F7 HydrophobicContact CG-CD2 4.43Å; R5-F7 HydrophobicContact CG-CE2 4.09Å | ||
| 6 | A | 72.8 | Confident | 68.2 | Low | 69 Ų | 69 | 119.1 Ų | 119.1 | 57% | 0.57 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 129 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | S17 | A6-S17 WeakPolarHBondContact O-CB 3.2Š|
| 7 | F | 66.8 | Low | 68.3 | Low | 150 Ų | 150 | 113.8 Ų | 113.8 | 66% | 0.658 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 121.4 | 165.3 | -72.6 | -92.3 | 0 | 0 | 0 | 107.1 | R5 | R5-F7 HydrophobicContact CG-CD2 4.43Å; R5-F7 HydrophobicContact CG-CE2 4.09Å |
| 8 | I | 69.3 | Low | 68.8 | Low | 91 Ų | 91 | 110.3 Ų | 110.3 | 47% | 0.467 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -101.1 | 117.4 | 176 | -64.8 | 165.7 | 0 | 0 | 0 | 105.3 | S16 | I8-S16 WeakPolarHBondContact CD1-OG 3.36Š|
| 9 | D | 59.3 | Low | 69.7 | Low | 143 Ų | 143 | 109.2 Ų | 109.2 | 77% | 0.765 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 140.5 | -173.2 | -68.2 | -50.6 | 0 | 0 | 0 | 112.7 | K11 | D9-K11 PolarHBondContact O-N 3.01Š|
| 10 | D | 58.9 | Low | 70.6 | Confident | 140 Ų | 140 | 113.7 Ų | 113.7 | 75% | 0.749 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | 21.3 | -166.7 | -54.2 | -47.3 | 0 | 0 | 0 | 116.5 | S12 | D10-S12 VanDerWaalsContact C-N 3.32Š|
| 11 | K | 62.2 | Low | 71.4 | Confident | 202 Ų | 202 | 113 Ų | 113 | 88% | 0.878 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -12.2 | 175 | -154.6 | 169.9 | -159.4 | -62 | 0 | 112.9 | D9 | D9-K11 PolarHBondContact O-N 3.01Š|
| 12 | S | 59.2 | Low | 72.5 | Confident | 42 Ų | 42 | 106.8 Ų | 106.8 | 29% | 0.294 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -91.5 | 126.9 | 170.3 | 167.3 | 0 | 0 | 0 | 0 | 109.1 | D10 V14 | D10-S12 VanDerWaalsContact C-N 3.32Å; S12-V14 CarbonylContact O-C 3.39Å; S12-V14 PolarHBondContact O-N 3.42Å; S12-V14 WeakPolarHBondContact OG-CG2 2.94Å; S12-V14 PolarHBondContact OG-N 3.31Å; S12-V14 PolarHBondContact OG-O 3.04Å |
| 13 | P | 59.5 | Low | 72.8 | Confident | 138 Ų | 138 | 104.4 Ų | 104.4 | 90% | 0.896 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -63.8 | -3.5 | 175.1 | 26.8 | -33.5 | 0 | 0 | 0 | 113.5 | ||
| 14 | V | 62 | Low | 73.2 | Confident | 95 Ų | 95 | 107.3 Ų | 107.3 | 58% | 0.576 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -112.2 | 111 | 167.5 | -66 | 0 | 0 | 0 | 0 | 108.3 | S12 S16 | S12-V14 CarbonylContact O-C 3.39Å; S12-V14 PolarHBondContact O-N 3.42Å; S12-V14 WeakPolarHBondContact OG-CG2 2.94Å; S12-V14 PolarHBondContact OG-N 3.31Å; S12-V14 PolarHBondContact OG-O 3.04Å; V14-S16 PolarHBondContact O-N 3.42Å |
| 15 | N | 60.4 | Low | 73.6 | Confident | 71 Ų | 71 | 99.7 Ų | 99.7 | 38% | 0.38 | 53% | 0.534 | S | S | . | . | trans | -68.3 | 80.8 | 167.3 | -63.8 | -29.5 | 0 | 0 | 0 | 107.6 | S17 L18 | N15-S17 PolarHBondContact O-N 2.97Å; N15-L18 HydrophobicContact CB-CB 4.39Å; N15-L18 HydrophobicContact CB-CD1 3.69Å; N15-L18 HydrophobicContact CB-CG 4.37Å; N15-L18 PolarHBondContact O-N 3.38Å | ||
| 16 | S | 65.5 | Low | 74.3 | Confident | 61 Ų | 61 | 95.3 Ų | 95.3 | 43% | 0.427 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -7.4 | -174.8 | 47.6 | 0 | 0 | 0 | 0 | 113.6 | I8 V14 | I8-S16 WeakPolarHBondContact CD1-OG 3.36Å; V14-S16 PolarHBondContact O-N 3.42Å |
| 17 | S | 70.2 | Confident | 75.2 | Confident | 29 Ų | 29 | 97.7 Ų | 97.7 | 20% | 0.203 | 53% | 0.533 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -9.4 | 170.5 | 60.3 | 0 | 0 | 0 | 0 | 114.5 | A6 N15 | A6-S17 WeakPolarHBondContact O-CB 3.2Å; N15-S17 PolarHBondContact O-N 2.97Å |
| 18 | L | 78.1 | Confident | 76.2 | Confident | 51 Ų | 51 | 95.6 Ų | 95.6 | 27% | 0.267 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -102.5 | 149.8 | 175.5 | -74.3 | 158.6 | 0 | 0 | 0 | 109.4 | N15 R20 | N15-L18 HydrophobicContact CB-CB 4.39Å; N15-L18 HydrophobicContact CB-CD1 3.69Å; N15-L18 HydrophobicContact CB-CG 4.37Å; N15-L18 PolarHBondContact O-N 3.38Å; L18-R20 PolarHBondContact O-N 3.18Å |
| 19 | V | 85.4 | Confident | 77.3 | Confident | 89 Ų | 89 | 95.9 Ų | 95.9 | 54% | 0.539 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 124.6 | 173.5 | 179.6 | 0 | 0 | 0 | 0 | 107.9 | T23 C31 | V19-T23 VanDerWaalsContact CG1-CB 3.42Å; V19-T23 HydrophobicContact CG1-CG2 3.72Å; V19-T23 WeakPolarHBondContact CG1-OG1 3.3Å; V19-C31 HydrophobicContact CG1-CB 4.1Å |
| 20 | R | 86.8 | Confident | 78.8 | Confident | 199 Ų | 199 | 90.5 Ų | 90.5 | 75% | 0.751 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 143 | -177.8 | -73.4 | -179.8 | -102.8 | 179.5 | -4.5 | 110 | L18 G22 T23 | L18-R20 PolarHBondContact O-N 3.18Å; R20-G22 PolarHBondContact O-N 3.16Å; R20-T23 VanDerWaalsContact O-CB 3.31Å; R20-T23 WeakPolarHBondContact O-CB 3.12Å; R20-T23 PolarHBondContact O-N 3.23Å; R20-T23 VanDerWaalsContact O-N 3.13Å; R20-T23 PolarHBondContact O-OG1 3.46Å |
| 21 | D | 88.2 | Confident | 80.4 | Confident | 101 Ų | 101 | 84.6 Ų | 84.6 | 54% | 0.54 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 140 | 170.2 | -68.8 | -21.2 | 0 | 0 | 0 | 109.6 | C31 K32 S33 | D21-C31 CarbonylContact C-O 3.59Å; D21-C31 WeakPolarHBondContact CA-O 3.04Å; D21-K32 WeakPolarHBondContact OD1-CA 3.32Å; D21-S33 PolarHBondContact OD1-N 2.8Å |
| 22 | G | 87.7 | Confident | 81.7 | Confident | 53 Ų | 53 | 79.3 Ų | 79.3 | 55% | 0.546 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.9 | -11.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115 | R20 K24 C31 | R20-G22 PolarHBondContact O-N 3.16Å; G22-K24 PolarHBondContact O-N 3.24Å; G22-C31 PolarHBondContact N-O 3.2Å |
| 23 | T | 90.9 | Very high | 83 | Confident | 60 Ų | 60 | 82 Ų | 82 | 37% | 0.368 | 46% | 0.463 | S | S | . | . | trans | -68.1 | 133.4 | 179 | -52 | 0 | 0 | 0 | 0 | 111.1 | V19 R20 C25 L30 C31 | V19-T23 VanDerWaalsContact CG1-CB 3.42Å; V19-T23 HydrophobicContact CG1-CG2 3.72Å; V19-T23 WeakPolarHBondContact CG1-OG1 3.3Å; R20-T23 VanDerWaalsContact O-CB 3.31Å; R20-T23 WeakPolarHBondContact O-CB 3.12Å; R20-T23 PolarHBondContact O-N 3.23Å; R20-T23 VanDerWaalsContact O-N 3.13Å; R20-T23 PolarHBondContact O-OG1 3.46Å; T23-C25 PolarHBondContact O-N 3.22Å; T23-L30 CarbonylContact O-C 3.47Å; T23-L30 VanDerWaalsContact O-CA 3.28Å; T23-L30 WeakPolarHBondContact O-CA 3.47Å; T23-C31 PolarHBondContact O-N 3.08Å | ||
| 24 | K | 93 | Very high | 84.2 | Confident | 166 Ų | 166 | 82.3 Ų | 82.3 | 72% | 0.722 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 122.7 | 174.9 | -174.5 | -173.8 | 178.9 | -165.6 | 0 | 110 | G22 G26 | G22-K24 PolarHBondContact O-N 3.24Å; K24-G26 WeakPolarHBondContact CE-O 3.44Å; K24-G26 WeakPolarHBondContact CG-O 3.23Å |
| 25 | C | 93.6 | Very high | 85.5 | Confident | 26 Ų | 26 | 79.2 Ų | 79.2 | 18% | 0.176 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | -1.1 | 177.2 | 59.5 | 0 | 0 | 0 | 0 | 113.2 | T23 K29 L30 C36 | T23-C25 PolarHBondContact O-N 3.22Å; C25-K29 PolarHBondContact N-O 2.81Å; C25-K29 VanDerWaalsContact N-O 3.12Å; C25-K29 VanDerWaalsContact SG-C 3.56Å; C25-L30 VanDerWaalsContact SG-CA 3.5Å; C25-L30 PolarHBondContact SG-N 2.93Å; C25-L30 VanDerWaalsContact SG-N 3.44Å; C25-C36 HydrophobicContact CB-CB 3.87Å; C25-C36 WeakPolarHBondContact CB-SG 3.47Å; C25-C36 WeakPolarHBondContact SG-CA 3.45Å; C25-C36 WeakPolarHBondContact SG-CB 3.26Å; C25-C36 CovalentContact SG-SG 2.03Å; C25-C36 PolarHBondContact SG-SG 3.41Å |
| 26 | G | 90.9 | Very high | 87.1 | Confident | 25 Ų | 25 | 79.2 Ų | 79.2 | 26% | 0.258 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.6 | -173.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | K24 N28 K29 | K24-G26 WeakPolarHBondContact CE-O 3.44Å; K24-G26 WeakPolarHBondContact CG-O 3.23Å; G26-N28 PolarHBondContact O-N 3.06Å; G26-K29 PolarHBondContact N-O 2.74Å; G26-K29 PolarHBondContact O-N 3.45Å |
| 27 | T | 91.7 | Very high | 88.3 | Confident | 119 Ų | 119 | 78 Ų | 78 | 73% | 0.73 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 123.9 | 171.3 | -47.9 | 0 | 0 | 0 | 0 | 109.5 | K29 | T27-K29 PolarHBondContact O-N 3.36Å; T27-K29 VanDerWaalsContact O-N 3.15Å |
| 28 | N | 87.2 | Confident | 89.3 | Confident | 106 Ų | 106 | 79.8 Ų | 79.8 | 57% | 0.567 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 29.5 | -175.3 | -60.1 | -29.7 | 0 | 0 | 0 | 114.6 | G26 H38 V39 | G26-N28 PolarHBondContact O-N 3.06Å; N28-H38 WeakPolarHBondContact O-CA 3.12Å; N28-H38 PolarHBondContact O-CD2 2.71Å; N28-H38 VanDerWaalsContact O-CD2 3.24Å; N28-V39 VanDerWaalsContact C-CG2 3.41Å; N28-V39 WeakPolarHBondContact O-CG2 3.32Å; N28-V39 PolarHBondContact O-N 3.38Å |
| 29 | K | 91.8 | Very high | 89.6 | Confident | 98 Ų | 98 | 79 Ų | 79 | 43% | 0.426 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 143.1 | 178.4 | -62.7 | 177.4 | -174.2 | -179.8 | 0 | 112.4 | C25 G26 T27 T37 | C25-K29 PolarHBondContact N-O 2.81Å; C25-K29 VanDerWaalsContact N-O 3.12Å; C25-K29 VanDerWaalsContact SG-C 3.56Å; G26-K29 PolarHBondContact N-O 2.74Å; G26-K29 PolarHBondContact O-N 3.45Å; T27-K29 PolarHBondContact O-N 3.36Å; T27-K29 VanDerWaalsContact O-N 3.15Å; K29-T37 CarbonylContact C-O 3.57Å; K29-T37 VanDerWaalsContact CA-O 3.26Å; K29-T37 WeakPolarHBondContact CA-O 3.45Å |
| 30 | L | 91.4 | Very high | 89.5 | Confident | 30 Ų | 30 | 80.5 Ų | 80.5 | 16% | 0.157 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 157.1 | 176.9 | 71.2 | 81.6 | 0 | 0 | 0 | 111.9 | T23 C25 K32 T37 V39 I42 | T23-L30 CarbonylContact O-C 3.47Å; T23-L30 VanDerWaalsContact O-CA 3.28Å; T23-L30 WeakPolarHBondContact O-CA 3.47Å; C25-L30 VanDerWaalsContact SG-CA 3.5Å; C25-L30 PolarHBondContact SG-N 2.93Å; C25-L30 VanDerWaalsContact SG-N 3.44Å; L30-K32 HydrophobicContact CD1-CB 4.36Å; L30-T37 PolarHBondContact N-O 3.01Å; L30-T37 PolarHBondContact O-N 2.9Å; L30-T37 PolarHBondContact O-OG1 3.11Å; L30-V39 HydrophobicContact CD2-CG2 4.12Å; L30-V39 HydrophobicContact CG-CG2 4.49Å; L30-I42 HydrophobicContact CD1-CD1 3.11Å; L30-I42 HydrophobicContact CD1-CG1 4.37Å; L30-I42 HydrophobicContact CD1-CG2 4.23Å; L30-I42 HydrophobicContact CD2-CD1 3.91Å; L30-I42 HydrophobicContact CD2-CG2 4.47Å; L30-I42 HydrophobicContact CG-CD1 3.37Å |
| 31 | C | 92.6 | Very high | 88.9 | Confident | 16 Ų | 16 | 77.9 Ų | 77.9 | 11% | 0.108 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 127.5 | 177.5 | -70.4 | 0 | 0 | 0 | 0 | 111.1 | V19 D21 G22 T23 G35 | V19-C31 HydrophobicContact CG1-CB 4.1Å; D21-C31 CarbonylContact C-O 3.59Å; D21-C31 WeakPolarHBondContact CA-O 3.04Å; G22-C31 PolarHBondContact N-O 3.2Å; T23-C31 PolarHBondContact O-N 3.08Å; C31-G35 CarbonylContact C-O 2.98Å; C31-G35 VanDerWaalsContact CA-O 3.28Å; C31-G35 WeakPolarHBondContact CA-O 3.06Å |
| 32 | K | 90.2 | Very high | 88.1 | Confident | 91 Ų | 91 | 75 Ų | 75 | 40% | 0.396 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 126.8 | 170.8 | 179.3 | 177.4 | 177.3 | -177.6 | 0 | 109.2 | D21 L30 Q34 G35 I42 | D21-K32 WeakPolarHBondContact OD1-CA 3.32Å; L30-K32 HydrophobicContact CD1-CB 4.36Å; K32-Q34 PolarHBondContact O-N 3.4Å; K32-G35 PolarHBondContact N-O 3.17Å; K32-G35 PolarHBondContact O-N 3.47Å; K32-I42 HydrophobicContact CB-CD1 4.09Å; K32-I42 HydrophobicContact CD-CB 4.45Å; K32-I42 HydrophobicContact CD-CD1 4.12Å; K32-I42 HydrophobicContact CD-CG1 3.74Å; K32-I42 HydrophobicContact CD-CG2 4.04Å |
| 33 | S | 85.7 | Confident | 87.1 | Confident | 98 Ų | 98 | 78.9 Ų | 78.9 | 69% | 0.685 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 41.7 | -178.3 | -55.4 | 0 | 0 | 0 | 0 | 112.4 | D21 G35 | D21-S33 PolarHBondContact OD1-N 2.8Å; S33-G35 PolarHBondContact O-N 2.81Å; S33-G35 VanDerWaalsContact O-N 3.16Å |
| 34 | Q | 85.5 | Confident | 85.7 | Confident | 145 Ų | 145 | 84.6 Ų | 84.6 | 68% | 0.678 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 3.8 | -176.6 | -49.2 | 174.1 | 22.9 | 0 | 0 | 115.6 | K32 | K32-Q34 PolarHBondContact O-N 3.4Š|
| 35 | G | 89.3 | Confident | 84.1 | Confident | 30 Ų | 30 | 84.3 Ų | 84.3 | 31% | 0.309 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 146.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | C31 K32 S33 | C31-G35 CarbonylContact C-O 2.98Å; C31-G35 VanDerWaalsContact CA-O 3.28Å; C31-G35 WeakPolarHBondContact CA-O 3.06Å; K32-G35 PolarHBondContact N-O 3.17Å; K32-G35 PolarHBondContact O-N 3.47Å; S33-G35 PolarHBondContact O-N 2.81Å; S33-G35 VanDerWaalsContact O-N 3.16Å |
| 36 | C | 93.2 | Very high | 82.8 | Confident | 70 Ų | 70 | 84.8 Ų | 84.8 | 47% | 0.473 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 106.5 | 171.9 | -176.2 | 0 | 0 | 0 | 0 | 109.5 | C25 | C25-C36 HydrophobicContact CB-CB 3.87Å; C25-C36 WeakPolarHBondContact CB-SG 3.47Å; C25-C36 WeakPolarHBondContact SG-CA 3.45Å; C25-C36 WeakPolarHBondContact SG-CB 3.26Å; C25-C36 CovalentContact SG-SG 2.03Å; C25-C36 PolarHBondContact SG-SG 3.41Å |
| 37 | T | 91.5 | Very high | 82 | Confident | 37 Ų | 37 | 88.5 Ų | 88.5 | 23% | 0.227 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 152.9 | -173.5 | 44.7 | 0 | 0 | 0 | 0 | 111.4 | K29 L30 I42 | K29-T37 CarbonylContact C-O 3.57Å; K29-T37 VanDerWaalsContact CA-O 3.26Å; K29-T37 WeakPolarHBondContact CA-O 3.45Å; L30-T37 PolarHBondContact N-O 3.01Å; L30-T37 PolarHBondContact O-N 2.9Å; L30-T37 PolarHBondContact O-OG1 3.11Å; T37-I42 WeakPolarHBondContact OG1-CD1 3.43Å |
| 38 | H | 90.6 | Very high | 81.8 | Confident | 66 Ų | 66 | 83.4 Ų | 83.4 | 31% | 0.306 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 140.8 | 178.5 | -149.7 | -102.7 | 0 | 0 | 0 | 110.4 | N28 D40 Q41 | N28-H38 WeakPolarHBondContact O-CA 3.12Å; N28-H38 PolarHBondContact O-CD2 2.71Å; N28-H38 VanDerWaalsContact O-CD2 3.24Å; H38-D40 IonicContact CE1-OD2 3.05Å; H38-D40 PolarHBondContact CE1-OD2 3.38Å; H38-D40 IonicContact ND1-OD2 2.71Å; H38-D40 PolarHBondContact ND1-OD2 2.89Å; H38-D40 PolarHBondContact O-N 3.3Å; H38-D40 VanDerWaalsContact O-N 3.16Å; H38-Q41 PolarHBondContact O-N 3.24Å |
| 39 | V | 85.6 | Confident | 81.7 | Confident | 34 Ų | 34 | 80 Ų | 80 | 21% | 0.206 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -55 | -36.8 | -177.6 | 173.8 | 0 | 0 | 0 | 0 | 111 | N28 L30 Q41 I42 Q43 | N28-V39 VanDerWaalsContact C-CG2 3.41Å; N28-V39 WeakPolarHBondContact O-CG2 3.32Å; N28-V39 PolarHBondContact O-N 3.38Å; L30-V39 HydrophobicContact CD2-CG2 4.12Å; L30-V39 HydrophobicContact CG-CG2 4.49Å; V39-Q41 PolarHBondContact O-N 2.84Å; V39-Q41 VanDerWaalsContact O-N 3.1Å; V39-I42 PolarHBondContact O-N 2.94Å; V39-Q43 HydrophobicContact CG1-CB 4.37Å; V39-Q43 VanDerWaalsContact CG1-OE1 3.24Å; V39-Q43 WeakPolarHBondContact O-CB 3.24Å; V39-Q43 PolarHBondContact O-N 3.25Å |
| 40 | D | 82.4 | Confident | 81.5 | Confident | 121 Ų | 121 | 77.8 Ų | 77.8 | 65% | 0.647 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -58.3 | -24.4 | 179.1 | -55.8 | -32.2 | 0 | 0 | 0 | 114.4 | H38 I42 | H38-D40 IonicContact CE1-OD2 3.05Å; H38-D40 PolarHBondContact CE1-OD2 3.38Å; H38-D40 IonicContact ND1-OD2 2.71Å; H38-D40 PolarHBondContact ND1-OD2 2.89Å; H38-D40 PolarHBondContact O-N 3.3Å; H38-D40 VanDerWaalsContact O-N 3.16Å; D40-I42 VanDerWaalsContact C-N 3.33Å |
| 41 | Q | 74.4 | Confident | 81 | Confident | 143 Ų | 143 | 82.4 Ų | 82.4 | 67% | 0.668 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -85.9 | -6.6 | -179.8 | -65.1 | -177.7 | 4.7 | 0 | 0 | 113.4 | H38 V39 | H38-Q41 PolarHBondContact O-N 3.24Å; V39-Q41 PolarHBondContact O-N 2.84Å; V39-Q41 VanDerWaalsContact O-N 3.1Å |
| 42 | I | 72 | Confident | 80.3 | Confident | 42 Ų | 42 | 85.4 Ų | 85.4 | 22% | 0.215 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.3 | -36.9 | -165.6 | -51.1 | 165.6 | 0 | 0 | 0 | 110.3 | L30 K32 T37 V39 D40 Q44 | L30-I42 HydrophobicContact CD1-CD1 3.11Å; L30-I42 HydrophobicContact CD1-CG1 4.37Å; L30-I42 HydrophobicContact CD1-CG2 4.23Å; L30-I42 HydrophobicContact CD2-CD1 3.91Å; L30-I42 HydrophobicContact CD2-CG2 4.47Å; L30-I42 HydrophobicContact CG-CD1 3.37Å; K32-I42 HydrophobicContact CB-CD1 4.09Å; K32-I42 HydrophobicContact CD-CB 4.45Å; K32-I42 HydrophobicContact CD-CD1 4.12Å; K32-I42 HydrophobicContact CD-CG1 3.74Å; K32-I42 HydrophobicContact CD-CG2 4.04Å; T37-I42 WeakPolarHBondContact OG1-CD1 3.43Å; V39-I42 PolarHBondContact O-N 2.94Å; D40-I42 VanDerWaalsContact C-N 3.33Å; I42-Q44 PolarHBondContact O-N 2.86Å |
| 43 | Q | 65.3 | Low | 79.6 | Confident | 133 Ų | 133 | 88.1 Ų | 88.1 | 62% | 0.621 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -63.8 | 104 | 170.6 | -153.4 | 140.7 | 36.8 | 0 | 0 | 106.9 | V39 K45 | V39-Q43 HydrophobicContact CG1-CB 4.37Å; V39-Q43 VanDerWaalsContact CG1-OE1 3.24Å; V39-Q43 WeakPolarHBondContact O-CB 3.24Å; V39-Q43 PolarHBondContact O-N 3.25Å; Q43-K45 VanDerWaalsContact C-N 3.28Å; Q43-K45 PolarHBondContact O-N 2.96Å |
| 44 | Q | 61.1 | Low | 79.3 | Confident | 181 Ų | 181 | 87.7 Ų | 87.7 | 85% | 0.846 | 48% | 0.481 | S | S | * | . | trans | -53.4 | 109.8 | 154.8 | -67.8 | -175.9 | 28.2 | 0 | 0 | 103.8 | I42 A46 | I42-Q44 PolarHBondContact O-N 2.86Å; Q44-A46 VanDerWaalsContact C-N 3.33Å; Q44-A46 PolarHBondContact O-N 2.65Å | ||
| 45 | K | 61.2 | Low | 79.2 | Confident | 160 Ų | 160 | 84.8 Ų | 84.8 | 70% | 0.696 | 47% | 0.469 | S | S | * | . | trans | -54.1 | 103.9 | -177.8 | -174.4 | 165.8 | 168.2 | -78.1 | 0 | 106.3 | Q43 D47 | Q43-K45 VanDerWaalsContact C-N 3.28Å; Q43-K45 PolarHBondContact O-N 2.96Å; K45-D47 VanDerWaalsContact C-N 3.28Å; K45-D47 IonicContact NZ-OD1 2.75Å; K45-D47 PolarHBondContact NZ-OD1 3.24Å; K45-D47 PolarHBondContact O-N 3.2Å | ||
| 46 | A | 65.2 | Low | 79 | Confident | 35 Ų | 35 | 89.2 Ų | 89.2 | 29% | 0.289 | 48% | 0.482 | S | S | . | . | trans | -69.1 | 96.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 105.5 | Q44 C48 | Q44-A46 VanDerWaalsContact C-N 3.33Å; Q44-A46 PolarHBondContact O-N 2.65Å; A46-C48 PolarHBondContact O-N 2.95Å | ||
| 47 | D | 74.9 | Confident | 78.9 | Confident | 104 Ų | 104 | 85.9 Ų | 85.9 | 56% | 0.556 | 46% | 0.459 | S | S | * | . | trans | -79.4 | 75.6 | 178.8 | -76.2 | -31.3 | 0 | 0 | 0 | 107.7 | K45 | K45-D47 VanDerWaalsContact C-N 3.28Å; K45-D47 IonicContact NZ-OD1 2.75Å; K45-D47 PolarHBondContact NZ-OD1 3.24Å; K45-D47 PolarHBondContact O-N 3.2Å | ||
| 48 | C | 85.9 | Confident | 78.9 | Confident | 12 Ų | 12 | 84.8 Ų | 84.8 | 8% | 0.081 | 45% | 0.453 | C | S | . | . | trans | -71.9 | 141 | 169.2 | -90.4 | 0 | 0 | 0 | 0 | 110.2 | A46 C63 N67 | A46-C48 PolarHBondContact O-N 2.95Å; C48-C63 HydrophobicContact CB-CB 3.78Å; C48-C63 WeakPolarHBondContact CB-SG 3.37Å; C48-C63 WeakPolarHBondContact SG-CA 3.28Å; C48-C63 WeakPolarHBondContact SG-CB 3.31Å; C48-C63 CovalentContact SG-SG 2.02Å; C48-C63 PolarHBondContact SG-SG 3.16Å; C48-N67 VanDerWaalsContact SG-C 3.57Å | ||
| 49 | P | 86.2 | Confident | 78.9 | Confident | 35 Ų | 35 | 83.4 Ų | 83.4 | 23% | 0.227 | 46% | 0.456 | C | S | . | . | trans | -62.9 | 140.6 | 178.3 | 28.8 | -36.7 | 0 | 0 | 0 | 110.7 | C57 N67 C69 F78 D79 | P49-C57 PolarHBondContact O-N 3.43Å; P49-N67 WeakPolarHBondContact CD-O 3.26Å; P49-C69 PolarHBondContact O-SG 2.85Å; P49-C69 VanDerWaalsContact O-SG 3.39Å; P49-F78 HydrophobicContact CB-CD2 3.46Å; P49-F78 VanDerWaalsContact CB-CD2 3.46Å; P49-F78 HydrophobicContact CB-CE2 3.66Å; P49-F78 HydrophobicContact CG-CD2 3.83Å; P49-F78 WeakPolarHBondContact CG-O 3.49Å; P49-D79 HydrophobicContact CB-CB 4.11Å | ||
| 50 | T | 86.8 | Confident | 79.2 | Confident | 51 Ų | 51 | 84.5 Ų | 84.5 | 31% | 0.313 | 46% | 0.459 | S | S | . | . | trans | -150.6 | 144 | 176.8 | -175.5 | 0 | 0 | 0 | 0 | 110.9 | N52 L55 S58 | T50-N52 VanDerWaalsContact C-N 3.28Å; T50-N52 WeakPolarHBondContact CG2-O 3.31Å; T50-N52 PolarHBondContact OG1-N 3.1Å; T50-N52 PolarHBondContact OG1-O 3.18Å; T50-L55 WeakPolarHBondContact CB-O 3.31Å; T50-L55 PolarHBondContact OG1-O 3.31Å; T50-S58 PolarHBondContact OG1-N 3.48Å | ||
| 51 | N | 82 | Confident | 79.7 | Confident | 126 Ų | 126 | 79.6 Ų | 79.6 | 67% | 0.674 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -81.1 | -11.8 | 167.2 | -169.4 | 15 | 0 | 0 | 0 | 111.9 | S58 D79 | N51-S58 PolarHBondContact N-OG 3.38Å; N51-D79 WeakPolarHBondContact CB-OD2 3.45Å |
| 52 | N | 78 | Confident | 80.5 | Confident | 79 Ų | 79 | 77 Ų | 77 | 42% | 0.422 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -128.8 | 116.4 | -178.4 | -167.3 | -11.4 | 0 | 0 | 0 | 110.6 | T50 A54 L55 | T50-N52 VanDerWaalsContact C-N 3.28Å; T50-N52 WeakPolarHBondContact CG2-O 3.31Å; T50-N52 PolarHBondContact OG1-N 3.1Å; T50-N52 PolarHBondContact OG1-O 3.18Å; N52-A54 PolarHBondContact O-N 3.38Å; N52-A54 PolarHBondContact OD1-N 3.02Å; N52-L55 HydrophobicContact CB-CB 4.46Å; N52-L55 PolarHBondContact O-N 2.84Å |
| 53 | V | 75.7 | Confident | 81.5 | Confident | 149 Ų | 149 | 76.4 Ų | 76.4 | 90% | 0.903 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -25.4 | -174.3 | -174.2 | 0 | 0 | 0 | 0 | 112.8 | ||
| 54 | A | 78 | Confident | 82.6 | Confident | 89 Ų | 89 | 72 Ų | 72 | 74% | 0.736 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -20.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | N52 | N52-A54 PolarHBondContact O-N 3.38Å; N52-A54 PolarHBondContact OD1-N 3.02Å |
| 55 | L | 83.6 | Confident | 83.7 | Confident | 83 Ų | 83 | 70.5 Ų | 70.5 | 44% | 0.435 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -123.4 | 120.6 | -171.2 | -66 | 168.8 | 0 | 0 | 0 | 109.4 | T50 N52 | T50-L55 WeakPolarHBondContact CB-O 3.31Å; T50-L55 PolarHBondContact OG1-O 3.31Å; N52-L55 HydrophobicContact CB-CB 4.46Å; N52-L55 PolarHBondContact O-N 2.84Å |
| 56 | Q | 86.3 | Confident | 84.8 | Confident | 123 Ų | 123 | 69 Ų | 69 | 58% | 0.575 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -65.1 | 142 | 170.7 | -65.6 | 178.1 | 0.9 | 0 | 0 | 109.4 | S58 G59 | Q56-S58 PolarHBondContact O-N 2.79Å; Q56-G59 PolarHBondContact O-N 3.46Å |
| 57 | C | 90.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | 53 | 39.5 | -179.2 | -56.3 | 0 | 0 | 0 | 0 | 113.3 | P49 G59 H60 C69 D79 C80 | P49-C57 PolarHBondContact O-N 3.43Å; C57-G59 PolarHBondContact O-N 2.78Å; C57-H60 PolarHBondContact O-N 3.31Å; C57-C69 WeakPolarHBondContact CA-SG 3.28Å; C57-C69 HydrophobicContact CB-CB 3.59Å; C57-C69 WeakPolarHBondContact CB-SG 3.34Å; C57-C69 WeakPolarHBondContact SG-CA 3.3Å; C57-C69 WeakPolarHBondContact SG-CB 3.47Å; C57-C69 CovalentContact SG-SG 2.03Å; C57-C69 PolarHBondContact SG-SG 2.75Å; C57-D79 CarbonylContact C-O 3.53Å; C57-C80 WeakPolarHBondContact O-CB 3.41Å |
| 58 | S | 90.6 | Very high | 86.5 | Confident | 15 Ų | 15 | 69.4 Ų | 69.4 | 11% | 0.105 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | 52.6 | 15.2 | -176.3 | -50.1 | 0 | 0 | 0 | 0 | 115.3 | T50 N51 Q56 H60 D79 | T50-S58 PolarHBondContact OG1-N 3.48Å; N51-S58 PolarHBondContact N-OG 3.38Å; Q56-S58 PolarHBondContact O-N 2.79Å; S58-H60 VanDerWaalsContact C-N 3.33Å; S58-H60 PolarHBondContact O-CD2 2.85Å; S58-D79 WeakPolarHBondContact CB-O 3.22Å; S58-D79 PolarHBondContact N-O 2.8Å; S58-D79 PolarHBondContact OG-O 3.23Å |
| 59 | G | 91.1 | Very high | 86.8 | Confident | 36 Ų | 36 | 69.8 Ų | 69.8 | 37% | 0.371 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | 79.7 | 11.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q56 C57 | Q56-G59 PolarHBondContact O-N 3.46Å; C57-G59 PolarHBondContact O-N 2.78Å |
| 60 | H | 92.3 | Very high | 87.2 | Confident | 58 Ų | 58 | 74.3 Ų | 74.3 | 27% | 0.269 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -130.7 | 30.8 | -174.8 | -62.2 | -48 | 0 | 0 | 0 | 112.4 | C57 S58 C71 D72 W75 C80 | C57-H60 PolarHBondContact O-N 3.31Å; S58-H60 VanDerWaalsContact C-N 3.33Å; S58-H60 PolarHBondContact O-CD2 2.85Å; H60-C71 WeakPolarHBondContact O-CA 3.38Å; H60-D72 VanDerWaalsContact C-OD2 3.23Å; H60-D72 WeakPolarHBondContact CA-OD2 3.25Å; H60-D72 PolarHBondContact O-N 3.15Å; H60-W75 HydrophobicContact CB-CB 4.02Å; H60-W75 HydrophobicContact CB-CD2 3.57Å; H60-W75 HydrophobicContact CB-CE3 4.09Å; H60-W75 HydrophobicContact CB-CG 3.52Å; H60-W75 AromaticContact CD2-CD2 3.57Å; H60-W75 AromaticContact CD2-CE2 3.46Å; H60-W75 VanDerWaalsContact CD2-CE2 3.46Å; H60-W75 AromaticContact CD2-CE3 3.5Å; H60-W75 AromaticContact CD2-CH2 3.27Å; H60-W75 WeakPolarHBondContact CD2-CH2 3.37Å; H60-W75 AromaticContact CD2-CZ2 3.35Å; H60-W75 WeakPolarHBondContact CD2-CZ2 3.46Å; H60-W75 AromaticContact CD2-CZ3 3.34Å; H60-W75 WeakPolarHBondContact CD2-CZ3 3.28Å; H60-W75 AromaticContact CE1-CE2 3.7Å; H60-W75 AromaticContact CE1-CH2 3.83Å; H60-W75 AromaticContact CE1-CZ2 3.32Å; H60-W75 WeakPolarHBondContact CE1-CZ2 3.4Å; H60-W75 AromaticContact CG-CD1 3.96Å; H60-W75 AromaticContact CG-CD2 3.44Å; H60-W75 VanDerWaalsContact CG-CD2 3.44Å; H60-W75 AromaticContact CG-CE2 3.29Å; H60-W75 AromaticContact CG-CE3 3.85Å; H60-W75 AromaticContact CG-CG 3.89Å; H60-W75 AromaticContact CG-CZ2 3.62Å; H60-W75 AromaticContact CG-NE1 3.59Å; H60-W75 AromaticContact ND1-CE2 3.45Å; H60-W75 AromaticContact ND1-CZ2 3.6Å; H60-W75 AromaticContact ND1-NE1 3.48Å; H60-W75 PolarHBondContact ND1-NE1 2.03Å; H60-W75 AromaticContact NE2-CE2 3.72Å; H60-W75 AromaticContact NE2-CH2 3.14Å; H60-W75 WeakPolarHBondContact NE2-CH2 2.98Å; H60-W75 AromaticContact NE2-CZ2 3.14Å; H60-W75 WeakPolarHBondContact NE2-CZ2 3.43Å; H60-W75 AromaticContact NE2-CZ3 3.74Å; H60-C80 HydrophobicContact CB-CB 4.04Å; H60-C80 WeakPolarHBondContact O-CB 3.38Å |
| 61 | G | 91.8 | Very high | 87.5 | Confident | 17 Ų | 17 | 73.3 Ų | 73.3 | 18% | 0.175 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.6 | 170.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | H70 | G61-H70 CarbonylContact C-O 3.49Å; G61-H70 WeakPolarHBondContact CA-O 3.47Å |
| 62 | T | 92.1 | Very high | 88.1 | Confident | 89 Ų | 89 | 71 Ų | 71 | 55% | 0.546 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 133.2 | 178.2 | -58.1 | 0 | 0 | 0 | 0 | 110.4 | H70 | T62-H70 PolarHBondContact N-O 3.12Å; T62-H70 PolarHBondContact O-N 3.49Å |
| 63 | C | 91.6 | Very high | 88.7 | Confident | 30 Ų | 30 | 73.2 Ų | 73.2 | 20% | 0.203 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 125.4 | 176.7 | -174.8 | 0 | 0 | 0 | 0 | 110.8 | C48 | C48-C63 HydrophobicContact CB-CB 3.78Å; C48-C63 WeakPolarHBondContact CB-SG 3.37Å; C48-C63 WeakPolarHBondContact SG-CA 3.28Å; C48-C63 WeakPolarHBondContact SG-CB 3.31Å; C48-C63 CovalentContact SG-SG 2.02Å; C48-C63 PolarHBondContact SG-SG 3.16Å |
| 64 | T | 88.8 | Confident | 89.3 | Confident | 41 Ų | 41 | 67 Ų | 67 | 25% | 0.252 | 39% | 0.394 | S | S | . | . | trans | -86.6 | 166.7 | 177.6 | 73.7 | 0 | 0 | 0 | 0 | 111.9 | L66 N67 T68 H70 | T64-L66 PolarHBondContact O-N 2.79Å; T64-L66 VanDerWaalsContact O-N 3.08Å; T64-L66 PolarHBondContact OG1-N 3.5Å; T64-N67 PolarHBondContact O-N 2.8Å; T64-N67 VanDerWaalsContact O-N 3.07Å; T64-T68 WeakPolarHBondContact CG2-O 3.45Å; T64-T68 PolarHBondContact N-O 3.47Å; T64-T68 PolarHBondContact OG1-N 2.8Å; T64-T68 PolarHBondContact OG1-O 2.83Å; T64-T68 PolarHBondContact OG1-OG1 3.29Å; T64-H70 HydrophobicContact CG2-CB 4.28Å | ||
| 65 | N | 85 | Confident | 90.1 | Very high | 149 Ų | 149 | 65.5 Ų | 65.5 | 80% | 0.797 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -5.9 | 172.7 | 69.1 | -65.1 | 0 | 0 | 0 | 114 | ||
| 66 | L | 84.9 | Confident | 90.3 | Very high | 128 Ų | 128 | 63.2 Ų | 63.2 | 67% | 0.67 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | 10.2 | 175.3 | -59.6 | 177 | 0 | 0 | 0 | 112.2 | T64 T68 | T64-L66 PolarHBondContact O-N 2.79Å; T64-L66 VanDerWaalsContact O-N 3.08Å; T64-L66 PolarHBondContact OG1-N 3.5Å; L66-T68 HydrophobicContact CB-CG2 4.39Å; L66-T68 PolarHBondContact O-N 3.13Å |
| 67 | N | 85.8 | Confident | 90.4 | Very high | 77 Ų | 77 | 59.6 Ų | 59.6 | 41% | 0.412 | 35% | 0.351 | S | S | . | . | S | Bend | trans | 57.3 | 33.6 | -174.2 | -59.5 | -5.2 | 0 | 0 | 0 | 112.9 | C48 P49 T64 | C48-N67 VanDerWaalsContact SG-C 3.57Å; P49-N67 WeakPolarHBondContact CD-O 3.26Å; T64-N67 PolarHBondContact O-N 2.8Å; T64-N67 VanDerWaalsContact O-N 3.07Å |
| 68 | T | 88.9 | Confident | 90.3 | Very high | 71 Ų | 71 | 66.7 Ų | 66.7 | 44% | 0.436 | 38% | 0.383 | S | S | . | . | trans | -113.1 | 151.8 | 174.1 | 62.6 | 0 | 0 | 0 | 0 | 110.3 | T64 L66 | T64-T68 WeakPolarHBondContact CG2-O 3.45Å; T64-T68 PolarHBondContact N-O 3.47Å; T64-T68 PolarHBondContact OG1-N 2.8Å; T64-T68 PolarHBondContact OG1-O 2.83Å; T64-T68 PolarHBondContact OG1-OG1 3.29Å; L66-T68 HydrophobicContact CB-CG2 4.39Å; L66-T68 PolarHBondContact O-N 3.13Å | ||
| 69 | C | 92.9 | Very high | 90.4 | Very high | 20 Ų | 20 | 66.4 Ų | 66.4 | 14% | 0.135 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 126.4 | 177.9 | -69.7 | 0 | 0 | 0 | 0 | 111.5 | P49 C57 F78 C80 | P49-C69 PolarHBondContact O-SG 2.85Å; P49-C69 VanDerWaalsContact O-SG 3.39Å; C57-C69 WeakPolarHBondContact CA-SG 3.28Å; C57-C69 HydrophobicContact CB-CB 3.59Å; C57-C69 WeakPolarHBondContact CB-SG 3.34Å; C57-C69 WeakPolarHBondContact SG-CA 3.3Å; C57-C69 WeakPolarHBondContact SG-CB 3.47Å; C57-C69 CovalentContact SG-SG 2.03Å; C57-C69 PolarHBondContact SG-SG 2.75Å; C69-F78 WeakPolarHBondContact CB-O 3.46Å; C69-C80 VanDerWaalsContact CB-SG 3.55Å |
| 70 | H | 93.4 | Very high | 90.4 | Very high | 130 Ų | 130 | 64.7 Ų | 64.7 | 60% | 0.602 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 106.9 | 167.1 | -177.7 | 69.7 | 0 | 0 | 0 | 108.9 | G61 T62 T64 | G61-H70 CarbonylContact C-O 3.49Å; G61-H70 WeakPolarHBondContact CA-O 3.47Å; T62-H70 PolarHBondContact N-O 3.12Å; T62-H70 PolarHBondContact O-N 3.49Å; T64-H70 HydrophobicContact CG2-CB 4.28Å |
| 71 | C | 94.1 | Very high | 90.4 | Very high | 30 Ų | 30 | 64.1 Ų | 64.1 | 20% | 0.203 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 145.3 | -171.4 | -54 | 0 | 0 | 0 | 0 | 113.5 | H60 W75 A77 C80 | H60-C71 WeakPolarHBondContact O-CA 3.38Å; C71-W75 HydrophobicContact CB-CB 4.12Å; C71-W75 WeakPolarHBondContact CB-O 3.42Å; C71-A77 PolarHBondContact SG-O 3.42Å; C71-C80 WeakPolarHBondContact CA-SG 3.27Å; C71-C80 HydrophobicContact CB-CB 3.77Å; C71-C80 WeakPolarHBondContact CB-SG 3.27Å; C71-C80 WeakPolarHBondContact SG-CA 3.46Å; C71-C80 WeakPolarHBondContact SG-CB 3.23Å; C71-C80 CovalentContact SG-SG 2.04Å; C71-C80 PolarHBondContact SG-SG 3.36Å |
| 72 | D | 93.8 | Very high | 90.3 | Very high | 78 Ų | 78 | 69.1 Ų | 69.1 | 42% | 0.417 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -66 | 157.8 | 172.6 | -61.3 | -32.3 | 0 | 0 | 0 | 110.9 | H60 G74 W75 | H60-D72 VanDerWaalsContact C-OD2 3.23Å; H60-D72 WeakPolarHBondContact CA-OD2 3.25Å; H60-D72 PolarHBondContact O-N 3.15Å; D72-G74 PolarHBondContact O-N 2.88Å; D72-W75 PolarHBondContact O-N 3.4Å |
| 73 | V | 90.9 | Very high | 90.2 | Very high | 124 Ų | 124 | 71.8 Ų | 71.8 | 75% | 0.752 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 125.4 | -179.8 | -177.7 | 0 | 0 | 0 | 0 | 110.4 | ||
| 74 | G | 89.4 | Confident | 89.9 | Confident | 18 Ų | 18 | 72.1 Ų | 72.1 | 19% | 0.186 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.4 | 0.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | D72 K83 L84 Y88 | D72-G74 PolarHBondContact O-N 2.88Å; G74-K83 CarbonylContact O-C 3.56Å; G74-K83 WeakPolarHBondContact O-CA 3.3Å; G74-L84 PolarHBondContact O-N 2.87Å; G74-Y88 WeakPolarHBondContact CA-OH 3.49Å; G74-Y88 PolarHBondContact N-OH 2.96Å; G74-Y88 VanDerWaalsContact N-OH 3.15Å |
| 75 | W | 93.3 | Very high | 89.4 | Confident | 59 Ų | 59 | 76.1 Ų | 76.1 | 22% | 0.223 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 147.8 | 173.6 | -62.8 | 94 | 0 | 0 | 0 | 111.9 | H60 C71 D72 C80 F82 K83 | H60-W75 HydrophobicContact CB-CB 4.02Å; H60-W75 HydrophobicContact CB-CD2 3.57Å; H60-W75 HydrophobicContact CB-CE3 4.09Å; H60-W75 HydrophobicContact CB-CG 3.52Å; H60-W75 AromaticContact CD2-CD2 3.57Å; H60-W75 AromaticContact CD2-CE2 3.46Å; H60-W75 VanDerWaalsContact CD2-CE2 3.46Å; H60-W75 AromaticContact CD2-CE3 3.5Å; H60-W75 AromaticContact CD2-CH2 3.27Å; H60-W75 WeakPolarHBondContact CD2-CH2 3.37Å; H60-W75 AromaticContact CD2-CZ2 3.35Å; H60-W75 WeakPolarHBondContact CD2-CZ2 3.46Å; H60-W75 AromaticContact CD2-CZ3 3.34Å; H60-W75 WeakPolarHBondContact CD2-CZ3 3.28Å; H60-W75 AromaticContact CE1-CE2 3.7Å; H60-W75 AromaticContact CE1-CH2 3.83Å; H60-W75 AromaticContact CE1-CZ2 3.32Å; H60-W75 WeakPolarHBondContact CE1-CZ2 3.4Å; H60-W75 AromaticContact CG-CD1 3.96Å; H60-W75 AromaticContact CG-CD2 3.44Å; H60-W75 VanDerWaalsContact CG-CD2 3.44Å; H60-W75 AromaticContact CG-CE2 3.29Å; H60-W75 AromaticContact CG-CE3 3.85Å; H60-W75 AromaticContact CG-CG 3.89Å; H60-W75 AromaticContact CG-CZ2 3.62Å; H60-W75 AromaticContact CG-NE1 3.59Å; H60-W75 AromaticContact ND1-CE2 3.45Å; H60-W75 AromaticContact ND1-CZ2 3.6Å; H60-W75 AromaticContact ND1-NE1 3.48Å; H60-W75 PolarHBondContact ND1-NE1 2.03Å; H60-W75 AromaticContact NE2-CE2 3.72Å; H60-W75 AromaticContact NE2-CH2 3.14Å; H60-W75 WeakPolarHBondContact NE2-CH2 2.98Å; H60-W75 AromaticContact NE2-CZ2 3.14Å; H60-W75 WeakPolarHBondContact NE2-CZ2 3.43Å; H60-W75 AromaticContact NE2-CZ3 3.74Å; C71-W75 HydrophobicContact CB-CB 4.12Å; C71-W75 WeakPolarHBondContact CB-O 3.42Å; D72-W75 PolarHBondContact O-N 3.4Å; W75-C80 HydrophobicContact CB-CB 4.41Å; W75-F82 CarbonylContact C-O 3.5Å; W75-F82 WeakPolarHBondContact CA-O 3.35Å; W75-K83 HydrophobicContact CD2-CB 4.35Å; W75-K83 HydrophobicContact CE3-CB 3.91Å; W75-K83 HydrophobicContact CH2-CB 3.92Å; W75-K83 HydrophobicContact CH2-CD 4.26Å; W75-K83 HydrophobicContact CH2-CG 4.38Å; W75-K83 HydrophobicContact CZ2-CB 4.34Å; W75-K83 HydrophobicContact CZ2-CD 4.17Å; W75-K83 HydrophobicContact CZ2-CG 4.33Å; W75-K83 HydrophobicContact CZ3-CB 3.69Å |
| 76 | S | 88.8 | Confident | 88.3 | Confident | 35 Ų | 35 | 79 Ų | 79 | 25% | 0.245 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | -170.4 | 176.3 | 61.5 | 0 | 0 | 0 | 0 | 110.3 | C80 S81 F82 L84 | S76-C80 CarbonylContact O-C 3.33Å; S76-C80 VanDerWaalsContact O-CA 3.27Å; S76-C80 WeakPolarHBondContact O-CA 3.26Å; S76-S81 PolarHBondContact O-N 3.39Å; S76-F82 PolarHBondContact N-O 3.26Å; S76-F82 WeakPolarHBondContact O-CB 3.28Å; S76-F82 PolarHBondContact O-N 3.3Å; S76-F82 WeakPolarHBondContact OG-CD1 3.43Å; S76-F82 PolarHBondContact OG-O 3.44Å; S76-L84 VanDerWaalsContact CB-CD1 3.49Å; S76-L84 WeakPolarHBondContact OG-CD1 3.14Å; S76-L84 WeakPolarHBondContact OG-CG 3.22Å |
| 77 | A | 88.1 | Confident | 87.1 | Confident | 46 Ų | 46 | 78 Ų | 78 | 38% | 0.38 | 42% | 0.415 | S | S | . | . | S | Bend | trans | 78.9 | 160.5 | -161.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | C71 D79 C80 F82 | C71-A77 PolarHBondContact SG-O 3.42Å; A77-D79 WeakPolarHBondContact CB-OD1 3.35Å; A77-D79 PolarHBondContact O-N 2.88Å; A77-D79 VanDerWaalsContact O-N 3.15Å; A77-C80 PolarHBondContact O-N 3.49Å; A77-C80 VanDerWaalsContact O-N 3.1Å; A77-F82 HydrophobicContact CB-CB 4.03Å |
| 78 | F | 89.6 | Confident | 85.7 | Confident | 150 Ų | 150 | 79.1 Ų | 79.1 | 66% | 0.658 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -23.1 | -176 | 66.2 | -84.1 | 0 | 0 | 0 | 113 | P49 C69 | P49-F78 HydrophobicContact CB-CD2 3.46Å; P49-F78 VanDerWaalsContact CB-CD2 3.46Å; P49-F78 HydrophobicContact CB-CE2 3.66Å; P49-F78 HydrophobicContact CG-CD2 3.83Å; P49-F78 WeakPolarHBondContact CG-O 3.49Å; C69-F78 WeakPolarHBondContact CB-O 3.46Å |
| 79 | D | 91.1 | Very high | 83.8 | Confident | 9 Ų | 9 | 81.3 Ų | 81.3 | 5% | 0.048 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 8.5 | -179.5 | 65.3 | -13 | 0 | 0 | 0 | 113.1 | P49 N51 C57 S58 A77 S81 | P49-D79 HydrophobicContact CB-CB 4.11Å; N51-D79 WeakPolarHBondContact CB-OD2 3.45Å; C57-D79 CarbonylContact C-O 3.53Å; S58-D79 WeakPolarHBondContact CB-O 3.22Å; S58-D79 PolarHBondContact N-O 2.8Å; S58-D79 PolarHBondContact OG-O 3.23Å; A77-D79 WeakPolarHBondContact CB-OD1 3.35Å; A77-D79 PolarHBondContact O-N 2.88Å; A77-D79 VanDerWaalsContact O-N 3.15Å; D79-S81 VanDerWaalsContact CG-OG 3.26Å; D79-S81 PolarHBondContact O-N 2.87Å; D79-S81 VanDerWaalsContact OD1-CB 3.28Å; D79-S81 WeakPolarHBondContact OD1-CB 3.44Å; D79-S81 PolarHBondContact OD1-N 3.31Å; D79-S81 VanDerWaalsContact OD1-N 3.1Å; D79-S81 PolarHBondContact OD1-OG 2.9Å; D79-S81 WeakPolarHBondContact OD2-CB 3.49Å; D79-S81 PolarHBondContact OD2-OG 2.88Å |
| 80 | C | 92.4 | Very high | 81.6 | Confident | 0 Ų | 0 | 83.6 Ų | 83.6 | 0% | 0 | 44% | 0.443 | C | S | . | . | S | Bend | trans | 55.9 | 26.6 | -174.7 | -48.8 | 0 | 0 | 0 | 0 | 115.3 | C57 H60 C69 C71 W75 S76 A77 | C57-C80 WeakPolarHBondContact O-CB 3.41Å; H60-C80 HydrophobicContact CB-CB 4.04Å; H60-C80 WeakPolarHBondContact O-CB 3.38Å; C69-C80 VanDerWaalsContact CB-SG 3.55Å; C71-C80 WeakPolarHBondContact CA-SG 3.27Å; C71-C80 HydrophobicContact CB-CB 3.77Å; C71-C80 WeakPolarHBondContact CB-SG 3.27Å; C71-C80 WeakPolarHBondContact SG-CA 3.46Å; C71-C80 WeakPolarHBondContact SG-CB 3.23Å; C71-C80 CovalentContact SG-SG 2.04Å; C71-C80 PolarHBondContact SG-SG 3.36Å; W75-C80 HydrophobicContact CB-CB 4.41Å; S76-C80 CarbonylContact O-C 3.33Å; S76-C80 VanDerWaalsContact O-CA 3.27Å; S76-C80 WeakPolarHBondContact O-CA 3.26Å; A77-C80 PolarHBondContact O-N 3.49Å; A77-C80 VanDerWaalsContact O-N 3.1Å |
| 81 | S | 91.5 | Very high | 79.4 | Confident | 45 Ų | 45 | 84.8 Ų | 84.8 | 32% | 0.315 | 45% | 0.452 | S | S | . | . | trans | -80.6 | -16.9 | -180 | 62.9 | 0 | 0 | 0 | 0 | 114.3 | S76 D79 | S76-S81 PolarHBondContact O-N 3.39Å; D79-S81 VanDerWaalsContact CG-OG 3.26Å; D79-S81 PolarHBondContact O-N 2.87Å; D79-S81 VanDerWaalsContact OD1-CB 3.28Å; D79-S81 WeakPolarHBondContact OD1-CB 3.44Å; D79-S81 PolarHBondContact OD1-N 3.31Å; D79-S81 VanDerWaalsContact OD1-N 3.1Å; D79-S81 PolarHBondContact OD1-OG 2.9Å; D79-S81 WeakPolarHBondContact OD2-CB 3.49Å; D79-S81 PolarHBondContact OD2-OG 2.88Å | ||
| 82 | F | 90.3 | Very high | 77.4 | Confident | 122 Ų | 122 | 85.8 Ų | 85.8 | 54% | 0.535 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 107.5 | -173.8 | -171.2 | -98.1 | 0 | 0 | 0 | 111.8 | W75 S76 A77 L84 | W75-F82 CarbonylContact C-O 3.5Å; W75-F82 WeakPolarHBondContact CA-O 3.35Å; S76-F82 PolarHBondContact N-O 3.26Å; S76-F82 WeakPolarHBondContact O-CB 3.28Å; S76-F82 PolarHBondContact O-N 3.3Å; S76-F82 WeakPolarHBondContact OG-CD1 3.43Å; S76-F82 PolarHBondContact OG-O 3.44Å; A77-F82 HydrophobicContact CB-CB 4.03Å; F82-L84 HydrophobicContact CD1-CD2 4.1Å; F82-L84 HydrophobicContact CD1-CG 4.09Å; F82-L84 HydrophobicContact CE1-CD2 4Å; F82-L84 HydrophobicContact CE1-CG 4.29Å; F82-L84 PolarHBondContact O-N 2.88Å |
| 83 | K | 89.9 | Confident | 75 | Confident | 146 Ų | 146 | 88 Ų | 88 | 64% | 0.635 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 120.1 | 171 | -168.8 | 173.3 | -174.3 | 171.3 | 0 | 109.9 | G74 W75 N85 | G74-K83 CarbonylContact O-C 3.56Å; G74-K83 WeakPolarHBondContact O-CA 3.3Å; W75-K83 HydrophobicContact CD2-CB 4.35Å; W75-K83 HydrophobicContact CE3-CB 3.91Å; W75-K83 HydrophobicContact CH2-CB 3.92Å; W75-K83 HydrophobicContact CH2-CD 4.26Å; W75-K83 HydrophobicContact CH2-CG 4.38Å; W75-K83 HydrophobicContact CZ2-CB 4.34Å; W75-K83 HydrophobicContact CZ2-CD 4.17Å; W75-K83 HydrophobicContact CZ2-CG 4.33Å; W75-K83 HydrophobicContact CZ3-CB 3.69Å; K83-N85 PolarHBondContact O-N 3.39Å |
| 84 | L | 85.7 | Confident | 72.9 | Confident | 37 Ų | 37 | 87 Ų | 87 | 19% | 0.194 | 48% | 0.48 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 126.2 | 177 | -65.2 | 135.6 | 0 | 0 | 0 | 109.2 | G74 S76 F82 Y88 | G74-L84 PolarHBondContact O-N 2.87Å; S76-L84 VanDerWaalsContact CB-CD1 3.49Å; S76-L84 WeakPolarHBondContact OG-CD1 3.14Å; S76-L84 WeakPolarHBondContact OG-CG 3.22Å; F82-L84 HydrophobicContact CD1-CD2 4.1Å; F82-L84 HydrophobicContact CD1-CG 4.09Å; F82-L84 HydrophobicContact CE1-CD2 4Å; F82-L84 HydrophobicContact CE1-CG 4.29Å; F82-L84 PolarHBondContact O-N 2.88Å; L84-Y88 HydrophobicContact CB-CD1 3.28Å; L84-Y88 HydrophobicContact CB-CE1 2.98Å; L84-Y88 HydrophobicContact CB-CG 4.39Å; L84-Y88 HydrophobicContact CD1-CD1 3.87Å; L84-Y88 HydrophobicContact CD1-CD2 4.34Å; L84-Y88 HydrophobicContact CD1-CE1 3.19Å; L84-Y88 HydrophobicContact CD1-CE2 3.66Å; L84-Y88 HydrophobicContact CD1-CG 4.43Å; L84-Y88 WeakPolarHBondContact CD1-OH 3.24Å; L84-Y88 HydrophobicContact CD2-CD1 3.62Å; L84-Y88 HydrophobicContact CD2-CD2 4.38Å; L84-Y88 HydrophobicContact CD2-CE1 3.86Å; L84-Y88 HydrophobicContact CD2-CG 3.95Å; L84-Y88 HydrophobicContact CG-CD1 3.72Å; L84-Y88 HydrophobicContact CG-CE1 3.45Å; L84-Y88 VanDerWaalsContact CG-CE1 3.45Å; L84-Y88 HydrophobicContact CG-CG 4.45Å |
| 85 | N | 78.5 | Confident | 70.9 | Confident | 124 Ų | 124 | 92.7 Ų | 92.7 | 66% | 0.663 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 151.1 | 164.4 | 76.3 | 34.9 | 0 | 0 | 0 | 108.1 | K83 S87 | K83-N85 PolarHBondContact O-N 3.39Å; N85-S87 PolarHBondContact O-N 3.37Å; N85-S87 PolarHBondContact OD1-N 3.23Å |
| 86 | K | 61.8 | Low | 68.2 | Low | 209 Ų | 209 | 92.8 Ų | 92.8 | 91% | 0.909 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 20.4 | -170.2 | -81.1 | 173.5 | 169.1 | 177.4 | 0 | 116.8 | ||
| 87 | S | 58.2 | Low | 66.1 | Low | 109 Ų | 109 | 99 Ų | 99 | 76% | 0.762 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -0.2 | 178.9 | -67.9 | 0 | 0 | 0 | 0 | 115.4 | N85 | N85-S87 PolarHBondContact O-N 3.37Å; N85-S87 PolarHBondContact OD1-N 3.23Å |
| 88 | Y | 56.5 | Low | 63.7 | Low | 99 Ų | 99 | 99.7 Ų | 99.7 | 39% | 0.388 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -105.6 | 96.4 | 160.5 | 90.5 | -59 | 0 | 0 | 0 | 107.1 | G74 L84 S90 | G74-Y88 WeakPolarHBondContact CA-OH 3.49Å; G74-Y88 PolarHBondContact N-OH 2.96Å; G74-Y88 VanDerWaalsContact N-OH 3.15Å; L84-Y88 HydrophobicContact CB-CD1 3.28Å; L84-Y88 HydrophobicContact CB-CE1 2.98Å; L84-Y88 HydrophobicContact CB-CG 4.39Å; L84-Y88 HydrophobicContact CD1-CD1 3.87Å; L84-Y88 HydrophobicContact CD1-CD2 4.34Å; L84-Y88 HydrophobicContact CD1-CE1 3.19Å; L84-Y88 HydrophobicContact CD1-CE2 3.66Å; L84-Y88 HydrophobicContact CD1-CG 4.43Å; L84-Y88 WeakPolarHBondContact CD1-OH 3.24Å; L84-Y88 HydrophobicContact CD2-CD1 3.62Å; L84-Y88 HydrophobicContact CD2-CD2 4.38Å; L84-Y88 HydrophobicContact CD2-CE1 3.86Å; L84-Y88 HydrophobicContact CD2-CG 3.95Å; L84-Y88 HydrophobicContact CG-CD1 3.72Å; L84-Y88 HydrophobicContact CG-CE1 3.45Å; L84-Y88 VanDerWaalsContact CG-CE1 3.45Å; L84-Y88 HydrophobicContact CG-CG 4.45Å; Y88-S90 PolarHBondContact O-N 3.1Å |
| 89 | V | 49 | Very low | 61.7 | Low | 117 Ų | 117 | 101.1 Ų | 101.1 | 71% | 0.709 | 58% | 0.579 | S | S | * | * | trans | -60.8 | 117.8 | 176.5 | 171.3 | 0 | 0 | 0 | 0 | 106.8 | I91 | V89-I91 VanDerWaalsContact C-N 3.29Å; V89-I91 PolarHBondContact O-N 3.27Å | ||
| 90 | S | 47.4 | Very low | 59.2 | Low | 68 Ų | 68 | 107.2 Ų | 107.2 | 48% | 0.476 | 62% | 0.617 | S | S | . | * | trans | -46.4 | 100.3 | 155.7 | -174 | 0 | 0 | 0 | 0 | 106.9 | Y88 A92 | Y88-S90 PolarHBondContact O-N 3.1Å; S90-A92 PolarHBondContact O-N 2.92Å | ||
| 91 | I | 47.4 | Very low | 56.9 | Low | 156 Ų | 156 | 110.5 Ų | 110.5 | 80% | 0.8 | 65% | 0.651 | S | S | * | * | trans | -72.8 | 75 | 159.3 | -53.5 | 178.4 | 0 | 0 | 0 | 104.2 | V89 | V89-I91 VanDerWaalsContact C-N 3.29Å; V89-I91 PolarHBondContact O-N 3.27Å | ||
| 92 | A | 51.9 | Low | 54.6 | Low | 51 Ų | 51 | 114.7 Ų | 114.7 | 42% | 0.421 | 68% | 0.68 | S | S | . | * | trans | -52.5 | 145.4 | 147 | 0 | 0 | 0 | 0 | 0 | 106.5 | S90 S94 | S90-A92 PolarHBondContact O-N 2.92Å; A92-S94 PolarHBondContact O-N 3.07Å | ||
| 93 | P | 42.5 | Very low | 52.4 | Low | 125 Ų | 125 | 112.2 Ų | 112.2 | 81% | 0.812 | 69% | 0.689 | S | S | * | * | trans | -72 | 74.4 | 176.3 | 31.3 | -31.9 | 0 | 0 | 0 | 108.1 | V95 | P93-V95 PolarHBondContact O-N 3.05Å; P93-V95 VanDerWaalsContact O-N 3.16Å | ||
| 94 | S | 48.3 | Very low | 50.5 | Low | 103 Ų | 103 | 113.3 Ų | 113.3 | 72% | 0.72 | 70% | 0.701 | S | S | * | * | trans | -82.5 | 91.6 | 169.9 | 60.2 | 0 | 0 | 0 | 0 | 107.2 | A92 | A92-S94 PolarHBondContact O-N 3.07Š| ||
| 95 | V | 46 | Very low | 48.5 | Very low | 136 Ų | 136 | 117.3 Ų | 117.3 | 82% | 0.824 | 73% | 0.729 | S | S | * | * | trans | 6.1 | 116.6 | 130.9 | -179.5 | 0 | 0 | 0 | 0 | 112.6 | P93 | P93-V95 PolarHBondContact O-N 3.05Å; P93-V95 VanDerWaalsContact O-N 3.16Å | ||
| 96 | G | 37 | Very low | 47.3 | Very low | 62 Ų | 62 | 119 Ų | 119 | 64% | 0.639 | 74% | 0.736 | S | S | * | * | trans | -61.7 | 153 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 97 | I | 45.7 | Very low | 47 | Very low | 165 Ų | 165 | 113.7 Ų | 113.7 | 85% | 0.846 | 72% | 0.723 | S | S | * | * | trans | -158.3 | 120.4 | 144.8 | -82 | 127.6 | 0 | 0 | 0 | 105.2 | ||||
| 98 | G | 36.7 | Very low | 46.4 | Very low | 61 Ų | 61 | 114.9 Ų | 114.9 | 63% | 0.629 | 73% | 0.728 | S | S | * | * | trans | -79.7 | 149 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 99 | Q | 47.4 | Very low | 46 | Very low | 180 Ų | 180 | 114.1 Ų | 114.1 | 84% | 0.841 | 74% | 0.738 | S | S | * | * | trans | 179.4 | 107.8 | 140 | -98.3 | 161.7 | 77.2 | 0 | 0 | 112.1 | ||||
| 100 | T | 38.2 | Very low | 46 | Very low | 137 Ų | 137 | 117.5 Ų | 117.5 | 84% | 0.84 | 74% | 0.743 | S | S | * | * | 39.9 | 120.3 | 128.3 | 54.2 | 0 | 0 | 0 | 0 | 121 | |||||
| 101 | G | 45.8 | Very low | 46.2 | Very low | 69 Ų | 69 | 119.3 Ų | 119.3 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | trans | 146.7 | 103.9 | 140.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 102 | S | 42.8 | Very low | 45.7 | Very low | 133 Ų | 133 | 119.6 Ų | 119.6 | 93% | 0.93 | 76% | 0.756 | S | S | * | * | trans | 58.5 | 127.9 | 149.5 | 51.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 103 | G | 42.9 | Very low | 45.1 | Very low | 69 Ų | 69 | 125.2 Ų | 125.2 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | cis | 148.5 | 112.9 | 9.2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 104 | L | 50.2 | Low | 45.2 | Very low | 170 Ų | 170 | 127.5 Ų | 127.5 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | trans | -165.7 | 147.2 | 158.9 | -124.2 | 95.5 | 0 | 0 | 0 | 109.4 | ||||
| 105 | P | 45.1 | Very low | 44.6 | Very low | 121 Ų | 121 | 127.8 Ų | 127.8 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | -86.6 | 128.9 | -159.9 | 33.5 | -31.6 | 0 | 0 | 0 | 112.8 | ||||
| 106 | I | 53.3 | Low | 44.6 | Very low | 158 Ų | 158 | 123.5 Ų | 123.5 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | trans | -109.3 | 131.8 | 173.7 | -58.1 | 172.3 | 0 | 0 | 0 | 108.2 | ||||
| 107 | P | 55.6 | Low | 45.4 | Very low | 98 Ų | 98 | 124.6 Ų | 124.6 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | trans | -63.2 | 148 | 177.6 | 26.5 | -34.5 | 0 | 0 | 0 | 112.2 | S109 | P107-S109 PolarHBondContact O-N 2.71Š| ||
| 108 | P | 45.6 | Very low | 45.9 | Very low | 134 Ų | 134 | 121.9 Ų | 121.9 | 87% | 0.87 | 74% | 0.741 | S | S | * | * | trans | -83.3 | 106.3 | -171.8 | 33.2 | -30.7 | 0 | 0 | 0 | 110.7 | ||||
| 109 | S | 47 | Very low | 47 | Very low | 84 Ų | 84 | 121.9 Ų | 121.9 | 59% | 0.587 | 73% | 0.732 | S | S | * | * | trans | -167.8 | 110.9 | 171.9 | 54.6 | 0 | 0 | 0 | 0 | 107.1 | P107 | P107-S109 PolarHBondContact O-N 2.71Š| ||
| 110 | F | 50.2 | Low | 47.7 | Very low | 188 Ų | 188 | 116.9 Ų | 116.9 | 83% | 0.825 | 72% | 0.716 | S | S | * | * | cis | -145.6 | 159 | 12.8 | -77.6 | -93 | 0 | 0 | 0 | 107.7 | D112 | F110-D112 PolarHBondContact O-N 3.24Å; F110-D112 VanDerWaalsContact O-N 3.13Å | ||
| 111 | P | 49.7 | Very low | 49.3 | Very low | 106 Ų | 106 | 118.2 Ų | 118.2 | 69% | 0.688 | 71% | 0.706 | S | S | * | * | trans | -85 | 91.8 | -161.7 | 33.4 | -33.1 | 0 | 0 | 0 | 113.1 | H113 | P111-H113 PolarHBondContact O-N 3.03Å; P111-H113 VanDerWaalsContact O-N 3.11Å | ||
| 112 | D | 37.2 | Very low | 50.5 | Low | 161 Ų | 161 | 120.8 Ų | 120.8 | 86% | 0.861 | 70% | 0.703 | S | S | * | * | trans | -83.7 | 61.3 | 160.3 | -70.6 | -31.7 | 0 | 0 | 0 | 110.2 | F110 | F110-D112 PolarHBondContact O-N 3.24Å; F110-D112 VanDerWaalsContact O-N 3.13Å | ||
| 113 | H | 40.7 | Very low | 52.3 | Low | 170 Ų | 170 | 119 Ų | 119 | 79% | 0.787 | 68% | 0.683 | S | S | * | * | trans | -157.8 | 75.4 | 161.9 | -95.7 | -28 | 0 | 0 | 0 | 108.5 | P111 S115 | P111-H113 PolarHBondContact O-N 3.03Å; P111-H113 VanDerWaalsContact O-N 3.11Å; H113-S115 PolarHBondContact O-N 3.16Å | ||
| 114 | H | 43 | Very low | 54.4 | Low | 172 Ų | 172 | 119.9 Ų | 119.9 | 80% | 0.796 | 68% | 0.675 | S | S | * | * | trans | -69.8 | 86.7 | 145.1 | -89.8 | -65.4 | 0 | 0 | 0 | 107.6 | S116 | H114-S116 PolarHBondContact O-N 2.96Š| ||
| 115 | S | 36.9 | Very low | 56.3 | Low | 110 Ų | 110 | 118.6 Ų | 118.6 | 77% | 0.769 | 66% | 0.659 | S | S | * | * | trans | -51.5 | 90.9 | 148.5 | -63.6 | 0 | 0 | 0 | 0 | 107.8 | H113 | H113-S115 PolarHBondContact O-N 3.16Š| ||
| 116 | S | 46.2 | Very low | 58.3 | Low | 45 Ų | 45 | 114.8 Ų | 114.8 | 32% | 0.315 | 64% | 0.637 | S | S | . | * | trans | -115.5 | 85.2 | 176.6 | -67.5 | 0 | 0 | 0 | 0 | 108 | H114 D118 S119 | H114-S116 PolarHBondContact O-N 2.96Å; S116-D118 PolarHBondContact O-N 3.08Å; S116-S119 PolarHBondContact O-N 3.31Å; S116-S119 PolarHBondContact O-OG 2.96Å | ||
| 117 | A | 52.8 | Low | 60 | Low | 85 Ų | 85 | 113 Ų | 113 | 70% | 0.702 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | -2.3 | 157 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 118 | D | 56.6 | Low | 61.9 | Low | 108 Ų | 108 | 113.4 Ų | 113.4 | 58% | 0.578 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -21.3 | 173.8 | -65.4 | -36.1 | 0 | 0 | 0 | 114.6 | S116 R121 L122 | S116-D118 PolarHBondContact O-N 3.08Å; D118-R121 PolarHBondContact O-N 3.46Å; D118-L122 PolarHBondContact O-N 2.88Å |
| 119 | S | 59.8 | Low | 64.2 | Low | 61 Ų | 61 | 112.2 Ų | 112.2 | 43% | 0.427 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -69.4 | -39.2 | 177.2 | 47.2 | 0 | 0 | 0 | 0 | 111.9 | S116 R121 L122 D123 | S116-S119 PolarHBondContact O-N 3.31Å; S116-S119 PolarHBondContact O-OG 2.96Å; S119-R121 PolarHBondContact O-N 3.35Å; S119-L122 PolarHBondContact O-N 3.49Å; S119-D123 PolarHBondContact O-N 2.91Å |
| 120 | S | 62.9 | Low | 66.4 | Low | 75 Ų | 75 | 112.8 Ų | 112.8 | 52% | 0.524 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -62.6 | -30 | 175.3 | -44.6 | 0 | 0 | 0 | 0 | 113.1 | T124 | S120-T124 PolarHBondContact O-N 2.86Å; S120-T124 VanDerWaalsContact O-N 3.13Å; S120-T124 PolarHBondContact O-OG1 2.85Å |
| 121 | R | 70.3 | Confident | 68.6 | Low | 165 Ų | 165 | 109.6 Ų | 109.6 | 62% | 0.623 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -72.3 | -44.5 | 175.3 | -77.7 | -170.1 | 166.3 | -169.5 | -1.8 | 111.3 | D118 S119 D123 T124 Y125 | D118-R121 PolarHBondContact O-N 3.46Å; S119-R121 PolarHBondContact O-N 3.35Å; R121-D123 VanDerWaalsContact C-N 3.28Å; R121-D123 PolarHBondContact O-N 2.97Å; R121-T124 PolarHBondContact O-N 3.45Å; R121-Y125 HydrophobicContact CB-CD2 4.39Å; R121-Y125 HydrophobicContact CB-CE2 4.31Å; R121-Y125 WeakPolarHBondContact O-CD2 2.98Å; R121-Y125 PolarHBondContact O-N 2.92Å |
| 122 | L | 72.7 | Confident | 70.8 | Confident | 123 Ų | 123 | 106.2 Ų | 106.2 | 64% | 0.644 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -60.8 | -38.7 | 175.9 | -73 | 154.8 | 0 | 0 | 0 | 111.3 | D118 S119 Y125 A126 | D118-L122 PolarHBondContact O-N 2.88Å; S119-L122 PolarHBondContact O-N 3.49Å; L122-Y125 PolarHBondContact O-N 3.46Å; L122-A126 WeakPolarHBondContact O-CB 3.44Å; L122-A126 PolarHBondContact O-N 3.21Å |
| 123 | D | 80 | Confident | 73.6 | Confident | 97 Ų | 97 | 102.5 Ų | 102.5 | 52% | 0.519 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.3 | -46.2 | 174.4 | -66.7 | -37.4 | 0 | 0 | 0 | 111.5 | S119 R121 Y125 A126 M127 | S119-D123 PolarHBondContact O-N 2.91Å; R121-D123 VanDerWaalsContact C-N 3.28Å; R121-D123 PolarHBondContact O-N 2.97Å; D123-Y125 PolarHBondContact O-N 3.08Å; D123-A126 PolarHBondContact O-N 3.29Å; D123-M127 VanDerWaalsContact O-CG 3.22Å; D123-M127 WeakPolarHBondContact O-CG 2.94Å; D123-M127 PolarHBondContact O-N 3.4Å |
| 124 | T | 87.2 | Confident | 76.3 | Confident | 86 Ų | 86 | 98.2 Ų | 98.2 | 53% | 0.528 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.7 | -46 | 178.3 | -53.6 | 0 | 0 | 0 | 0 | 111.4 | S120 R121 M127 L128 | S120-T124 PolarHBondContact O-N 2.86Å; S120-T124 VanDerWaalsContact O-N 3.13Å; S120-T124 PolarHBondContact O-OG1 2.85Å; R121-T124 PolarHBondContact O-N 3.45Å; T124-M127 PolarHBondContact O-N 3.29Å; T124-L128 WeakPolarHBondContact O-CG 3.47Å; T124-L128 PolarHBondContact O-N 3.18Å; T124-L128 VanDerWaalsContact O-N 3.08Å |
| 125 | Y | 88.8 | Confident | 78.9 | Confident | 144 Ų | 144 | 92.8 Ų | 92.8 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.1 | -39.7 | 176.8 | -73.9 | -64.8 | 0 | 0 | 0 | 112.2 | R121 L122 D123 M127 L128 I129 | R121-Y125 HydrophobicContact CB-CD2 4.39Å; R121-Y125 HydrophobicContact CB-CE2 4.31Å; R121-Y125 WeakPolarHBondContact O-CD2 2.98Å; R121-Y125 PolarHBondContact O-N 2.92Å; L122-Y125 PolarHBondContact O-N 3.46Å; D123-Y125 PolarHBondContact O-N 3.08Å; Y125-M127 VanDerWaalsContact C-N 3.34Å; Y125-M127 PolarHBondContact O-N 3.45Å; Y125-L128 PolarHBondContact O-N 2.94Å; Y125-I129 WeakPolarHBondContact O-CB 2.99Å; Y125-I129 VanDerWaalsContact O-CG1 3.23Å; Y125-I129 WeakPolarHBondContact O-CG1 3.05Å; Y125-I129 PolarHBondContact O-N 3.02Å |
| 126 | A | 88.8 | Confident | 81.8 | Confident | 40 Ų | 40 | 91.6 Ų | 91.6 | 33% | 0.331 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L122 D123 I129 I130 | L122-A126 WeakPolarHBondContact O-CB 3.44Å; L122-A126 PolarHBondContact O-N 3.21Å; D123-A126 PolarHBondContact O-N 3.29Å; A126-I129 PolarHBondContact O-N 3.1Å; A126-I130 WeakPolarHBondContact O-CD1 3.34Å; A126-I130 VanDerWaalsContact O-CG1 3.24Å; A126-I130 WeakPolarHBondContact O-CG1 3.03Å; A126-I130 PolarHBondContact O-N 3.38Å |
| 127 | M | 88.4 | Confident | 84.2 | Confident | 121 Ų | 121 | 90.9 Ų | 90.9 | 60% | 0.596 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.4 | -41.9 | 176.3 | -68.3 | -60.8 | 145.5 | 0 | 0 | 112.4 | D123 T124 Y125 I130 L131 | D123-M127 VanDerWaalsContact O-CG 3.22Å; D123-M127 WeakPolarHBondContact O-CG 2.94Å; D123-M127 PolarHBondContact O-N 3.4Å; T124-M127 PolarHBondContact O-N 3.29Å; Y125-M127 VanDerWaalsContact C-N 3.34Å; Y125-M127 PolarHBondContact O-N 3.45Å; M127-I130 PolarHBondContact O-N 2.97Å; M127-L131 WeakPolarHBondContact O-CB 3.44Å; M127-L131 PolarHBondContact O-N 2.92Å |
| 128 | L | 94.4 | Very high | 86.3 | Confident | 106 Ų | 106 | 91.4 Ų | 91.4 | 56% | 0.555 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.1 | -39.5 | 175.6 | -69 | 176.2 | 0 | 0 | 0 | 112.4 | T124 Y125 L131 G132 | T124-L128 WeakPolarHBondContact O-CG 3.47Å; T124-L128 PolarHBondContact O-N 3.18Å; T124-L128 VanDerWaalsContact O-N 3.08Å; Y125-L128 PolarHBondContact O-N 2.94Å; L128-L131 PolarHBondContact O-N 3.31Å; L128-G132 PolarHBondContact O-N 3.41Å |
| 129 | I | 94.4 | Very high | 88.3 | Confident | 110 Ų | 110 | 93 Ų | 93 | 56% | 0.564 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.3 | -44.4 | 175.9 | -69.8 | 165.3 | 0 | 0 | 0 | 110.3 | Y125 A126 G132 C133 | Y125-I129 WeakPolarHBondContact O-CB 2.99Å; Y125-I129 VanDerWaalsContact O-CG1 3.23Å; Y125-I129 WeakPolarHBondContact O-CG1 3.05Å; Y125-I129 PolarHBondContact O-N 3.02Å; A126-I129 PolarHBondContact O-N 3.1Å; I129-G132 PolarHBondContact O-N 3.42Å; I129-C133 WeakPolarHBondContact O-CB 3.41Å; I129-C133 PolarHBondContact O-N 3.23Å; I129-C133 PolarHBondContact O-SG 3.48Å |
| 130 | I | 94.3 | Very high | 90 | Very high | 96 Ų | 96 | 94.5 Ų | 94.5 | 49% | 0.492 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 178 | -67.4 | 163.9 | 0 | 0 | 0 | 110.6 | A126 M127 G132 C133 V134 | A126-I130 WeakPolarHBondContact O-CD1 3.34Å; A126-I130 VanDerWaalsContact O-CG1 3.24Å; A126-I130 WeakPolarHBondContact O-CG1 3.03Å; A126-I130 PolarHBondContact O-N 3.38Å; M127-I130 PolarHBondContact O-N 2.97Å; I130-G132 VanDerWaalsContact C-N 3.32Å; I130-G132 PolarHBondContact O-N 3.48Å; I130-C133 PolarHBondContact O-N 3.45Å; I130-V134 HydrophobicContact CG2-CG2 4.49Å; I130-V134 WeakPolarHBondContact O-CG2 3.34Å; I130-V134 PolarHBondContact O-N 2.96Å |
| 131 | L | 95.8 | Very high | 91.6 | Very high | 120 Ų | 120 | 96.4 Ų | 96.4 | 63% | 0.628 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60 | -41.9 | 176.6 | -174.9 | 66.6 | 0 | 0 | 0 | 111.7 | M127 L128 V134 A135 | M127-L131 WeakPolarHBondContact O-CB 3.44Å; M127-L131 PolarHBondContact O-N 2.92Å; L128-L131 PolarHBondContact O-N 3.31Å; L131-V134 PolarHBondContact O-N 2.93Å; L131-A135 WeakPolarHBondContact O-CB 3.44Å; L131-A135 PolarHBondContact O-N 2.77Å |
| 132 | G | 95.9 | Very high | 92.9 | Very high | 35 Ų | 35 | 93.1 Ų | 93.1 | 36% | 0.361 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L128 I129 I130 V134 A135 V136 | L128-G132 PolarHBondContact O-N 3.41Å; I129-G132 PolarHBondContact O-N 3.42Å; I130-G132 VanDerWaalsContact C-N 3.32Å; I130-G132 PolarHBondContact O-N 3.48Å; G132-V134 VanDerWaalsContact C-N 3.35Å; G132-V134 PolarHBondContact O-N 2.87Å; G132-A135 PolarHBondContact O-N 2.89Å; G132-V136 WeakPolarHBondContact O-CB 3.02Å; G132-V136 VanDerWaalsContact O-CG2 3.26Å; G132-V136 WeakPolarHBondContact O-CG2 3.38Å; G132-V136 PolarHBondContact O-N 3.32Å |
| 133 | C | 96.8 | Very high | 94 | Very high | 83 Ų | 83 | 91 Ų | 91 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.6 | -40.7 | 176.9 | -74.2 | 0 | 0 | 0 | 0 | 112.3 | I129 I130 G137 | I129-C133 WeakPolarHBondContact O-CB 3.41Å; I129-C133 PolarHBondContact O-N 3.23Å; I129-C133 PolarHBondContact O-SG 3.48Å; I130-C133 PolarHBondContact O-N 3.45Å; C133-G137 PolarHBondContact O-N 3.4Å |
| 134 | V | 97.4 | Very high | 94.8 | Very high | 80 Ų | 80 | 91.3 Ų | 91.3 | 49% | 0.485 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.2 | -45.6 | 176.9 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | I130 L131 G132 G137 I138 | I130-V134 HydrophobicContact CG2-CG2 4.49Å; I130-V134 WeakPolarHBondContact O-CG2 3.34Å; I130-V134 PolarHBondContact O-N 2.96Å; L131-V134 PolarHBondContact O-N 2.93Å; G132-V134 VanDerWaalsContact C-N 3.35Å; G132-V134 PolarHBondContact O-N 2.87Å; V134-G137 PolarHBondContact O-N 2.94Å; V134-I138 HydrophobicContact CG1-CD1 3.75Å; V134-I138 HydrophobicContact CG1-CG1 4.42Å; V134-I138 VanDerWaalsContact O-CG1 3.28Å; V134-I138 WeakPolarHBondContact O-CG1 3.25Å; V134-I138 PolarHBondContact O-N 3.34Å |
| 135 | A | 96.8 | Very high | 95.2 | Very high | 58 Ų | 58 | 92.2 Ų | 92.2 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L131 G132 I138 F139 | L131-A135 WeakPolarHBondContact O-CB 3.44Å; L131-A135 PolarHBondContact O-N 2.77Å; G132-A135 PolarHBondContact O-N 2.89Å; A135-I138 PolarHBondContact O-N 2.87Å; A135-F139 WeakPolarHBondContact O-CB 3.04Å; A135-F139 PolarHBondContact O-N 3.08Å |
| 136 | V | 97.2 | Very high | 95.5 | Very high | 85 Ų | 85 | 90.2 Ų | 90.2 | 52% | 0.515 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 175.3 | 174 | 0 | 0 | 0 | 0 | 110.7 | G132 F139 L140 | G132-V136 WeakPolarHBondContact O-CB 3.02Å; G132-V136 VanDerWaalsContact O-CG2 3.26Å; G132-V136 WeakPolarHBondContact O-CG2 3.38Å; G132-V136 PolarHBondContact O-N 3.32Å; V136-F139 PolarHBondContact O-N 3.27Å; V136-L140 HydrophobicContact CG1-CD1 3.93Å; V136-L140 HydrophobicContact CG1-CG 4.22Å; V136-L140 WeakPolarHBondContact O-CB 3.39Å; V136-L140 VanDerWaalsContact O-CG 3.28Å; V136-L140 WeakPolarHBondContact O-CG 2.96Å; V136-L140 PolarHBondContact O-N 3.32Å |
| 137 | G | 96.9 | Very high | 95.8 | Very high | 31 Ų | 31 | 92.1 Ų | 92.1 | 32% | 0.32 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C133 V134 L140 M141 | C133-G137 PolarHBondContact O-N 3.4Å; V134-G137 PolarHBondContact O-N 2.94Å; G137-L140 PolarHBondContact O-N 3.48Å; G137-M141 WeakPolarHBondContact O-CB 3.49Å; G137-M141 VanDerWaalsContact O-CG 3.3Å; G137-M141 WeakPolarHBondContact O-CG 3.2Å; G137-M141 PolarHBondContact O-N 2.92Å |
| 138 | I | 97.7 | Very high | 96.1 | Very high | 96 Ų | 96 | 90 Ų | 90 | 49% | 0.492 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 175.6 | -67.7 | 167.1 | 0 | 0 | 0 | 110.5 | V134 A135 M141 L142 | V134-I138 HydrophobicContact CG1-CD1 3.75Å; V134-I138 HydrophobicContact CG1-CG1 4.42Å; V134-I138 VanDerWaalsContact O-CG1 3.28Å; V134-I138 WeakPolarHBondContact O-CG1 3.25Å; V134-I138 PolarHBondContact O-N 3.34Å; A135-I138 PolarHBondContact O-N 2.87Å; I138-M141 PolarHBondContact O-N 3.33Å; I138-L142 HydrophobicContact CG2-CD1 3.96Å; I138-L142 HydrophobicContact CG2-CG 4.37Å; I138-L142 WeakPolarHBondContact O-CB 3.16Å; I138-L142 WeakPolarHBondContact O-CG 3.18Å; I138-L142 PolarHBondContact O-N 2.94Å |
| 139 | F | 97.3 | Very high | 96 | Very high | 141 Ų | 141 | 92.6 Ų | 92.6 | 62% | 0.618 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63 | -44.3 | 178.3 | -174.1 | -97.7 | 0 | 0 | 0 | 112.2 | A135 V136 L142 L143 | A135-F139 WeakPolarHBondContact O-CB 3.04Å; A135-F139 PolarHBondContact O-N 3.08Å; V136-F139 PolarHBondContact O-N 3.27Å; F139-L142 PolarHBondContact O-N 3.16Å; F139-L143 WeakPolarHBondContact O-CB 3.32Å; F139-L143 PolarHBondContact O-N 2.93Å |
| 140 | L | 97 | Very high | 95.8 | Very high | 93 Ų | 93 | 95.5 Ų | 95.5 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 175.5 | -69.5 | 177.6 | 0 | 0 | 0 | 111.6 | V136 G137 L143 L144 | V136-L140 HydrophobicContact CG1-CD1 3.93Å; V136-L140 HydrophobicContact CG1-CG 4.22Å; V136-L140 WeakPolarHBondContact O-CB 3.39Å; V136-L140 VanDerWaalsContact O-CG 3.28Å; V136-L140 WeakPolarHBondContact O-CG 2.96Å; V136-L140 PolarHBondContact O-N 3.32Å; G137-L140 PolarHBondContact O-N 3.48Å; L140-L143 PolarHBondContact O-N 2.81Å; L140-L144 WeakPolarHBondContact O-CB 3.43Å; L140-L144 VanDerWaalsContact O-CG 3.27Å; L140-L144 WeakPolarHBondContact O-CG 3.09Å; L140-L144 PolarHBondContact O-N 2.84Å |
| 141 | M | 96.4 | Very high | 95.5 | Very high | 115 Ų | 115 | 100.1 Ų | 100.1 | 57% | 0.567 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.7 | -44.4 | 174.9 | -79.5 | -63.9 | -67.3 | 0 | 0 | 112.1 | G137 I138 L144 L145 | G137-M141 WeakPolarHBondContact O-CB 3.49Å; G137-M141 VanDerWaalsContact O-CG 3.3Å; G137-M141 WeakPolarHBondContact O-CG 3.2Å; G137-M141 PolarHBondContact O-N 2.92Å; I138-M141 PolarHBondContact O-N 3.33Å; M141-L144 PolarHBondContact O-N 2.76Å; M141-L145 WeakPolarHBondContact O-CB 3.09Å; M141-L145 VanDerWaalsContact O-CG 3.3Å; M141-L145 WeakPolarHBondContact O-CG 3.42Å; M141-L145 PolarHBondContact O-N 3.32Å |
| 142 | L | 96.9 | Very high | 95 | Very high | 96 Ų | 96 | 103.4 Ų | 103.4 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | 175.7 | -71.8 | 173.5 | 0 | 0 | 0 | 111.8 | I138 F139 L145 L146 | I138-L142 HydrophobicContact CG2-CD1 3.96Å; I138-L142 HydrophobicContact CG2-CG 4.37Å; I138-L142 WeakPolarHBondContact O-CB 3.16Å; I138-L142 WeakPolarHBondContact O-CG 3.18Å; I138-L142 PolarHBondContact O-N 2.94Å; F139-L142 PolarHBondContact O-N 3.16Å; L142-L145 PolarHBondContact O-N 3.23Å; L142-L146 WeakPolarHBondContact O-CB 3.37Å; L142-L146 WeakPolarHBondContact O-CG 3.42Å; L142-L146 PolarHBondContact O-N 2.03Å |
| 143 | L | 96.5 | Very high | 94.1 | Very high | 79 Ų | 79 | 103.8 Ų | 103.8 | 41% | 0.414 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 175.6 | -171.7 | 68.6 | 0 | 0 | 0 | 111.2 | F139 L140 L146 L147 | F139-L143 WeakPolarHBondContact O-CB 3.32Å; F139-L143 PolarHBondContact O-N 2.93Å; L140-L143 PolarHBondContact O-N 2.81Å; L143-L146 PolarHBondContact O-N 2.85Å; L143-L147 HydrophobicContact CG-CD1 4.44Å; L143-L147 WeakPolarHBondContact O-CB 3.33Å; L143-L147 VanDerWaalsContact O-CG 3.27Å; L143-L147 WeakPolarHBondContact O-CG 3.38Å; L143-L147 PolarHBondContact O-N 3.33Å |
| 144 | L | 96.1 | Very high | 92.9 | Very high | 102 Ų | 102 | 104.9 Ų | 104.9 | 53% | 0.534 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 174.6 | -72.5 | 174.8 | 0 | 0 | 0 | 111.8 | L140 M141 L147 C148 | L140-L144 WeakPolarHBondContact O-CB 3.43Å; L140-L144 VanDerWaalsContact O-CG 3.27Å; L140-L144 WeakPolarHBondContact O-CG 3.09Å; L140-L144 PolarHBondContact O-N 2.84Å; M141-L144 PolarHBondContact O-N 2.76Å; L144-L147 PolarHBondContact O-N 3.07Å; L144-C148 VanDerWaalsContact O-CB 3.25Å; L144-C148 WeakPolarHBondContact O-CB 3.39Å; L144-C148 PolarHBondContact O-N 3.08Å; L144-C148 PolarHBondContact O-SG 3.16Å |
| 145 | L | 96 | Very high | 91.3 | Very high | 105 Ų | 105 | 106.7 Ų | 106.7 | 55% | 0.55 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 174.4 | -75.5 | 170.4 | 0 | 0 | 0 | 111.7 | M141 L142 C148 Y149 | M141-L145 WeakPolarHBondContact O-CB 3.09Å; M141-L145 VanDerWaalsContact O-CG 3.3Å; M141-L145 WeakPolarHBondContact O-CG 3.42Å; M141-L145 PolarHBondContact O-N 3.32Å; L142-L145 PolarHBondContact O-N 3.23Å; L145-C148 PolarHBondContact O-N 2.02Å; L145-Y149 VanDerWaalsContact O-CB 3.23Å; L145-Y149 WeakPolarHBondContact O-CB 3.14Å; L145-Y149 PolarHBondContact O-N 3.02Å |
| 146 | L | 95.2 | Very high | 89.5 | Confident | 103 Ų | 103 | 106.4 Ų | 106.4 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.8 | -39.9 | 174.7 | -73.9 | 171.3 | 0 | 0 | 0 | 111.9 | L142 L143 Y149 R150 | L142-L146 WeakPolarHBondContact O-CB 3.37Å; L142-L146 WeakPolarHBondContact O-CG 3.42Å; L142-L146 PolarHBondContact O-N 2.03Å; L143-L146 PolarHBondContact O-N 2.85Å; L146-Y149 PolarHBondContact O-N 2.93Å; L146-R150 VanDerWaalsContact O-CB 3.32Å; L146-R150 WeakPolarHBondContact O-CB 3.35Å; L146-R150 VanDerWaalsContact O-CG 3.26Å; L146-R150 WeakPolarHBondContact O-CG 3.27Å; L146-R150 PolarHBondContact O-N 3.13Å |
| 147 | L | 94.7 | Very high | 87.5 | Confident | 80 Ų | 80 | 109.9 Ų | 109.9 | 42% | 0.419 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 174.6 | -70.6 | 175.7 | 0 | 0 | 0 | 111.6 | L143 L144 R150 R151 | L143-L147 HydrophobicContact CG-CD1 4.44Å; L143-L147 WeakPolarHBondContact O-CB 3.33Å; L143-L147 VanDerWaalsContact O-CG 3.27Å; L143-L147 WeakPolarHBondContact O-CG 3.38Å; L143-L147 PolarHBondContact O-N 3.33Å; L144-L147 PolarHBondContact O-N 3.07Å; L147-R150 PolarHBondContact O-N 3.23Å; L147-R151 VanDerWaalsContact O-CB 3.31Å; L147-R151 WeakPolarHBondContact O-CB 3.27Å; L147-R151 VanDerWaalsContact O-CG 3.31Å; L147-R151 WeakPolarHBondContact O-CG 3.44Å; L147-R151 PolarHBondContact O-N 3.36Å |
| 148 | C | 94.2 | Very high | 85.4 | Confident | 77 Ų | 77 | 112 Ų | 112 | 52% | 0.52 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 173.7 | -75.4 | 0 | 0 | 0 | 0 | 111.4 | L144 L145 R151 R152 | L144-C148 VanDerWaalsContact O-CB 3.25Å; L144-C148 WeakPolarHBondContact O-CB 3.39Å; L144-C148 PolarHBondContact O-N 3.08Å; L144-C148 PolarHBondContact O-SG 3.16Å; L145-C148 PolarHBondContact O-N 2.02Å; C148-R151 PolarHBondContact O-N 3.19Å; C148-R152 VanDerWaalsContact O-CB 3.24Å; C148-R152 WeakPolarHBondContact O-CB 3.34Å; C148-R152 PolarHBondContact O-N 2.9Å |
| 149 | Y | 91.9 | Very high | 83.3 | Confident | 160 Ų | 160 | 113.9 Ų | 113.9 | 63% | 0.627 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.5 | -48.7 | 174.2 | -176.8 | -99.5 | 0 | 0 | 0 | 110.3 | L145 L146 R151 R152 T153 | L145-Y149 VanDerWaalsContact O-CB 3.23Å; L145-Y149 WeakPolarHBondContact O-CB 3.14Å; L145-Y149 PolarHBondContact O-N 3.02Å; L146-Y149 PolarHBondContact O-N 2.93Å; Y149-R151 PolarHBondContact O-N 2.87Å; Y149-R152 PolarHBondContact O-N 2.99Å; Y149-R152 VanDerWaalsContact O-N 3.17Å; Y149-T153 HydrophobicContact CD1-CG2 4.06Å; Y149-T153 HydrophobicContact CE1-CG2 3.71Å; Y149-T153 HydrophobicContact CE2-CG2 4.33Å; Y149-T153 VanDerWaalsContact O-CG2 3.3Å; Y149-T153 WeakPolarHBondContact O-CG2 3.32Å; Y149-T153 PolarHBondContact O-N 2.75Å; Y149-T153 PolarHBondContact O-OG1 3.22Å |
| 150 | R | 90.8 | Very high | 81.1 | Confident | 170 Ų | 170 | 114.2 Ų | 114.2 | 64% | 0.642 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.7 | -47.7 | 175.2 | -74.8 | 179.4 | 117.3 | 177.3 | 2.3 | 111.6 | L146 L147 R152 T153 N154 | L146-R150 VanDerWaalsContact O-CB 3.32Å; L146-R150 WeakPolarHBondContact O-CB 3.35Å; L146-R150 VanDerWaalsContact O-CG 3.26Å; L146-R150 WeakPolarHBondContact O-CG 3.27Å; L146-R150 PolarHBondContact O-N 3.13Å; L147-R150 PolarHBondContact O-N 3.23Å; R150-R152 VanDerWaalsContact C-N 3.31Å; R150-R152 PolarHBondContact O-N 3.48Å; R150-T153 WeakPolarHBondContact CA-OG1 3.45Å; R150-T153 PolarHBondContact O-N 3.18Å; R150-T153 PolarHBondContact O-OG1 2.68Å; R150-N154 WeakPolarHBondContact O-CB 3.14Å; R150-N154 VanDerWaalsContact O-CG 3.29Å; R150-N154 PolarHBondContact O-N 2.85Å; R150-N154 PolarHBondContact O-ND2 2.94Å |
| 151 | R | 88 | Confident | 78.8 | Confident | 193 Ų | 193 | 115.8 Ų | 115.8 | 73% | 0.728 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -58.7 | -41.5 | 174.7 | -78 | -178.2 | -178.9 | -172.2 | 2.2 | 111.9 | L147 C148 Y149 N154 F155 | L147-R151 VanDerWaalsContact O-CB 3.31Å; L147-R151 WeakPolarHBondContact O-CB 3.27Å; L147-R151 VanDerWaalsContact O-CG 3.31Å; L147-R151 WeakPolarHBondContact O-CG 3.44Å; L147-R151 PolarHBondContact O-N 3.36Å; C148-R151 PolarHBondContact O-N 3.19Å; Y149-R151 PolarHBondContact O-N 2.87Å; R151-N154 PolarHBondContact O-N 3.19Å; R151-F155 WeakPolarHBondContact O-CB 3.42Å; R151-F155 PolarHBondContact O-N 3.25Å |
| 152 | R | 85 | Confident | 76.2 | Confident | 190 Ų | 190 | 113.6 Ų | 113.6 | 72% | 0.717 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.8 | -37.8 | 177.7 | -165 | 174 | -170 | 172.1 | 2.8 | 112.4 | C148 Y149 R150 F155 S156 | C148-R152 VanDerWaalsContact O-CB 3.24Å; C148-R152 WeakPolarHBondContact O-CB 3.34Å; C148-R152 PolarHBondContact O-N 2.9Å; Y149-R152 PolarHBondContact O-N 2.99Å; Y149-R152 VanDerWaalsContact O-N 3.17Å; R150-R152 VanDerWaalsContact C-N 3.31Å; R150-R152 PolarHBondContact O-N 3.48Å; R152-F155 PolarHBondContact O-N 3.49Å; R152-S156 WeakPolarHBondContact O-CB 3.42Å; R152-S156 PolarHBondContact O-N 3.43Å; R152-S156 PolarHBondContact O-OG 2.99Å |
| 153 | T | 77.1 | Confident | 73.8 | Confident | 42 Ų | 42 | 115.2 Ų | 115.2 | 26% | 0.258 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.8 | -38.8 | 174.4 | 62.9 | 0 | 0 | 0 | 0 | 111.8 | Y149 R150 F155 S156 K157 | Y149-T153 HydrophobicContact CD1-CG2 4.06Å; Y149-T153 HydrophobicContact CE1-CG2 3.71Å; Y149-T153 HydrophobicContact CE2-CG2 4.33Å; Y149-T153 VanDerWaalsContact O-CG2 3.3Å; Y149-T153 WeakPolarHBondContact O-CG2 3.32Å; Y149-T153 PolarHBondContact O-N 2.75Å; Y149-T153 PolarHBondContact O-OG1 3.22Å; R150-T153 WeakPolarHBondContact CA-OG1 3.45Å; R150-T153 PolarHBondContact O-N 3.18Å; R150-T153 PolarHBondContact O-OG1 2.68Å; T153-F155 VanDerWaalsContact C-N 3.35Å; T153-S156 PolarHBondContact O-N 2.8Å; T153-K157 PolarHBondContact O-N 2.86Å |
| 154 | N | 72 | Confident | 71.4 | Confident | 106 Ų | 106 | 117.4 Ų | 117.4 | 57% | 0.567 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.6 | -39 | 174 | -70.6 | -40.8 | 0 | 0 | 0 | 111.5 | R150 R151 A158 | R150-N154 WeakPolarHBondContact O-CB 3.14Å; R150-N154 VanDerWaalsContact O-CG 3.29Å; R150-N154 PolarHBondContact O-N 2.85Å; R150-N154 PolarHBondContact O-ND2 2.94Å; R151-N154 PolarHBondContact O-N 3.19Å; N154-A158 PolarHBondContact O-N 3.48Å |
| 155 | F | 63.6 | Low | 68.9 | Low | 119 Ų | 119 | 124.2 Ų | 124.2 | 52% | 0.522 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -72.2 | -30.6 | 175.8 | -165 | -113.9 | 0 | 0 | 0 | 113.3 | R151 R152 T153 K159 | R151-F155 WeakPolarHBondContact O-CB 3.42Å; R151-F155 PolarHBondContact O-N 3.25Å; R152-F155 PolarHBondContact O-N 3.49Å; T153-F155 VanDerWaalsContact C-N 3.35Å; F155-K159 HydrophobicContact CD1-CD 4.16Å; F155-K159 HydrophobicContact CE1-CD 3.77Å; F155-K159 HydrophobicContact CZ-CD 4.06Å; F155-K159 PolarHBondContact O-N 2.04Å |
| 156 | S | 59.5 | Low | 66.3 | Low | 52 Ų | 52 | 123.9 Ų | 123.9 | 36% | 0.364 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -74.5 | -31.2 | 178.1 | -56.1 | 0 | 0 | 0 | 0 | 112.2 | R152 T153 | R152-S156 WeakPolarHBondContact O-CB 3.42Å; R152-S156 PolarHBondContact O-N 3.43Å; R152-S156 PolarHBondContact O-OG 2.99Å; T153-S156 PolarHBondContact O-N 2.8Å |
| 157 | K | 53.9 | Low | 63.9 | Low | 158 Ų | 158 | 128.2 Ų | 128.2 | 69% | 0.687 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -75.4 | -31.6 | 173.1 | -70 | 179.8 | -178.3 | 175.6 | 0 | 112.8 | T153 K159 | T153-K157 PolarHBondContact O-N 2.86Å; K157-K159 VanDerWaalsContact C-N 3.32Å; K157-K159 PolarHBondContact O-N 3.43Å |
| 158 | A | 54.2 | Low | 61.5 | Low | 76 Ų | 76 | 135.5 Ų | 135.5 | 63% | 0.628 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -73.4 | -19.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | N154 | N154-A158 PolarHBondContact O-N 3.48Å |
| 159 | K | 53.9 | Low | 59.2 | Low | 134 Ų | 134 | 141.1 Ų | 141.1 | 58% | 0.583 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -8.6 | -178.3 | -77.8 | -172.8 | 169.1 | -178.9 | 0 | 115.9 | F155 K157 | F155-K159 HydrophobicContact CD1-CD 4.16Å; F155-K159 HydrophobicContact CE1-CD 3.77Å; F155-K159 HydrophobicContact CZ-CD 4.06Å; F155-K159 PolarHBondContact O-N 2.04Å; K157-K159 VanDerWaalsContact C-N 3.32Å; K157-K159 PolarHBondContact O-N 3.43Å |
| 160 | M | 50.3 | Low | 56.8 | Low | 148 Ų | 148 | 143.6 Ų | 143.6 | 73% | 0.729 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -106.9 | -1.2 | 179.8 | -64 | -167 | -137.6 | 0 | 0 | 114.8 | ||
| 161 | V | 48.4 | Very low | 54.3 | Low | 126 Ų | 126 | 143.4 Ų | 143.4 | 76% | 0.764 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -101.4 | -4.5 | -179.8 | -179.9 | 0 | 0 | 0 | 0 | 112.8 | ||
| 162 | G | 42.4 | Very low | 52.1 | Low | 70 Ų | 70 | 139.4 Ų | 139.4 | 72% | 0.722 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -101.6 | -1.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 163 | V | 46.5 | Very low | 50 | Low | 130 Ų | 130 | 138.3 Ų | 138.3 | 79% | 0.788 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -119.7 | 2.1 | -166.5 | -177.7 | 0 | 0 | 0 | 0 | 114 | ||
| 164 | T | 46.1 | Very low | 48.1 | Very low | 124 Ų | 124 | 141.5 Ų | 141.5 | 76% | 0.761 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -118.4 | 29.9 | -172.7 | 60.9 | 0 | 0 | 0 | 0 | 115.3 | ||
| 165 | R | 43 | Very low | 46.7 | Very low | 246 Ų | 246 | 142.5 Ų | 142.5 | 93% | 0.928 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -147.2 | 14.3 | -176.7 | -145.2 | -177.7 | 169.9 | 136.8 | -0.3 | 119.1 | ||
| 166 | A | 41.4 | Very low | 45.8 | Very low | 98 Ų | 98 | 143.1 Ų | 143.1 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -137.1 | 10.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 167 | E | 45.7 | Very low | 44.9 | Very low | 193 Ų | 193 | 149.6 Ų | 149.6 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -132.6 | 30.2 | -175.9 | -114.3 | 157 | 169.2 | 0 | 0 | 114.3 | ||
| 168 | Y | 43.4 | Very low | 44.5 | Very low | 234 Ų | 234 | 148.9 Ų | 148.9 | 92% | 0.918 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -103.5 | 14.2 | 179.3 | -164.3 | -105 | 0 | 0 | 0 | 114.5 | ||
| 169 | E | 46.8 | Very low | 44.1 | Very low | 195 Ų | 195 | 150 Ų | 150 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -142.2 | 25.1 | -167.6 | -134.8 | -180 | 157.3 | 0 | 0 | 116.7 | ||
| 170 | R | 39.9 | Very low | 43.9 | Very low | 212 Ų | 212 | 150.7 Ų | 150.7 | 80% | 0.8 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -124.2 | -6.5 | -178.4 | -153.3 | 175.8 | -78.7 | 124.6 | -4.3 | 118 | S172 | R170-S172 PolarHBondContact O-N 3.39Š|
| 171 | D | 40.1 | Very low | 43.9 | Very low | 165 Ų | 165 | 155.6 Ų | 155.6 | 88% | 0.882 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -103.2 | 41.4 | -175.4 | -64.2 | -26.3 | 0 | 0 | 0 | 114 | ||
| 172 | S | 41.4 | Very low | 43.6 | Very low | 109 Ų | 109 | 155 Ų | 155 | 76% | 0.762 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -143 | 59.9 | -178.6 | -54.1 | 0 | 0 | 0 | 0 | 113.2 | R170 | R170-S172 PolarHBondContact O-N 3.39Š|
| 173 | N | 41.1 | Very low | 43.7 | Very low | 167 Ų | 167 | 158.7 Ų | 158.7 | 89% | 0.893 | 84% | 0.837 | S | S | * | * | S | Bend | trans | 173.3 | 148.3 | 145.2 | -103.3 | -25.2 | 0 | 0 | 0 | 111.1 | ||
| 174 | S | 36 | Very low | 43.6 | Very low | 110 Ų | 110 | 163.9 Ų | 163.9 | 77% | 0.769 | 84% | 0.843 | S | S | * | * | trans | 93 | 85.2 | 164.8 | -156.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 175 | S | 43.5 | Very low | 43.8 | Very low | 126 Ų | 126 | 167 Ų | 167 | 88% | 0.881 | 85% | 0.846 | S | S | * | * | trans | -136.8 | 93.8 | 150.6 | 35.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 176 | N | 44.7 | Very low | 43.9 | Very low | 133 Ų | 133 | 158.4 Ų | 158.4 | 71% | 0.711 | 83% | 0.833 | S | S | * | * | trans | -149.7 | 93.7 | 157.9 | 58.6 | -36.7 | 0 | 0 | 0 | 108.2 | ||||
| 177 | E | 40.9 | Very low | 44.7 | Very low | 188 Ų | 188 | 160 Ų | 160 | 88% | 0.879 | 84% | 0.835 | S | S | * | * | 172 | 110 | 126.3 | -96.5 | -175.6 | 115.4 | 0 | 0 | 110.6 | |||||
| 178 | T | 44.4 | Very low | 44.7 | Very low | 143 Ų | 143 | 156.7 Ų | 156.7 | 88% | 0.877 | 83% | 0.834 | S | S | * | * | trans | -34.8 | 122.1 | 160.8 | 20.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 179 | A | 45.3 | Very low | 44.8 | Very low | 99 Ų | 99 | 154.8 Ų | 154.8 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -137.5 | 112 | 151.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | R181 | A179-R181 PolarHBondContact O-N 3.46Š| ||
| 180 | N | 50.5 | Low | 44.7 | Very low | 149 Ų | 149 | 152.2 Ų | 152.2 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | trans | -42.4 | 127 | 166.2 | -71 | -35.8 | 0 | 0 | 0 | 112.1 | ||||
| 181 | R | 51.4 | Low | 44.7 | Very low | 251 Ų | 251 | 150.3 Ų | 150.3 | 95% | 0.947 | 82% | 0.817 | S | S | * | * | trans | -172.4 | 126.4 | 130.8 | -96 | 148.8 | -170.3 | 145.6 | 0.8 | 110.8 | A179 | A179-R181 PolarHBondContact O-N 3.46Š| ||
| 182 | S | 40.5 | Very low | 44.5 | Very low | 112 Ų | 112 | 153.5 Ų | 153.5 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | trans | -66.4 | 140.2 | -178.3 | 53.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 183 | I | 45.3 | Very low | 44.4 | Very low | 148 Ų | 148 | 154.1 Ų | 154.1 | 76% | 0.759 | 82% | 0.819 | S | S | * | * | -161 | 121.1 | 111.3 | -57.4 | -161.4 | 0 | 0 | 0 | 106 | F185 | I183-F185 HydrophobicContact CG2-CD2 4.1Å; I183-F185 HydrophobicContact CG2-CE2 3.87Å | |||
| 184 | R | 43.7 | Very low | 44.3 | Very low | 240 Ų | 240 | 154 Ų | 154 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | trans | -98.8 | 113.8 | -175.2 | -176.5 | -178.3 | -94.5 | -158.7 | -3.9 | 110.5 | ||||
| 185 | F | 51.4 | Low | 44.7 | Very low | 190 Ų | 190 | 152.5 Ų | 152.5 | 83% | 0.833 | 82% | 0.821 | S | S | * | * | trans | -114.9 | 125.6 | 157.5 | -76.5 | -82.8 | 0 | 0 | 0 | 108.2 | I183 | I183-F185 HydrophobicContact CG2-CD2 4.1Å; I183-F185 HydrophobicContact CG2-CE2 3.87Å | ||
| 186 | G | 44.9 | Very low | 44.4 | Very low | 64 Ų | 64 | 153.2 Ų | 153.2 | 66% | 0.66 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 153 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 187 | P | 57.6 | Low | 44.1 | Very low | 131 Ų | 131 | 152.4 Ų | 152.4 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 136.1 | 178.9 | 29.8 | -31.4 | 0 | 0 | 0 | 111.9 | ||
| 188 | S | 46.3 | Very low | 44.1 | Very low | 124 Ų | 124 | 150 Ų | 150 | 87% | 0.867 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 141 | 176.2 | -73.3 | 0 | 0 | 0 | 0 | 112.8 | ||
| 189 | R | 44.7 | Very low | 43.8 | Very low | 195 Ų | 195 | 147.5 Ų | 147.5 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 129.6 | -168.9 | -57.7 | 176.5 | -171.2 | -129.3 | -5.7 | 113.5 | Y191 | R189-Y191 HydrophobicContact CB-CD2 4.12Å; R189-Y191 HydrophobicContact CB-CE2 3.86Å; R189-Y191 WeakPolarHBondContact CD-OH 3.28Å; R189-Y191 HydrophobicContact CG-CE2 4.37Å; R189-Y191 PolarHBondContact NH1-OH 2.94Å |
| 190 | T | 44.3 | Very low | 43.6 | Very low | 140 Ų | 140 | 152.5 Ų | 152.5 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -92 | 119.7 | 150.3 | 40.3 | 0 | 0 | 0 | 0 | 108 | ||
| 191 | Y | 41.7 | Very low | 43.1 | Very low | 173 Ų | 173 | 149.2 Ų | 149.2 | 68% | 0.678 | 81% | 0.814 | S | S | * | * | trans | -90.3 | 111.5 | 172.1 | -78 | -85 | 0 | 0 | 0 | 109.5 | R189 | R189-Y191 HydrophobicContact CB-CD2 4.12Å; R189-Y191 HydrophobicContact CB-CE2 3.86Å; R189-Y191 WeakPolarHBondContact CD-OH 3.28Å; R189-Y191 HydrophobicContact CG-CE2 4.37Å; R189-Y191 PolarHBondContact NH1-OH 2.94Å | ||
| 192 | R | 35.6 | Very low | 42.7 | Very low | 231 Ų | 231 | 147 Ų | 147 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | -123.6 | 130.1 | 148.3 | -75.5 | -166.7 | -175.8 | 114.2 | -1.6 | 106.5 | ||||
| 193 | C | 39.1 | Very low | 42.5 | Very low | 122 Ų | 122 | 152.9 Ų | 152.9 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | trans | -136.6 | 92.9 | 163.9 | -67.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 194 | D | 38.8 | Very low | 42.2 | Very low | 164 Ų | 164 | 151.1 Ų | 151.1 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | trans | -79.1 | 141.6 | 147.6 | -72.3 | -50.9 | 0 | 0 | 0 | 107.7 | ||||
| 195 | G | 43.3 | Very low | 42.1 | Very low | 80 Ų | 80 | 147.1 Ų | 147.1 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | 178.1 | 90 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 196 | T | 38 | Very low | 41.6 | Very low | 141 Ų | 141 | 144 Ų | 144 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | trans | -70.3 | 161.3 | 170.6 | 29.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 197 | P | 38.8 | Very low | 41.5 | Very low | 115 Ų | 115 | 148.3 Ų | 148.3 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | trans | -101.5 | 151.5 | -160.2 | 37.6 | -31.1 | 0 | 0 | 0 | 114.3 | ||||
| 198 | T | 39.6 | Very low | 40.7 | Very low | 137 Ų | 137 | 147.1 Ų | 147.1 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | trans | -153.3 | 117.5 | 155.3 | 42.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 199 | S | 39.8 | Very low | 40.6 | Very low | 92 Ų | 92 | 151.3 Ų | 151.3 | 64% | 0.643 | 80% | 0.802 | S | S | * | * | trans | 18.5 | 150.4 | 142.9 | 65.5 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 200 | F | 41 | Very low | 40.5 | Very low | 203 Ų | 203 | 149.7 Ų | 149.7 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | trans | 97.2 | 116.8 | 150.6 | -72.7 | -78.9 | 0 | 0 | 0 | 119.5 | ||||
| 201 | G | 39.3 | Very low | 40.6 | Very low | 80 Ų | 80 | 152.7 Ų | 152.7 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | 167.5 | 101.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 202 | K | 42.7 | Very low | 40.6 | Very low | 204 Ų | 204 | 150 Ų | 150 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | trans | -61.7 | 154.2 | -167.5 | -62.3 | 164 | -179.4 | 179.4 | 0 | 117.2 | ||||
| 203 | R | 36 | Very low | 40.9 | Very low | 237 Ų | 237 | 147.8 Ų | 147.8 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | trans | -68 | 172.8 | 171.4 | -69.6 | -178.3 | -102.3 | 179.7 | -7.1 | 113.5 | ||||
| 204 | P | 40.5 | Very low | 41.1 | Very low | 110 Ų | 110 | 146.5 Ų | 146.5 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | -150.8 | 156.7 | 97.9 | 24.1 | -0.7 | 0 | 0 | 0 | 119.1 | |||||
| 205 | L | 41.6 | Very low | 41.2 | Very low | 157 Ų | 157 | 147.7 Ų | 147.7 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | 60.2 | 143.1 | 142 | -79 | 135.9 | 0 | 0 | 0 | 119.7 | ||||
| 206 | D | 41.3 | Very low | 40.7 | Very low | 124 Ų | 124 | 151.9 Ų | 151.9 | 66% | 0.663 | 80% | 0.798 | S | S | * | * | cis | -167.3 | 166.8 | 1.5 | -160.6 | 3.2 | 0 | 0 | 0 | 109.3 | ||||
| 207 | Q | 41.2 | Very low | 40.8 | Very low | 154 Ų | 154 | 150.4 Ų | 150.4 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | trans | 81.7 | 87.8 | 156.5 | -79.7 | 171.4 | 33.6 | 0 | 0 | 122.9 | ||||
| 208 | S | 41.8 | Very low | 40.8 | Very low | 107 Ų | 107 | 149 Ų | 149 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | 46.1 | 117.8 | 113.1 | 56.3 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 209 | K | 43.8 | Very low | 40.7 | Very low | 212 Ų | 212 | 149.1 Ų | 149.1 | 92% | 0.922 | 78% | 0.784 | S | S | * | * | -155.6 | 122.1 | 124.6 | -151.8 | 167.4 | -176 | 169.8 | 0 | 111.3 | |||||
| 210 | E | 43.4 | Very low | 40.7 | Very low | 160 Ų | 160 | 148.4 Ų | 148.4 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -90.2 | 142.1 | -175.8 | -173.5 | 177.2 | 158.2 | 0 | 0 | 110.2 | ||||
| 211 | K | 45.1 | Very low | 40.7 | Very low | 204 Ų | 204 | 144.8 Ų | 144.8 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | trans | -165.4 | 137.9 | 144.1 | -118.3 | -177.3 | -180 | -173.4 | 0 | 111.6 | ||||
| 212 | D | 41.6 | Very low | 40.9 | Very low | 117 Ų | 117 | 149.2 Ų | 149.2 | 63% | 0.626 | 78% | 0.777 | S | S | * | * | trans | -91.5 | -177.2 | -154 | -58.4 | -73.8 | 0 | 0 | 0 | 116.1 | ||||
| 213 | E | 43 | Very low | 40.5 | Very low | 183 Ų | 183 | 148.5 Ų | 148.5 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | trans | 98.8 | 98.4 | 155.1 | -51.2 | -174.2 | 147.2 | 0 | 0 | 114.8 | ||||
| 214 | A | 42.6 | Very low | 40.7 | Very low | 96 Ų | 96 | 141.7 Ų | 141.7 | 79% | 0.793 | 77% | 0.772 | S | S | * | * | 69.6 | 125.2 | 78.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 215 | E | 40.8 | Very low | 40.4 | Very low | 189 Ų | 189 | 143 Ų | 143 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | cis | -156.7 | 153.8 | 25.3 | -98.6 | 174.8 | 119.6 | 0 | 0 | 108.8 | ||||
| 216 | E | 33.3 | Very low | 40 | Very low | 168 Ų | 168 | 140.3 Ų | 140.3 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | -102.5 | 147 | 158.8 | -109 | -92.2 | 160.3 | 0 | 0 | 107 | S218 | E216-S218 PolarHBondContact OE2-N 2.88Š| ||
| 217 | P | 40.6 | Very low | 39.7 | Very low | 110 Ų | 110 | 142.8 Ų | 142.8 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | -148.6 | 126.4 | 111.6 | 32.3 | -13.4 | 0 | 0 | 0 | 115.7 | |||||
| 218 | S | 37.2 | Very low | 39.6 | Very low | 84 Ų | 84 | 143.4 Ų | 143.4 | 59% | 0.587 | 79% | 0.792 | S | S | * | * | 38.7 | 117.3 | 120.5 | 73.7 | 0 | 0 | 0 | 0 | 121.4 | E216 | E216-S218 PolarHBondContact OE2-N 2.88Š| |||
| 219 | V | 38.9 | Very low | 39.4 | Very low | 141 Ų | 141 | 146.6 Ų | 146.6 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | 48.3 | 112.8 | 121.8 | -171.6 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 220 | G | 39 | Very low | 39.1 | Very low | 77 Ų | 77 | 144.9 Ų | 144.9 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -158.2 | 121 | 161.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 221 | D | 40.9 | Very low | 38.8 | Very low | 126 Ų | 126 | 145.5 Ų | 145.5 | 67% | 0.674 | 80% | 0.803 | S | S | * | * | trans | -62.9 | 150.3 | -169.4 | -76 | -67.6 | 0 | 0 | 0 | 117.8 | ||||
| 222 | K | 43 | Very low | 38.5 | Very low | 173 Ų | 173 | 142.9 Ų | 142.9 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | 67.5 | 107.9 | 136.9 | -65.5 | 164.2 | -165.8 | 163.8 | 0 | 120.7 | ||||
| 223 | E | 35.9 | Very low | 38 | Very low | 190 Ų | 190 | 141.3 Ų | 141.3 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | 48.1 | 91.4 | 112.4 | -156.5 | 174 | -176.2 | 0 | 0 | 118 | |||||
| 224 | A | 39.4 | Very low | 37.9 | Very low | 94 Ų | 94 | 139 Ų | 139 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | trans | -175.2 | 124.3 | 139.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 225 | V | 34.9 | Very low | 37.7 | Very low | 138 Ų | 138 | 142 Ų | 142 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | 162.7 | 80.4 | 141.5 | 176.9 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 226 | A | 31.6 | Very low | 37.4 | Very low | 99 Ų | 99 | 137.5 Ų | 137.5 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -89.7 | 112.3 | 149.6 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 227 | E | 36.5 | Very low | 37.7 | Very low | 177 Ų | 177 | 133.6 Ų | 133.6 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | 164.2 | 148.9 | 149.1 | -93.9 | -145 | 115.2 | 0 | 0 | 108.1 | ||||
| 228 | L | 38.7 | Very low | 37.5 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 94.2 | 124.4 | -173.6 | -56 | 163.2 | 0 | 0 | 0 | 113.9 | ||
| 229 | L | 37.7 | Very low | 37.4 | Very low | 174 Ų | 174 | 140.9 Ų | 140.9 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | trans | 98.5 | 44.8 | 177.2 | -45.5 | -173.9 | 0 | 0 | 0 | 116.4 | ||||
| 230 | L | 36.4 | Very low | 37.3 | Very low | 176 Ų | 176 | 143.6 Ų | 143.6 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | -100 | 83.1 | 142.8 | -86.1 | 171 | 0 | 0 | 0 | 108.7 | ||||
| 231 | Q | 37.9 | Very low | 37.1 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -171.4 | 94.3 | 157.9 | -112.8 | 162.7 | 7.5 | 0 | 0 | 107.3 | ||||
| 232 | N | 38.4 | Very low | 36.8 | Very low | 149 Ų | 149 | 148 Ų | 148 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | 172 | 105.8 | 139.7 | -82.5 | -3.4 | 0 | 0 | 0 | 105.6 | D234 | N232-D234 PolarHBondContact O-N 3.26Š| ||
| 233 | G | 32.4 | Very low | 36.4 | Very low | 83 Ų | 83 | 150 Ų | 150 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -67.9 | 110.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 234 | D | 39.4 | Very low | 36.3 | Very low | 134 Ų | 134 | 147.1 Ų | 147.1 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | trans | -132.3 | 125.2 | 163.9 | -81.4 | -43.2 | 0 | 0 | 0 | 108.8 | N232 C236 | N232-D234 PolarHBondContact O-N 3.26Å; D234-C236 PolarHBondContact O-N 2.67Å; D234-C236 VanDerWaalsContact O-N 3.08Å; D234-C236 PolarHBondContact O-SG 3.2Å | ||
| 235 | D | 39.9 | Very low | 36.2 | Very low | 161 Ų | 161 | 146.7 Ų | 146.7 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | -60 | 100.8 | -173.5 | -146.8 | -10.8 | 0 | 0 | 0 | 110.5 | S237 | D235-S237 VanDerWaalsContact C-N 3.33Å; D235-S237 PolarHBondContact O-N 3.45Å; D235-S237 VanDerWaalsContact O-N 3.11Å | ||
| 236 | C | 32.8 | Very low | 36.2 | Very low | 94 Ų | 94 | 149.8 Ų | 149.8 | 64% | 0.635 | 80% | 0.795 | S | S | * | * | trans | -87.1 | 72.2 | 179.8 | -72.3 | 0 | 0 | 0 | 0 | 110.8 | M1 D234 | M1-C236 HydrophobicContact CE-CB 3.87Å; M1-C236 VanDerWaalsContact CE-SG 3.57Å; M1-C236 VanDerWaalsContact SD-SG 3.69Å; D234-C236 PolarHBondContact O-N 2.67Å; D234-C236 VanDerWaalsContact O-N 3.08Å; D234-C236 PolarHBondContact O-SG 3.2Å | ||
| 237 | S | 39.5 | Very low | 36.3 | Very low | 85 Ų | 85 | 156.5 Ų | 156.5 | 59% | 0.594 | 80% | 0.799 | S | S | * | * | trans | -136.3 | 128.7 | 169.9 | -140.6 | 0 | 0 | 0 | 0 | 110.2 | D235 | D235-S237 VanDerWaalsContact C-N 3.33Å; D235-S237 PolarHBondContact O-N 3.45Å; D235-S237 VanDerWaalsContact O-N 3.11Å | ||
| 238 | N | 36.8 | Very low | 36.4 | Very low | 124 Ų | 124 | 153.2 Ų | 153.2 | 66% | 0.663 | 80% | 0.796 | S | S | * | * | trans | 85.3 | 73.5 | 178.9 | -64.1 | -36.8 | 0 | 0 | 0 | 119 | ||||
| 239 | Y | 36.1 | Very low | 36.1 | Very low | 223 Ų | 223 | 152 Ų | 152 | 88% | 0.875 | 80% | 0.8 | S | S | * | * | trans | -141.8 | 92.6 | 140.3 | -86.2 | -83.1 | 0 | 0 | 0 | 109.9 | ||||
| 240 | Y | 35.6 | Very low | 36.3 | Very low | 198 Ų | 198 | 147.5 Ų | 147.5 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -113.1 | 100.6 | 155 | -106.9 | -84.9 | 0 | 0 | 0 | 108.1 | ||||
| 241 | V | 36.3 | Very low | 36.3 | Very low | 102 Ų | 102 | 149.1 Ų | 149.1 | 62% | 0.618 | 79% | 0.787 | S | S | * | * | trans | -77.9 | 114.1 | 164.9 | 173.5 | 0 | 0 | 0 | 0 | 106.9 | R243 | V241-R243 PolarHBondContact O-N 2.54Š| ||
| 242 | E | 33.5 | Very low | 36.5 | Very low | 194 Ų | 194 | 148.9 Ų | 148.9 | 91% | 0.907 | 79% | 0.791 | S | S | * | * | trans | -65.4 | 106.2 | 172.6 | -155.6 | 169.4 | -155.5 | 0 | 0 | 108.8 | ||||
| 243 | R | 34.3 | Very low | 36.8 | Very low | 216 Ų | 216 | 147.6 Ų | 147.6 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | trans | -113.4 | 122.4 | 170.2 | -111.8 | -171.9 | -89 | -161.2 | -4.7 | 108.6 | V241 A245 | V241-R243 PolarHBondContact O-N 2.54Å; R243-A245 PolarHBondContact O-N 3Å; R243-A245 VanDerWaalsContact O-N 3.16Å | ||
| 244 | P | 35.2 | Very low | 36.9 | Very low | 128 Ų | 128 | 149.3 Ų | 149.3 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | trans | -76.6 | 105.1 | -179.7 | 29.7 | -31.5 | 0 | 0 | 0 | 109.8 | K246 | P244-K246 PolarHBondContact O-N 2.86Š| ||
| 245 | A | 35.9 | Very low | 37 | Very low | 86 Ų | 86 | 153 Ų | 153 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | -83.1 | 92.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | R243 W247 | R243-A245 PolarHBondContact O-N 3Å; R243-A245 VanDerWaalsContact O-N 3.16Å; A245-W247 PolarHBondContact O-N 2.96Å | ||
| 246 | K | 35.2 | Very low | 36.9 | Very low | 203 Ų | 203 | 149.1 Ų | 149.1 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -79.1 | 92.1 | 151.1 | -80.9 | -175.3 | 178.2 | 179.3 | 0 | 107.6 | P244 | P244-K246 PolarHBondContact O-N 2.86Š| ||
| 247 | W | 34.6 | Very low | 37.5 | Very low | 239 Ų | 239 | 152.3 Ų | 152.3 | 91% | 0.905 | 81% | 0.806 | S | S | * | * | trans | -121.3 | 124.4 | 164.3 | -76.7 | -20.3 | 0 | 0 | 0 | 111 | A245 | A245-W247 PolarHBondContact O-N 2.96Š| ||
| 248 | S | 38.8 | Very low | 37.8 | Very low | 109 Ų | 109 | 157 Ų | 157 | 76% | 0.762 | 82% | 0.823 | S | S | * | * | trans | -69.3 | 127.6 | 176 | 44.4 | 0 | 0 | 0 | 0 | 110.2 | A250 | S248-A250 PolarHBondContact O-N 3.49Š| ||
| 249 | C | 32.6 | Very low | 38 | Very low | 141 Ų | 141 | 159.5 Ų | 159.5 | 95% | 0.953 | 83% | 0.828 | S | S | * | * | trans | -68.7 | 94.5 | 167.8 | -67 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 250 | A | 40.4 | Very low | 38.3 | Very low | 79 Ų | 79 | 156.2 Ų | 156.2 | 65% | 0.653 | 83% | 0.826 | S | S | * | * | trans | -139.7 | 114.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110 | S248 | S248-A250 PolarHBondContact O-N 3.49Š| ||
| 251 | K | 37.5 | Very low | 38.3 | Very low | 209 Ų | 209 | 150.3 Ų | 150.3 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | trans | 59.9 | 97.3 | 165.8 | -81.7 | 167.9 | 173.3 | 170.5 | 0 | 116.7 | ||||
| 252 | L | 42.4 | Very low | 38.7 | Very low | 169 Ų | 169 | 151.8 Ų | 151.8 | 89% | 0.885 | 84% | 0.837 | S | S | * | * | trans | -107.2 | 133.6 | 141.4 | -83.2 | 107.6 | 0 | 0 | 0 | 109.8 | ||||
| 253 | P | 43.4 | Very low | 38.7 | Very low | 122 Ų | 122 | 153.3 Ų | 153.3 | 79% | 0.792 | 84% | 0.836 | S | S | * | * | trans | -75.5 | 131.9 | -177 | 30 | -32.6 | 0 | 0 | 0 | 111.6 | K255 | P253-K255 PolarHBondContact O-N 2.89Š| ||
| 254 | S | 35.4 | Very low | 38.8 | Very low | 120 Ų | 120 | 148.3 Ų | 148.3 | 84% | 0.839 | 83% | 0.834 | S | S | * | * | trans | -80.7 | 97.6 | 176.8 | 11.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 255 | K | 41 | Very low | 38.7 | Very low | 212 Ų | 212 | 151.5 Ų | 151.5 | 92% | 0.922 | 84% | 0.836 | S | S | * | * | trans | -152.4 | 104.8 | 155 | -69.3 | -169.5 | -178.4 | 167.4 | 0 | 109.4 | P253 | P253-K255 PolarHBondContact O-N 2.89Š| ||
| 256 | G | 38.5 | Very low | 38.7 | Very low | 78 Ų | 78 | 152 Ų | 152 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | trans | -168.7 | 113.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 257 | I | 43.9 | Very low | 38.5 | Very low | 161 Ų | 161 | 147.4 Ų | 147.4 | 83% | 0.826 | 83% | 0.827 | S | S | * | * | trans | -77.5 | 117.3 | -162.7 | -70.2 | 153.4 | 0 | 0 | 0 | 111.2 | ||||
| 258 | L | 46.3 | Very low | 38.7 | Very low | 183 Ų | 183 | 145.3 Ų | 145.3 | 96% | 0.958 | 83% | 0.827 | S | S | * | * | trans | -140.7 | 115.6 | 145.4 | -80.6 | 178 | 0 | 0 | 0 | 108.7 | ||||
| 259 | K | 41.1 | Very low | 38.5 | Very low | 178 Ų | 178 | 150.2 Ų | 150.2 | 77% | 0.774 | 83% | 0.829 | S | S | * | * | trans | -106.5 | 132.2 | -173.5 | -149 | -175.9 | 178.3 | 179.7 | 0 | 107.2 | ||||
| 260 | N | 41.7 | Very low | 38.7 | Very low | 153 Ų | 153 | 149.5 Ų | 149.5 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | 87.7 | 110 | 161 | -50.3 | -25.9 | 0 | 0 | 0 | 119.2 | ||||
| 261 | G | 36.2 | Very low | 38.4 | Very low | 75 Ų | 75 | 156.8 Ų | 156.8 | 77% | 0.773 | 84% | 0.836 | S | S | * | * | trans | 174.1 | 122.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 262 | P | 44.1 | Very low | 38.3 | Very low | 133 Ų | 133 | 150 Ų | 150 | 86% | 0.864 | 83% | 0.826 | S | S | * | * | trans | -94 | 152.3 | -142.8 | 35.5 | -35.9 | 0 | 0 | 0 | 117.9 | ||||
| 263 | Y | 34.4 | Very low | 38 | Very low | 225 Ų | 225 | 150.2 Ų | 150.2 | 88% | 0.882 | 83% | 0.827 | S | S | * | * | trans | -31.8 | 140.9 | 166.7 | -68.2 | -95.7 | 0 | 0 | 0 | 119.9 | ||||
| 264 | S | 37.2 | Very low | 37.5 | Very low | 111 Ų | 111 | 151.8 Ų | 151.8 | 78% | 0.776 | 83% | 0.828 | S | S | * | * | 158.4 | 144.1 | 120.5 | 60.3 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 265 | F | 32.9 | Very low | 37.4 | Very low | 196 Ų | 196 | 154.8 Ų | 154.8 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | cis | -163.3 | 141 | 14.8 | -153.6 | -111.5 | 0 | 0 | 0 | 109.7 | ||||
| 266 | S | 34.7 | Very low | 37 | Very low | 97 Ų | 97 | 156.6 Ų | 156.6 | 68% | 0.678 | 83% | 0.83 | S | S | * | * | trans | 63.9 | 102.3 | 146 | -161.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 267 | S | 30.6 | Very low | 36.6 | Very low | 106 Ų | 106 | 156.3 Ų | 156.3 | 74% | 0.741 | 83% | 0.827 | S | S | * | * | trans | -95.4 | 125.6 | 151.9 | 172.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 268 | Q | 39 | Very low | 35.8 | Very low | 194 Ų | 194 | 154.8 Ų | 154.8 | 91% | 0.907 | 83% | 0.829 | S | S | * | * | trans | -90.6 | 111.1 | 157 | -93.4 | 178.9 | -28.1 | 0 | 0 | 108.3 | ||||
| 269 | R | 34.4 | Very low | 35.3 | Very low | 213 Ų | 213 | 153.8 Ų | 153.8 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -109.6 | 110.4 | 172.9 | -166.1 | 178.5 | -167 | -172.8 | 5.2 | 108.4 | ||||
| 270 | S | 37.1 | Very low | 34.8 | Very low | 125 Ų | 125 | 147.7 Ų | 147.7 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -86.9 | 119.4 | 162.5 | -62.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 271 | R | 34.1 | Very low | 34.1 | Very low | 232 Ų | 232 | 150.4 Ų | 150.4 | 88% | 0.875 | 81% | 0.813 | S | S | * | * | trans | -80.8 | 134.7 | 173.2 | -75.9 | 175.4 | 162.7 | 168 | -4.8 | 110 | ||||
| 272 | G | 35.3 | Very low | 33.9 | Very low | 67 Ų | 67 | 154.2 Ų | 154.2 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | trans | -152.8 | 97.2 | 156.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 273 | L | 36.7 | Very low | 33.2 | Very low | 173 Ų | 173 | 153.5 Ų | 153.5 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | 90.1 | 121.3 | 102.4 | -88.1 | 169.4 | 0 | 0 | 0 | 113 | |||||
| 274 | L | 32.2 | Very low | 33.1 | Very low | 155 Ų | 155 | 151.2 Ų | 151.2 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | trans | -39.4 | 141.3 | 169.9 | -75.5 | 124.5 | 0 | 0 | 0 | 114.1 | ||||
| 275 | Q | 34 | Very low | 32.9 | Very low | 184 Ų | 184 | 150.9 Ų | 150.9 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | -165.5 | 142.2 | 121.8 | -149.9 | 80.1 | -6.3 | 0 | 0 | 110.1 | |||||
| 276 | R | 31.6 | Very low | 32.7 | Very low | 250 Ų | 250 | 146.3 Ų | 146.3 | 94% | 0.943 | 80% | 0.799 | S | S | * | * | trans | -57.9 | 153.5 | 176.1 | -70.3 | 169.8 | 166.9 | 140.5 | -6.2 | 113.5 | ||||
| 277 | G | 31.7 | Very low | 32.7 | Very low | 72 Ų | 72 | 151.1 Ų | 151.1 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | trans | 167.2 | 99.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 278 | C | 27.2 | Very low | 32.8 | Very low | 129 Ų | 129 | 151.9 Ų | 151.9 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | -91.6 | 104.3 | 166.8 | -66.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 279 | D | 34.6 | Very low | 32.6 | Very low | 161 Ų | 161 | 149.6 Ų | 149.6 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | trans | -156.5 | 119.5 | 163.3 | -71.2 | -52.8 | 0 | 0 | 0 | 103.1 | ||||
| 280 | G | 30.3 | Very low | 32.6 | Very low | 51 Ų | 51 | 142.7 Ų | 142.7 | 53% | 0.526 | 81% | 0.805 | S | S | . | * | 100 | 111.8 | 67.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 281 | Y | 28.7 | Very low | 32.3 | Very low | 209 Ų | 209 | 146.2 Ų | 146.2 | 82% | 0.82 | 81% | 0.808 | S | S | * | * | trans | 56.5 | 157.2 | 161.8 | 75 | -95.2 | 0 | 0 | 0 | 116.4 | ||||
| 282 | E | 30.7 | Very low | 32 | Very low | 155 Ų | 155 | 138.5 Ų | 138.5 | 72% | 0.724 | 80% | 0.8 | S | S | * | * | cis | -152.1 | 144.6 | 24 | -117.9 | 158.2 | 155.6 | 0 | 0 | 108.3 | ||||
| 283 | S | 30 | Very low | 31.6 | Very low | 118 Ų | 118 | 143 Ų | 143 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -73.8 | 127.3 | 158.3 | 47 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 284 | E | 31.6 | Very low | 31.1 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | trans | -125 | 153.8 | 172.3 | -105 | -153.1 | 94.9 | 0 | 0 | 112 | ||||
| 285 | P | 32.8 | Very low | 31 | Very low | 105 Ų | 105 | 143.2 Ų | 143.2 | 68% | 0.682 | 80% | 0.804 | S | S | * | * | -124.9 | 175.5 | -128.6 | 21.6 | 3.3 | 0 | 0 | 0 | 114 | |||||
| 286 | A | 30.2 | Very low | 30.7 | Very low | 99 Ų | 99 | 138.6 Ų | 138.6 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 140.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 287 | F | 33.2 | Very low | 30.8 | Very low | 199 Ų | 199 | 131.3 Ų | 131.3 | 87% | 0.873 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 143.2 | 174.4 | -76.9 | -95.6 | 0 | 0 | 0 | 113.2 | ||
| 288 | P | 32.9 | Very low | 30.8 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 130.1 | 164.4 | 33.1 | -28 | 0 | 0 | 0 | 111.1 | ||
| 289 | V | 35.7 | Very low | 31.1 | Very low | 147 Ų | 147 | 139.5 Ų | 139.5 | 89% | 0.891 | 78% | 0.778 | S | S | * | * | trans | -90.4 | 110.8 | 165.9 | 175.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 290 | G | 33.3 | Very low | 30.7 | Very low | 68 Ų | 68 | 137.7 Ų | 137.7 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | -74.8 | 151.2 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 291 | E | 31.2 | Very low | 30.8 | Very low | 198 Ų | 198 | 146 Ų | 146 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | trans | -66.2 | 152.7 | -171.7 | -56.8 | 176.1 | 144.7 | 0 | 0 | 114.6 | ||||
| 292 | G | 27.2 | Very low | 30.7 | Very low | 70 Ų | 70 | 143 Ų | 143 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | 88.4 | 85 | 138.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 293 | L | 27 | Very low | 30.6 | Very low | 163 Ų | 163 | 143.5 Ų | 143.5 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -146.3 | 109.5 | 134.4 | -133.9 | 80.5 | 0 | 0 | 0 | 110.1 | V295 | L293-V295 HydrophobicContact CD2-CG2 4.38Å; L293-V295 PolarHBondContact O-N 3.06Å; L293-V295 VanDerWaalsContact O-N 3.17Å | ||
| 294 | K | 26.5 | Very low | 30.8 | Very low | 220 Ų | 220 | 143.5 Ų | 143.5 | 96% | 0.957 | 79% | 0.786 | S | S | * | * | trans | -74.7 | 97.2 | 179.8 | -154 | 171.6 | -172.5 | 177.2 | 0 | 108 | ||||
| 295 | V | 30.1 | Very low | 30.7 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 68% | 0.679 | 78% | 0.778 | S | S | * | * | trans | -119.9 | 111.5 | 173.3 | -175.1 | 0 | 0 | 0 | 0 | 108 | L293 | L293-V295 HydrophobicContact CD2-CG2 4.38Å; L293-V295 PolarHBondContact O-N 3.06Å; L293-V295 VanDerWaalsContact O-N 3.17Å | ||
| 296 | A | 28.7 | Very low | 30.6 | Very low | 87 Ų | 87 | 141.8 Ų | 141.8 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | trans | -63.5 | 131.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | R298 | A296-R298 PolarHBondContact O-N 2.91Š| ||
| 297 | P | 33 | Very low | 30.8 | Very low | 97 Ų | 97 | 141.4 Ų | 141.4 | 63% | 0.63 | 78% | 0.778 | S | S | * | * | trans | -90.7 | 101.1 | 169.7 | 34.8 | -27.8 | 0 | 0 | 0 | 108.6 | H299 | P297-H299 VanDerWaalsContact C-N 3.29Å; P297-H299 WeakPolarHBondContact CB-NE2 3.49Å; P297-H299 PolarHBondContact O-N 2.87Å | ||
| 298 | R | 31.6 | Very low | 30.9 | Very low | 245 Ų | 245 | 139.6 Ų | 139.6 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | trans | -70.1 | 93.9 | 156.4 | -78.8 | -169.5 | 165.5 | -170.8 | -3.9 | 107.2 | A296 C300 | A296-R298 PolarHBondContact O-N 2.91Å; R298-C300 PolarHBondContact O-N 3.05Å | ||
| 299 | H | 33.3 | Very low | 30.9 | Very low | 127 Ų | 127 | 137.8 Ų | 137.8 | 59% | 0.588 | 78% | 0.781 | S | S | * | * | trans | -75.8 | 98.6 | 170.2 | -74.9 | -84.2 | 0 | 0 | 0 | 109.4 | P297 W301 | P297-H299 VanDerWaalsContact C-N 3.29Å; P297-H299 WeakPolarHBondContact CB-NE2 3.49Å; P297-H299 PolarHBondContact O-N 2.87Å; H299-W301 AromaticContact ND1-CZ2 3.99Å | ||
| 300 | C | 26.8 | Very low | 30.7 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | -79.5 | 111.3 | 153.8 | -71.9 | 0 | 0 | 0 | 0 | 107.1 | R298 | R298-C300 PolarHBondContact O-N 3.05Š| ||
| 301 | W | 31.8 | Very low | 30.6 | Very low | 225 Ų | 225 | 145.8 Ų | 145.8 | 85% | 0.852 | 79% | 0.789 | S | S | * | * | trans | -88.9 | 127.1 | 165.8 | -64.4 | 93.9 | 0 | 0 | 0 | 108.1 | H299 | H299-W301 AromaticContact ND1-CZ2 3.99Š| ||
| 302 | L | 26.8 | Very low | 30.6 | Very low | 147 Ų | 147 | 141.1 Ų | 141.1 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | -110 | 105.8 | 177.9 | -146.1 | 139.8 | 0 | 0 | 0 | 106.5 | V304 | L302-V304 HydrophobicContact CD2-CG2 3.74Å; L302-V304 PolarHBondContact O-N 3.15Å | ||
| 303 | Q | 28.6 | Very low | 30.8 | Very low | 165 Ų | 165 | 144.9 Ų | 144.9 | 77% | 0.771 | 78% | 0.781 | S | S | * | * | trans | -77.5 | 113.6 | 171.4 | -175.3 | 163.9 | -25.9 | 0 | 0 | 107.3 | ||||
| 304 | V | 34.7 | Very low | 31.1 | Very low | 117 Ų | 117 | 144 Ų | 144 | 71% | 0.709 | 78% | 0.777 | S | S | * | * | trans | -99.1 | 95.1 | 176.1 | -178.7 | 0 | 0 | 0 | 0 | 106.8 | L302 | L302-V304 HydrophobicContact CD2-CG2 3.74Å; L302-V304 PolarHBondContact O-N 3.15Å | ||
| 305 | D | 29.8 | Very low | 31.3 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 66% | 0.658 | 77% | 0.771 | S | S | * | * | trans | -74.6 | 122.4 | 164.8 | -91.2 | -53.7 | 0 | 0 | 0 | 109 | S307 | D305-S307 VanDerWaalsContact C-N 3.34Å; D305-S307 PolarHBondContact O-N 2.81Å; D305-S307 VanDerWaalsContact O-N 3.13Å | ||
| 306 | S | 30.5 | Very low | 31.4 | Very low | 123 Ų | 123 | 145 Ų | 145 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -85.2 | 77.7 | -179.6 | -164.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 307 | S | 33.5 | Very low | 31.5 | Very low | 91 Ų | 91 | 145.3 Ų | 145.3 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -161.2 | 119.5 | 159.7 | 52.8 | 0 | 0 | 0 | 0 | 108.8 | D305 | D305-S307 VanDerWaalsContact C-N 3.34Å; D305-S307 PolarHBondContact O-N 2.81Å; D305-S307 VanDerWaalsContact O-N 3.13Å |
| 308 | D | 36.8 | Very low | 31.5 | Very low | 161 Ų | 161 | 151.7 Ų | 151.7 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | 70.8 | 96.3 | 168 | -56 | -27.7 | 0 | 0 | 0 | 118 | R310 | D308-R310 PolarHBondContact O-N 3.4Š| ||
| 309 | G | 31.2 | Very low | 31.7 | Very low | 83 Ų | 83 | 147.9 Ų | 147.9 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | -61.1 | 106.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 310 | R | 31.5 | Very low | 31.7 | Very low | 243 Ų | 243 | 147.7 Ų | 147.7 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | trans | -174.1 | 109.6 | 148 | -100.1 | 172.6 | -156 | 178.9 | 7.1 | 108 | D308 | D308-R310 PolarHBondContact O-N 3.4Š| ||
| 311 | V | 31.8 | Very low | 32 | Very low | 141 Ų | 141 | 146.9 Ų | 146.9 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | -108.9 | 110.8 | 172.6 | 179 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 312 | S | 32.3 | Very low | 32.1 | Very low | 99 Ų | 99 | 145.8 Ų | 145.8 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | trans | -87.2 | 132.5 | 159.1 | 53.6 | 0 | 0 | 0 | 0 | 109.1 | N314 | S312-N314 PolarHBondContact O-N 3.4Š| ||
| 313 | I | 30.7 | Very low | 32.4 | Very low | 150 Ų | 150 | 142.7 Ų | 142.7 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -83.7 | 108.2 | 179.3 | -52 | 167.9 | 0 | 0 | 0 | 108.1 | ||||
| 314 | N | 33.6 | Very low | 32.6 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | -113.3 | 122.8 | 163.8 | -77.2 | -8.8 | 0 | 0 | 0 | 109 | S312 | S312-N314 PolarHBondContact O-N 3.4Š| ||
| 315 | H | 29.8 | Very low | 32.3 | Very low | 181 Ų | 181 | 142.9 Ų | 142.9 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | -98.5 | 98.9 | -178.3 | -153.2 | -77.8 | 0 | 0 | 0 | 106.3 | ||||
| 316 | E | 33.5 | Very low | 32.5 | Very low | 173 Ų | 173 | 145.3 Ų | 145.3 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | trans | -113.9 | 120.9 | 175.4 | -151.8 | 99.6 | 172 | 0 | 0 | 110.1 | ||||
| 317 | S | 30.6 | Very low | 32.3 | Very low | 93 Ų | 93 | 145.9 Ų | 145.9 | 65% | 0.65 | 80% | 0.8 | S | S | * | * | trans | -83.5 | 141.4 | -172.4 | 43.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 318 | Y | 33.3 | Very low | 32.5 | Very low | 230 Ų | 230 | 148.7 Ų | 148.7 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | trans | -144.3 | 109.5 | 150.8 | -91.9 | -85.8 | 0 | 0 | 0 | 110.7 | ||||
| 319 | L | 34.3 | Very low | 32.1 | Very low | 165 Ų | 165 | 144.8 Ų | 144.8 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | -124.7 | 136.3 | 161.8 | -90 | 169.8 | 0 | 0 | 0 | 107.3 | ||||
| 320 | P | 34.4 | Very low | 32.2 | Very low | 124 Ų | 124 | 144.3 Ų | 144.3 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | trans | -87.6 | 121.2 | 172.4 | 32.4 | -27.1 | 0 | 0 | 0 | 111.3 | ||||
| 321 | S | 31.6 | Very low | 32.1 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | trans | 14.9 | 115.9 | 146.8 | -168.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 322 | K | 34.6 | Very low | 32.3 | Very low | 202 Ų | 202 | 144.6 Ų | 144.6 | 88% | 0.878 | 81% | 0.805 | S | S | * | * | 169.1 | 124 | 114.5 | -92.4 | 178.2 | -179.4 | 179.5 | 0 | 113.1 | |||||
| 323 | G | 33.3 | Very low | 32.2 | Very low | 82 Ų | 82 | 146.5 Ų | 146.5 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | 79.1 | 148.4 | 161.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 324 | A | 32.5 | Very low | 32.3 | Very low | 77 Ų | 77 | 144 Ų | 144 | 64% | 0.636 | 81% | 0.814 | S | S | * | * | cis | -170.2 | 129.4 | -12.8 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 325 | Y | 29.4 | Very low | 32 | Very low | 209 Ų | 209 | 143.7 Ų | 143.7 | 82% | 0.82 | 82% | 0.817 | S | S | * | * | trans | 51.8 | 143.5 | 161.7 | 73.1 | -89.4 | 0 | 0 | 0 | 124.9 | ||||
| 326 | E | 32.3 | Very low | 32 | Very low | 174 Ų | 174 | 141 Ų | 141 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | trans | 78.8 | 102.4 | 155 | -73.2 | 176.2 | 165.4 | 0 | 0 | 122.5 | ||||
| 327 | T | 28 | Very low | 31.7 | Very low | 136 Ų | 136 | 144.5 Ų | 144.5 | 83% | 0.834 | 82% | 0.823 | S | S | * | * | trans | -72.6 | 128.4 | 161.5 | 44.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 328 | V | 36 | Very low | 31.9 | Very low | 149 Ų | 149 | 145.6 Ų | 145.6 | 90% | 0.903 | 83% | 0.831 | S | S | * | * | trans | -137.5 | 125.8 | 149 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 329 | G | 30.1 | Very low | 31.9 | Very low | 80 Ų | 80 | 146.1 Ų | 146.1 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | trans | -77.5 | 156.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 330 | G | 33.2 | Very low | 31.8 | Very low | 73 Ų | 73 | 144.9 Ų | 144.9 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | trans | -169.1 | 98.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 331 | K | 29.7 | Very low | 31.9 | Very low | 202 Ų | 202 | 146.3 Ų | 146.3 | 88% | 0.878 | 83% | 0.826 | S | S | * | * | trans | -74.4 | 119.4 | 174 | -71.7 | 174.5 | 177.2 | 175.3 | 0 | 109.5 | ||||
| 332 | H | 36.1 | Very low | 32 | Very low | 188 Ų | 188 | 149 Ų | 149 | 87% | 0.87 | 83% | 0.826 | S | S | * | * | trans | -135.8 | 99.1 | 158.2 | -82.4 | -95.5 | 0 | 0 | 0 | 109.6 | ||||
| 333 | T | 28.6 | Very low | 32.2 | Very low | 139 Ų | 139 | 146.1 Ų | 146.1 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | -79.7 | 112.4 | 168.7 | 47.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 334 | A | 33.5 | Very low | 32.2 | Very low | 98 Ų | 98 | 147.1 Ų | 147.1 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | trans | -107.3 | 103 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | C336 | A334-C336 PolarHBondContact O-N 2.79Š| ||
| 335 | T | 28.2 | Very low | 32.1 | Very low | 136 Ų | 136 | 148.4 Ų | 148.4 | 83% | 0.834 | 84% | 0.836 | S | S | * | * | trans | -76.6 | 107.9 | 175 | -1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 336 | C | 28.4 | Very low | 32.4 | Very low | 125 Ų | 125 | 143 Ų | 143 | 85% | 0.845 | 84% | 0.835 | S | S | * | * | trans | -102.3 | 103.1 | 165.1 | -87.4 | 0 | 0 | 0 | 0 | 110 | A334 | A334-C336 PolarHBondContact O-N 2.79Š| ||
| 337 | R | 28.7 | Very low | 32.6 | Very low | 247 Ų | 247 | 143 Ų | 143 | 93% | 0.932 | 84% | 0.839 | S | S | * | * | trans | -73.5 | 121.5 | 164 | -88.7 | 178.2 | 168.6 | 157.1 | -3.5 | 108.9 | ||||
| 338 | S | 34.5 | Very low | 33.1 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 81% | 0.811 | 84% | 0.838 | S | S | * | * | trans | -118.6 | 120.6 | 162 | -68.1 | 0 | 0 | 0 | 0 | 109 | L340 | S338-L340 PolarHBondContact O-N 2.94Š| ||
| 339 | R | 33.5 | Very low | 33 | Very low | 241 Ų | 241 | 140.9 Ų | 140.9 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | trans | -67.8 | 125.7 | -178.9 | -66.6 | -176.2 | -169.5 | -134.7 | 4 | 110.1 | ||||
| 340 | L | 31.9 | Very low | 33.4 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 73% | 0.728 | 82% | 0.822 | S | S | * | * | trans | -82.9 | 111.7 | 170 | -146.8 | 76.2 | 0 | 0 | 0 | 108.2 | S338 H342 | S338-L340 PolarHBondContact O-N 2.94Å; L340-H342 WeakPolarHBondContact CD2-NE2 3.38Å | ||
| 341 | N | 36.6 | Very low | 33.4 | Very low | 153 Ų | 153 | 148.7 Ų | 148.7 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -105.7 | 104.3 | 163.3 | -85.7 | -3.1 | 0 | 0 | 0 | 107.9 | ||||
| 342 | H | 33.4 | Very low | 33.7 | Very low | 162 Ų | 162 | 146.6 Ų | 146.6 | 75% | 0.75 | 82% | 0.824 | S | S | * | * | trans | -64.7 | 126.3 | 167.7 | -74.3 | -91.7 | 0 | 0 | 0 | 110.1 | L340 | L340-H342 WeakPolarHBondContact CD2-NE2 3.38Š| ||
| 343 | T | 37.3 | Very low | 33.6 | Very low | 143 Ų | 143 | 147.2 Ų | 147.2 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | trans | -149.2 | 144.8 | 146.1 | 30.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 344 | A | 35.1 | Very low | 33.7 | Very low | 102 Ų | 102 | 148.9 Ų | 148.9 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | -80 | 164.5 | -148.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 345 | A | 30.6 | Very low | 33.9 | Very low | 104 Ų | 104 | 154 Ų | 154 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | trans | -49.7 | 141.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 346 | A | 34.4 | Very low | 34.2 | Very low | 95 Ų | 95 | 153.9 Ų | 153.9 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | -142.8 | 128.8 | 154.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 347 | I | 37.3 | Very low | 34.7 | Very low | 174 Ų | 174 | 157.5 Ų | 157.5 | 89% | 0.892 | 82% | 0.819 | S | S | * | * | trans | -66.4 | 132.7 | -174.9 | -64.9 | 156.3 | 0 | 0 | 0 | 110.1 | ||||
| 348 | V | 37.1 | Very low | 34.8 | Very low | 135 Ų | 135 | 150.7 Ų | 150.7 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -83.2 | 125 | -179.7 | 178.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 349 | S | 34.9 | Very low | 34.7 | Very low | 106 Ų | 106 | 154 Ų | 154 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | trans | -121.1 | 136.9 | 160.1 | -165.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 350 | P | 37.6 | Very low | 34.8 | Very low | 101 Ų | 101 | 146.7 Ų | 146.7 | 66% | 0.656 | 80% | 0.801 | S | S | * | * | trans | -96.5 | 108.7 | -156.8 | 34.3 | -29 | 0 | 0 | 0 | 112.2 | ||||
| 351 | Y | 34.1 | Very low | 35 | Very low | 217 Ų | 217 | 147.5 Ų | 147.5 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -153.8 | 128.3 | 161.5 | -88.3 | -74.6 | 0 | 0 | 0 | 111.7 | ||||
| 352 | L | 34.9 | Very low | 34.8 | Very low | 158 Ų | 158 | 148.5 Ų | 148.5 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | trans | 64.4 | 115.4 | 165.1 | -78.2 | 93.3 | 0 | 0 | 0 | 119.1 | ||||
| 353 | Y | 34.2 | Very low | 34.9 | Very low | 201 Ų | 201 | 145 Ų | 145 | 79% | 0.788 | 81% | 0.811 | S | S | * | * | -164.4 | 118.7 | 121.6 | -136.2 | -106.2 | 0 | 0 | 0 | 113.1 | R355 | Y353-R355 HydrophobicContact CD1-CB 4.38Å; Y353-R355 HydrophobicContact CE1-CB 3.87Å | |||
| 354 | I | 32.2 | Very low | 34.8 | Very low | 174 Ų | 174 | 143 Ų | 143 | 89% | 0.892 | 80% | 0.802 | S | S | * | * | trans | -121.5 | 116 | 155.3 | -64.6 | 175.4 | 0 | 0 | 0 | 105.6 | ||||
| 355 | R | 36.7 | Very low | 34.7 | Very low | 205 Ų | 205 | 144.1 Ų | 144.1 | 77% | 0.774 | 80% | 0.799 | S | S | * | * | trans | -157.4 | 100.1 | 158.4 | -152 | 171.6 | -173.8 | 147.7 | 1.2 | 113.3 | Y353 | Y353-R355 HydrophobicContact CD1-CB 4.38Å; Y353-R355 HydrophobicContact CE1-CB 3.87Å | ||
| 356 | N | 34.3 | Very low | 34.9 | Very low | 134 Ų | 134 | 144.9 Ų | 144.9 | 72% | 0.717 | 79% | 0.793 | S | S | * | * | trans | 19.9 | 115.8 | 139 | -136.7 | 8.8 | 0 | 0 | 0 | 119.2 | ||||
| 357 | Q | 39.2 | Very low | 34.9 | Very low | 201 Ų | 201 | 148.9 Ų | 148.9 | 94% | 0.939 | 80% | 0.796 | S | S | * | * | trans | -121.1 | 101.5 | 156.4 | -78.6 | -172.9 | 23.2 | 0 | 0 | 109.5 | ||||
| 358 | T | 30.7 | Very low | 34.7 | Very low | 104 Ų | 104 | 146.6 Ų | 146.6 | 64% | 0.638 | 80% | 0.795 | S | S | * | * | trans | -97 | 143.7 | 157.5 | 49.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 359 | M | 33.4 | Very low | 34.3 | Very low | 186 Ų | 186 | 144.9 Ų | 144.9 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | trans | 122.5 | 101.8 | 161.1 | -58.2 | -116.9 | -169.1 | 0 | 0 | 113.1 | ||||
| 360 | A | 35.6 | Very low | 34.3 | Very low | 86 Ų | 86 | 147 Ų | 147 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | trans | 138.2 | 111.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 361 | N | 36.4 | Very low | 34.1 | Very low | 157 Ų | 157 | 150.7 Ų | 150.7 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | cis | -159.9 | 135.6 | 24.5 | -74 | -43.7 | 0 | 0 | 0 | 110 | ||||
| 362 | N | 31.7 | Very low | 34.2 | Very low | 173 Ų | 173 | 146.1 Ų | 146.1 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | -87 | 128.5 | 158.8 | -84.6 | -14.3 | 0 | 0 | 0 | 109.2 | ||||
| 363 | A | 34.4 | Very low | 34 | Very low | 89 Ų | 89 | 148.4 Ų | 148.4 | 74% | 0.736 | 81% | 0.812 | S | S | * | * | trans | -166.9 | 82.4 | 151.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 364 | S | 35.1 | Very low | 34 | Very low | 100 Ų | 100 | 145.1 Ų | 145.1 | 70% | 0.699 | 81% | 0.813 | S | S | * | * | 81.8 | 105.6 | 97.5 | 71.3 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 365 | T | 33.7 | Very low | 34.1 | Very low | 127 Ų | 127 | 142.9 Ų | 142.9 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | 64.8 | 133.4 | 129.9 | 60.2 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 366 | T | 35.3 | Very low | 34.2 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | cis | -165 | 134.3 | 46.8 | 37.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 367 | E | 33.8 | Very low | 34.3 | Very low | 178 Ų | 178 | 138.3 Ų | 138.3 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | 16 | 134.2 | 143.3 | -65.1 | 172.8 | 125.1 | 0 | 0 | 122.9 | ||||
| 368 | S | 33.6 | Very low | 34.5 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | -172.8 | 139.3 | 102.3 | -75.8 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 369 | A | 29 | Very low | 34.7 | Very low | 98 Ų | 98 | 139.8 Ų | 139.8 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | trans | -86.5 | 151.9 | -159.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 370 | V | 34.5 | Very low | 34.8 | Very low | 151 Ų | 151 | 134.6 Ų | 134.6 | 92% | 0.915 | 81% | 0.813 | S | S | * | * | trans | -152.9 | 130.7 | 144.1 | -174.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 371 | E | 34.3 | Very low | 34.6 | Very low | 178 Ų | 178 | 135.2 Ų | 135.2 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 147.6 | -174.5 | -172.1 | -175.5 | -178.6 | 0 | 0 | 112.9 | ||
| 372 | P | 34.7 | Very low | 34.5 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 79% | 0.786 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -102 | 135.1 | 175.1 | 35.1 | -27.2 | 0 | 0 | 0 | 114.3 | ||
| 373 | K | 31.4 | Very low | 34.7 | Very low | 206 Ų | 206 | 136 Ų | 136 | 90% | 0.896 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 140.8 | 176.2 | -76.1 | 174.2 | 175.5 | 172.6 | 0 | 113.1 | ||
| 374 | V | 33.7 | Very low | 34.7 | Very low | 133 Ų | 133 | 138.8 Ų | 138.8 | 81% | 0.806 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 139.5 | 170.5 | 175.8 | 0 | 0 | 0 | 0 | 110.7 | V376 | V374-V376 HydrophobicContact CG1-CG2 4.48Š|
| 375 | V | 35.4 | Very low | 34.7 | Very low | 126 Ų | 126 | 141.5 Ų | 141.5 | 76% | 0.764 | 82% | 0.817 | S | S | * | * | trans | -117.2 | 130.3 | 172 | 177.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 376 | V | 38.5 | Very low | 34.7 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | -111 | 130.6 | 175.6 | 177.2 | 0 | 0 | 0 | 0 | 108.1 | V374 | V374-V376 HydrophobicContact CG1-CG2 4.48Š| ||
| 377 | C | 34.8 | Very low | 35 | Very low | 123 Ų | 123 | 143.6 Ų | 143.6 | 83% | 0.831 | 82% | 0.824 | S | S | * | * | trans | -114.5 | 127.8 | 172.8 | -71.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 378 | S | 43.7 | Very low | 35.3 | Very low | 115 Ų | 115 | 144.3 Ų | 144.3 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | -107.5 | 142.7 | 177.7 | -56 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 379 | K | 35.9 | Very low | 35.3 | Very low | 222 Ų | 222 | 142 Ų | 142 | 97% | 0.965 | 83% | 0.825 | S | S | * | * | trans | -85.4 | 127.8 | -176.4 | -154.5 | 175.8 | -173.3 | 177.9 | 0 | 110.8 | ||||
| 380 | G | 35.3 | Very low | 35.9 | Very low | 76 Ų | 76 | 143.8 Ų | 143.8 | 78% | 0.784 | 83% | 0.825 | S | S | * | * | trans | -115.5 | 132.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 381 | A | 31.2 | Very low | 35.9 | Very low | 100 Ų | 100 | 145.6 Ų | 145.6 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | trans | -91.2 | 140.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 382 | M | 35 | Very low | 35.9 | Very low | 179 Ų | 179 | 141.7 Ų | 141.7 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | trans | -174.3 | 143.1 | 136.9 | -108.3 | -85.1 | 138.2 | 0 | 0 | 111.9 | ||||
| 383 | H | 35 | Very low | 35.8 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | trans | -46.3 | 140.9 | -176.7 | -94.9 | -115.6 | 0 | 0 | 0 | 116.3 | ||||
| 384 | N | 35.1 | Very low | 35.9 | Very low | 148 Ų | 148 | 141.7 Ų | 141.7 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | -168.2 | 151.2 | 100.7 | -151 | 3.5 | 0 | 0 | 0 | 111.6 | |||||
| 385 | E | 34.2 | Very low | 36 | Very low | 158 Ų | 158 | 143.3 Ų | 143.3 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | trans | -58.9 | 155.5 | -173.2 | -81.3 | 168 | 94.1 | 0 | 0 | 115.8 | ||||
| 386 | N | 33.8 | Very low | 36 | Very low | 143 Ų | 143 | 145.9 Ų | 145.9 | 77% | 0.765 | 82% | 0.815 | S | S | * | * | trans | 67.3 | 78 | 164 | -67.2 | -8.4 | 0 | 0 | 0 | 117 | ||||
| 387 | T | 42.5 | Very low | 35.7 | Very low | 147 Ų | 147 | 149 Ų | 149 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | trans | -175 | 135.5 | 137.2 | 15.1 | 0 | 0 | 0 | 0 | 110.2 | G389 | T387-G389 PolarHBondContact O-N 3.36Š| ||
| 388 | E | 39.6 | Very low | 35.7 | Very low | 193 Ų | 193 | 148 Ų | 148 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | trans | -57 | 115.5 | -179.7 | -61.5 | -178.5 | 146.4 | 0 | 0 | 111.2 | V390 | E388-V390 PolarHBondContact O-N 3.1Å; E388-V390 VanDerWaalsContact O-N 3.1Å | ||
| 389 | G | 32.9 | Very low | 35.5 | Very low | 80 Ų | 80 | 147.5 Ų | 147.5 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | -75.6 | 95.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T387 M391 | T387-G389 PolarHBondContact O-N 3.36Å; G389-M391 PolarHBondContact O-N 3.22Å | ||
| 390 | V | 42.1 | Very low | 36 | Very low | 135 Ų | 135 | 143 Ų | 143 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -71 | 113 | 162.8 | 177.1 | 0 | 0 | 0 | 0 | 108.9 | E388 S392 | E388-V390 PolarHBondContact O-N 3.1Å; E388-V390 VanDerWaalsContact O-N 3.1Å; V390-S392 PolarHBondContact O-N 3.1Å | ||
| 391 | M | 35.7 | Very low | 35.9 | Very low | 188 Ų | 188 | 145.3 Ų | 145.3 | 93% | 0.926 | 81% | 0.808 | S | S | * | * | trans | -82 | 93.9 | 174.8 | -134.5 | 132.1 | 170.9 | 0 | 0 | 109.5 | G389 | G389-M391 PolarHBondContact O-N 3.22Š| ||
| 392 | S | 33.4 | Very low | 36.3 | Very low | 96 Ų | 96 | 148.7 Ų | 148.7 | 67% | 0.671 | 81% | 0.811 | S | S | * | * | trans | -91.3 | 107 | 170.4 | -172.6 | 0 | 0 | 0 | 0 | 109.7 | V390 R394 | V390-S392 PolarHBondContact O-N 3.1Å; S392-R394 PolarHBondContact O-N 3.15Å | ||
| 393 | C | 32.8 | Very low | 36.6 | Very low | 114 Ų | 114 | 145.1 Ų | 145.1 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | -89.4 | 98.6 | 166.1 | -68.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 394 | R | 34.3 | Very low | 36.7 | Very low | 214 Ų | 214 | 142.6 Ų | 142.6 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | trans | -73.7 | 122.2 | 169.3 | -89.1 | -179.9 | 172.6 | 164.7 | -1.4 | 110.1 | S392 H396 | S392-R394 PolarHBondContact O-N 3.15Å; R394-H396 PolarHBondContact O-N 3.07Å | ||
| 395 | H | 35 | Very low | 36.8 | Very low | 166 Ų | 166 | 140.3 Ų | 140.3 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -72.2 | 112.4 | 162.7 | -80.5 | -95.1 | 0 | 0 | 0 | 109.4 | F397 | H395-F397 HydrophobicContact CB-CD2 4.28Å; H395-F397 HydrophobicContact CB-CE2 4.16Å; H395-F397 PolarHBondContact O-N 3.17Å | ||
| 396 | H | 34.8 | Very low | 37 | Very low | 181 Ų | 181 | 140.2 Ų | 140.2 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | -80.1 | 97.8 | 164.9 | -85.5 | -87.2 | 0 | 0 | 0 | 109 | R394 | R394-H396 PolarHBondContact O-N 3.07Š| ||
| 397 | F | 33.4 | Very low | 37.2 | Very low | 184 Ų | 184 | 139.2 Ų | 139.2 | 81% | 0.807 | 80% | 0.8 | S | S | * | * | trans | -79.4 | 114 | 158.7 | -78.3 | -83.5 | 0 | 0 | 0 | 108.2 | H395 S399 | H395-F397 HydrophobicContact CB-CD2 4.28Å; H395-F397 HydrophobicContact CB-CE2 4.16Å; H395-F397 PolarHBondContact O-N 3.17Å; F397-S399 PolarHBondContact O-N 2.67Å | ||
| 398 | A | 35.2 | Very low | 36.8 | Very low | 104 Ų | 104 | 137 Ų | 137 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -81.4 | 110.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 399 | S | 38.7 | Very low | 36.8 | Very low | 103 Ų | 103 | 135.4 Ų | 135.4 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 137.7 | 159.9 | -61.2 | 0 | 0 | 0 | 0 | 108.8 | F397 V401 | F397-S399 PolarHBondContact O-N 2.67Å; S399-V401 PolarHBondContact O-N 3.21Å |
| 400 | P | 45.2 | Very low | 37 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 123.8 | 170.5 | 29.6 | -28.4 | 0 | 0 | 0 | 110 | ||
| 401 | V | 35.2 | Very low | 36.6 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 125 | 171 | 172.9 | 0 | 0 | 0 | 0 | 109.1 | S399 | S399-V401 PolarHBondContact O-N 3.21Š|
| 402 | L | 39.3 | Very low | 36.5 | Very low | 171 Ų | 171 | 132.8 Ų | 132.8 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | trans | -143.6 | 104.5 | 147.5 | -98.2 | 122.1 | 0 | 0 | 0 | 109.8 | ||||
| 403 | S | 40 | Very low | 36.8 | Very low | 104 Ų | 104 | 132.1 Ų | 132.1 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -1.3 | 158.6 | 162.7 | -54.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 404 | P | 38.7 | Very low | 37 | Very low | 113 Ų | 113 | 134 Ų | 134 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | -106.4 | 164.3 | -153.4 | 38.3 | -27.4 | 0 | 0 | 0 | 113.9 | ||||
| 405 | S | 36.8 | Very low | 37 | Very low | 101 Ų | 101 | 133.3 Ų | 133.3 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | 150.6 | 138.6 | 121 | -67.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 406 | I | 37.2 | Very low | 37.1 | Very low | 155 Ų | 155 | 129.4 Ų | 129.4 | 80% | 0.795 | 76% | 0.762 | S | S | * | * | trans | 96.7 | 98.4 | 150.6 | -59.9 | 144.9 | 0 | 0 | 0 | 118.9 | ||||
| 407 | V | 38.1 | Very low | 37.2 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 74% | 0.739 | 76% | 0.76 | S | S | * | * | 57.1 | 105.7 | 124.5 | -173.8 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 408 | S | 34.2 | Very low | 37.4 | Very low | 100 Ų | 100 | 126.8 Ų | 126.8 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | 61.8 | 140.1 | 125.2 | -47 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 409 | H | 38.9 | Very low | 37.4 | Very low | 161 Ų | 161 | 128.3 Ų | 128.3 | 75% | 0.745 | 75% | 0.754 | S | S | * | * | trans | 96.7 | 110.3 | 149.1 | -81.3 | -75.9 | 0 | 0 | 0 | 120.3 | ||||
| 410 | D | 37.6 | Very low | 37.2 | Very low | 150 Ų | 150 | 134.4 Ų | 134.4 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | trans | 62.3 | 135 | 132.2 | -68.5 | -27.6 | 0 | 0 | 0 | 122.3 | ||||
| 411 | G | 34.4 | Very low | 36.8 | Very low | 74 Ų | 74 | 132.5 Ų | 132.5 | 76% | 0.763 | 76% | 0.756 | S | S | * | * | trans | 126.1 | 83.9 | 138.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 412 | S | 33.9 | Very low | 36.8 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 87% | 0.867 | 76% | 0.76 | S | S | * | * | trans | 15.6 | 138 | 139.3 | -153.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 413 | A | 38.2 | Very low | 37.1 | Very low | 81 Ų | 81 | 129.7 Ų | 129.7 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | 124.4 | 118.8 | 120 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 414 | E | 37.9 | Very low | 36.9 | Very low | 153 Ų | 153 | 129.3 Ų | 129.3 | 72% | 0.715 | 76% | 0.757 | S | S | * | * | trans | 71.8 | 119.2 | 132.4 | -121.7 | -176.8 | 122.7 | 0 | 0 | 120.6 | ||||
| 415 | R | 34.5 | Very low | 36.6 | Very low | 201 Ų | 201 | 131.6 Ų | 131.6 | 76% | 0.758 | 76% | 0.763 | S | S | * | * | 138.3 | 128.6 | 93.6 | -160.1 | 165.1 | -173.1 | 144.8 | -8.9 | 115.8 | |||||
| 416 | S | 36.3 | Very low | 36.9 | Very low | 83 Ų | 83 | 132.7 Ų | 132.7 | 58% | 0.58 | 77% | 0.771 | S | S | * | * | trans | 52.6 | 117.4 | 144.6 | -62.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 417 | Q | 38 | Very low | 36.7 | Very low | 169 Ų | 169 | 131.6 Ų | 131.6 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | 59.8 | 121 | 85.5 | -70.3 | -173.7 | -2 | 0 | 0 | 115.1 | |||||
| 418 | V | 37.7 | Very low | 36.4 | Very low | 141 Ų | 141 | 132.3 Ų | 132.3 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | trans | -153.3 | 141.5 | 135.8 | 177.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 419 | I | 34 | Very low | 36.3 | Very low | 136 Ų | 136 | 132.7 Ų | 132.7 | 70% | 0.697 | 78% | 0.783 | S | S | * | * | trans | -90.9 | 152.2 | -174.3 | -64.2 | 156.4 | 0 | 0 | 0 | 112.9 | ||||
| 420 | R | 35 | Very low | 36.1 | Very low | 232 Ų | 232 | 130.7 Ų | 130.7 | 88% | 0.875 | 79% | 0.787 | S | S | * | * | trans | 173.4 | 116.3 | 137.5 | -103 | 174.8 | -102.6 | -172.1 | -7.3 | 109.3 | ||||
| 421 | A | 36 | Very low | 36.1 | Very low | 87 Ų | 87 | 128.5 Ų | 128.5 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | 87.1 | 120.2 | 58.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 422 | S | 35.2 | Very low | 36 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | 95.3 | 161.5 | 136.8 | -108 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 423 | P | 45.8 | Very low | 36.1 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | -136 | -177.2 | -115.4 | 33.6 | -8.5 | 0 | 0 | 0 | 115.2 | |||||
| 424 | A | 36.9 | Very low | 35.8 | Very low | 95 Ų | 95 | 140.7 Ų | 140.7 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -176.2 | 115.9 | 155.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 425 | N | 33 | Very low | 35.9 | Very low | 161 Ų | 161 | 140.3 Ų | 140.3 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | 63.7 | 114.5 | 104.3 | -93 | -3.2 | 0 | 0 | 0 | 118.8 | |||||
| 426 | S | 42.8 | Very low | 36 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | -178.3 | 142.3 | 109.2 | 49.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 427 | T | 32.5 | Very low | 36.5 | Very low | 132 Ų | 132 | 142.3 Ų | 142.3 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | -96.7 | 152.1 | -171.6 | 43.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 428 | C | 31.5 | Very low | 36.6 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 93% | 0.932 | 81% | 0.81 | S | S | * | * | trans | -151.5 | 119 | 145.5 | -130.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 429 | S | 31.4 | Very low | 36.8 | Very low | 108 Ų | 108 | 142.8 Ų | 142.8 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | -89.5 | 152.9 | 178 | -83.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 430 | S | 36.6 | Very low | 37 | Very low | 118 Ų | 118 | 144.8 Ų | 144.8 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | -154.8 | 94.1 | 143.5 | -82.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 431 | S | 35.9 | Very low | 37 | Very low | 105 Ų | 105 | 142.6 Ų | 142.6 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | 13.9 | 140.3 | 120.3 | -62.1 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 432 | R | 33.8 | Very low | 37.4 | Very low | 222 Ų | 222 | 145.4 Ų | 145.4 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | cis | -178.1 | 159.4 | 31.5 | -105.4 | 167.4 | -173.7 | -122.3 | 4.9 | 103.4 | ||||
| 433 | L | 34.7 | Very low | 38 | Very low | 125 Ų | 125 | 145.1 Ų | 145.1 | 65% | 0.654 | 81% | 0.812 | S | S | * | * | cis | -169.9 | 133.8 | 39 | -153.6 | 92.9 | 0 | 0 | 0 | 106.8 | I435 | L433-I435 HydrophobicContact CD2-CD1 4.35Å; L433-I435 HydrophobicContact CD2-CG1 4.24Å | ||
| 434 | M | 31.5 | Very low | 38 | Very low | 188 Ų | 188 | 145.9 Ų | 145.9 | 93% | 0.926 | 81% | 0.809 | S | S | * | * | trans | -82.1 | 135.5 | 169.9 | -68.7 | -154.7 | 177 | 0 | 0 | 110.8 | ||||
| 435 | I | 41.7 | Very low | 38.9 | Very low | 145 Ų | 145 | 147.6 Ų | 147.6 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | trans | -128.7 | 109.3 | 164.5 | -59.8 | 178.3 | 0 | 0 | 0 | 108.3 | L433 | L433-I435 HydrophobicContact CD2-CD1 4.35Å; L433-I435 HydrophobicContact CD2-CG1 4.24Å | ||
| 436 | K | 35.6 | Very low | 39.9 | Very low | 199 Ų | 199 | 148.6 Ų | 148.6 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 136.3 | 166.8 | -80.6 | 174.9 | 172.3 | 173.6 | 0 | 110.4 | ||
| 437 | P | 46.1 | Very low | 40.3 | Very low | 127 Ų | 127 | 150.3 Ų | 150.3 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 139.6 | 153.5 | -2.7 | 22 | 0 | 0 | 0 | 111.2 | ||
| 438 | K | 41.4 | Very low | 41.1 | Very low | 193 Ų | 193 | 149.7 Ų | 149.7 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 158.9 | -176.4 | -71.8 | 166 | 177.8 | 170.4 | 0 | 113 | ||
| 439 | P | 40.6 | Very low | 42.1 | Very low | 127 Ų | 127 | 149.1 Ų | 149.1 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 127.6 | 178.7 | 31.3 | -32.9 | 0 | 0 | 0 | 111 | ||
| 440 | L | 39.5 | Very low | 43.1 | Very low | 177 Ų | 177 | 151.6 Ų | 151.6 | 93% | 0.927 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 116 | 169 | -85.6 | 151.4 | 0 | 0 | 0 | 109.1 | ||
| 441 | K | 34.9 | Very low | 43.7 | Very low | 186 Ų | 186 | 152.5 Ų | 152.5 | 81% | 0.809 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 132.7 | 166.4 | -67.4 | -174.2 | 175.3 | 179.4 | 0 | 109 | ||
| 442 | L | 44.2 | Very low | 44.4 | Very low | 147 Ų | 147 | 154.1 Ų | 154.1 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | -162.3 | 80.8 | 162.4 | -132.8 | 69.2 | 0 | 0 | 0 | 108 | ||||
| 443 | T | 48.4 | Very low | 45.2 | Very low | 113 Ų | 113 | 150 Ų | 150 | 69% | 0.693 | 76% | 0.757 | S | S | * | * | 22.6 | 100.7 | 95.8 | 62.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 444 | N | 44.7 | Very low | 45.8 | Very low | 133 Ų | 133 | 151.8 Ų | 151.8 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 163.1 | -3.1 | 156.5 | -83.5 | -7.7 | 0 | 0 | 0 | 112.6 | ||
| 445 | I | 55.5 | Low | 46.3 | Very low | 131 Ų | 131 | 152.3 Ų | 152.3 | 67% | 0.672 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -103 | -25.5 | 179.8 | -55.9 | 175.2 | 0 | 0 | 0 | 112.2 | F447 | I445-F447 VanDerWaalsContact C-N 3.34Å; I445-F447 PolarHBondContact O-N 3.17Å |
| 446 | E | 54.4 | Low | 46.3 | Very low | 183 Ų | 183 | 149.9 Ų | 149.9 | 86% | 0.855 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -14.6 | 176.9 | -84.8 | -165.4 | 140.9 | 0 | 0 | 115.1 | ||
| 447 | F | 51.9 | Low | 46.4 | Very low | 159 Ų | 159 | 145.6 Ų | 145.6 | 70% | 0.697 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -23.5 | 177.3 | -169.8 | -104.2 | 0 | 0 | 0 | 112.8 | I445 | I445-F447 VanDerWaalsContact C-N 3.34Å; I445-F447 PolarHBondContact O-N 3.17Å |
| 448 | L | 49.3 | Very low | 46.2 | Very low | 120 Ų | 120 | 147.2 Ų | 147.2 | 63% | 0.628 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -23.3 | -178.2 | -68.5 | 175.3 | 0 | 0 | 0 | 113.2 | K450 | L448-K450 VanDerWaalsContact C-N 3.35Š|
| 449 | L | 51.3 | Low | 46.2 | Very low | 126 Ų | 126 | 147.7 Ų | 147.7 | 66% | 0.66 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -10 | 176.9 | -79 | 163.9 | 0 | 0 | 0 | 114.1 | ||
| 450 | K | 52.5 | Low | 45.9 | Very low | 160 Ų | 160 | 146.2 Ų | 146.2 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -4.9 | 178 | -143.5 | 172.3 | -175.6 | 177.6 | 0 | 114.3 | L448 | L448-K450 VanDerWaalsContact C-N 3.35Š|
| 451 | Q | 50.2 | Low | 45.9 | Very low | 137 Ų | 137 | 144 Ų | 144 | 64% | 0.64 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -97.4 | -14.9 | 178.8 | -70.6 | -72 | -50.5 | 0 | 0 | 113.1 | ||
| 452 | L | 50.1 | Low | 45.9 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 73% | 0.728 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -94.8 | -13.5 | -178.5 | -70.2 | 168.9 | 0 | 0 | 0 | 113.6 | ||
| 453 | D | 49.5 | Very low | 45.6 | Very low | 136 Ų | 136 | 143 Ų | 143 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -5.2 | -178 | -138.9 | 17.1 | 0 | 0 | 0 | 113.8 | ||
| 454 | H | 48.2 | Very low | 44.9 | Very low | 161 Ų | 161 | 145 Ų | 145 | 75% | 0.745 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 9.7 | -175.7 | -84.4 | -68.8 | 0 | 0 | 0 | 115.2 | ||
| 455 | K | 42.8 | Very low | 44.4 | Very low | 200 Ų | 200 | 142.5 Ų | 142.5 | 87% | 0.87 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -118.6 | 7.3 | -176.8 | -148.1 | -176.1 | 177.9 | -168.8 | 0 | 115.5 | ||
| 456 | A | 40.9 | Very low | 43.2 | Very low | 93 Ų | 93 | 141.1 Ų | 141.1 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -114.1 | 12.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 457 | T | 38.2 | Very low | 42.3 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | trans | -121.4 | 95.5 | 176.9 | 57.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 458 | N | 40.9 | Very low | 41.4 | Very low | 162 Ų | 162 | 137 Ų | 137 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | trans | 179.3 | 139.5 | 150 | -83.9 | -27.5 | 0 | 0 | 0 | 108.6 | ||||
| 459 | E | 42 | Very low | 40.9 | Very low | 203 Ų | 203 | 137 Ų | 137 | 95% | 0.949 | 77% | 0.771 | S | S | * | * | trans | 85.7 | 66.1 | 178 | -54.5 | -160.1 | 138.7 | 0 | 0 | 117.6 | ||||
| 460 | A | 34.7 | Very low | 39.8 | Very low | 96 Ų | 96 | 134.6 Ų | 134.6 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | trans | -123.3 | 105.8 | 145.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 461 | S | 38.6 | Very low | 38.9 | Very low | 129 Ų | 129 | 133.2 Ų | 133.2 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | 168.3 | 128.6 | 148.1 | -85.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 462 | K | 36 | Very low | 38 | Very low | 196 Ų | 196 | 132 Ų | 132 | 85% | 0.852 | 79% | 0.794 | S | S | * | * | trans | 134.5 | 90.2 | 148.3 | -156.5 | 173.3 | -170.2 | -172 | 0 | 111.1 | ||||
| 463 | V | 36.7 | Very low | 37.2 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 70% | 0.703 | 80% | 0.802 | S | S | * | * | 81.2 | 106.7 | 73.8 | 172.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 464 | I | 33.8 | Very low | 36.2 | Very low | 157 Ų | 157 | 132.2 Ų | 132.2 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | trans | 92.2 | 136.3 | 138 | -65.6 | 170.8 | 0 | 0 | 0 | 122.4 | ||||
| 465 | A | 33.9 | Very low | 35.3 | Very low | 80 Ų | 80 | 133.1 Ų | 133.1 | 66% | 0.661 | 82% | 0.815 | S | S | * | * | trans | 84.5 | 99.3 | 152.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 466 | S | 31.8 | Very low | 34.7 | Very low | 102 Ų | 102 | 127.4 Ų | 127.4 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | 77.7 | 110.7 | 77.1 | 69.2 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 467 | T | 35.3 | Very low | 34.4 | Very low | 143 Ų | 143 | 130.8 Ų | 130.8 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | 161.6 | 123.5 | 125.2 | 37.5 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 468 | S | 32.4 | Very low | 34.4 | Very low | 111 Ų | 111 | 130 Ų | 130 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -85.8 | -171 | 160.4 | 60.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 469 | P | 38.4 | Very low | 34 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | cis | -144.7 | 179.9 | 5.1 | 38.5 | -16.6 | 0 | 0 | 0 | 116.8 | ||||
| 470 | G | 29.4 | Very low | 33.9 | Very low | 77 Ų | 77 | 127.5 Ų | 127.5 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | 95.2 | 114.8 | 131.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 471 | S | 34.2 | Very low | 34.2 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | 158.7 | 137.4 | 112.8 | -169.9 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 472 | S | 29.6 | Very low | 34.1 | Very low | 112 Ų | 112 | 127.3 Ų | 127.3 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | -81.1 | 159.6 | -169.7 | -45.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 473 | A | 34.5 | Very low | 33.9 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | trans | -150.5 | 111 | 146.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 474 | E | 28.6 | Very low | 33.8 | Very low | 171 Ų | 171 | 127.5 Ų | 127.5 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | -75.6 | 147.9 | 166.9 | -85.4 | 172.1 | 74.4 | 0 | 0 | 111.1 | ||||
| 475 | L | 29 | Very low | 33.8 | Very low | 181 Ų | 181 | 126.9 Ų | 126.9 | 95% | 0.948 | 78% | 0.784 | S | S | * | * | trans | -147.5 | 125.8 | 149.9 | -155.7 | 76 | 0 | 0 | 0 | 108.8 | ||||
| 476 | S | 29.6 | Very low | 34 | Very low | 80 Ų | 80 | 130.8 Ų | 130.8 | 56% | 0.559 | 79% | 0.793 | S | S | * | * | trans | -115.6 | 161.9 | -167.8 | -60.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 477 | L | 35.8 | Very low | 34.1 | Very low | 163 Ų | 163 | 128.2 Ų | 128.2 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | 92.5 | 154.2 | 154 | -66.4 | 129.2 | 0 | 0 | 0 | 119.7 | ||||
| 478 | P | 38.3 | Very low | 34.2 | Very low | 92 Ų | 92 | 128.4 Ų | 128.4 | 60% | 0.597 | 78% | 0.779 | S | S | * | * | -146 | -175.4 | -61 | 41.5 | -21.1 | 0 | 0 | 0 | 114.3 | |||||
| 479 | D | 32.8 | Very low | 34.3 | Very low | 145 Ų | 145 | 133.2 Ų | 133.2 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | 60 | 124.1 | 150.7 | -59.8 | -42.2 | 0 | 0 | 0 | 122.5 | ||||
| 480 | E | 39.6 | Very low | 34.1 | Very low | 169 Ų | 169 | 136.5 Ų | 136.5 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | 174.5 | 130.5 | 119.9 | -80.2 | -119.4 | 108.9 | 0 | 0 | 111.5 | |||||
| 481 | D | 41 | Very low | 34.3 | Very low | 146 Ų | 146 | 138.9 Ų | 138.9 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | trans | 71.1 | 128.5 | 151 | -59.8 | -40.3 | 0 | 0 | 0 | 124.5 | ||||
| 482 | G | 35.6 | Very low | 34.3 | Very low | 75 Ų | 75 | 138.1 Ų | 138.1 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | 131.2 | 69.5 | 139.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 483 | Q | 32.5 | Very low | 34.7 | Very low | 185 Ų | 185 | 140.3 Ų | 140.3 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -61.7 | 127.2 | 174.8 | -171.8 | 168.5 | 19.4 | 0 | 0 | 113.2 | ||||
| 484 | V | 34.6 | Very low | 34.8 | Very low | 131 Ų | 131 | 138.1 Ų | 138.1 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | -113 | 134 | 161.9 | 177.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 485 | I | 33.4 | Very low | 35.3 | Very low | 144 Ų | 144 | 139 Ų | 139 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | -95.9 | 110.8 | -169.1 | -38.8 | 166.8 | 0 | 0 | 0 | 107.3 | ||||
| 486 | D | 38.4 | Very low | 35.7 | Very low | 161 Ų | 161 | 134.7 Ų | 134.7 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | trans | -108.7 | 104.6 | 166 | -88.8 | -29 | 0 | 0 | 0 | 109.2 | ||||
| 487 | G | 34.4 | Very low | 35.9 | Very low | 48 Ų | 48 | 136.4 Ų | 136.4 | 50% | 0.495 | 77% | 0.771 | S | S | . | * | trans | -82.6 | 118.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 488 | N | 36.9 | Very low | 35.9 | Very low | 148 Ų | 148 | 136 Ų | 136 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | -109.3 | 87.9 | 156.7 | -79.3 | -7.8 | 0 | 0 | 0 | 108.3 | ||||
| 489 | Y | 34 | Very low | 35.8 | Very low | 211 Ų | 211 | 135.9 Ų | 135.9 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | -84.7 | 111.8 | 170.3 | -66.9 | -86 | 0 | 0 | 0 | 109.2 | ||||
| 490 | F | 34.7 | Very low | 36.1 | Very low | 190 Ų | 190 | 135.2 Ų | 135.2 | 83% | 0.833 | 77% | 0.768 | S | S | * | * | trans | -92.9 | 113.6 | 164.1 | -80.6 | -91 | 0 | 0 | 0 | 108.7 | ||||
| 491 | V | 32.5 | Very low | 35.8 | Very low | 127 Ų | 127 | 136 Ų | 136 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | -95.1 | 106.8 | 169.8 | 176.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 492 | S | 35 | Very low | 35.7 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | -85.7 | 116.9 | 165.4 | -79.5 | 0 | 0 | 0 | 0 | 108.9 | G494 | S492-G494 PolarHBondContact O-N 2.89Å; S492-G494 VanDerWaalsContact O-N 3.08Å | ||
| 493 | I | 38.2 | Very low | 35.8 | Very low | 158 Ų | 158 | 142 Ų | 142 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -77.4 | 90.8 | 170.4 | -56.9 | 174.5 | 0 | 0 | 0 | 106.9 | ||||
| 494 | G | 35.8 | Very low | 36 | Very low | 63 Ų | 63 | 140.5 Ų | 140.5 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 134.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | S492 A496 | S492-G494 PolarHBondContact O-N 2.89Å; S492-G494 VanDerWaalsContact O-N 3.08Å; G494-A496 PolarHBondContact O-N 3.42Å |
| 495 | H | 39.8 | Very low | 35.8 | Very low | 190 Ų | 190 | 139.2 Ų | 139.2 | 88% | 0.88 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 123.2 | 171.7 | -92.2 | -122 | 0 | 0 | 0 | 109.9 | C497 | H495-C497 PolarHBondContact O-N 3.11Š|
| 496 | A | 37.2 | Very low | 36 | Very low | 89 Ų | 89 | 140.2 Ų | 140.2 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 131.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | G494 Q498 | G494-A496 PolarHBondContact O-N 3.42Å; A496-Q498 PolarHBondContact O-N 2.98Å |
| 497 | C | 32.7 | Very low | 35.8 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | trans | -58.8 | 102 | 166.2 | -67.4 | 0 | 0 | 0 | 0 | 108.8 | H495 A499 | H495-C497 PolarHBondContact O-N 3.11Å; C497-A499 VanDerWaalsContact C-N 3.32Å; C497-A499 PolarHBondContact O-N 3.48Å; C497-A499 VanDerWaalsContact O-N 3.1Å | ||
| 498 | Q | 37 | Very low | 35.7 | Very low | 156 Ų | 156 | 141.3 Ų | 141.3 | 73% | 0.729 | 78% | 0.783 | S | S | * | * | trans | -77.6 | 88.9 | 165.3 | -168.9 | 102.1 | 18.2 | 0 | 0 | 107.2 | A496 D500 | A496-Q498 PolarHBondContact O-N 2.98Å; Q498-D500 VanDerWaalsContact C-N 3.31Å; Q498-D500 PolarHBondContact NE2-OD1 3.44Å; Q498-D500 PolarHBondContact O-N 3.13Å | ||
| 499 | A | 36.6 | Very low | 35.6 | Very low | 89 Ų | 89 | 141.1 Ų | 141.1 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | -76.2 | 88.8 | 160.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | C497 K501 | C497-A499 VanDerWaalsContact C-N 3.32Å; C497-A499 PolarHBondContact O-N 3.48Å; C497-A499 VanDerWaalsContact O-N 3.1Å; A499-K501 VanDerWaalsContact C-N 3.29Å; A499-K501 PolarHBondContact O-N 2.68Å | ||
| 500 | D | 38.7 | Very low | 35.5 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | -70.3 | 93.6 | 165 | -83.9 | -21 | 0 | 0 | 0 | 107.9 | Q498 Q502 | Q498-D500 VanDerWaalsContact C-N 3.31Å; Q498-D500 PolarHBondContact NE2-OD1 3.44Å; Q498-D500 PolarHBondContact O-N 3.13Å; D500-Q502 VanDerWaalsContact C-N 3.34Å; D500-Q502 PolarHBondContact O-N 3.49Å; D500-Q502 VanDerWaalsContact O-N 3.07Å | ||
| 501 | K | 33.5 | Very low | 35.6 | Very low | 184 Ų | 184 | 136.7 Ų | 136.7 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | trans | -73.4 | 88.9 | 170 | -162.8 | -178.1 | -171.6 | -172.9 | 0 | 107.6 | A499 E503 | A499-K501 VanDerWaalsContact C-N 3.29Å; A499-K501 PolarHBondContact O-N 2.68Å; K501-E503 PolarHBondContact O-N 3.18Å | ||
| 502 | Q | 39.2 | Very low | 35.7 | Very low | 184 Ų | 184 | 139 Ų | 139 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -79.9 | 98.4 | 165.7 | -154.9 | 150 | 8.7 | 0 | 0 | 107.4 | D500 N504 | D500-Q502 VanDerWaalsContact C-N 3.34Å; D500-Q502 PolarHBondContact O-N 3.49Å; D500-Q502 VanDerWaalsContact O-N 3.07Å; Q502-N504 PolarHBondContact O-N 3.39Å | ||
| 503 | E | 36.6 | Very low | 36 | Very low | 163 Ų | 163 | 139 Ų | 139 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | -56.4 | 102.7 | 167 | -77.9 | -177.2 | 142.4 | 0 | 0 | 108.7 | K501 | K501-E503 PolarHBondContact O-N 3.18Š| ||
| 504 | N | 37.3 | Very low | 36 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | -119.3 | 102.4 | 153.3 | -156.4 | 17 | 0 | 0 | 0 | 106.8 | Q502 N506 | Q502-N504 PolarHBondContact O-N 3.39Å; N504-N506 PolarHBondContact O-N 3.13Å; N504-N506 VanDerWaalsContact O-N 3.08Å | ||
| 505 | C | 30.3 | Very low | 35.8 | Very low | 105 Ų | 105 | 139.8 Ų | 139.8 | 71% | 0.709 | 79% | 0.79 | S | S | * | * | trans | -57.9 | 108.4 | 173.7 | -67.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 506 | N | 37.6 | Very low | 35.7 | Very low | 165 Ų | 165 | 136 Ų | 136 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | trans | -177.9 | 113.5 | 141.4 | -91.3 | -23.8 | 0 | 0 | 0 | 110.8 | N504 | N504-N506 PolarHBondContact O-N 3.13Å; N504-N506 VanDerWaalsContact O-N 3.08Å | ||
| 507 | G | 33.4 | Very low | 35.6 | Very low | 68 Ų | 68 | 135.7 Ų | 135.7 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | trans | 83.3 | 98.7 | 145.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 508 | N | 32.5 | Very low | 35.7 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | trans | 70.1 | 128.2 | 141.4 | -67.8 | -8.7 | 0 | 0 | 0 | 121.1 | ||||
| 509 | V | 34.4 | Very low | 36 | Very low | 145 Ų | 145 | 134 Ų | 134 | 88% | 0.879 | 76% | 0.755 | S | S | * | * | trans | 102.8 | 112.7 | 153.1 | -164.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 510 | S | 31.5 | Very low | 36.3 | Very low | 112 Ų | 112 | 137 Ų | 137 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | trans | -60.4 | 138.1 | 178.1 | -37.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 511 | Q | 37.4 | Very low | 36.8 | Very low | 195 Ų | 195 | 138 Ų | 138 | 91% | 0.911 | 77% | 0.765 | S | S | * | * | trans | -160.6 | 123 | 134.1 | -133.6 | 167.1 | -0.3 | 0 | 0 | 111.2 | ||||
| 512 | E | 36 | Very low | 37.3 | Very low | 176 Ų | 176 | 137.1 Ų | 137.1 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | trans | -80.8 | 127.2 | 178.9 | -164.4 | 169.1 | -170.2 | 0 | 0 | 108.4 | ||||
| 513 | S | 39.9 | Very low | 37.4 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | trans | -127 | 93.8 | 174.8 | 44.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 514 | D | 38 | Very low | 37.7 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 63% | 0.631 | 73% | 0.733 | S | S | * | * | trans | -62.1 | 127.8 | 171.5 | -73.5 | -40.3 | 0 | 0 | 0 | 111.7 | F516 | D514-F516 HydrophobicContact CB-CD2 4.23Å; D514-F516 HydrophobicContact CB-CE2 3.79Å; D514-F516 HydrophobicContact CB-CZ 4.46Å; D514-F516 PolarHBondContact O-N 3.06Å | ||
| 515 | C | 32.7 | Very low | 38.1 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 80% | 0.797 | 72% | 0.719 | S | S | * | * | trans | -85.3 | 102.8 | 171.3 | -71.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 516 | F | 36.4 | Very low | 38.6 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 49% | 0.491 | 74% | 0.735 | S | S | . | * | P | Polyproline II helix | trans | -84 | 121.9 | 171.9 | -74.6 | -86.3 | 0 | 0 | 0 | 111.1 | D514 P523 T525 | D514-F516 HydrophobicContact CB-CD2 4.23Å; D514-F516 HydrophobicContact CB-CE2 3.79Å; D514-F516 HydrophobicContact CB-CZ 4.46Å; D514-F516 PolarHBondContact O-N 3.06Å; F516-P523 HydrophobicContact CD1-CB 3.97Å; F516-P523 HydrophobicContact CE1-CB 3.99Å; F516-T525 HydrophobicContact CE1-CG2 4.39Å |
| 517 | A | 35.9 | Very low | 39.7 | Very low | 81 Ų | 81 | 129.1 Ų | 129.1 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 125.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 518 | H | 34.5 | Very low | 40.2 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 63% | 0.634 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 120 | 177.2 | -95.8 | -88.4 | 0 | 0 | 0 | 111.1 | ||
| 519 | V | 42.7 | Very low | 40.6 | Very low | 99 Ų | 99 | 135.2 Ų | 135.2 | 60% | 0.6 | 74% | 0.74 | S | S | * | * | B | Isolated β-bridge | trans | -124.1 | 124.9 | 160.5 | -179.5 | 0 | 0 | 0 | 0 | 107.1 | N521 R522 | V519-N521 PolarHBondContact O-N 3.27Å; V519-R522 PolarHBondContact O-N 3.45Å |
| 520 | N | 44.5 | Very low | 40.9 | Very low | 152 Ų | 152 | 134.7 Ų | 134.7 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52 | 47.6 | 174.5 | -64.1 | -20.4 | 0 | 0 | 0 | 116.2 | R522 | N520-R522 PolarHBondContact O-N 3.49Š|
| 521 | N | 48.8 | Very low | 41.4 | Very low | 153 Ų | 153 | 135.9 Ų | 135.9 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.5 | 23.5 | 174 | -91.1 | 4.8 | 0 | 0 | 0 | 115.4 | V519 | V519-N521 PolarHBondContact O-N 3.27Š|
| 522 | R | 43.8 | Very low | 41.7 | Very low | 165 Ų | 165 | 132.5 Ų | 132.5 | 62% | 0.623 | 72% | 0.719 | S | S | * | * | B | Isolated β-bridge | trans | -121.8 | 131.2 | 169.5 | -81.3 | -169.5 | -173.5 | -150.4 | 1.3 | 111.1 | V519 N520 Y524 | V519-R522 PolarHBondContact O-N 3.45Å; N520-R522 PolarHBondContact O-N 3.49Å; R522-Y524 HydrophobicContact CB-CD2 4.27Å; R522-Y524 HydrophobicContact CB-CE2 3.79Å |
| 523 | P | 40.8 | Very low | 42 | Very low | 90 Ų | 90 | 129.8 Ų | 129.8 | 58% | 0.584 | 71% | 0.713 | S | S | * | * | trans | -72.3 | 126.1 | 167.6 | 29.7 | -29.7 | 0 | 0 | 0 | 108.8 | F516 | F516-P523 HydrophobicContact CD1-CB 3.97Å; F516-P523 HydrophobicContact CE1-CB 3.99Å | ||
| 524 | Y | 42.3 | Very low | 42.2 | Very low | 139 Ų | 139 | 130.8 Ų | 130.8 | 55% | 0.545 | 71% | 0.707 | S | S | . | * | trans | -116.2 | 127.8 | 165.1 | -73.7 | -82.8 | 0 | 0 | 0 | 108.2 | R522 | R522-Y524 HydrophobicContact CB-CD2 4.27Å; R522-Y524 HydrophobicContact CB-CE2 3.79Å | ||
| 525 | T | 47.1 | Very low | 42.5 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 53% | 0.534 | 71% | 0.712 | S | S | . | * | trans | -76.8 | 140.3 | 170.3 | 46.4 | 0 | 0 | 0 | 0 | 109.1 | F516 G527 | F516-T525 HydrophobicContact CE1-CG2 4.39Å; T525-G527 PolarHBondContact O-N 3.41Å | ||
| 526 | M | 40.8 | Very low | 43.2 | Very low | 212 Ų | 212 | 132.8 Ų | 132.8 | 100% | 1.044 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 83.5 | 178 | -159 | -173.7 | -83 | 0 | 0 | 109 | ||
| 527 | G | 59.2 | Low | 43.8 | Very low | 75 Ų | 75 | 134.5 Ų | 134.5 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 180 | -3.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | T525 | T525-G527 PolarHBondContact O-N 3.41Š|
| 528 | E | 44.9 | Very low | 44.5 | Very low | 224 Ų | 224 | 139.4 Ų | 139.4 | 100% | 1.047 | 73% | 0.729 | S | S | * | * | trans | -118.2 | 0 | 174.6 | -73.1 | -174.5 | 128.8 | 0 | 0 | 112.6 |
Retrieved 528 of 528 residues in 468.5 ms
(Link to these results)