| 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 | 29.5 | Very low | 41.7 | Very low | 225 Ų | 225 | 84.1 Ų | 84.1 | 100% | 1.108 | 47% | 0.467 | S | S | * | . | 0 | 56.7 | 0 | -65.3 | -154.1 | -63.4 | 0 | 0 | 107.7 | |||||
| 2 | E | 35.7 | Very low | 41.7 | Very low | 172 Ų | 172 | 85.8 Ų | 85.8 | 80% | 0.804 | 49% | 0.49 | S | S | * | . | -8.8 | 93.4 | 58.1 | -68.7 | -176.1 | 162.2 | 0 | 0 | 114.9 | |||||
| 3 | S | 41.7 | Very low | 41.8 | Very low | 90 Ų | 90 | 88.2 Ų | 88.2 | 63% | 0.629 | 50% | 0.5 | S | S | * | . | trans | 175.1 | 63.2 | 154.5 | 54.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 4 | L | 38.5 | Very low | 42.2 | Very low | 113 Ų | 113 | 86.3 Ų | 86.3 | 59% | 0.592 | 51% | 0.509 | S | S | * | . | trans | -135.4 | -6 | 159.2 | -82.6 | -174.7 | 0 | 0 | 0 | 116.3 | L6 Q20 | L4-L6 HydrophobicContact CB-CD1 4.29Å; L4-L6 WeakPolarHBondContact O-CG 3.5Å; L4-L6 PolarHBondContact O-N 2.93Å; L4-Q20 VanDerWaalsContact CD2-NE2 3.28Å | ||
| 5 | G | 39.7 | Very low | 42.4 | Very low | 53 Ų | 53 | 86.1 Ų | 86.1 | 55% | 0.546 | 51% | 0.509 | S | S | . | . | trans | 37 | 47.7 | 160.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 6 | L | 41.5 | Very low | 42.8 | Very low | 97 Ų | 97 | 85 Ų | 85 | 51% | 0.508 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 118.9 | -177.1 | -82.5 | 149.5 | 0 | 0 | 0 | 108.4 | L4 Q20 | L4-L6 HydrophobicContact CB-CD1 4.29Å; L4-L6 WeakPolarHBondContact O-CG 3.5Å; L4-L6 PolarHBondContact O-N 2.93Å; L6-Q20 HydrophobicContact CD2-CB 3.7Å; L6-Q20 HydrophobicContact CD2-CG 4.02Å; L6-Q20 HydrophobicContact CG-CG 4.4Å |
| 7 | Q | 47.3 | Very low | 43 | Very low | 58 Ų | 58 | 82.4 Ų | 82.4 | 27% | 0.271 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 136.8 | 170.7 | -83.6 | -174.6 | -20.3 | 0 | 0 | 109.9 | V19 | Q7-V19 PolarHBondContact N-O 3Å; Q7-V19 VanDerWaalsContact N-O 3.15Å; Q7-V19 PolarHBondContact O-N 2.91Å |
| 8 | T | 43.4 | Very low | 43.2 | Very low | 23 Ų | 23 | 87.6 Ų | 87.6 | 14% | 0.141 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 132.1 | 172.5 | 45.5 | 0 | 0 | 0 | 0 | 109.7 | A17 Y18 T48 | T8-A17 WeakPolarHBondContact CA-O 3.32Å; T8-Y18 HydrophobicContact CG2-CD1 3.34Å; T8-Y18 HydrophobicContact CG2-CE1 3.31Å; T8-Y18 HydrophobicContact CG2-CG 4.2Å; T8-T48 PolarHBondContact OG1-O 3.48Å |
| 9 | V | 48.6 | Very low | 43.5 | Very low | 5 Ų | 5 | 86.2 Ų | 86.2 | 3% | 0.03 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 126 | 175.1 | 178.2 | 0 | 0 | 0 | 0 | 108.4 | L11 A17 I44 | V9-L11 HydrophobicContact CG1-CD2 4.28Å; V9-A17 PolarHBondContact N-O 2.63Å; V9-A17 PolarHBondContact O-N 3Å; V9-I44 HydrophobicContact CG1-CB 4.3Å; V9-I44 HydrophobicContact CG1-CG1 4.18Å; V9-I44 HydrophobicContact CG1-CG2 3.88Å |
| 10 | T | 44.9 | Very low | 43.4 | Very low | 50 Ų | 50 | 87.9 Ų | 87.9 | 31% | 0.307 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 122.5 | 170.1 | 35.5 | 0 | 0 | 0 | 0 | 109.6 | T16 | T10-T16 HydrophobicContact CG2-CG2 3.89Å |
| 11 | L | 48.4 | Very low | 43.7 | Very low | 39 Ų | 39 | 89.1 Ų | 89.1 | 20% | 0.204 | 50% | 0.503 | C | S | . | . | trans | -82.6 | 163 | 174.9 | -61.5 | -178.6 | 0 | 0 | 0 | 110.6 | V9 D13 G14 T15 A42 | V9-L11 HydrophobicContact CG1-CD2 4.28Å; L11-D13 PolarHBondContact O-N 2.95Å; L11-G14 PolarHBondContact O-N 3.03Å; L11-T15 PolarHBondContact N-O 2.82Å; L11-A42 HydrophobicContact CD1-CB 4.15Å; L11-A42 HydrophobicContact CD2-CB 3.77Å | ||
| 12 | S | 41.1 | Very low | 44 | Very low | 105 Ų | 105 | 82.2 Ų | 82.2 | 73% | 0.734 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -10 | -175.1 | 53.3 | 0 | 0 | 0 | 0 | 115.1 | ||
| 13 | D | 42.9 | Very low | 44.2 | Very low | 117 Ų | 117 | 80.2 Ų | 80.2 | 63% | 0.626 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 0.2 | 173.7 | 62.9 | 7.1 | 0 | 0 | 0 | 113.5 | L11 T15 | L11-D13 PolarHBondContact O-N 2.95Å; D13-T15 VanDerWaalsContact CG-OG1 3.28Å; D13-T15 VanDerWaalsContact OD1-CB 3.32Å; D13-T15 WeakPolarHBondContact OD1-CB 3.46Å; D13-T15 PolarHBondContact OD1-N 3.46Å; D13-T15 PolarHBondContact OD1-OG1 3.43Å; D13-T15 PolarHBondContact OD2-OG1 2.92Å |
| 14 | G | 47.7 | Very low | 44.1 | Very low | 61 Ų | 61 | 85 Ų | 85 | 63% | 0.629 | 49% | 0.49 | S | S | * | . | S | Bend | trans | 88.7 | 4.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L11 | L11-G14 PolarHBondContact O-N 3.03Š|
| 15 | T | 44.7 | Very low | 44.1 | Very low | 83 Ų | 83 | 83.3 Ų | 83.3 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | trans | -83.6 | 128.9 | 178.2 | -39 | 0 | 0 | 0 | 0 | 110.8 | L11 D13 | L11-T15 PolarHBondContact N-O 2.82Å; D13-T15 VanDerWaalsContact CG-OG1 3.28Å; D13-T15 VanDerWaalsContact OD1-CB 3.32Å; D13-T15 WeakPolarHBondContact OD1-CB 3.46Å; D13-T15 PolarHBondContact OD1-N 3.46Å; D13-T15 PolarHBondContact OD1-OG1 3.43Å; D13-T15 PolarHBondContact OD2-OG1 2.92Å | ||
| 16 | T | 48.8 | Very low | 44.2 | Very low | 69 Ų | 69 | 88.7 Ų | 88.7 | 42% | 0.423 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 113.8 | 177.6 | -35.3 | 0 | 0 | 0 | 0 | 110.2 | T10 | T10-T16 HydrophobicContact CG2-CG2 3.89Å |
| 17 | A | 47.1 | Very low | 44.7 | Very low | 41 Ų | 41 | 92.7 Ų | 92.7 | 34% | 0.339 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 136.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | T8 V9 | T8-A17 WeakPolarHBondContact CA-O 3.32Å; V9-A17 PolarHBondContact N-O 2.63Å; V9-A17 PolarHBondContact O-N 3Å |
| 18 | Y | 45.4 | Very low | 44.9 | Very low | 176 Ų | 176 | 92.3 Ų | 92.3 | 69% | 0.69 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 111.9 | 175.3 | -64.5 | -94.4 | 0 | 0 | 0 | 108.5 | T8 | T8-Y18 HydrophobicContact CG2-CD1 3.34Å; T8-Y18 HydrophobicContact CG2-CE1 3.31Å; T8-Y18 HydrophobicContact CG2-CG 4.2Å |
| 19 | V | 48.9 | Very low | 45.3 | Very low | 61 Ų | 61 | 97 Ų | 97 | 37% | 0.37 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 112.6 | -179.6 | -173.7 | 0 | 0 | 0 | 0 | 108.7 | Q7 | Q7-V19 PolarHBondContact N-O 3Å; Q7-V19 VanDerWaalsContact N-O 3.15Å; Q7-V19 PolarHBondContact O-N 2.91Å |
| 20 | Q | 42.4 | Very low | 45.3 | Very low | 119 Ų | 119 | 102.9 Ų | 102.9 | 56% | 0.556 | 57% | 0.574 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.2 | 114.5 | 173.1 | -165.6 | 171.8 | 7.3 | 0 | 0 | 108.3 | L4 L6 A22 | L4-Q20 VanDerWaalsContact CD2-NE2 3.28Å; L6-Q20 HydrophobicContact CD2-CB 3.7Å; L6-Q20 HydrophobicContact CD2-CG 4.02Å; L6-Q20 HydrophobicContact CG-CG 4.4Å; Q20-A22 PolarHBondContact O-N 2.92Å |
| 21 | Q | 48.9 | Very low | 45.7 | Very low | 115 Ų | 115 | 103 Ų | 103 | 54% | 0.537 | 59% | 0.585 | S | S | . | * | trans | -70.1 | 92.5 | -176.5 | -164.3 | 175.4 | 25.7 | 0 | 0 | 110.4 | E26 | Q21-E26 PolarHBondContact NE2-O 2.84Š| ||
| 22 | A | 37 | Very low | 46.1 | Very low | 80 Ų | 80 | 105 Ų | 105 | 66% | 0.661 | 59% | 0.594 | S | S | * | * | trans | -113.1 | 124.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q20 | Q20-A22 PolarHBondContact O-N 2.92Š| ||
| 23 | V | 39.3 | Very low | 46.7 | Very low | 130 Ų | 130 | 103 Ų | 103 | 79% | 0.788 | 58% | 0.577 | S | S | * | * | S | Bend | trans | 91 | 111.5 | 166.2 | -161.9 | 0 | 0 | 0 | 0 | 116.4 | ||
| 24 | K | 39.3 | Very low | 47.4 | Very low | 191 Ų | 191 | 100.1 Ų | 100.1 | 83% | 0.83 | 56% | 0.561 | S | S | * | * | S | Bend | trans | 79.2 | 37.2 | 159.5 | -78.3 | -177.8 | 177.2 | -178.2 | 0 | 120.7 | E26 | K24-E26 PolarHBondContact O-N 3.1Š|
| 25 | G | 37.8 | Very low | 47.3 | Very low | 77 Ų | 77 | 104.7 Ų | 104.7 | 79% | 0.794 | 57% | 0.566 | S | S | * | * | trans | 59.4 | 15.2 | 144.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 26 | E | 43.8 | Very low | 47.8 | Very low | 165 Ų | 165 | 104.7 Ų | 104.7 | 77% | 0.771 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 134.6 | 174.4 | -70.5 | -173.1 | 166.3 | 0 | 0 | 110.5 | Q21 K24 | Q21-E26 PolarHBondContact NE2-O 2.84Å; K24-E26 PolarHBondContact O-N 3.1Å |
| 27 | K | 50.1 | Low | 47.6 | Very low | 181 Ų | 181 | 111.5 Ų | 111.5 | 79% | 0.787 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 131.3 | 177.1 | -71.6 | -179.4 | 177.1 | -179.8 | 0 | 109.2 | ||
| 28 | L | 52.2 | Low | 47.4 | Very low | 50 Ų | 50 | 115.3 Ų | 115.3 | 26% | 0.262 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -70.8 | 135.8 | 174 | -66 | 171.5 | 0 | 0 | 0 | 110.3 | I44 | L28-I44 HydrophobicContact CB-CD1 4.09Å; L28-I44 HydrophobicContact CD1-CD1 4.32Å; L28-I44 HydrophobicContact CD2-CD1 4.19Å; L28-I44 HydrophobicContact CG-CD1 4.44Å |
| 29 | L | 51.8 | Low | 47.3 | Very low | 122 Ų | 122 | 109.7 Ų | 109.7 | 64% | 0.639 | 60% | 0.599 | S | S | * | * | trans | -108.8 | 145 | 179.6 | -65.4 | 171.3 | 0 | 0 | 0 | 110.9 | G31 Q32 | L29-G31 PolarHBondContact O-N 3.09Å; L29-Q32 VanDerWaalsContact O-CB 3.29Å; L29-Q32 WeakPolarHBondContact O-CB 3.49Å; L29-Q32 PolarHBondContact O-N 2.98Å | ||
| 30 | E | 49.1 | Very low | 47.3 | Very low | 128 Ų | 128 | 110.3 Ų | 110.3 | 60% | 0.598 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | 130.4 | 173.7 | -163.5 | 174.8 | 169.9 | 0 | 0 | 110.1 | H45 Q46 | E30-H45 VanDerWaalsContact CG-O 3.29Å; E30-H45 WeakPolarHBondContact CG-O 3.48Å; E30-H45 VanDerWaalsContact OE1-O 3.05Å; E30-Q46 VanDerWaalsContact OE1-CG 3.3Å; E30-Q46 WeakPolarHBondContact OE1-CG 3.47Å |
| 31 | G | 53.3 | Low | 47.5 | Very low | 53 Ų | 53 | 108.9 Ų | 108.9 | 55% | 0.546 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 90.2 | 3.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116 | L29 I44 | L29-G31 PolarHBondContact O-N 3.09Å; G31-I44 PolarHBondContact N-O 3.21Å |
| 32 | Q | 55.6 | Low | 47.5 | Very low | 82 Ų | 82 | 103.9 Ų | 103.9 | 38% | 0.383 | 58% | 0.581 | S | S | . | * | trans | -77.2 | 141 | 174.2 | -169 | 171.4 | -6.5 | 0 | 0 | 111.8 | L29 I44 | L29-Q32 VanDerWaalsContact O-CB 3.29Å; L29-Q32 WeakPolarHBondContact O-CB 3.49Å; L29-Q32 PolarHBondContact O-N 2.98Å; Q32-I44 HydrophobicContact CB-CD1 4.24Å; Q32-I44 WeakPolarHBondContact O-CG1 3.29Å; Q32-I44 PolarHBondContact O-N 2.84Å; Q32-I44 VanDerWaalsContact O-N 3.1Å | ||
| 33 | V | 53.8 | Low | 47.8 | Very low | 62 Ų | 62 | 106.7 Ų | 106.7 | 38% | 0.376 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.9 | 125.5 | 176.8 | -168.9 | 0 | 0 | 0 | 0 | 109.1 | T41 A42 Y43 | V33-T41 HydrophobicContact CG1-CG2 3.67Å; V33-A42 WeakPolarHBondContact CA-O 3.49Å; V33-Y43 HydrophobicContact CB-CE2 4.44Å; V33-Y43 HydrophobicContact CG1-CD2 4.16Å; V33-Y43 HydrophobicContact CG1-CE2 3.89Å; V33-Y43 HydrophobicContact CG2-CD1 3.74Å; V33-Y43 HydrophobicContact CG2-CD2 4.14Å; V33-Y43 HydrophobicContact CG2-CE1 3.25Å; V33-Y43 HydrophobicContact CG2-CE2 3.68Å; V33-Y43 HydrophobicContact CG2-CG 4.16Å |
| 34 | I | 58.9 | Low | 48.6 | Very low | 57 Ų | 57 | 100.6 Ų | 100.6 | 29% | 0.292 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 136.9 | 179.4 | -0.1 | 173 | 0 | 0 | 0 | 109.4 | A42 I44 | I34-A42 PolarHBondContact N-O 3.4Å; I34-A42 PolarHBondContact O-N 3.21Å; I34-I44 HydrophobicContact CD1-CD1 3.63Å; I34-I44 HydrophobicContact CD1-CG1 3.78Å; I34-I44 HydrophobicContact CG1-CD1 4.07Å; I34-I44 HydrophobicContact CG1-CG1 4Å |
| 35 | Q | 46.2 | Very low | 48.5 | Very low | 157 Ų | 157 | 97.5 Ų | 97.5 | 73% | 0.734 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 125.2 | 170 | -80.7 | -173.7 | 7.6 | 0 | 0 | 109.2 | T41 | Q35-T41 HydrophobicContact CG-CG2 3.59Å |
| 36 | L | 54.3 | Low | 48.7 | Very low | 82 Ų | 82 | 99 Ų | 99 | 43% | 0.429 | 51% | 0.513 | S | S | . | . | trans | -83.6 | 158.4 | 174.1 | -62.6 | 174.1 | 0 | 0 | 0 | 109.8 | D38 G39 T40 A42 | L36-D38 WeakPolarHBondContact CB-OD1 3.3Å; L36-D38 PolarHBondContact O-N 2.93Å; L36-D38 VanDerWaalsContact O-N 3.09Å; L36-G39 PolarHBondContact O-N 3.45Å; L36-T40 PolarHBondContact N-O 3.15Å; L36-A42 HydrophobicContact CD1-CB 4.14Å; L36-A42 HydrophobicContact CG-CB 4.36Å | ||
| 37 | E | 43.5 | Very low | 48.8 | Very low | 212 Ų | 212 | 93 Ų | 93 | 99% | 0.991 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -16.3 | -175.2 | -68.7 | -173.6 | 158.1 | 0 | 0 | 113.8 | G39 | E37-G39 VanDerWaalsContact C-N 3.28Š|
| 38 | D | 42.9 | Very low | 48.4 | Very low | 121 Ų | 121 | 88.2 Ų | 88.2 | 65% | 0.647 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 0.5 | 173.1 | 65.4 | 7.4 | 0 | 0 | 0 | 113.9 | L36 T40 | L36-D38 WeakPolarHBondContact CB-OD1 3.3Å; L36-D38 PolarHBondContact O-N 2.93Å; L36-D38 VanDerWaalsContact O-N 3.09Å; D38-T40 WeakPolarHBondContact OD1-CB 3.29Å; D38-T40 PolarHBondContact OD1-N 2.89Å; D38-T40 PolarHBondContact OD1-OG1 3.34Å; D38-T40 PolarHBondContact OD2-OG1 3.28Å |
| 39 | G | 45.2 | Very low | 47.9 | Very low | 58 Ų | 58 | 90.9 Ų | 90.9 | 60% | 0.598 | 49% | 0.492 | S | S | * | . | S | Bend | trans | 85.7 | 3.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L36 E37 | L36-G39 PolarHBondContact O-N 3.45Å; E37-G39 VanDerWaalsContact C-N 3.28Å |
| 40 | T | 47.2 | Very low | 47 | Very low | 75 Ų | 75 | 93 Ų | 93 | 46% | 0.46 | 50% | 0.499 | S | S | . | . | trans | -83.4 | 147.9 | 173.8 | 56.6 | 0 | 0 | 0 | 0 | 112.2 | L36 D38 | L36-T40 PolarHBondContact N-O 3.15Å; D38-T40 WeakPolarHBondContact OD1-CB 3.29Å; D38-T40 PolarHBondContact OD1-N 2.89Å; D38-T40 PolarHBondContact OD1-OG1 3.34Å; D38-T40 PolarHBondContact OD2-OG1 3.28Å | ||
| 41 | T | 47.2 | Very low | 46.4 | Very low | 88 Ų | 88 | 95.6 Ų | 95.6 | 54% | 0.54 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 120.1 | 178.6 | 7.1 | 0 | 0 | 0 | 0 | 109.7 | V33 Q35 | V33-T41 HydrophobicContact CG1-CG2 3.67Å; Q35-T41 HydrophobicContact CG-CG2 3.59Å |
| 42 | A | 48.2 | Very low | 45.3 | Very low | 10 Ų | 10 | 101.7 Ų | 101.7 | 8% | 0.083 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 136.7 | -179 | 0 | 0 | 0 | 0 | 0 | 110.8 | L11 V33 I34 L36 | L11-A42 HydrophobicContact CD1-CB 4.15Å; L11-A42 HydrophobicContact CD2-CB 3.77Å; V33-A42 WeakPolarHBondContact CA-O 3.49Å; I34-A42 PolarHBondContact N-O 3.4Å; I34-A42 PolarHBondContact O-N 3.21Å; L36-A42 HydrophobicContact CD1-CB 4.14Å; L36-A42 HydrophobicContact CG-CB 4.36Å |
| 43 | Y | 44.6 | Very low | 44 | Very low | 139 Ų | 139 | 103.6 Ų | 103.6 | 55% | 0.545 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 126.6 | 176.6 | -90.7 | -100.3 | 0 | 0 | 0 | 110.3 | V33 H45 | V33-Y43 HydrophobicContact CB-CE2 4.44Å; V33-Y43 HydrophobicContact CG1-CD2 4.16Å; V33-Y43 HydrophobicContact CG1-CE2 3.89Å; V33-Y43 HydrophobicContact CG2-CD1 3.74Å; V33-Y43 HydrophobicContact CG2-CD2 4.14Å; V33-Y43 HydrophobicContact CG2-CE1 3.25Å; V33-Y43 HydrophobicContact CG2-CE2 3.68Å; V33-Y43 HydrophobicContact CG2-CG 4.16Å; Y43-H45 PolarHBondContact O-N 2.83Å |
| 44 | I | 55.2 | Low | 43.2 | Very low | 2 Ų | 2 | 107 Ų | 107 | 1% | 0.01 | 56% | 0.56 | C | S | . | * | trans | -77 | 104.1 | 175.5 | -56.6 | -175.7 | 0 | 0 | 0 | 108.6 | V9 L28 G31 Q32 I34 V47 | V9-I44 HydrophobicContact CG1-CB 4.3Å; V9-I44 HydrophobicContact CG1-CG1 4.18Å; V9-I44 HydrophobicContact CG1-CG2 3.88Å; L28-I44 HydrophobicContact CB-CD1 4.09Å; L28-I44 HydrophobicContact CD1-CD1 4.32Å; L28-I44 HydrophobicContact CD2-CD1 4.19Å; L28-I44 HydrophobicContact CG-CD1 4.44Å; G31-I44 PolarHBondContact N-O 3.21Å; Q32-I44 HydrophobicContact CB-CD1 4.24Å; Q32-I44 WeakPolarHBondContact O-CG1 3.29Å; Q32-I44 PolarHBondContact O-N 2.84Å; Q32-I44 VanDerWaalsContact O-N 3.1Å; I34-I44 HydrophobicContact CD1-CD1 3.63Å; I34-I44 HydrophobicContact CD1-CG1 3.78Å; I34-I44 HydrophobicContact CG1-CD1 4.07Å; I34-I44 HydrophobicContact CG1-CG1 4Å; I44-V47 HydrophobicContact CG2-CG2 3.54Å | ||
| 45 | H | 37.6 | Very low | 42 | Very low | 127 Ų | 127 | 109.3 Ų | 109.3 | 59% | 0.588 | 58% | 0.581 | S | S | * | * | trans | -82.8 | -41.6 | -174.9 | -164.6 | 34.8 | 0 | 0 | 0 | 113.2 | E30 Y43 | E30-H45 VanDerWaalsContact CG-O 3.29Å; E30-H45 WeakPolarHBondContact CG-O 3.48Å; E30-H45 VanDerWaalsContact OE1-O 3.05Å; Y43-H45 PolarHBondContact O-N 2.83Å | ||
| 46 | Q | 41.1 | Very low | 41.9 | Very low | 107 Ų | 107 | 105.6 Ų | 105.6 | 50% | 0.5 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -152.7 | 142.7 | 175.5 | -88.7 | -179.2 | -10.7 | 0 | 0 | 110.1 | E30 | E30-Q46 VanDerWaalsContact OE1-CG 3.3Å; E30-Q46 WeakPolarHBondContact OE1-CG 3.47Å |
| 47 | V | 47.1 | Very low | 41.5 | Very low | 39 Ų | 39 | 109.3 Ų | 109.3 | 24% | 0.236 | 58% | 0.578 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -114 | 108.5 | 174.7 | -177.5 | 0 | 0 | 0 | 0 | 108.8 | I44 | I44-V47 HydrophobicContact CG2-CG2 3.54Å |
| 48 | T | 41.9 | Very low | 41.7 | Very low | 81 Ų | 81 | 103.4 Ų | 103.4 | 50% | 0.497 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.2 | 118 | 175.3 | 45.9 | 0 | 0 | 0 | 0 | 110.2 | T8 Q50 | T8-T48 PolarHBondContact OG1-O 3.48Å; T48-Q50 PolarHBondContact O-N 2.85Å |
| 49 | V | 41.6 | Very low | 42.1 | Very low | 107 Ų | 107 | 99 Ų | 99 | 65% | 0.648 | 54% | 0.536 | S | S | * | . | trans | -81.2 | 101.2 | 173.1 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | K51 | V49-K51 PolarHBondContact O-N 2.88Š| ||
| 50 | Q | 32.5 | Very low | 42.1 | Very low | 167 Ų | 167 | 99.9 Ų | 99.9 | 78% | 0.78 | 53% | 0.525 | S | S | * | . | trans | -78.7 | 107.1 | 165.4 | -80.7 | -174 | -8.7 | 0 | 0 | 108.6 | T48 | T48-Q50 PolarHBondContact O-N 2.85Š| ||
| 51 | K | 36.9 | Very low | 42 | Very low | 182 Ų | 182 | 99.7 Ų | 99.7 | 79% | 0.791 | 53% | 0.525 | S | S | * | . | trans | -87.3 | 110 | 165 | -111.4 | -179.8 | 175 | -178.1 | 0 | 107.3 | V49 S53 | V49-K51 PolarHBondContact O-N 2.88Å; K51-S53 PolarHBondContact O-N 3.42Å | ||
| 52 | E | 29.5 | Very low | 42 | Very low | 180 Ų | 180 | 97.6 Ų | 97.6 | 84% | 0.841 | 51% | 0.512 | S | S | * | . | trans | -64.9 | 128.3 | 166.7 | -78.2 | -178.1 | 151.9 | 0 | 0 | 109.1 | L54 | E52-L54 PolarHBondContact O-N 2.96Å; E52-L54 VanDerWaalsContact O-N 3.17Å | ||
| 53 | S | 29.2 | Very low | 41.6 | Very low | 122 Ų | 122 | 103.6 Ų | 103.6 | 85% | 0.853 | 54% | 0.538 | S | S | * | . | trans | -72.6 | 103.5 | 176.7 | 53.9 | 0 | 0 | 0 | 0 | 109.8 | K51 | K51-S53 PolarHBondContact O-N 3.42Š| ||
| 54 | L | 35.8 | Very low | 41.8 | Very low | 134 Ų | 134 | 100 Ų | 100 | 70% | 0.702 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -76.3 | 119.9 | 169.7 | -78.6 | 156.9 | 0 | 0 | 0 | 109.4 | E52 F56 | E52-L54 PolarHBondContact O-N 2.96Å; E52-L54 VanDerWaalsContact O-N 3.17Å; L54-F56 HydrophobicContact CB-CE1 4.37Å; L54-F56 HydrophobicContact CB-CE2 4.13Å; L54-F56 HydrophobicContact CB-CZ 3.85Å; L54-F56 WeakPolarHBondContact O-CD2 3.21Å; L54-F56 WeakPolarHBondContact O-CE2 3.43Å |
| 55 | S | 34 | Very low | 40.9 | Very low | 105 Ų | 105 | 109.1 Ų | 109.1 | 73% | 0.734 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 119.5 | 170.7 | 60.3 | 0 | 0 | 0 | 0 | 109.9 | ||
| 56 | F | 43.5 | Very low | 40.9 | Very low | 80 Ų | 80 | 109 Ų | 109 | 35% | 0.351 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -95 | 141.8 | 177.1 | -58.1 | -79.2 | 0 | 0 | 0 | 111.9 | L54 I72 R74 | L54-F56 HydrophobicContact CB-CE1 4.37Å; L54-F56 HydrophobicContact CB-CE2 4.13Å; L54-F56 HydrophobicContact CB-CZ 3.85Å; L54-F56 WeakPolarHBondContact O-CD2 3.21Å; L54-F56 WeakPolarHBondContact O-CE2 3.43Å; F56-I72 HydrophobicContact CG-CD1 4.48Å; F56-R74 PolarHBondContact O-NE 2.85Å; F56-R74 PolarHBondContact O-NH2 3.26Å |
| 57 | E | 47.6 | Very low | 40.8 | Very low | 160 Ų | 160 | 106 Ų | 106 | 75% | 0.748 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 148.7 | 171.9 | -64.6 | -170.9 | 163.2 | 0 | 0 | 111 | G59 Q60 | E57-G59 PolarHBondContact O-N 3.08Å; E57-Q60 WeakPolarHBondContact O-CB 3.48Å; E57-Q60 PolarHBondContact O-N 3.17Å |
| 58 | D | 46.8 | Very low | 40.6 | Very low | 88 Ų | 88 | 105.6 Ų | 105.6 | 47% | 0.471 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.6 | 126 | -175.7 | -169.1 | 52 | 0 | 0 | 0 | 111.4 | H73 R74 | D58-H73 VanDerWaalsContact OD1-CA 3.24Å; D58-H73 WeakPolarHBondContact OD1-CA 3.44Å; D58-H73 IonicContact OD1-ND1 3.47Å; D58-H73 PolarHBondContact OD1-ND1 2.81Å; D58-H73 IonicContact OD2-ND1 3.95Å; D58-R74 PolarHBondContact OD1-N 3.25Å |
| 59 | G | 52.2 | Low | 40.5 | Very low | 28 Ų | 28 | 105.3 Ų | 105.3 | 29% | 0.289 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 85.3 | 12.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | E57 P61 I72 | E57-G59 PolarHBondContact O-N 3.08Å; G59-P61 WeakPolarHBondContact O-CD 3.43Å; G59-I72 PolarHBondContact N-O 3.28Å |
| 60 | Q | 45.1 | Very low | 40.7 | Very low | 77 Ų | 77 | 100.5 Ų | 100.5 | 36% | 0.36 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 123.8 | 176.5 | -170 | 173.8 | -33.2 | 0 | 0 | 111.1 | E57 I72 | E57-Q60 WeakPolarHBondContact O-CB 3.48Å; E57-Q60 PolarHBondContact O-N 3.17Å; Q60-I72 PolarHBondContact O-N 3.26Å |
| 61 | P | 43.8 | Very low | 41.4 | Very low | 70 Ų | 70 | 98 Ų | 98 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 124.4 | 175.9 | 28.2 | -31.1 | 0 | 0 | 0 | 110.4 | G59 M69 Y71 | G59-P61 WeakPolarHBondContact O-CD 3.43Å; P61-M69 HydrophobicContact CB-CE 3.63Å; P61-Y71 HydrophobicContact CB-CD1 4.03Å; P61-Y71 HydrophobicContact CB-CE1 3.67Å |
| 62 | V | 48.5 | Very low | 42.1 | Very low | 45 Ų | 45 | 91.4 Ų | 91.4 | 27% | 0.273 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 127.2 | 176.7 | -179 | 0 | 0 | 0 | 0 | 108.7 | A70 I72 | V62-A70 PolarHBondContact N-O 2.98Å; V62-A70 PolarHBondContact O-N 3.33Å; V62-I72 HydrophobicContact CG2-CD1 3.82Å; V62-I72 HydrophobicContact CG2-CG1 4.35Å |
| 63 | Q | 39.8 | Very low | 43.2 | Very low | 136 Ų | 136 | 85.3 Ų | 85.3 | 64% | 0.636 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 121.6 | 176.1 | -162 | 169.1 | 21.2 | 0 | 0 | 108.9 | S68 M69 | Q63-S68 CarbonylContact C-O 3.58Å; Q63-S68 WeakPolarHBondContact CA-O 3.4Å; Q63-M69 HydrophobicContact CB-CE 4.45Å; Q63-M69 HydrophobicContact CB-SD 3.62Å; Q63-M69 HydrophobicContact CG-SD 3.59Å; Q63-M69 VanDerWaalsContact CG-SD 3.59Å |
| 64 | L | 47.2 | Very low | 44 | Very low | 64 Ų | 64 | 87.2 Ų | 87.2 | 34% | 0.335 | 45% | 0.454 | S | S | . | . | trans | -78.6 | 162.2 | 178.1 | -61.2 | 179.1 | 0 | 0 | 0 | 110.5 | D66 G67 S68 A70 | L64-D66 WeakPolarHBondContact CB-OD1 3.46Å; L64-D66 PolarHBondContact O-N 3.42Å; L64-D66 VanDerWaalsContact O-N 3.08Å; L64-G67 PolarHBondContact O-N 3.27Å; L64-S68 PolarHBondContact N-O 3.34Å; L64-A70 HydrophobicContact CD1-CB 4.06Å; L64-A70 HydrophobicContact CD2-CB 4.3Å; L64-A70 HydrophobicContact CG-CB 4.09Å | ||
| 65 | E | 36.9 | Very low | 44.6 | Very low | 193 Ų | 193 | 85 Ų | 85 | 90% | 0.902 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -20.8 | -178.4 | -69.8 | -170.9 | 149.8 | 0 | 0 | 113.7 | G67 | E65-G67 VanDerWaalsContact C-N 3.27Å; E65-G67 PolarHBondContact O-N 3.25Å |
| 66 | D | 38.3 | Very low | 45 | Very low | 124 Ų | 124 | 83.8 Ų | 83.8 | 66% | 0.663 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -0.1 | 174.9 | 70.2 | -2.2 | 0 | 0 | 0 | 113.8 | L64 S68 | L64-D66 WeakPolarHBondContact CB-OD1 3.46Å; L64-D66 PolarHBondContact O-N 3.42Å; L64-D66 VanDerWaalsContact O-N 3.08Å; D66-S68 VanDerWaalsContact C-N 3.33Å; D66-S68 VanDerWaalsContact CG-OG 3.31Å; D66-S68 VanDerWaalsContact OD1-CB 3.23Å; D66-S68 WeakPolarHBondContact OD1-CB 3.44Å; D66-S68 PolarHBondContact OD1-N 3.05Å; D66-S68 PolarHBondContact OD1-OG 2.92Å; D66-S68 PolarHBondContact OD2-OG 3.34Å |
| 67 | G | 38.6 | Very low | 45 | Very low | 45 Ų | 45 | 86.7 Ų | 86.7 | 46% | 0.464 | 45% | 0.448 | S | S | . | . | S | Bend | trans | 83.6 | 0.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L64 E65 | L64-G67 PolarHBondContact O-N 3.27Å; E65-G67 VanDerWaalsContact C-N 3.27Å; E65-G67 PolarHBondContact O-N 3.25Å |
| 68 | S | 42.8 | Very low | 44.6 | Very low | 30 Ų | 30 | 88.8 Ų | 88.8 | 21% | 0.21 | 46% | 0.458 | C | S | . | . | trans | -80 | 156.7 | 174.3 | 72 | 0 | 0 | 0 | 0 | 111.9 | Q63 L64 D66 | Q63-S68 CarbonylContact C-O 3.58Å; Q63-S68 WeakPolarHBondContact CA-O 3.4Å; L64-S68 PolarHBondContact N-O 3.34Å; D66-S68 VanDerWaalsContact C-N 3.33Å; D66-S68 VanDerWaalsContact CG-OG 3.31Å; D66-S68 VanDerWaalsContact OD1-CB 3.23Å; D66-S68 WeakPolarHBondContact OD1-CB 3.44Å; D66-S68 PolarHBondContact OD1-N 3.05Å; D66-S68 PolarHBondContact OD1-OG 2.92Å; D66-S68 PolarHBondContact OD2-OG 3.34Å | ||
| 69 | M | 39.4 | Very low | 44.5 | Very low | 75 Ų | 75 | 88.5 Ų | 88.5 | 37% | 0.369 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 120.2 | -178.7 | -62.7 | -64.4 | -62.5 | 0 | 0 | 109.7 | P61 Q63 Y71 | P61-M69 HydrophobicContact CB-CE 3.63Å; Q63-M69 HydrophobicContact CB-CE 4.45Å; Q63-M69 HydrophobicContact CB-SD 3.62Å; Q63-M69 HydrophobicContact CG-SD 3.59Å; Q63-M69 VanDerWaalsContact CG-SD 3.59Å; M69-Y71 HydrophobicContact CB-CE2 4.45Å |
| 70 | A | 45.4 | Very low | 44.1 | Very low | 6 Ų | 6 | 93.6 Ų | 93.6 | 5% | 0.05 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 150.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | V62 L64 I98 | V62-A70 PolarHBondContact N-O 2.98Å; V62-A70 PolarHBondContact O-N 3.33Å; L64-A70 HydrophobicContact CD1-CB 4.06Å; L64-A70 HydrophobicContact CD2-CB 4.3Å; L64-A70 HydrophobicContact CG-CB 4.09Å; A70-I98 HydrophobicContact CB-CG2 4.39Å |
| 71 | Y | 48.8 | Very low | 43.9 | Very low | 113 Ų | 113 | 95.2 Ų | 95.2 | 44% | 0.443 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 126.9 | 177.2 | -63.4 | -94.2 | 0 | 0 | 0 | 108.3 | P61 M69 | P61-Y71 HydrophobicContact CB-CD1 4.03Å; P61-Y71 HydrophobicContact CB-CE1 3.67Å; M69-Y71 HydrophobicContact CB-CE2 4.45Å |
| 72 | I | 51.9 | Low | 44 | Very low | 45 Ų | 45 | 97.2 Ų | 97.2 | 23% | 0.231 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 122.5 | -177.3 | -57.8 | 176.4 | 0 | 0 | 0 | 108.8 | F56 G59 Q60 V62 | F56-I72 HydrophobicContact CG-CD1 4.48Å; G59-I72 PolarHBondContact N-O 3.28Å; Q60-I72 PolarHBondContact O-N 3.26Å; V62-I72 HydrophobicContact CG2-CD1 3.82Å; V62-I72 HydrophobicContact CG2-CG1 4.35Å |
| 73 | H | 51.3 | Low | 43.9 | Very low | 52 Ų | 52 | 99.7 Ų | 99.7 | 24% | 0.241 | 53% | 0.53 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 135.3 | 175.4 | -69.7 | -66.3 | 0 | 0 | 0 | 112.1 | D58 | D58-H73 VanDerWaalsContact OD1-CA 3.24Å; D58-H73 WeakPolarHBondContact OD1-CA 3.44Å; D58-H73 IonicContact OD1-ND1 3.47Å; D58-H73 PolarHBondContact OD1-ND1 2.81Å; D58-H73 IonicContact OD2-ND1 3.95Å |
| 74 | R | 46.4 | Very low | 44.3 | Very low | 161 Ų | 161 | 95.9 Ų | 95.9 | 61% | 0.608 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -85.4 | -17.9 | 178.7 | -68.7 | -173.6 | -178.7 | -156.8 | 1.6 | 113.7 | F56 D58 | F56-R74 PolarHBondContact O-NE 2.85Å; F56-R74 PolarHBondContact O-NH2 3.26Å; D58-R74 PolarHBondContact OD1-N 3.25Å |
| 75 | T | 47.5 | Very low | 44.5 | Very low | 87 Ų | 87 | 95.1 Ų | 95.1 | 53% | 0.534 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -137.8 | 138.6 | 176.3 | 51.4 | 0 | 0 | 0 | 0 | 110 | K77 | T75-K77 PolarHBondContact O-N 2.95Å; T75-K77 VanDerWaalsContact O-N 3.09Å |
| 76 | P | 43.6 | Very low | 45.2 | Very low | 80 Ų | 80 | 91.2 Ų | 91.2 | 52% | 0.519 | 49% | 0.494 | S | S | . | . | trans | -64.9 | 114.6 | 175.3 | 25.9 | -29.7 | 0 | 0 | 0 | 108.6 | E78 Y97 | P76-E78 PolarHBondContact O-N 2.76Å; P76-Y97 HydrophobicContact CB-CE2 4.36Å; P76-Y97 HydrophobicContact CG-CE2 4.22Å | ||
| 77 | K | 42.7 | Very low | 45.5 | Very low | 142 Ų | 142 | 88.1 Ų | 88.1 | 62% | 0.617 | 49% | 0.486 | S | S | * | . | trans | -66.1 | 125.7 | 169.1 | -99.9 | 179.8 | 173.8 | 174 | 0 | 108.4 | T75 G79 Y80 | T75-K77 PolarHBondContact O-N 2.95Å; T75-K77 VanDerWaalsContact O-N 3.09Å; K77-G79 PolarHBondContact O-N 3.31Å; K77-Y80 HydrophobicContact CB-CD2 4.35Å; K77-Y80 HydrophobicContact CB-CE2 4.43Å | ||
| 78 | E | 40 | Very low | 45.9 | Very low | 204 Ų | 204 | 88.6 Ų | 88.6 | 95% | 0.953 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 123.7 | 173.3 | -71.1 | -176.5 | 158.7 | 0 | 0 | 109.5 | P76 | P76-E78 PolarHBondContact O-N 2.76Š|
| 79 | G | 43.9 | Very low | 45.6 | Very low | 81 Ų | 81 | 94.1 Ų | 94.1 | 84% | 0.835 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 126.3 | -5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | K77 | K77-G79 PolarHBondContact O-N 3.31Š|
| 80 | Y | 44.1 | Very low | 45.8 | Very low | 136 Ų | 136 | 94.5 Ų | 94.5 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -97.8 | 132.6 | 172.6 | -74.2 | -83.6 | 0 | 0 | 0 | 111.9 | K77 P82 | K77-Y80 HydrophobicContact CB-CD2 4.35Å; K77-Y80 HydrophobicContact CB-CE2 4.43Å; Y80-P82 WeakPolarHBondContact O-CD 3.37Å |
| 81 | D | 41.5 | Very low | 45.4 | Very low | 111 Ų | 111 | 103.7 Ų | 103.7 | 59% | 0.594 | 55% | 0.547 | S | S | * | . | trans | -63.5 | 121.4 | 177.8 | -152.3 | -21.5 | 0 | 0 | 0 | 109.3 | S83 T84 | D81-S83 PolarHBondContact O-N 3.26Å; D81-T84 PolarHBondContact O-N 3.39Å; D81-T84 PolarHBondContact O-OG1 3.38Å | ||
| 82 | P | 45.6 | Very low | 44.7 | Very low | 111 Ų | 111 | 103.9 Ų | 103.9 | 72% | 0.721 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -7.4 | -172.5 | -24 | 32.7 | 0 | 0 | 0 | 115.4 | Y80 | Y80-P82 WeakPolarHBondContact O-CD 3.37Š|
| 83 | S | 47.1 | Very low | 43.9 | Very low | 97 Ų | 97 | 104.6 Ų | 104.6 | 68% | 0.678 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -11.1 | -177.3 | 59.6 | 0 | 0 | 0 | 0 | 114.8 | D81 | D81-S83 PolarHBondContact O-N 3.26Š|
| 84 | T | 48.2 | Very low | 43.4 | Very low | 57 Ų | 57 | 105 Ų | 105 | 35% | 0.35 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -107.3 | 4.4 | -179.4 | 59 | 0 | 0 | 0 | 0 | 114.3 | D81 | D81-T84 PolarHBondContact O-N 3.39Å; D81-T84 PolarHBondContact O-OG1 3.38Å |
| 85 | L | 51.2 | Low | 43.2 | Very low | 48 Ų | 48 | 99.5 Ų | 99.5 | 25% | 0.251 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.4 | 123 | -176.2 | -64.4 | 170 | 0 | 0 | 0 | 110.2 | Y97 H99 | L85-Y97 HydrophobicContact CB-CD1 4.3Å; L85-H99 HydrophobicContact CD2-CB 4.34Å |
| 86 | E | 50.7 | Low | 43 | Very low | 110 Ų | 110 | 95.9 Ų | 95.9 | 51% | 0.514 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 112.6 | 167.1 | -168.3 | 171.8 | 178.4 | 0 | 0 | 108.6 | V88 I98 H100 | E86-V88 HydrophobicContact CG-CG2 4.43Å; E86-I98 PolarHBondContact N-O 3.14Å; E86-I98 PolarHBondContact O-N 2.8Å; E86-H100 IonicContact OE2-CE1 3.12Å; E86-H100 PolarHBondContact OE2-CE1 3.32Å; E86-H100 IonicContact OE2-ND1 3.62Å |
| 87 | A | 45.7 | Very low | 43.2 | Very low | 60 Ų | 60 | 95.1 Ų | 95.1 | 50% | 0.496 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 114.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | T95 Y97 | A87-T95 HydrophobicContact CB-CG2 3.8Å; A87-Y97 HydrophobicContact CB-CD1 3.93Å; A87-Y97 HydrophobicContact CB-CE1 3.8Å |
| 88 | V | 46.6 | Very low | 43.4 | Very low | 54 Ų | 54 | 90.6 Ų | 90.6 | 33% | 0.327 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 123.4 | 177.7 | -178.3 | 0 | 0 | 0 | 0 | 109 | E86 A96 I98 | E86-V88 HydrophobicContact CG-CG2 4.43Å; V88-A96 PolarHBondContact N-O 3.41Å; V88-A96 PolarHBondContact O-N 3.44Å; V88-I98 HydrophobicContact CB-CD1 4.42Å; V88-I98 HydrophobicContact CG2-CD1 3.67Å; V88-I98 HydrophobicContact CG2-CG1 4.29Å |
| 89 | Q | 35.5 | Very low | 43.6 | Very low | 146 Ų | 146 | 84.1 Ų | 84.1 | 68% | 0.682 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 122.9 | 173.8 | -130.8 | 112.3 | 45.9 | 0 | 0 | 109.1 | T95 | Q89-T95 PolarHBondContact NE2-OG1 3.49Å |
| 90 | L | 43.2 | Very low | 43.6 | Very low | 83 Ų | 83 | 83.9 Ų | 83.9 | 44% | 0.435 | 46% | 0.462 | S | S | . | . | trans | -83.4 | 156.1 | 173.3 | -61 | 177.9 | 0 | 0 | 0 | 110 | D92 G93 S94 A96 | L90-D92 WeakPolarHBondContact CB-OD1 3.38Å; L90-D92 PolarHBondContact O-N 2.85Å; L90-D92 VanDerWaalsContact O-N 3.08Å; L90-G93 PolarHBondContact O-N 2.81Å; L90-S94 WeakPolarHBondContact CB-O 3.26Å; L90-S94 PolarHBondContact N-O 3.01Å; L90-A96 HydrophobicContact CD1-CB 4.01Å; L90-A96 HydrophobicContact CD2-CB 4.42Å; L90-A96 HydrophobicContact CG-CB 4.11Å | ||
| 91 | E | 37.2 | Very low | 43.1 | Very low | 199 Ų | 199 | 81.2 Ų | 81.2 | 93% | 0.93 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -10.1 | -175.7 | -67.7 | -179.4 | 165.6 | 0 | 0 | 113.7 | ||
| 92 | D | 34.3 | Very low | 42.8 | Very low | 118 Ų | 118 | 81.2 Ų | 81.2 | 63% | 0.631 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -1.1 | 172.1 | 69.5 | -2.2 | 0 | 0 | 0 | 113.8 | L90 S94 | L90-D92 WeakPolarHBondContact CB-OD1 3.38Å; L90-D92 PolarHBondContact O-N 2.85Å; L90-D92 VanDerWaalsContact O-N 3.08Å; D92-S94 WeakPolarHBondContact OD1-CB 3.36Å; D92-S94 PolarHBondContact OD1-N 2.87Å; D92-S94 PolarHBondContact OD1-OG 3.16Å; D92-S94 VanDerWaalsContact OD1-OG 3.05Å; D92-S94 PolarHBondContact OD2-OG 3.44Å |
| 93 | G | 36 | Very low | 42.2 | Very low | 60 Ų | 60 | 80.3 Ų | 80.3 | 62% | 0.619 | 47% | 0.467 | S | S | * | . | S | Bend | trans | 89.6 | 1.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L90 | L90-G93 PolarHBondContact O-N 2.81Š|
| 94 | S | 40.9 | Very low | 41.2 | Very low | 61 Ų | 61 | 80.2 Ų | 80.2 | 43% | 0.427 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -87.4 | 147.8 | 177.2 | -48.9 | 0 | 0 | 0 | 0 | 111.6 | L90 D92 | L90-S94 WeakPolarHBondContact CB-O 3.26Å; L90-S94 PolarHBondContact N-O 3.01Å; D92-S94 WeakPolarHBondContact OD1-CB 3.36Å; D92-S94 PolarHBondContact OD1-N 2.87Å; D92-S94 PolarHBondContact OD1-OG 3.16Å; D92-S94 VanDerWaalsContact OD1-OG 3.05Å; D92-S94 PolarHBondContact OD2-OG 3.44Å |
| 95 | T | 41.2 | Very low | 40.3 | Very low | 44 Ų | 44 | 82.2 Ų | 82.2 | 27% | 0.27 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 117.4 | 177.6 | -44.2 | 0 | 0 | 0 | 0 | 110.1 | A87 Q89 Y97 | A87-T95 HydrophobicContact CB-CG2 3.8Å; Q89-T95 PolarHBondContact NE2-OG1 3.49Å; T95-Y97 HydrophobicContact CG2-CE1 4.42Å; T95-Y97 HydrophobicContact CG2-CE2 4.38Å |
| 96 | A | 43.2 | Very low | 39.4 | Very low | 11 Ų | 11 | 86 Ų | 86 | 9% | 0.091 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 139.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | V88 L90 | V88-A96 PolarHBondContact N-O 3.41Å; V88-A96 PolarHBondContact O-N 3.44Å; L90-A96 HydrophobicContact CD1-CB 4.01Å; L90-A96 HydrophobicContact CD2-CB 4.42Å; L90-A96 HydrophobicContact CG-CB 4.11Å |
| 97 | Y | 48.7 | Very low | 38.6 | Very low | 65 Ų | 65 | 89.8 Ų | 89.8 | 26% | 0.255 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 118.7 | 179.9 | -61.6 | -89.1 | 0 | 0 | 0 | 109.9 | P76 L85 A87 T95 | P76-Y97 HydrophobicContact CB-CE2 4.36Å; P76-Y97 HydrophobicContact CG-CE2 4.22Å; L85-Y97 HydrophobicContact CB-CD1 4.3Å; A87-Y97 HydrophobicContact CB-CD1 3.93Å; A87-Y97 HydrophobicContact CB-CE1 3.8Å; T95-Y97 HydrophobicContact CG2-CE1 4.42Å; T95-Y97 HydrophobicContact CG2-CE2 4.38Å |
| 98 | I | 47.7 | Very low | 37.8 | Very low | 46 Ų | 46 | 90.4 Ų | 90.4 | 24% | 0.236 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 122.4 | 179.7 | -55 | 178.8 | 0 | 0 | 0 | 108.7 | A70 E86 V88 | A70-I98 HydrophobicContact CB-CG2 4.39Å; E86-I98 PolarHBondContact N-O 3.14Å; E86-I98 PolarHBondContact O-N 2.8Å; V88-I98 HydrophobicContact CB-CD1 4.42Å; V88-I98 HydrophobicContact CG2-CD1 3.67Å; V88-I98 HydrophobicContact CG2-CG1 4.29Å |
| 99 | H | 44.3 | Very low | 37.3 | Very low | 69 Ų | 69 | 94.4 Ų | 94.4 | 32% | 0.319 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 102.1 | 175.6 | -175.5 | -77 | 0 | 0 | 0 | 110 | L85 | L85-H99 HydrophobicContact CD2-CB 4.34Å |
| 100 | H | 44 | Very low | 36.9 | Very low | 75 Ų | 75 | 94 Ų | 94 | 35% | 0.347 | 55% | 0.551 | S | S | . | * | trans | -81.8 | 124.3 | 172.8 | -65.9 | 95.1 | 0 | 0 | 0 | 109.6 | E86 V102 | E86-H100 IonicContact OE2-CE1 3.12Å; E86-H100 PolarHBondContact OE2-CE1 3.32Å; E86-H100 IonicContact OE2-ND1 3.62Å; H100-V102 PolarHBondContact O-N 3.33Å | ||
| 101 | P | 33 | Very low | 36.1 | Very low | 80 Ų | 80 | 97.5 Ų | 97.5 | 52% | 0.519 | 57% | 0.569 | S | S | . | * | trans | -65.5 | 106.6 | 168.1 | 25.1 | -28.9 | 0 | 0 | 0 | 108.6 | A103 | P101-A103 PolarHBondContact O-N 3.38Š| ||
| 102 | V | 34.3 | Very low | 35.7 | Very low | 111 Ų | 111 | 92.4 Ų | 92.4 | 67% | 0.673 | 56% | 0.561 | S | S | * | * | trans | -58.9 | 108.8 | 179.1 | 177.3 | 0 | 0 | 0 | 0 | 109.3 | H100 V104 | H100-V102 PolarHBondContact O-N 3.33Å; V102-V104 PolarHBondContact O-N 2.92Å | ||
| 103 | A | 33.4 | Very low | 35.2 | Very low | 92 Ų | 92 | 93.3 Ų | 93.3 | 76% | 0.76 | 57% | 0.571 | S | S | * | * | trans | -70.3 | 105.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | P101 P105 | P101-A103 PolarHBondContact O-N 3.38Å; A103-P105 WeakPolarHBondContact O-CD 3.34Å | ||
| 104 | V | 26.8 | Very low | 34.6 | Very low | 96 Ų | 96 | 98.9 Ų | 98.9 | 58% | 0.582 | 58% | 0.58 | S | S | * | * | trans | -71.1 | 120.8 | 177.9 | -167.1 | 0 | 0 | 0 | 0 | 108.8 | V102 | V102-V104 PolarHBondContact O-N 2.92Š| ||
| 105 | P | 28.6 | Very low | 34.1 | Very low | 98 Ų | 98 | 102 Ų | 102 | 64% | 0.636 | 60% | 0.597 | S | S | * | * | trans | -63.7 | 147.9 | 172 | -15.7 | 29.6 | 0 | 0 | 0 | 110.3 | A103 E107 | A103-P105 WeakPolarHBondContact O-CD 3.34Å; P105-E107 PolarHBondContact O-N 2.9Å | ||
| 106 | S | 32 | Very low | 33.5 | Very low | 127 Ų | 127 | 108 Ų | 108 | 89% | 0.888 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -67 | 7.8 | -162.4 | -41.2 | 0 | 0 | 0 | 0 | 117.5 | ||
| 107 | E | 34.8 | Very low | 32.8 | Very low | 191 Ų | 191 | 114.4 Ų | 114.4 | 89% | 0.893 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -147.1 | 63.8 | 179.8 | -70.5 | -153.1 | 166.2 | 0 | 0 | 114.5 | P105 | P105-E107 PolarHBondContact O-N 2.9Š|
| 108 | S | 28.4 | Very low | 31.7 | Very low | 73 Ų | 73 | 114.5 Ų | 114.5 | 51% | 0.51 | 68% | 0.681 | S | S | . | * | trans | -141.6 | 114.2 | 164.1 | 49 | 0 | 0 | 0 | 0 | 112.4 | I110 | S108-I110 PolarHBondContact O-N 3.45Š| ||
| 109 | T | 36.8 | Very low | 30.8 | Very low | 137 Ų | 137 | 120.8 Ų | 120.8 | 84% | 0.84 | 71% | 0.714 | S | S | * | * | trans | -66.8 | 116.4 | 169.9 | -47.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 110 | I | 26 | Very low | 30.1 | Very low | 137 Ų | 137 | 126 Ų | 126 | 70% | 0.703 | 74% | 0.738 | S | S | * | * | trans | -101.6 | 113 | 169.6 | -60.3 | -179.9 | 0 | 0 | 0 | 108.7 | S108 | S108-I110 PolarHBondContact O-N 3.45Š| ||
| 111 | L | 27.2 | Very low | 29.2 | Very low | 157 Ų | 157 | 129.4 Ų | 129.4 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | trans | -66.5 | 132.3 | 166.5 | -83.8 | 143.2 | 0 | 0 | 0 | 109.9 | ||||
| 112 | A | 27.4 | Very low | 29 | Very low | 92 Ų | 92 | 134.3 Ų | 134.3 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | trans | 55.4 | 124.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 113 | V | 24.8 | Very low | 28.6 | Very low | 137 Ų | 137 | 134 Ų | 134 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | trans | -122.7 | 114.3 | 155.4 | 175.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 114 | Q | 24.1 | Very low | 28.5 | Very low | 177 Ų | 177 | 133.9 Ų | 133.9 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | trans | -63 | 139.9 | 164.9 | -89.1 | 156 | -56.3 | 0 | 0 | 109.7 | ||||
| 115 | T | 29.6 | Very low | 28.8 | Very low | 127 Ų | 127 | 137.1 Ų | 137.1 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -84.1 | 122 | 175.2 | 46.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 116 | E | 28.3 | Very low | 28.9 | Very low | 171 Ų | 171 | 138.6 Ų | 138.6 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | trans | -142.1 | 94.9 | 160.4 | -61.6 | -79.3 | 158.8 | 0 | 0 | 109.7 | ||||
| 117 | V | 29.6 | Very low | 29 | Very low | 144 Ų | 144 | 138.7 Ų | 138.7 | 87% | 0.873 | 79% | 0.79 | S | S | * | * | trans | 48.3 | 134.9 | 134.3 | -159 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 118 | G | 24.8 | Very low | 29.2 | Very low | 68 Ų | 68 | 137.9 Ų | 137.9 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | trans | 154.3 | 71.3 | 157.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 119 | L | 28.3 | Very low | 29.1 | Very low | 178 Ų | 178 | 137 Ų | 137 | 93% | 0.932 | 79% | 0.788 | S | S | * | * | trans | -144.3 | 76.4 | 170.7 | -131.1 | 136 | 0 | 0 | 0 | 110.5 | ||||
| 120 | E | 29.1 | Very low | 28.7 | Very low | 178 Ų | 178 | 140.5 Ų | 140.5 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -125.4 | 121.5 | 158.1 | -61.4 | 177.6 | -178.8 | 0 | 0 | 102.5 | ||||
| 121 | D | 25.9 | Very low | 29.1 | Very low | 147 Ų | 147 | 139.8 Ų | 139.8 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | -158.4 | 135.5 | 69.5 | -72.4 | -43 | 0 | 0 | 0 | 111.5 | |||||
| 122 | L | 28.3 | Very low | 29.7 | Very low | 182 Ų | 182 | 135.8 Ų | 135.8 | 95% | 0.953 | 78% | 0.78 | S | S | * | * | trans | 172.1 | 64.2 | 131.4 | -85.6 | -174.3 | 0 | 0 | 0 | 106.9 | ||||
| 123 | A | 27.2 | Very low | 30.2 | Very low | 105 Ų | 105 | 137.4 Ų | 137.4 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | trans | -128.7 | 107 | 159.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 124 | A | 30.1 | Very low | 31 | Very low | 90 Ų | 90 | 135.2 Ų | 135.2 | 74% | 0.744 | 76% | 0.762 | S | S | * | * | trans | -124 | 132.7 | 154.9 | 0 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 125 | E | 32.9 | Very low | 32 | Very low | 163 Ų | 163 | 131 Ų | 131 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | cis | -160.8 | 145.4 | 0.3 | -103.7 | 168.7 | -175.1 | 0 | 0 | 104.4 | ||||
| 126 | D | 31.5 | Very low | 32.7 | Very low | 130 Ų | 130 | 128.8 Ų | 128.8 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | trans | 61.4 | 138.7 | 142.1 | -48.2 | -16.3 | 0 | 0 | 0 | 120 | ||||
| 127 | D | 35 | Very low | 33.2 | Very low | 128 Ų | 128 | 123.7 Ų | 123.7 | 68% | 0.684 | 72% | 0.722 | S | S | * | * | cis | -164.6 | 150.8 | 10.2 | -120.1 | -16.8 | 0 | 0 | 0 | 112.2 | ||||
| 128 | E | 37.3 | Very low | 33.7 | Very low | 175 Ų | 175 | 123 Ų | 123 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | trans | 57.4 | 129.5 | 149.5 | -61.5 | -64.1 | 137.2 | 0 | 0 | 122.1 | ||||
| 129 | G | 27.1 | Very low | 34.5 | Very low | 53 Ų | 53 | 126 Ų | 126 | 55% | 0.546 | 71% | 0.708 | S | S | . | * | cis | -178.7 | 155.5 | 3.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 130 | F | 28.1 | Very low | 35 | Very low | 212 Ų | 212 | 124.2 Ų | 124.2 | 93% | 0.93 | 70% | 0.695 | S | S | * | * | trans | -145.1 | 134.4 | 165.5 | -98.2 | -82.6 | 0 | 0 | 0 | 111.5 | ||||
| 131 | N | 33.7 | Very low | 35.4 | Very low | 121 Ų | 121 | 123.9 Ų | 123.9 | 65% | 0.647 | 69% | 0.688 | S | S | * | * | trans | -78.1 | 150.6 | -159.4 | -145.5 | -9.8 | 0 | 0 | 0 | 114.6 | D133 T134 | N131-D133 PolarHBondContact O-N 3.07Å; N131-T134 PolarHBondContact O-OG1 3.43Å | ||
| 132 | A | 40.2 | Very low | 36.1 | Very low | 73 Ų | 73 | 119.9 Ų | 119.9 | 60% | 0.603 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -1.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | T134 | A132-T134 PolarHBondContact O-N 3.25Š|
| 133 | D | 38.7 | Very low | 36.8 | Very low | 127 Ų | 127 | 116 Ų | 116 | 68% | 0.679 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -80.9 | -12.2 | -177.6 | -67.7 | -35.1 | 0 | 0 | 0 | 114.1 | N131 | N131-D133 PolarHBondContact O-N 3.07Å |
| 134 | T | 42 | Very low | 37.4 | Very low | 90 Ų | 90 | 119.8 Ų | 119.8 | 55% | 0.552 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -83.8 | -22.9 | -178.3 | 49.4 | 0 | 0 | 0 | 0 | 113.8 | N131 A132 | N131-T134 PolarHBondContact O-OG1 3.43Å; A132-T134 PolarHBondContact O-N 3.25Å |
| 135 | V | 44.8 | Very low | 38 | Very low | 89 Ų | 89 | 120.3 Ų | 120.3 | 54% | 0.539 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -75 | -38.2 | -179.6 | -179.7 | 0 | 0 | 0 | 0 | 110.8 | A137 L138 E139 | V135-A137 VanDerWaalsContact C-N 3.33Å; V135-A137 PolarHBondContact O-N 3.46Å; V135-L138 PolarHBondContact O-N 2.77Å; V135-E139 PolarHBondContact O-N 3.07Å |
| 136 | V | 43.5 | Very low | 38.4 | Very low | 81 Ų | 81 | 119.6 Ų | 119.6 | 49% | 0.491 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -70.3 | -29.1 | 179.4 | -177.9 | 0 | 0 | 0 | 0 | 112.2 | ||
| 137 | A | 39.1 | Very low | 38.6 | Very low | 63 Ų | 63 | 121.8 Ų | 121.8 | 52% | 0.521 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -72.3 | -27.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V135 | V135-A137 VanDerWaalsContact C-N 3.33Å; V135-A137 PolarHBondContact O-N 3.46Å |
| 138 | L | 40.8 | Very low | 38.4 | Very low | 129 Ų | 129 | 123.2 Ų | 123.2 | 68% | 0.675 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -80.4 | -32.8 | 179.4 | -82.4 | 159.8 | 0 | 0 | 0 | 112.6 | V135 Y141 A142 | V135-L138 PolarHBondContact O-N 2.77Å; L138-Y141 PolarHBondContact O-N 3.43Å; L138-A142 PolarHBondContact O-N 3.27Å |
| 139 | E | 41.4 | Very low | 38.2 | Very low | 131 Ų | 131 | 120.5 Ų | 120.5 | 61% | 0.612 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -71.4 | -33.1 | 177.1 | -69.7 | -174.8 | 156.5 | 0 | 0 | 112.8 | V135 Y141 S143 | V135-E139 PolarHBondContact O-N 3.07Å; E139-Y141 VanDerWaalsContact C-N 3.33Å; E139-Y141 PolarHBondContact O-N 3.01Å; E139-S143 PolarHBondContact O-N 3.38Å; E139-S143 PolarHBondContact O-OG 3.4Å |
| 140 | Q | 39 | Very low | 38.5 | Very low | 141 Ų | 141 | 127 Ų | 127 | 66% | 0.659 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -71.5 | -26.8 | 176.1 | -70.8 | -177.4 | -2.5 | 0 | 0 | 113.1 | ||
| 141 | Y | 37.1 | Very low | 38.6 | Very low | 172 Ų | 172 | 124.9 Ų | 124.9 | 68% | 0.675 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -78.3 | -37.2 | 176 | -168.9 | -99.3 | 0 | 0 | 0 | 111.9 | L138 E139 S143 K144 V145 | L138-Y141 PolarHBondContact O-N 3.43Å; E139-Y141 VanDerWaalsContact C-N 3.33Å; E139-Y141 PolarHBondContact O-N 3.01Å; Y141-S143 VanDerWaalsContact C-N 3.29Å; Y141-S143 PolarHBondContact O-N 3.44Å; Y141-K144 PolarHBondContact O-N 3.28Å; Y141-V145 HydrophobicContact CE1-CG2 4.42Å |
| 142 | A | 40.5 | Very low | 38.6 | Very low | 63 Ų | 63 | 124.6 Ų | 124.6 | 52% | 0.521 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -64.3 | -30.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L138 K144 | L138-A142 PolarHBondContact O-N 3.27Å; A142-K144 VanDerWaalsContact C-N 3.35Å; A142-K144 PolarHBondContact O-N 2.94Å |
| 143 | S | 42.3 | Very low | 38.3 | Very low | 99 Ų | 99 | 130.1 Ų | 130.1 | 69% | 0.692 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -13.6 | -179.9 | -60.8 | 0 | 0 | 0 | 0 | 114.2 | E139 Y141 | E139-S143 PolarHBondContact O-N 3.38Å; E139-S143 PolarHBondContact O-OG 3.4Å; Y141-S143 VanDerWaalsContact C-N 3.29Å; Y141-S143 PolarHBondContact O-N 3.44Å |
| 144 | K | 40.8 | Very low | 37.8 | Very low | 185 Ų | 185 | 132.1 Ų | 132.1 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -12.3 | -176.9 | -107.5 | 177.2 | 179.9 | 174.4 | 0 | 115 | Y141 A142 | Y141-K144 PolarHBondContact O-N 3.28Å; A142-K144 VanDerWaalsContact C-N 3.35Å; A142-K144 PolarHBondContact O-N 2.94Å |
| 145 | V | 42.9 | Very low | 37.1 | Very low | 102 Ų | 102 | 131 Ų | 131 | 62% | 0.618 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -98.9 | -4.3 | -173 | -172.6 | 0 | 0 | 0 | 0 | 112.8 | Y141 | Y141-V145 HydrophobicContact CE1-CG2 4.42Š|
| 146 | L | 39.6 | Very low | 36.7 | Very low | 147 Ų | 147 | 137.1 Ų | 137.1 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -104.8 | 34.8 | -176.7 | -67.2 | 178.2 | 0 | 0 | 0 | 114.7 | ||
| 147 | H | 36.3 | Very low | 36 | Very low | 177 Ų | 177 | 136.4 Ų | 136.4 | 82% | 0.819 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -136.9 | 26.3 | 178.4 | -109.2 | 67.9 | 0 | 0 | 0 | 116.7 | ||
| 148 | D | 31.7 | Very low | 35.9 | Very low | 158 Ų | 158 | 142.3 Ų | 142.3 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | trans | -149.3 | 108.3 | 167.2 | -124.5 | -16.5 | 0 | 0 | 0 | 112.9 | ||||
| 149 | S | 32.6 | Very low | 35.6 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | 153.2 | 94.1 | 138.5 | -67.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 150 | Q | 34.3 | Very low | 35.5 | Very low | 190 Ų | 190 | 144.4 Ų | 144.4 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | trans | -81.5 | 168.5 | 154.8 | -78.1 | 175.4 | -17.2 | 0 | 0 | 110.2 | ||||
| 151 | I | 30.3 | Very low | 36 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | trans | 93.1 | 147.7 | 170.5 | 6.9 | -168.4 | 0 | 0 | 0 | 119.2 | ||||
| 152 | P | 33.7 | Very low | 37 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | -127.2 | 173.5 | -97.4 | 42.8 | -26 | 0 | 0 | 0 | 114.8 | |||||
| 153 | H | 34 | Very low | 37.9 | Very low | 188 Ų | 188 | 147.9 Ų | 147.9 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | trans | -42 | 142.3 | 176.1 | -80.6 | -89 | 0 | 0 | 0 | 117.2 | ||||
| 154 | N | 26.9 | Very low | 39.7 | Very low | 169 Ų | 169 | 145.5 Ų | 145.5 | 90% | 0.904 | 78% | 0.784 | S | S | * | * | -171.8 | 136 | 112.4 | -151.2 | 2.5 | 0 | 0 | 0 | 111.9 | |||||
| 155 | G | 27.4 | Very low | 41.8 | Very low | 66 Ų | 66 | 140.9 Ų | 140.9 | 68% | 0.68 | 76% | 0.764 | S | S | * | * | trans | 142.3 | 104.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | G157 | G155-G157 PolarHBondContact O-N 2.96Š| ||
| 156 | K | 36.4 | Very low | 43.9 | Very low | 219 Ų | 219 | 143.7 Ų | 143.7 | 95% | 0.952 | 76% | 0.763 | S | S | * | * | trans | -55.3 | 121 | -177.3 | -61.8 | 176.5 | 178.5 | -179.2 | 0 | 112.4 | ||||
| 157 | G | 29.6 | Very low | 46.4 | Very low | 66 Ų | 66 | 136.9 Ų | 136.9 | 68% | 0.68 | 73% | 0.728 | S | S | * | * | trans | -158.9 | 124.6 | 171 | 0 | 0 | 0 | 0 | 0 | 110.1 | G155 Q159 | G155-G157 PolarHBondContact O-N 2.96Å; G157-Q159 PolarHBondContact O-N 2.76Å | ||
| 158 | Q | 35.7 | Very low | 48.7 | Very low | 186 Ų | 186 | 131.9 Ų | 131.9 | 87% | 0.869 | 73% | 0.725 | S | S | * | * | trans | -33.8 | 115.4 | 177.6 | -149.4 | 106.4 | -10.1 | 0 | 0 | 113 | V160 | Q158-V160 PolarHBondContact O-N 2.86Š| ||
| 159 | Q | 35.9 | Very low | 51.4 | Low | 188 Ų | 188 | 130.6 Ų | 130.6 | 88% | 0.879 | 71% | 0.709 | S | S | * | * | trans | -65.4 | 117 | 171.9 | -78.7 | -175.3 | -18.4 | 0 | 0 | 109.3 | G157 | G157-Q159 PolarHBondContact O-N 2.76Š| ||
| 160 | V | 38.7 | Very low | 54 | Low | 117 Ų | 117 | 134.5 Ų | 134.5 | 71% | 0.709 | 71% | 0.711 | S | S | * | * | trans | -101.5 | 125.3 | 167 | 179 | 0 | 0 | 0 | 0 | 106.2 | Q158 | Q158-V160 PolarHBondContact O-N 2.86Š| ||
| 161 | G | 48.4 | Very low | 56.4 | Low | 60 Ų | 60 | 129.6 Ų | 129.6 | 62% | 0.619 | 71% | 0.711 | S | S | * | * | trans | -44.9 | 145.1 | -161 | 0 | 0 | 0 | 0 | 0 | 118.4 | R163 | G161-R163 VanDerWaalsContact C-N 3.26Å; G161-R163 PolarHBondContact O-N 3.3Å | ||
| 162 | D | 58.7 | Low | 59.1 | Low | 164 Ų | 164 | 123 Ų | 123 | 88% | 0.877 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -66.4 | 21.9 | -164.5 | -84.4 | -33.1 | 0 | 0 | 0 | 118.5 | ||
| 163 | R | 60 | Low | 61.5 | Low | 225 Ų | 225 | 119.3 Ų | 119.3 | 85% | 0.849 | 66% | 0.663 | S | S | * | * | trans | -142.1 | 43.5 | 174.2 | -76.6 | -171.6 | 173.1 | 155.5 | -4.2 | 114.7 | G161 | G161-R163 VanDerWaalsContact C-N 3.26Å; G161-R163 PolarHBondContact O-N 3.3Å | ||
| 164 | A | 79.4 | Confident | 64.1 | Low | 49 Ų | 49 | 117.6 Ų | 117.6 | 41% | 0.405 | 65% | 0.649 | S | S | . | * | trans | -92.1 | 117.5 | 171 | 0 | 0 | 0 | 0 | 0 | 111.5 | R166 L175 Y176 | A164-R166 PolarHBondContact O-N 3.39Å; A164-L175 HydrophobicContact CB-CB 4.24Å; A164-L175 HydrophobicContact CB-CD1 4.36Å; A164-L175 HydrophobicContact CB-CD2 4.21Å; A164-Y176 CarbonylContact C-O 3.51Å | ||
| 165 | F | 84.4 | Confident | 67.1 | Low | 88 Ų | 88 | 113.6 Ų | 113.6 | 39% | 0.386 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.9 | 111.7 | 171.6 | -65.5 | -87.5 | 0 | 0 | 0 | 109.5 | L175 Y176 A179 L182 | F165-L175 CarbonylContact O-C 3.5Å; F165-L175 WeakPolarHBondContact O-CA 3.43Å; F165-Y176 PolarHBondContact N-O 3.12Å; F165-Y176 PolarHBondContact O-N 3.03Å; F165-A179 HydrophobicContact CD1-CB 4.04Å; F165-A179 VanDerWaalsContact CD2-N 3.33Å; F165-A179 HydrophobicContact CE1-CB 3.71Å; F165-A179 HydrophobicContact CE2-CB 4.29Å; F165-A179 VanDerWaalsContact CE2-N 3.31Å; F165-A179 HydrophobicContact CG-CB 4.47Å; F165-A179 HydrophobicContact CZ-CB 3.84Å; F165-L182 HydrophobicContact CB-CB 3.97Å; F165-L182 HydrophobicContact CB-CD2 3.71Å; F165-L182 HydrophobicContact CB-CG 4.4Å |
| 166 | R | 88.7 | Confident | 70.1 | Confident | 160 Ų | 160 | 112.5 Ų | 112.5 | 60% | 0.604 | 60% | 0.603 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.7 | 134.4 | 179.7 | -178.1 | -176 | -65.6 | -82.2 | 2.9 | 110.9 | A164 G168 R174 L175 | A164-R166 PolarHBondContact O-N 3.39Å; R166-G168 PolarHBondContact O-N 3.11Å; R166-R174 WeakPolarHBondContact CA-O 3.4Å; R166-L175 HydrophobicContact CB-CD2 3.71Å; R166-L175 HydrophobicContact CG-CD2 3.98Å |
| 167 | C | 90.7 | Very high | 72.6 | Confident | 4 Ų | 4 | 107.9 Ų | 107.9 | 3% | 0.027 | 59% | 0.593 | C | S | . | * | trans | -68.6 | 122.4 | 168.7 | -175.8 | 0 | 0 | 0 | 0 | 111.3 | Y169 C172 R174 L182 | C167-Y169 VanDerWaalsContact C-N 3.27Å; C167-Y169 PolarHBondContact O-N 3.17Å; C167-C172 HydrophobicContact CB-CB 4.38Å; C167-R174 PolarHBondContact N-O 2.95Å; C167-L182 HydrophobicContact CB-CD1 3.75Å | ||
| 168 | G | 86.3 | Confident | 75.5 | Confident | 73 Ų | 73 | 107.2 Ų | 107.2 | 75% | 0.753 | 58% | 0.576 | S | S | * | * | trans | -76.7 | -5.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R166 K170 | R166-G168 PolarHBondContact O-N 3.11Å; G168-K170 PolarHBondContact O-N 3.3Å | ||
| 169 | Y | 87.2 | Confident | 77.9 | Confident | 131 Ų | 131 | 100.9 Ų | 100.9 | 51% | 0.514 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -68.9 | 130.4 | -178.4 | -158.7 | -94 | 0 | 0 | 0 | 111.3 | C167 G171 C172 H189 | C167-Y169 VanDerWaalsContact C-N 3.27Å; C167-Y169 PolarHBondContact O-N 3.17Å; Y169-G171 PolarHBondContact O-N 2.6Å; Y169-G171 VanDerWaalsContact O-N 3.13Å; Y169-C172 WeakPolarHBondContact O-CB 3.22Å; Y169-C172 PolarHBondContact O-N 2.88Å; Y169-H189 HydrophobicContact CD1-CB 4.31Å; Y169-H189 AromaticContact CD1-CE1 3.67Å; Y169-H189 AromaticContact CD1-CG 3.76Å; Y169-H189 AromaticContact CD1-ND1 3.31Å; Y169-H189 VanDerWaalsContact CD1-ND1 3.31Å; Y169-H189 WeakPolarHBondContact CD1-ND1 3.42Å; Y169-H189 HydrophobicContact CD2-CB 3.62Å; Y169-H189 AromaticContact CD2-CG 3.82Å; Y169-H189 HydrophobicContact CE1-CB 4.47Å; Y169-H189 AromaticContact CE1-ND1 3.68Å; Y169-H189 HydrophobicContact CE2-CB 3.82Å; Y169-H189 HydrophobicContact CG-CB 3.87Å; Y169-H189 AromaticContact CG-CD2 3.88Å; Y169-H189 AromaticContact CG-CE1 3.99Å; Y169-H189 AromaticContact CG-CG 3.51Å; Y169-H189 AromaticContact CG-ND1 3.59Å |
| 170 | K | 87.4 | Confident | 80.4 | Confident | 200 Ų | 200 | 97.9 Ų | 97.9 | 87% | 0.87 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 119.4 | -176.6 | -170.8 | 179.9 | 179.9 | -179.5 | 0 | 110.3 | G168 | G168-K170 PolarHBondContact O-N 3.3Š|
| 171 | G | 83.9 | Confident | 82.7 | Confident | 86 Ų | 86 | 97.3 Ų | 97.3 | 89% | 0.887 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | 1.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116 | Y169 | Y169-G171 PolarHBondContact O-N 2.6Å; Y169-G171 VanDerWaalsContact O-N 3.13Å |
| 172 | C | 88.3 | Confident | 84.7 | Confident | 28 Ų | 28 | 95.3 Ų | 95.3 | 19% | 0.189 | 51% | 0.505 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -55.6 | 175.9 | -174.9 | 0 | 0 | 0 | 0 | 112.6 | C167 Y169 R174 H185 H189 | C167-C172 HydrophobicContact CB-CB 4.38Å; Y169-C172 WeakPolarHBondContact O-CB 3.22Å; Y169-C172 PolarHBondContact O-N 2.88Å; C172-R174 PolarHBondContact O-N 3.08Å; C172-H185 VanDerWaalsContact SG-CE1 3.52Å; C172-H185 PolarHBondContact SG-NE2 3.5Å; C172-H189 WeakPolarHBondContact CB-NE2 3.23Å; C172-H189 PolarHBondContact SG-NE2 2.89Å |
| 173 | G | 83.8 | Confident | 86.2 | Confident | 39 Ų | 39 | 93.7 Ų | 93.7 | 40% | 0.402 | 49% | 0.49 | S | S | . | . | trans | 60.8 | 5.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 174 | R | 88.3 | Confident | 87.6 | Confident | 152 Ų | 152 | 84.5 Ų | 84.5 | 57% | 0.574 | 46% | 0.459 | S | S | * | . | trans | -67.5 | 145.2 | -177.7 | -71.5 | -174.6 | -176.4 | -161 | 1.5 | 111.8 | R166 C167 C172 Y176 | R166-R174 WeakPolarHBondContact CA-O 3.4Å; C167-R174 PolarHBondContact N-O 2.95Å; C172-R174 PolarHBondContact O-N 3.08Å; R174-Y176 HydrophobicContact CB-CE2 3.69Å; R174-Y176 WeakPolarHBondContact CD-OH 3.42Å | ||
| 175 | L | 90.9 | Very high | 88 | Confident | 85 Ų | 85 | 83.2 Ų | 83.2 | 45% | 0.445 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 139.2 | 179.3 | -61.8 | 179.4 | 0 | 0 | 0 | 109.6 | A164 F165 R166 | A164-L175 HydrophobicContact CB-CB 4.24Å; A164-L175 HydrophobicContact CB-CD1 4.36Å; A164-L175 HydrophobicContact CB-CD2 4.21Å; F165-L175 CarbonylContact O-C 3.5Å; F165-L175 WeakPolarHBondContact O-CA 3.43Å; R166-L175 HydrophobicContact CB-CD2 3.71Å; R166-L175 HydrophobicContact CG-CD2 3.98Å |
| 176 | Y | 90.3 | Very high | 88.3 | Confident | 43 Ų | 43 | 82.6 Ų | 82.6 | 17% | 0.169 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 144.3 | 178.4 | -63.3 | -84.2 | 0 | 0 | 0 | 109.8 | A164 F165 R174 T178 H181 L182 H185 | A164-Y176 CarbonylContact C-O 3.51Å; F165-Y176 PolarHBondContact N-O 3.12Å; F165-Y176 PolarHBondContact O-N 3.03Å; R174-Y176 HydrophobicContact CB-CE2 3.69Å; R174-Y176 WeakPolarHBondContact CD-OH 3.42Å; Y176-T178 VanDerWaalsContact C-N 3.27Å; Y176-T178 PolarHBondContact O-N 2.83Å; Y176-H181 HydrophobicContact CD1-CB 3.81Å; Y176-H181 HydrophobicContact CG-CB 4.36Å; Y176-L182 HydrophobicContact CD2-CB 3.92Å; Y176-L182 HydrophobicContact CD2-CD1 3.7Å; Y176-L182 HydrophobicContact CD2-CG 4.43Å; Y176-L182 HydrophobicContact CE2-CD1 4.02Å; Y176-L182 HydrophobicContact CG-CB 4.15Å; Y176-H185 HydrophobicContact CE1-CB 3.93Å; Y176-H185 HydrophobicContact CE2-CB 3.8Å; Y176-H185 AromaticContact CE2-CD2 3.23Å; Y176-H185 WeakPolarHBondContact CE2-CD2 3.41Å; Y176-H185 AromaticContact CE2-CG 3.59Å; Y176-H185 AromaticContact CE2-NE2 3.91Å; Y176-H185 VanDerWaalsContact CZ-CB 3.4Å; Y176-H185 AromaticContact CZ-CD2 3.44Å; Y176-H185 VanDerWaalsContact CZ-CD2 3.44Å; Y176-H185 AromaticContact CZ-CG 3.3Å; Y176-H185 AromaticContact CZ-ND1 3.91Å; Y176-H185 WeakPolarHBondContact OH-CB 3.48Å; Y176-H185 PolarHBondContact OH-CD2 3.2Å; Y176-H185 PolarHBondContact OH-CE1 2.8Å; Y176-H185 VanDerWaalsContact OH-CE1 3.28Å; Y176-H185 PolarHBondContact OH-ND1 3.25Å; Y176-H185 PolarHBondContact OH-NE2 3.47Å |
| 177 | T | 89.1 | Confident | 88.4 | Confident | 121 Ų | 121 | 76.7 Ų | 76.7 | 74% | 0.742 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -76 | -17.3 | 177.5 | 51 | 0 | 0 | 0 | 0 | 112.8 | ||
| 178 | T | 89.1 | Confident | 88.3 | Confident | 53 Ų | 53 | 80.2 Ų | 80.2 | 33% | 0.325 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -138 | 146.6 | -177.3 | 67.1 | 0 | 0 | 0 | 0 | 111.3 | Y176 H180 H181 L182 | Y176-T178 VanDerWaalsContact C-N 3.27Å; Y176-T178 PolarHBondContact O-N 2.83Å; T178-H180 VanDerWaalsContact C-N 3.29Å; T178-H180 PolarHBondContact O-N 2.89Å; T178-H181 PolarHBondContact O-N 2.63Å; T178-H181 WeakPolarHBondContact OG1-CB 3.35Å; T178-H181 VanDerWaalsContact OG1-CG 3.26Å; T178-H181 PolarHBondContact OG1-N 3.02Å; T178-H181 PolarHBondContact OG1-ND1 2.85Å; T178-L182 PolarHBondContact O-N 3.45Å |
| 179 | A | 87.5 | Confident | 88.5 | Confident | 52 Ų | 52 | 79.5 Ų | 79.5 | 43% | 0.43 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59 | -37.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F165 L182 K183 | F165-A179 HydrophobicContact CD1-CB 4.04Å; F165-A179 VanDerWaalsContact CD2-N 3.33Å; F165-A179 HydrophobicContact CE1-CB 3.71Å; F165-A179 HydrophobicContact CE2-CB 4.29Å; F165-A179 VanDerWaalsContact CE2-N 3.31Å; F165-A179 HydrophobicContact CG-CB 4.47Å; F165-A179 HydrophobicContact CZ-CB 3.84Å; A179-L182 PolarHBondContact O-N 2.79Å; A179-K183 WeakPolarHBondContact O-CB 3.36Å; A179-K183 PolarHBondContact O-N 3.44Å |
| 180 | H | 86.6 | Confident | 88.5 | Confident | 126 Ų | 126 | 78.2 Ų | 78.2 | 58% | 0.583 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -60.1 | -49.4 | 178.1 | -177.9 | 81.5 | 0 | 0 | 0 | 112 | T178 L182 K183 V184 | T178-H180 VanDerWaalsContact C-N 3.29Å; T178-H180 PolarHBondContact O-N 2.89Å; H180-L182 VanDerWaalsContact C-N 3.32Å; H180-L182 PolarHBondContact O-N 2.8Å; H180-K183 PolarHBondContact O-N 3.47Å; H180-V184 WeakPolarHBondContact O-CG2 3.37Å; H180-V184 PolarHBondContact O-N 2.89Å |
| 181 | H | 88.6 | Confident | 88.5 | Confident | 104 Ų | 104 | 71 Ų | 71 | 48% | 0.481 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.1 | -36.2 | 176.4 | -67.9 | 128.8 | 0 | 0 | 0 | 112.9 | Y176 T178 H185 | Y176-H181 HydrophobicContact CD1-CB 3.81Å; Y176-H181 HydrophobicContact CG-CB 4.36Å; T178-H181 PolarHBondContact O-N 2.63Å; T178-H181 WeakPolarHBondContact OG1-CB 3.35Å; T178-H181 VanDerWaalsContact OG1-CG 3.26Å; T178-H181 PolarHBondContact OG1-N 3.02Å; T178-H181 PolarHBondContact OG1-ND1 2.85Å; H181-H185 VanDerWaalsContact O-CB 3.31Å; H181-H185 WeakPolarHBondContact O-CB 3.05Å; H181-H185 PolarHBondContact O-N 3.19Å |
| 182 | L | 90.8 | Very high | 88.9 | Confident | 19 Ų | 19 | 70.4 Ų | 70.4 | 10% | 0.099 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.2 | -49.6 | 171.9 | 172 | 61.4 | 0 | 0 | 0 | 110.8 | F165 C167 Y176 T178 A179 H180 V184 H185 E186 | F165-L182 HydrophobicContact CB-CB 3.97Å; F165-L182 HydrophobicContact CB-CD2 3.71Å; F165-L182 HydrophobicContact CB-CG 4.4Å; C167-L182 HydrophobicContact CB-CD1 3.75Å; Y176-L182 HydrophobicContact CD2-CB 3.92Å; Y176-L182 HydrophobicContact CD2-CD1 3.7Å; Y176-L182 HydrophobicContact CD2-CG 4.43Å; Y176-L182 HydrophobicContact CE2-CD1 4.02Å; Y176-L182 HydrophobicContact CG-CB 4.15Å; T178-L182 PolarHBondContact O-N 3.45Å; A179-L182 PolarHBondContact O-N 2.79Å; H180-L182 VanDerWaalsContact C-N 3.32Å; H180-L182 PolarHBondContact O-N 2.8Å; L182-V184 PolarHBondContact O-N 3.39Å; L182-H185 CarbonylContact O-C 3.54Å; L182-H185 WeakPolarHBondContact O-CA 3.42Å; L182-H185 WeakPolarHBondContact O-CB 3.26Å; L182-H185 PolarHBondContact O-N 2.95Å; L182-E186 HydrophobicContact CD1-CG 4.04Å; L182-E186 HydrophobicContact CG-CG 4.38Å; L182-E186 WeakPolarHBondContact O-CG 3.32Å; L182-E186 PolarHBondContact O-N 3.46Å |
| 183 | K | 88.7 | Confident | 89 | Confident | 129 Ų | 129 | 76.1 Ų | 76.1 | 56% | 0.561 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -60.6 | -43 | -180 | -171.7 | 173 | -174.2 | 173.5 | 0 | 112.2 | A179 H180 H185 E186 R187 | A179-K183 WeakPolarHBondContact O-CB 3.36Å; A179-K183 PolarHBondContact O-N 3.44Å; H180-K183 PolarHBondContact O-N 3.47Å; K183-H185 VanDerWaalsContact C-N 3.28Å; K183-H185 PolarHBondContact O-N 3.19Å; K183-E186 PolarHBondContact O-N 3.46Å; K183-R187 PolarHBondContact O-N 3.26Å |
| 184 | V | 89 | Confident | 89.3 | Confident | 32 Ų | 32 | 77.3 Ų | 77.3 | 19% | 0.194 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63 | -37.2 | 174.2 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | H180 L182 R187 T208 | H180-V184 WeakPolarHBondContact O-CG2 3.37Å; H180-V184 PolarHBondContact O-N 2.89Å; L182-V184 PolarHBondContact O-N 3.39Å; V184-R187 WeakPolarHBondContact O-CB 3.24Å; V184-T208 HydrophobicContact CB-CG2 4.47Å; V184-T208 HydrophobicContact CG1-CG2 3.43Å; V184-T208 VanDerWaalsContact CG1-CG2 3.43Å; V184-T208 HydrophobicContact CG2-CG2 4.14Å |
| 185 | H | 89.6 | Confident | 89.5 | Confident | 22 Ų | 22 | 74.3 Ų | 74.3 | 10% | 0.102 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -69 | -39.4 | 175.3 | 166.3 | 64.2 | 0 | 0 | 0 | 113 | C172 Y176 H181 L182 K183 R187 A188 H189 | C172-H185 VanDerWaalsContact SG-CE1 3.52Å; C172-H185 PolarHBondContact SG-NE2 3.5Å; Y176-H185 HydrophobicContact CE1-CB 3.93Å; Y176-H185 HydrophobicContact CE2-CB 3.8Å; Y176-H185 AromaticContact CE2-CD2 3.23Å; Y176-H185 WeakPolarHBondContact CE2-CD2 3.41Å; Y176-H185 AromaticContact CE2-CG 3.59Å; Y176-H185 AromaticContact CE2-NE2 3.91Å; Y176-H185 VanDerWaalsContact CZ-CB 3.4Å; Y176-H185 AromaticContact CZ-CD2 3.44Å; Y176-H185 VanDerWaalsContact CZ-CD2 3.44Å; Y176-H185 AromaticContact CZ-CG 3.3Å; Y176-H185 AromaticContact CZ-ND1 3.91Å; Y176-H185 WeakPolarHBondContact OH-CB 3.48Å; Y176-H185 PolarHBondContact OH-CD2 3.2Å; Y176-H185 PolarHBondContact OH-CE1 2.8Å; Y176-H185 VanDerWaalsContact OH-CE1 3.28Å; Y176-H185 PolarHBondContact OH-ND1 3.25Å; Y176-H185 PolarHBondContact OH-NE2 3.47Å; H181-H185 VanDerWaalsContact O-CB 3.31Å; H181-H185 WeakPolarHBondContact O-CB 3.05Å; H181-H185 PolarHBondContact O-N 3.19Å; L182-H185 CarbonylContact O-C 3.54Å; L182-H185 WeakPolarHBondContact O-CA 3.42Å; L182-H185 WeakPolarHBondContact O-CB 3.26Å; L182-H185 PolarHBondContact O-N 2.95Å; K183-H185 VanDerWaalsContact C-N 3.28Å; K183-H185 PolarHBondContact O-N 3.19Å; H185-R187 PolarHBondContact O-N 3.03Å; H185-A188 WeakPolarHBondContact O-CA 3.38Å; H185-A188 WeakPolarHBondContact O-CB 3.5Å; H185-A188 PolarHBondContact O-N 3.03Å; H185-H189 AromaticContact CE1-NE2 3.44Å; H185-H189 PolarHBondContact CE1-NE2 2.95Å; H185-H189 AromaticContact NE2-CD2 3.85Å; H185-H189 AromaticContact NE2-NE2 3.31Å; H185-H189 PolarHBondContact NE2-NE2 3.27Å |
| 186 | E | 89.5 | Confident | 89.5 | Confident | 75 Ų | 75 | 78.9 Ų | 78.9 | 35% | 0.35 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.9 | -32.2 | 177.4 | -73.9 | 174.2 | 160.5 | 0 | 0 | 112.1 | L182 K183 A188 H189 T190 | L182-E186 HydrophobicContact CD1-CG 4.04Å; L182-E186 HydrophobicContact CG-CG 4.38Å; L182-E186 WeakPolarHBondContact O-CG 3.32Å; L182-E186 PolarHBondContact O-N 3.46Å; K183-E186 PolarHBondContact O-N 3.46Å; E186-A188 PolarHBondContact O-N 2.79Å; E186-A188 VanDerWaalsContact O-N 3.16Å; E186-H189 WeakPolarHBondContact O-CA 3.4Å; E186-H189 WeakPolarHBondContact O-CB 3.4Å; E186-H189 PolarHBondContact O-N 3.35Å; E186-T190 PolarHBondContact O-N 3.04Å; E186-T190 PolarHBondContact O-OG1 3.4Å |
| 187 | R | 91.4 | Very high | 89.7 | Confident | 37 Ų | 37 | 77.4 Ų | 77.4 | 14% | 0.14 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -56.7 | -28 | 170.1 | -66.5 | -179.9 | 179.6 | 151.9 | 4.4 | 113.4 | K183 V184 H185 H189 T190 G191 D192 A207 | K183-R187 PolarHBondContact O-N 3.26Å; V184-R187 WeakPolarHBondContact O-CB 3.24Å; H185-R187 PolarHBondContact O-N 3.03Å; R187-H189 VanDerWaalsContact C-N 3.28Å; R187-H189 PolarHBondContact O-N 3.31Å; R187-T190 WeakPolarHBondContact CA-OG1 3.22Å; R187-G191 CarbonylContact O-C 3.58Å; R187-G191 WeakPolarHBondContact O-CA 3.4Å; R187-G191 PolarHBondContact O-N 3.47Å; R187-D192 HydrophobicContact CB-CB 4.29Å; R187-D192 WeakPolarHBondContact CB-O 3.41Å; R187-D192 HydrophobicContact CG-CB 4.1Å; R187-D192 IonicContact NE-OD2 3.71Å; R187-D192 PolarHBondContact O-N 3.12Å; R187-A207 HydrophobicContact CB-CB 4.19Å; R187-A207 WeakPolarHBondContact CD-O 3.24Å; R187-A207 PolarHBondContact NH1-O 3.49Å |
| 188 | A | 88.8 | Confident | 89.8 | Confident | 77 Ų | 77 | 78.8 Ų | 78.8 | 64% | 0.636 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -71.4 | -24.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | H185 E186 | H185-A188 WeakPolarHBondContact O-CA 3.38Å; H185-A188 WeakPolarHBondContact O-CB 3.5Å; H185-A188 PolarHBondContact O-N 3.03Å; E186-A188 PolarHBondContact O-N 2.79Å; E186-A188 VanDerWaalsContact O-N 3.16Å |
| 189 | H | 89.3 | Confident | 89.8 | Confident | 58 Ų | 58 | 81.2 Ų | 81.2 | 27% | 0.269 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -84.5 | -43.1 | 174.5 | -70.2 | -61.3 | 0 | 0 | 0 | 112.1 | Y169 C172 H185 E186 R187 G191 | Y169-H189 HydrophobicContact CD1-CB 4.31Å; Y169-H189 AromaticContact CD1-CE1 3.67Å; Y169-H189 AromaticContact CD1-CG 3.76Å; Y169-H189 AromaticContact CD1-ND1 3.31Å; Y169-H189 VanDerWaalsContact CD1-ND1 3.31Å; Y169-H189 WeakPolarHBondContact CD1-ND1 3.42Å; Y169-H189 HydrophobicContact CD2-CB 3.62Å; Y169-H189 AromaticContact CD2-CG 3.82Å; Y169-H189 HydrophobicContact CE1-CB 4.47Å; Y169-H189 AromaticContact CE1-ND1 3.68Å; Y169-H189 HydrophobicContact CE2-CB 3.82Å; Y169-H189 HydrophobicContact CG-CB 3.87Å; Y169-H189 AromaticContact CG-CD2 3.88Å; Y169-H189 AromaticContact CG-CE1 3.99Å; Y169-H189 AromaticContact CG-CG 3.51Å; Y169-H189 AromaticContact CG-ND1 3.59Å; C172-H189 WeakPolarHBondContact CB-NE2 3.23Å; C172-H189 PolarHBondContact SG-NE2 2.89Å; H185-H189 AromaticContact CE1-NE2 3.44Å; H185-H189 PolarHBondContact CE1-NE2 2.95Å; H185-H189 AromaticContact NE2-CD2 3.85Å; H185-H189 AromaticContact NE2-NE2 3.31Å; H185-H189 PolarHBondContact NE2-NE2 3.27Å; E186-H189 WeakPolarHBondContact O-CA 3.4Å; E186-H189 WeakPolarHBondContact O-CB 3.4Å; E186-H189 PolarHBondContact O-N 3.35Å; R187-H189 VanDerWaalsContact C-N 3.28Å; R187-H189 PolarHBondContact O-N 3.31Å; H189-G191 VanDerWaalsContact C-N 3.3Å |
| 190 | T | 88.1 | Confident | 89.6 | Confident | 104 Ų | 104 | 83.5 Ų | 83.5 | 64% | 0.638 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -78.8 | -16.7 | -179.8 | 59.9 | 0 | 0 | 0 | 0 | 112.9 | E186 R187 D192 | E186-T190 PolarHBondContact O-N 3.04Å; E186-T190 PolarHBondContact O-OG1 3.4Å; R187-T190 WeakPolarHBondContact CA-OG1 3.22Å; T190-D192 PolarHBondContact O-N 3.48Å; T190-D192 VanDerWaalsContact OG1-CB 3.31Å; T190-D192 WeakPolarHBondContact OG1-CB 3.48Å; T190-D192 PolarHBondContact OG1-N 3.09Å |
| 191 | G | 87.7 | Confident | 89.5 | Confident | 49 Ų | 49 | 84.1 Ų | 84.1 | 51% | 0.505 | 44% | 0.444 | S | S | . | . | trans | 74.3 | 7.1 | -172 | 0 | 0 | 0 | 0 | 0 | 113.3 | R187 H189 R193 | R187-G191 CarbonylContact O-C 3.58Å; R187-G191 WeakPolarHBondContact O-CA 3.4Å; R187-G191 PolarHBondContact O-N 3.47Å; H189-G191 VanDerWaalsContact C-N 3.3Å; G191-R193 PolarHBondContact O-N 3.3Å | ||
| 192 | D | 90.9 | Very high | 89.6 | Confident | 74 Ų | 74 | 80.3 Ų | 80.3 | 40% | 0.396 | 43% | 0.429 | S | S | . | . | trans | -61.6 | 124.7 | -179.3 | 178.7 | 29.1 | 0 | 0 | 0 | 111 | R187 T190 | R187-D192 HydrophobicContact CB-CB 4.29Å; R187-D192 WeakPolarHBondContact CB-O 3.41Å; R187-D192 HydrophobicContact CG-CB 4.1Å; R187-D192 IonicContact NE-OD2 3.71Å; R187-D192 PolarHBondContact O-N 3.12Å; T190-D192 PolarHBondContact O-N 3.48Å; T190-D192 VanDerWaalsContact OG1-CB 3.31Å; T190-D192 WeakPolarHBondContact OG1-CB 3.48Å; T190-D192 PolarHBondContact OG1-N 3.09Å | ||
| 193 | R | 90.8 | Very high | 89.4 | Confident | 147 Ų | 147 | 82.8 Ų | 82.8 | 56% | 0.555 | 46% | 0.46 | S | S | * | . | trans | -135.1 | 77.9 | -177.4 | -72 | 168.7 | 176 | -137.1 | 12.5 | 108.7 | G191 Y195 A205 F206 | G191-R193 PolarHBondContact O-N 3.3Å; R193-Y195 PolarHBondContact O-N 3.44Å; R193-A205 HydrophobicContact CB-CB 3.56Å; R193-A205 WeakPolarHBondContact CD-O 3.48Å; R193-A205 HydrophobicContact CG-CB 4.49Å; R193-A205 PolarHBondContact NH1-O 3.29Å; R193-F206 CarbonylContact C-O 3.57Å; R193-F206 WeakPolarHBondContact CA-O 3.42Å | ||
| 194 | P | 90.2 | Very high | 89.5 | Confident | 64 Ų | 64 | 81.7 Ų | 81.7 | 42% | 0.416 | 46% | 0.455 | S | S | . | . | trans | -64.6 | -26.6 | -173.3 | -22.2 | 33.5 | 0 | 0 | 0 | 113.4 | R196 | P194-R196 PolarHBondContact O-N 2.87Š| ||
| 195 | Y | 92.6 | Very high | 89.6 | Confident | 90 Ų | 90 | 80.9 Ų | 80.9 | 35% | 0.353 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 98.3 | -171.8 | -56 | -84.2 | 0 | 0 | 0 | 110.2 | R193 A205 F206 | R193-Y195 PolarHBondContact O-N 3.44Å; Y195-A205 CarbonylContact O-C 3.57Å; Y195-A205 VanDerWaalsContact O-CA 3.31Å; Y195-A205 WeakPolarHBondContact O-CA 3.38Å; Y195-F206 WeakPolarHBondContact CD2-O 3.34Å; Y195-F206 PolarHBondContact N-O 3.46Å; Y195-F206 VanDerWaalsContact N-O 3.17Å; Y195-F206 PolarHBondContact O-N 3.46Å |
| 196 | R | 91.7 | Very high | 89.7 | Confident | 181 Ų | 181 | 82 Ų | 82 | 68% | 0.683 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 147.9 | 178.6 | -65.1 | -171.8 | 175.1 | -137.5 | 1.2 | 111.1 | P194 A205 L212 | P194-R196 PolarHBondContact O-N 2.87Å; R196-A205 HydrophobicContact CG-CB 3.9Å; R196-L212 WeakPolarHBondContact O-CD1 3.42Å; R196-L212 VanDerWaalsContact O-CD2 3.29Å; R196-L212 WeakPolarHBondContact O-CD2 3.4Å |
| 197 | C | 93.9 | Very high | 89.7 | Confident | 11 Ų | 11 | 80 Ų | 80 | 7% | 0.074 | 45% | 0.452 | C | S | . | . | trans | -84.5 | 121.9 | 173.1 | -175.1 | 0 | 0 | 0 | 0 | 109.7 | F199 K204 L212 H219 | C197-F199 PolarHBondContact O-N 2.98Å; C197-K204 VanDerWaalsContact CB-O 3.27Å; C197-K204 WeakPolarHBondContact CB-O 3.4Å; C197-K204 PolarHBondContact N-O 2.95Å; C197-L212 HydrophobicContact CB-CD1 3.82Å; C197-H219 PolarHBondContact SG-NE2 3.33Å; C197-H219 VanDerWaalsContact SG-NE2 3.4Å | ||
| 198 | D | 90.6 | Very high | 89.7 | Confident | 151 Ų | 151 | 80.4 Ų | 80.4 | 81% | 0.807 | 46% | 0.459 | S | S | * | . | trans | -79.3 | -5.1 | -177.9 | -52.5 | -40.4 | 0 | 0 | 0 | 112.9 | ||||
| 199 | F | 88.9 | Confident | 89.7 | Confident | 104 Ų | 104 | 78.1 Ų | 78.1 | 46% | 0.456 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -66.8 | 126.1 | -179.7 | -146.2 | -89.4 | 0 | 0 | 0 | 110.4 | C197 S201 C202 H219 | C197-F199 PolarHBondContact O-N 2.98Å; F199-S201 PolarHBondContact O-N 2.98Å; F199-C202 HydrophobicContact CB-CB 4.19Å; F199-C202 WeakPolarHBondContact O-CB 3.14Å; F199-C202 PolarHBondContact O-N 2.99Å; F199-C202 VanDerWaalsContact O-N 3.1Å; F199-H219 HydrophobicContact CD1-CB 4.11Å; F199-H219 AromaticContact CD1-CG 3.87Å; F199-H219 AromaticContact CD1-ND1 3.97Å; F199-H219 HydrophobicContact CD2-CB 3.62Å; F199-H219 AromaticContact CD2-CG 3.89Å; F199-H219 HydrophobicContact CE1-CB 4.14Å; F199-H219 HydrophobicContact CE2-CB 3.65Å; F199-H219 HydrophobicContact CG-CB 3.86Å; F199-H219 AromaticContact CG-CD2 3.65Å; F199-H219 AromaticContact CG-CG 3.63Å; F199-H219 HydrophobicContact CZ-CB 3.91Å |
| 200 | P | 84.6 | Confident | 89.6 | Confident | 99 Ų | 99 | 81.7 Ų | 81.7 | 64% | 0.643 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 140.7 | 180 | -25.1 | 33.3 | 0 | 0 | 0 | 110.9 | C202 | P200-C202 PolarHBondContact O-N 3.1Š|
| 201 | S | 83.6 | Confident | 89.6 | Confident | 139 Ų | 139 | 77.6 Ų | 77.6 | 97% | 0.972 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | -2.4 | -175.9 | 78.5 | 0 | 0 | 0 | 0 | 117.5 | F199 | F199-S201 PolarHBondContact O-N 2.98Š|
| 202 | C | 90.8 | Very high | 89.8 | Confident | 25 Ų | 25 | 76.7 Ų | 76.7 | 17% | 0.169 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -50.6 | -179.5 | -170.6 | 0 | 0 | 0 | 0 | 113.8 | F199 P200 K204 H215 H219 | F199-C202 HydrophobicContact CB-CB 4.19Å; F199-C202 WeakPolarHBondContact O-CB 3.14Å; F199-C202 PolarHBondContact O-N 2.99Å; F199-C202 VanDerWaalsContact O-N 3.1Å; P200-C202 PolarHBondContact O-N 3.1Å; C202-K204 PolarHBondContact O-N 3.29Å; C202-H215 PolarHBondContact SG-NE2 3.46Å; C202-H219 PolarHBondContact SG-CE1 3.41Å; C202-H219 PolarHBondContact SG-NE2 3.44Å |
| 203 | G | 86.9 | Confident | 89.7 | Confident | 71 Ų | 71 | 79.8 Ų | 79.8 | 73% | 0.732 | 43% | 0.426 | S | S | * | . | trans | 59.8 | 5.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 204 | K | 90.7 | Very high | 89.6 | Confident | 105 Ų | 105 | 74 Ų | 74 | 46% | 0.457 | 41% | 0.408 | S | S | . | . | trans | -77.7 | 136.4 | -175.8 | -72.4 | 177.3 | -174.5 | 171.6 | 0 | 111.2 | C197 C202 F206 | C197-K204 VanDerWaalsContact CB-O 3.27Å; C197-K204 WeakPolarHBondContact CB-O 3.4Å; C197-K204 PolarHBondContact N-O 2.95Å; C202-K204 PolarHBondContact O-N 3.29Å; K204-F206 HydrophobicContact CB-CE2 3.87Å; K204-F206 HydrophobicContact CB-CZ 3.98Å | ||
| 205 | A | 92 | Very high | 89.6 | Confident | 15 Ų | 15 | 71.6 Ų | 71.6 | 12% | 0.124 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 147.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | R193 Y195 R196 | R193-A205 HydrophobicContact CB-CB 3.56Å; R193-A205 WeakPolarHBondContact CD-O 3.48Å; R193-A205 HydrophobicContact CG-CB 4.49Å; R193-A205 PolarHBondContact NH1-O 3.29Å; Y195-A205 CarbonylContact O-C 3.57Å; Y195-A205 VanDerWaalsContact O-CA 3.31Å; Y195-A205 WeakPolarHBondContact O-CA 3.38Å; R196-A205 HydrophobicContact CG-CB 3.9Å |
| 206 | F | 91.6 | Very high | 89.4 | Confident | 47 Ų | 47 | 69.9 Ų | 69.9 | 21% | 0.206 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 149.6 | -172.9 | -59.3 | -89 | 0 | 0 | 0 | 111.2 | R193 Y195 K204 T208 L212 H215 | R193-F206 CarbonylContact C-O 3.57Å; R193-F206 WeakPolarHBondContact CA-O 3.42Å; Y195-F206 WeakPolarHBondContact CD2-O 3.34Å; Y195-F206 PolarHBondContact N-O 3.46Å; Y195-F206 VanDerWaalsContact N-O 3.17Å; Y195-F206 PolarHBondContact O-N 3.46Å; K204-F206 HydrophobicContact CB-CE2 3.87Å; K204-F206 HydrophobicContact CB-CZ 3.98Å; F206-T208 VanDerWaalsContact C-N 3.29Å; F206-L212 HydrophobicContact CB-CB 4.39Å; F206-L212 HydrophobicContact CD2-CB 3.98Å; F206-L212 HydrophobicContact CD2-CD1 3.96Å; F206-L212 HydrophobicContact CE2-CD1 4.21Å; F206-L212 HydrophobicContact CG-CB 4.38Å; F206-H215 HydrophobicContact CD2-CB 4.45Å; F206-H215 HydrophobicContact CE1-CB 3.79Å; F206-H215 HydrophobicContact CE2-CB 3.61Å; F206-H215 AromaticContact CE2-CD2 3.27Å; F206-H215 WeakPolarHBondContact CE2-CD2 3.38Å; F206-H215 AromaticContact CE2-CG 3.47Å; F206-H215 VanDerWaalsContact CE2-CG 3.47Å; F206-H215 HydrophobicContact CZ-CB 3.23Å; F206-H215 AromaticContact CZ-CD2 3.4Å; F206-H215 VanDerWaalsContact CZ-CD2 3.4Å; F206-H215 WeakPolarHBondContact CZ-CD2 3.35Å; F206-H215 AromaticContact CZ-CG 3.11Å; F206-H215 AromaticContact CZ-ND1 3.77Å |
| 207 | A | 89.5 | Confident | 89.4 | Confident | 31 Ų | 31 | 62.4 Ų | 62.4 | 26% | 0.256 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -76.9 | -15.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | R187 | R187-A207 HydrophobicContact CB-CB 4.19Å; R187-A207 WeakPolarHBondContact CD-O 3.24Å; R187-A207 PolarHBondContact NH1-O 3.49Å |
| 208 | T | 90.8 | Very high | 89.1 | Confident | 47 Ų | 47 | 64.4 Ų | 64.4 | 29% | 0.288 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -138.2 | 148.5 | -179.3 | 63.9 | 0 | 0 | 0 | 0 | 111.6 | V184 F206 Y210 G211 L212 | V184-T208 HydrophobicContact CB-CG2 4.47Å; V184-T208 HydrophobicContact CG1-CG2 3.43Å; V184-T208 VanDerWaalsContact CG1-CG2 3.43Å; V184-T208 HydrophobicContact CG2-CG2 4.14Å; F206-T208 VanDerWaalsContact C-N 3.29Å; T208-Y210 VanDerWaalsContact C-N 3.33Å; T208-Y210 PolarHBondContact O-N 2.87Å; T208-G211 PolarHBondContact O-N 3.34Å; T208-G211 VanDerWaalsContact O-N 3.11Å; T208-G211 PolarHBondContact OG1-N 3.13Å; T208-L212 PolarHBondContact O-N 3.45Å; T208-L212 VanDerWaalsContact O-N 3.17Å |
| 209 | G | 88.8 | Confident | 88.9 | Confident | 29 Ų | 29 | 59.9 Ų | 59.9 | 30% | 0.299 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.1 | -36.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | G211 L212 K213 | G209-G211 VanDerWaalsContact C-N 3.3Å; G209-G211 PolarHBondContact O-N 3.08Å; G209-L212 PolarHBondContact O-N 3.28Å; G209-K213 PolarHBondContact O-N 2.79Å |
| 210 | Y | 86.5 | Confident | 88.8 | Confident | 132 Ų | 132 | 58.3 Ų | 58.3 | 52% | 0.518 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.8 | -40.4 | 171.8 | 177 | -96.7 | 0 | 0 | 0 | 112.2 | T208 L212 K213 S214 | T208-Y210 VanDerWaalsContact C-N 3.33Å; T208-Y210 PolarHBondContact O-N 2.87Å; Y210-L212 VanDerWaalsContact C-N 3.35Å; Y210-K213 PolarHBondContact O-N 3.1Å; Y210-S214 WeakPolarHBondContact O-CB 3.49Å; Y210-S214 PolarHBondContact O-N 3.17Å |
| 211 | G | 88.1 | Confident | 88.9 | Confident | 18 Ų | 18 | 55.2 Ų | 55.2 | 19% | 0.186 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | T208 G209 H215 | T208-G211 PolarHBondContact O-N 3.34Å; T208-G211 VanDerWaalsContact O-N 3.11Å; T208-G211 PolarHBondContact OG1-N 3.13Å; G209-G211 VanDerWaalsContact C-N 3.3Å; G209-G211 PolarHBondContact O-N 3.08Å; G211-H215 WeakPolarHBondContact O-CB 3.48Å; G211-H215 PolarHBondContact O-N 3.41Å |
| 212 | L | 92.2 | Very high | 89.1 | Confident | 30 Ų | 30 | 53.9 Ų | 53.9 | 16% | 0.157 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.5 | -50.8 | 173.1 | 173.7 | 61.9 | 0 | 0 | 0 | 111.6 | R196 C197 F206 T208 G209 Y210 S214 H215 V216 | R196-L212 WeakPolarHBondContact O-CD1 3.42Å; R196-L212 VanDerWaalsContact O-CD2 3.29Å; R196-L212 WeakPolarHBondContact O-CD2 3.4Å; C197-L212 HydrophobicContact CB-CD1 3.82Å; F206-L212 HydrophobicContact CB-CB 4.39Å; F206-L212 HydrophobicContact CD2-CB 3.98Å; F206-L212 HydrophobicContact CD2-CD1 3.96Å; F206-L212 HydrophobicContact CE2-CD1 4.21Å; F206-L212 HydrophobicContact CG-CB 4.38Å; T208-L212 PolarHBondContact O-N 3.45Å; T208-L212 VanDerWaalsContact O-N 3.17Å; G209-L212 PolarHBondContact O-N 3.28Å; Y210-L212 VanDerWaalsContact C-N 3.35Å; L212-S214 VanDerWaalsContact C-N 3.33Å; L212-S214 PolarHBondContact O-N 2.9Å; L212-H215 CarbonylContact O-C 3.59Å; L212-H215 WeakPolarHBondContact O-CA 3.42Å; L212-H215 WeakPolarHBondContact O-CB 3.48Å; L212-H215 PolarHBondContact O-N 3.49Å; L212-V216 HydrophobicContact CD1-CG2 3.99Å; L212-V216 HydrophobicContact CG-CG2 4.36Å; L212-V216 WeakPolarHBondContact O-CG2 3.48Å; L212-V216 PolarHBondContact O-N 3.43Å |
| 213 | K | 89 | Confident | 89 | Confident | 139 Ų | 139 | 58.1 Ų | 58.1 | 60% | 0.604 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -57.2 | -44.8 | 179.5 | -172.6 | 171.8 | -173.7 | 170.1 | 0 | 112 | G209 Y210 H215 V216 | G209-K213 PolarHBondContact O-N 2.79Å; Y210-K213 PolarHBondContact O-N 3.1Å; K213-H215 VanDerWaalsContact C-N 3.27Å; K213-H215 PolarHBondContact O-N 3.02Å; K213-V216 PolarHBondContact O-N 2.98Å |
| 214 | S | 88.3 | Confident | 89 | Confident | 25 Ų | 25 | 57.9 Ų | 57.9 | 18% | 0.175 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.1 | -31.5 | 175.1 | -177 | 0 | 0 | 0 | 0 | 112.6 | Y210 L212 T238 | Y210-S214 WeakPolarHBondContact O-CB 3.49Å; Y210-S214 PolarHBondContact O-N 3.17Å; L212-S214 VanDerWaalsContact C-N 3.33Å; L212-S214 PolarHBondContact O-N 2.9Å; S214-T238 VanDerWaalsContact OG-CG2 3.27Å; S214-T238 WeakPolarHBondContact OG-CG2 3.32Å |
| 215 | H | 90.1 | Very high | 89 | Confident | 15 Ų | 15 | 56.1 Ų | 56.1 | 7% | 0.069 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -75.1 | -38.8 | 176.9 | 170.5 | 59.1 | 0 | 0 | 0 | 112.6 | C202 F206 G211 L212 K213 R217 T218 H219 | C202-H215 PolarHBondContact SG-NE2 3.46Å; F206-H215 HydrophobicContact CD2-CB 4.45Å; F206-H215 HydrophobicContact CE1-CB 3.79Å; F206-H215 HydrophobicContact CE2-CB 3.61Å; F206-H215 AromaticContact CE2-CD2 3.27Å; F206-H215 WeakPolarHBondContact CE2-CD2 3.38Å; F206-H215 AromaticContact CE2-CG 3.47Å; F206-H215 VanDerWaalsContact CE2-CG 3.47Å; F206-H215 HydrophobicContact CZ-CB 3.23Å; F206-H215 AromaticContact CZ-CD2 3.4Å; F206-H215 VanDerWaalsContact CZ-CD2 3.4Å; F206-H215 WeakPolarHBondContact CZ-CD2 3.35Å; F206-H215 AromaticContact CZ-CG 3.11Å; F206-H215 AromaticContact CZ-ND1 3.77Å; G211-H215 WeakPolarHBondContact O-CB 3.48Å; G211-H215 PolarHBondContact O-N 3.41Å; L212-H215 CarbonylContact O-C 3.59Å; L212-H215 WeakPolarHBondContact O-CA 3.42Å; L212-H215 WeakPolarHBondContact O-CB 3.48Å; L212-H215 PolarHBondContact O-N 3.49Å; K213-H215 VanDerWaalsContact C-N 3.27Å; K213-H215 PolarHBondContact O-N 3.02Å; H215-R217 PolarHBondContact O-N 2.82Å; H215-T218 PolarHBondContact CE1-OG1 2.89Å; H215-T218 PolarHBondContact ND1-OG1 3.1Å; H215-T218 WeakPolarHBondContact O-CA 3.46Å; H215-T218 WeakPolarHBondContact O-CB 3.25Å; H215-T218 WeakPolarHBondContact O-CG2 3.45Å; H215-T218 PolarHBondContact O-N 3.1Å; H215-T218 PolarHBondContact O-OG1 3.27Å; H215-H219 AromaticContact CE1-CE1 3.97Å; H215-H219 AromaticContact CE1-NE2 3.53Å; H215-H219 AromaticContact NE2-CD2 3.96Å; H215-H219 AromaticContact NE2-CE1 3.91Å; H215-H219 AromaticContact NE2-NE2 3.12Å; H215-H219 PolarHBondContact NE2-NE2 3.22Å; H215-H219 VanDerWaalsContact NE2-NE2 3.12Å |
| 216 | V | 89.8 | Confident | 88.9 | Confident | 54 Ų | 54 | 63 Ų | 63 | 33% | 0.327 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57.3 | -35.3 | 177.7 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | L212 K213 T218 H219 T220 | L212-V216 HydrophobicContact CD1-CG2 3.99Å; L212-V216 HydrophobicContact CG-CG2 4.36Å; L212-V216 WeakPolarHBondContact O-CG2 3.48Å; L212-V216 PolarHBondContact O-N 3.43Å; K213-V216 PolarHBondContact O-N 2.98Å; V216-T218 PolarHBondContact O-N 3.24Å; V216-H219 WeakPolarHBondContact O-CB 3.24Å; V216-H219 PolarHBondContact O-N 3.13Å; V216-T220 HydrophobicContact CG1-CG2 4.15Å; V216-T220 PolarHBondContact O-N 3.48Å; V216-T220 VanDerWaalsContact O-N 3.15Å |
| 217 | R | 90.3 | Very high | 88.9 | Confident | 24 Ų | 24 | 61.4 Ų | 61.4 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -13.5 | 170.4 | -63.7 | 176.5 | -179.1 | 151.3 | 0.3 | 114.6 | H215 G221 E222 K237 | H215-R217 PolarHBondContact O-N 2.82Å; R217-G221 PolarHBondContact O-N 3.1Å; R217-E222 HydrophobicContact CG-CB 4.26Å; R217-K237 HydrophobicContact CB-CB 4.42Å; R217-K237 HydrophobicContact CB-CD 4.45Å; R217-K237 HydrophobicContact CB-CG 4.38Å; R217-K237 WeakPolarHBondContact CD-O 3.49Å; R217-K237 PolarHBondContact NH1-O 3.29Å; R217-K237 WeakPolarHBondContact O-CE 3.47Å |
| 218 | T | 87.6 | Confident | 88.8 | Confident | 53 Ų | 53 | 64.5 Ų | 64.5 | 33% | 0.325 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -25.8 | 173.3 | 71.1 | 0 | 0 | 0 | 0 | 113.5 | H215 V216 K237 | H215-T218 PolarHBondContact CE1-OG1 2.89Å; H215-T218 PolarHBondContact ND1-OG1 3.1Å; H215-T218 WeakPolarHBondContact O-CA 3.46Å; H215-T218 WeakPolarHBondContact O-CB 3.25Å; H215-T218 WeakPolarHBondContact O-CG2 3.45Å; H215-T218 PolarHBondContact O-N 3.1Å; H215-T218 PolarHBondContact O-OG1 3.27Å; V216-T218 PolarHBondContact O-N 3.24Å; T218-K237 HydrophobicContact CG2-CD 4.13Å |
| 219 | H | 87.6 | Confident | 88.7 | Confident | 55 Ų | 55 | 66.6 Ų | 66.6 | 26% | 0.255 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -52.4 | 174.1 | -57.2 | -53 | 0 | 0 | 0 | 110.6 | C197 F199 C202 H215 V216 G221 | C197-H219 PolarHBondContact SG-NE2 3.33Å; C197-H219 VanDerWaalsContact SG-NE2 3.4Å; F199-H219 HydrophobicContact CD1-CB 4.11Å; F199-H219 AromaticContact CD1-CG 3.87Å; F199-H219 AromaticContact CD1-ND1 3.97Å; F199-H219 HydrophobicContact CD2-CB 3.62Å; F199-H219 AromaticContact CD2-CG 3.89Å; F199-H219 HydrophobicContact CE1-CB 4.14Å; F199-H219 HydrophobicContact CE2-CB 3.65Å; F199-H219 HydrophobicContact CG-CB 3.86Å; F199-H219 AromaticContact CG-CD2 3.65Å; F199-H219 AromaticContact CG-CG 3.63Å; F199-H219 HydrophobicContact CZ-CB 3.91Å; C202-H219 PolarHBondContact SG-CE1 3.41Å; C202-H219 PolarHBondContact SG-NE2 3.44Å; H215-H219 AromaticContact CE1-CE1 3.97Å; H215-H219 AromaticContact CE1-NE2 3.53Å; H215-H219 AromaticContact NE2-CD2 3.96Å; H215-H219 AromaticContact NE2-CE1 3.91Å; H215-H219 AromaticContact NE2-NE2 3.12Å; H215-H219 PolarHBondContact NE2-NE2 3.22Å; H215-H219 VanDerWaalsContact NE2-NE2 3.12Å; V216-H219 WeakPolarHBondContact O-CB 3.24Å; V216-H219 PolarHBondContact O-N 3.13Å; H219-G221 PolarHBondContact O-N 3.21Å |
| 220 | T | 86.7 | Confident | 88.4 | Confident | 72 Ų | 72 | 73.5 Ų | 73.5 | 44% | 0.442 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -71.1 | -16.2 | -178.3 | 64.2 | 0 | 0 | 0 | 0 | 113.6 | V216 E222 | V216-T220 HydrophobicContact CG1-CG2 4.15Å; V216-T220 PolarHBondContact O-N 3.48Å; V216-T220 VanDerWaalsContact O-N 3.15Å; T220-E222 PolarHBondContact O-N 2.73Å; T220-E222 VanDerWaalsContact O-N 3.17Å; T220-E222 WeakPolarHBondContact OG1-CG 3.47Å; T220-E222 PolarHBondContact OG1-N 3.47Å |
| 221 | G | 86.1 | Confident | 88.2 | Confident | 34 Ų | 34 | 74.6 Ų | 74.6 | 35% | 0.351 | 39% | 0.388 | S | S | . | . | trans | 73.7 | -1.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | R217 H219 K223 | R217-G221 PolarHBondContact O-N 3.1Å; H219-G221 PolarHBondContact O-N 3.21Å; G221-K223 PolarHBondContact O-N 2.95Å | ||
| 222 | E | 87 | Confident | 88.2 | Confident | 110 Ų | 110 | 74.4 Ų | 74.4 | 51% | 0.514 | 38% | 0.384 | S | S | . | . | trans | -54.4 | 132.2 | 179.7 | -75.4 | 176.4 | -165.5 | 0 | 0 | 112.5 | R217 T220 | R217-E222 HydrophobicContact CG-CB 4.26Å; T220-E222 PolarHBondContact O-N 2.73Å; T220-E222 VanDerWaalsContact O-N 3.17Å; T220-E222 WeakPolarHBondContact OG1-CG 3.47Å; T220-E222 PolarHBondContact OG1-N 3.47Å | ||
| 223 | K | 89.3 | Confident | 88 | Confident | 114 Ų | 114 | 78.9 Ų | 78.9 | 50% | 0.496 | 42% | 0.418 | S | S | . | . | trans | -129.5 | 79.3 | 177 | -72.3 | 163 | 171.3 | -173.1 | 0 | 109.5 | G221 Y225 A235 F236 K237 | G221-K223 PolarHBondContact O-N 2.95Å; K223-Y225 PolarHBondContact O-N 3.43Å; K223-A235 HydrophobicContact CB-CB 3.61Å; K223-A235 HydrophobicContact CD-CB 4.26Å; K223-A235 WeakPolarHBondContact CD-O 3.42Å; K223-F236 CarbonylContact C-O 3.22Å; K223-F236 VanDerWaalsContact C-O 3.28Å; K223-F236 VanDerWaalsContact CA-O 3.29Å; K223-F236 WeakPolarHBondContact CA-O 3.38Å; K223-K237 HydrophobicContact CG-CG 4.12Å | ||
| 224 | P | 87.9 | Confident | 87.9 | Confident | 67 Ų | 67 | 78.3 Ų | 78.3 | 44% | 0.435 | 42% | 0.415 | S | S | . | . | trans | -66.1 | -22.9 | -173.3 | -22.5 | 34.9 | 0 | 0 | 0 | 113.8 | K226 | P224-K226 PolarHBondContact O-N 3.44Š| ||
| 225 | Y | 89.7 | Confident | 88 | Confident | 67 Ų | 67 | 78.4 Ų | 78.4 | 26% | 0.263 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 93.7 | -173 | -56.8 | -82 | 0 | 0 | 0 | 110.1 | K223 A235 F236 K237 | K223-Y225 PolarHBondContact O-N 3.43Å; Y225-A235 CarbonylContact O-C 3.56Å; Y225-A235 WeakPolarHBondContact O-CA 3.24Å; Y225-F236 WeakPolarHBondContact CD2-O 3.32Å; Y225-F236 PolarHBondContact N-O 3.32Å; Y225-F236 VanDerWaalsContact N-O 3.13Å; Y225-F236 PolarHBondContact O-N 2.78Å; Y225-K237 WeakPolarHBondContact CE2-O 3.3Å |
| 226 | K | 90 | Very high | 87.9 | Confident | 160 Ų | 160 | 79.7 Ų | 79.7 | 70% | 0.696 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 145.3 | 177.1 | -62.4 | -178.2 | -178.6 | 178.7 | 0 | 110.7 | P224 A235 L242 | P224-K226 PolarHBondContact O-N 3.44Å; K226-A235 HydrophobicContact CG-CB 4.08Å; K226-L242 WeakPolarHBondContact O-CD2 3.4Å |
| 227 | C | 92.6 | Very high | 87.8 | Confident | 13 Ų | 13 | 80.1 Ų | 80.1 | 9% | 0.088 | 42% | 0.42 | C | S | . | . | trans | -65.1 | 132.9 | 169.9 | -172.6 | 0 | 0 | 0 | 0 | 109.3 | E229 C232 K234 L242 H249 | C227-E229 PolarHBondContact O-N 2.99Å; C227-C232 HydrophobicContact CB-CB 4.33Å; C227-C232 WeakPolarHBondContact CB-O 3.42Å; C227-K234 VanDerWaalsContact CB-O 3.24Å; C227-K234 WeakPolarHBondContact CB-O 3.4Å; C227-K234 PolarHBondContact N-O 3.35Å; C227-L242 HydrophobicContact CB-CD1 4.27Å; C227-H249 VanDerWaalsContact SG-CD2 3.56Å; C227-H249 PolarHBondContact SG-NE2 3.46Å | ||
| 228 | P | 86.4 | Confident | 87.6 | Confident | 97 Ų | 97 | 80 Ų | 80 | 63% | 0.63 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -76.1 | -12.7 | 178.8 | 31.1 | -35.8 | 0 | 0 | 0 | 113.2 | E230 | P228-E230 PolarHBondContact O-N 3.31Š|
| 229 | E | 87.8 | Confident | 87.6 | Confident | 91 Ų | 91 | 80.1 Ų | 80.1 | 43% | 0.425 | 43% | 0.425 | S | S | . | . | trans | -73.3 | 121.8 | 178.8 | -170.3 | 64.4 | -121.4 | 0 | 0 | 111.1 | C227 L231 C232 | C227-E229 PolarHBondContact O-N 2.99Å; E229-L231 VanDerWaalsContact C-N 3.29Å; E229-L231 PolarHBondContact O-N 3.38Å; E229-C232 HydrophobicContact CB-CB 3.89Å; E229-C232 HydrophobicContact CG-CB 4.19Å; E229-C232 CarbonylContact O-C 3.43Å; E229-C232 WeakPolarHBondContact O-CA 3.39Å; E229-C232 PolarHBondContact O-N 3.18Å | ||
| 230 | E | 82.7 | Confident | 87.6 | Confident | 174 Ų | 174 | 79 Ų | 79 | 81% | 0.813 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -33.9 | -174.5 | -66.3 | -60.1 | 145.2 | 0 | 0 | 112.7 | P228 C232 | P228-E230 PolarHBondContact O-N 3.31Å; E230-C232 PolarHBondContact O-N 3.34Å |
| 231 | L | 83.5 | Confident | 87.6 | Confident | 155 Ų | 155 | 78.5 Ų | 78.5 | 81% | 0.812 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -1.3 | 174.6 | -62.8 | 176 | 0 | 0 | 0 | 113 | E229 | E229-L231 VanDerWaalsContact C-N 3.29Å; E229-L231 PolarHBondContact O-N 3.38Å |
| 232 | C | 87.8 | Confident | 87.9 | Confident | 13 Ų | 13 | 77.9 Ų | 77.9 | 9% | 0.088 | 41% | 0.412 | C | S | . | . | trans | -125.3 | 95.6 | -178.1 | -161.1 | 0 | 0 | 0 | 0 | 113.3 | C227 E229 E230 K234 H245 H249 | C227-C232 HydrophobicContact CB-CB 4.33Å; C227-C232 WeakPolarHBondContact CB-O 3.42Å; E229-C232 HydrophobicContact CB-CB 3.89Å; E229-C232 HydrophobicContact CG-CB 4.19Å; E229-C232 CarbonylContact O-C 3.43Å; E229-C232 WeakPolarHBondContact O-CA 3.39Å; E229-C232 PolarHBondContact O-N 3.18Å; E230-C232 PolarHBondContact O-N 3.34Å; C232-K234 PolarHBondContact O-N 3.27Å; C232-H245 PolarHBondContact SG-NE2 2.73Å; C232-H249 WeakPolarHBondContact CB-NE2 3.43Å; C232-H249 PolarHBondContact SG-CE1 3.29Å; C232-H249 PolarHBondContact SG-NE2 3.28Å; C232-H249 VanDerWaalsContact SG-NE2 3.44Å | ||
| 233 | S | 87.1 | Confident | 87.9 | Confident | 125 Ų | 125 | 77.9 Ų | 77.9 | 87% | 0.874 | 41% | 0.412 | S | S | * | . | trans | -76.9 | 20.9 | 176.6 | -37.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 234 | K | 88.1 | Confident | 87.8 | Confident | 126 Ų | 126 | 77 Ų | 77 | 55% | 0.548 | 41% | 0.408 | S | S | . | . | trans | -79.8 | 137.7 | -177.3 | -72.4 | 178.8 | -177.6 | 168.2 | 0 | 111.3 | C227 C232 F236 | C227-K234 VanDerWaalsContact CB-O 3.24Å; C227-K234 WeakPolarHBondContact CB-O 3.4Å; C227-K234 PolarHBondContact N-O 3.35Å; C232-K234 PolarHBondContact O-N 3.27Å; K234-F236 HydrophobicContact CB-CE2 3.96Å; K234-F236 HydrophobicContact CB-CZ 4.03Å | ||
| 235 | A | 89.4 | Confident | 87.9 | Confident | 27 Ų | 27 | 74.5 Ų | 74.5 | 22% | 0.223 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 149.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K223 Y225 K226 | K223-A235 HydrophobicContact CB-CB 3.61Å; K223-A235 HydrophobicContact CD-CB 4.26Å; K223-A235 WeakPolarHBondContact CD-O 3.42Å; Y225-A235 CarbonylContact O-C 3.56Å; Y225-A235 WeakPolarHBondContact O-CA 3.24Å; K226-A235 HydrophobicContact CG-CB 4.08Å |
| 236 | F | 89.4 | Confident | 87.8 | Confident | 43 Ų | 43 | 72.9 Ų | 72.9 | 19% | 0.189 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 155.2 | -170.1 | -58.2 | -89.5 | 0 | 0 | 0 | 112.1 | K223 Y225 K234 D241 L242 H245 | K223-F236 CarbonylContact C-O 3.22Å; K223-F236 VanDerWaalsContact C-O 3.28Å; K223-F236 VanDerWaalsContact CA-O 3.29Å; K223-F236 WeakPolarHBondContact CA-O 3.38Å; Y225-F236 WeakPolarHBondContact CD2-O 3.32Å; Y225-F236 PolarHBondContact N-O 3.32Å; Y225-F236 VanDerWaalsContact N-O 3.13Å; Y225-F236 PolarHBondContact O-N 2.78Å; K234-F236 HydrophobicContact CB-CE2 3.96Å; K234-F236 HydrophobicContact CB-CZ 4.03Å; F236-D241 HydrophobicContact CB-CB 4.22Å; F236-D241 HydrophobicContact CD1-CB 3.99Å; F236-D241 HydrophobicContact CG-CB 4.38Å; F236-L242 HydrophobicContact CB-CB 4.24Å; F236-L242 HydrophobicContact CD2-CB 3.95Å; F236-L242 HydrophobicContact CD2-CD1 3.87Å; F236-L242 HydrophobicContact CE2-CD1 4.16Å; F236-L242 HydrophobicContact CG-CB 4.26Å; F236-H245 HydrophobicContact CE1-CB 3.79Å; F236-H245 HydrophobicContact CE2-CB 3.69Å; F236-H245 AromaticContact CE2-CD2 3.17Å; F236-H245 WeakPolarHBondContact CE2-CD2 3.36Å; F236-H245 AromaticContact CE2-CG 3.53Å; F236-H245 HydrophobicContact CZ-CB 3.27Å; F236-H245 AromaticContact CZ-CD2 3.29Å; F236-H245 WeakPolarHBondContact CZ-CD2 3.38Å; F236-H245 AromaticContact CZ-CG 3.16Å; F236-H245 AromaticContact CZ-ND1 3.92Å |
| 237 | K | 86.6 | Confident | 87.7 | Confident | 63 Ų | 63 | 67.9 Ų | 67.9 | 27% | 0.274 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -81.5 | -21.6 | -179.5 | -62.4 | 179 | 176.7 | 172.9 | 0 | 112.9 | R217 T218 K223 Y225 | R217-K237 HydrophobicContact CB-CB 4.42Å; R217-K237 HydrophobicContact CB-CD 4.45Å; R217-K237 HydrophobicContact CB-CG 4.38Å; R217-K237 WeakPolarHBondContact CD-O 3.49Å; R217-K237 PolarHBondContact NH1-O 3.29Å; R217-K237 WeakPolarHBondContact O-CE 3.47Å; T218-K237 HydrophobicContact CG2-CD 4.13Å; K223-K237 HydrophobicContact CG-CG 4.12Å; Y225-K237 WeakPolarHBondContact CE2-O 3.3Å |
| 238 | T | 87.4 | Confident | 87.4 | Confident | 20 Ų | 20 | 70.6 Ų | 70.6 | 12% | 0.123 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -134.8 | 149.5 | -179.2 | 75.8 | 0 | 0 | 0 | 0 | 110.7 | S214 G240 D241 L242 | S214-T238 VanDerWaalsContact OG-CG2 3.27Å; S214-T238 WeakPolarHBondContact OG-CG2 3.32Å; T238-G240 VanDerWaalsContact C-N 3.28Å; T238-G240 PolarHBondContact O-N 3.15Å; T238-D241 PolarHBondContact O-N 3.5Å; T238-D241 WeakPolarHBondContact OG1-CB 3.48Å; T238-D241 PolarHBondContact OG1-N 3.46Å; T238-D241 VanDerWaalsContact OG1-N 3.14Å; T238-D241 PolarHBondContact OG1-OD2 2.79Å; T238-L242 PolarHBondContact O-N 3.37Å |
| 239 | S | 87.4 | Confident | 87.4 | Confident | 56 Ų | 56 | 68.3 Ų | 68.3 | 39% | 0.392 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.4 | -37.7 | 174.4 | 55.3 | 0 | 0 | 0 | 0 | 111.7 | D241 L242 Q243 | S239-D241 VanDerWaalsContact C-N 3.3Å; S239-D241 PolarHBondContact O-N 3.45Å; S239-L242 WeakPolarHBondContact O-CB 3.48Å; S239-L242 PolarHBondContact O-N 3.42Å; S239-Q243 WeakPolarHBondContact O-CG 3.29Å; S239-Q243 PolarHBondContact O-N 3.47Å |
| 240 | G | 86.3 | Confident | 87.3 | Confident | 33 Ų | 33 | 67.8 Ų | 67.8 | 34% | 0.34 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.7 | -32.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | T238 K244 | T238-G240 VanDerWaalsContact C-N 3.28Å; T238-G240 PolarHBondContact O-N 3.15Å; G240-K244 WeakPolarHBondContact O-CE 3.49Å; G240-K244 VanDerWaalsContact O-CG 3.29Å; G240-K244 WeakPolarHBondContact O-CG 3.17Å; G240-K244 PolarHBondContact O-N 3.34Å |
| 241 | D | 87.8 | Confident | 87.5 | Confident | 60 Ų | 60 | 61.7 Ų | 61.7 | 32% | 0.321 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -77.5 | -36.4 | 175.3 | -63.6 | -34.6 | 0 | 0 | 0 | 112 | F236 T238 S239 K244 H245 | F236-D241 HydrophobicContact CB-CB 4.22Å; F236-D241 HydrophobicContact CD1-CB 3.99Å; F236-D241 HydrophobicContact CG-CB 4.38Å; T238-D241 PolarHBondContact O-N 3.5Å; T238-D241 WeakPolarHBondContact OG1-CB 3.48Å; T238-D241 PolarHBondContact OG1-N 3.46Å; T238-D241 VanDerWaalsContact OG1-N 3.14Å; T238-D241 PolarHBondContact OG1-OD2 2.79Å; S239-D241 VanDerWaalsContact C-N 3.3Å; S239-D241 PolarHBondContact O-N 3.45Å; D241-K244 PolarHBondContact O-N 2.95Å; D241-K244 IonicContact OD1-NZ 2.83Å; D241-K244 PolarHBondContact OD1-NZ 3.23Å; D241-H245 WeakPolarHBondContact O-CB 3.47Å; D241-H245 PolarHBondContact O-N 3.04Å |
| 242 | L | 91.1 | Very high | 87.6 | Confident | 22 Ų | 22 | 59.7 Ų | 59.7 | 12% | 0.115 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58 | -49 | 168.9 | 170.2 | 62.8 | 0 | 0 | 0 | 110.7 | K226 C227 F236 T238 S239 K244 H245 V246 | K226-L242 WeakPolarHBondContact O-CD2 3.4Å; C227-L242 HydrophobicContact CB-CD1 4.27Å; F236-L242 HydrophobicContact CB-CB 4.24Å; F236-L242 HydrophobicContact CD2-CB 3.95Å; F236-L242 HydrophobicContact CD2-CD1 3.87Å; F236-L242 HydrophobicContact CE2-CD1 4.16Å; F236-L242 HydrophobicContact CG-CB 4.26Å; T238-L242 PolarHBondContact O-N 3.37Å; S239-L242 WeakPolarHBondContact O-CB 3.48Å; S239-L242 PolarHBondContact O-N 3.42Å; L242-K244 VanDerWaalsContact C-N 3.32Å; L242-K244 PolarHBondContact O-N 3.4Å; L242-H245 CarbonylContact O-C 3.47Å; L242-H245 WeakPolarHBondContact O-CA 3.42Å; L242-H245 WeakPolarHBondContact O-CB 3.36Å; L242-H245 PolarHBondContact O-N 3.19Å; L242-V246 HydrophobicContact CD1-CG2 3.86Å; L242-V246 HydrophobicContact CG-CG2 4.25Å; L242-V246 WeakPolarHBondContact O-CG2 3.47Å; L242-V246 PolarHBondContact O-N 3.3Å |
| 243 | Q | 88.3 | Confident | 87.7 | Confident | 109 Ų | 109 | 65.8 Ų | 65.8 | 51% | 0.509 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.1 | -39.8 | 179.3 | -74.4 | -64.6 | -29 | 0 | 0 | 112.7 | S239 H245 V246 R247 | S239-Q243 WeakPolarHBondContact O-CG 3.29Å; S239-Q243 PolarHBondContact O-N 3.47Å; Q243-H245 VanDerWaalsContact C-N 3.29Å; Q243-H245 PolarHBondContact O-N 3.41Å; Q243-V246 PolarHBondContact O-N 2.8Å; Q243-R247 PolarHBondContact O-N 2.69Å |
| 244 | K | 87.4 | Confident | 87.8 | Confident | 95 Ų | 95 | 63.2 Ų | 63.2 | 41% | 0.413 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65 | -34.7 | 172.8 | -69.4 | 169.2 | -149.8 | 154.4 | 0 | 112.2 | G240 D241 L242 T268 | G240-K244 WeakPolarHBondContact O-CE 3.49Å; G240-K244 VanDerWaalsContact O-CG 3.29Å; G240-K244 WeakPolarHBondContact O-CG 3.17Å; G240-K244 PolarHBondContact O-N 3.34Å; D241-K244 PolarHBondContact O-N 2.95Å; D241-K244 IonicContact OD1-NZ 2.83Å; D241-K244 PolarHBondContact OD1-NZ 3.23Å; L242-K244 VanDerWaalsContact C-N 3.32Å; L242-K244 PolarHBondContact O-N 3.4Å; K244-T268 HydrophobicContact CD-CG2 4.38Å; K244-T268 HydrophobicContact CG-CG2 4.33Å |
| 245 | H | 89.1 | Confident | 87.9 | Confident | 16 Ų | 16 | 59.6 Ų | 59.6 | 7% | 0.074 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -72.5 | -41.8 | 177 | 170.8 | 53.2 | 0 | 0 | 0 | 112.4 | C232 F236 D241 L242 Q243 R247 T248 H249 | C232-H245 PolarHBondContact SG-NE2 2.73Å; F236-H245 HydrophobicContact CE1-CB 3.79Å; F236-H245 HydrophobicContact CE2-CB 3.69Å; F236-H245 AromaticContact CE2-CD2 3.17Å; F236-H245 WeakPolarHBondContact CE2-CD2 3.36Å; F236-H245 AromaticContact CE2-CG 3.53Å; F236-H245 HydrophobicContact CZ-CB 3.27Å; F236-H245 AromaticContact CZ-CD2 3.29Å; F236-H245 WeakPolarHBondContact CZ-CD2 3.38Å; F236-H245 AromaticContact CZ-CG 3.16Å; F236-H245 AromaticContact CZ-ND1 3.92Å; D241-H245 WeakPolarHBondContact O-CB 3.47Å; D241-H245 PolarHBondContact O-N 3.04Å; L242-H245 CarbonylContact O-C 3.47Å; L242-H245 WeakPolarHBondContact O-CA 3.42Å; L242-H245 WeakPolarHBondContact O-CB 3.36Å; L242-H245 PolarHBondContact O-N 3.19Å; Q243-H245 VanDerWaalsContact C-N 3.29Å; Q243-H245 PolarHBondContact O-N 3.41Å; H245-R247 PolarHBondContact O-N 3.42Å; H245-R247 VanDerWaalsContact O-N 3.15Å; H245-T248 PolarHBondContact ND1-OG1 3.22Å; H245-T248 WeakPolarHBondContact O-CA 3.41Å; H245-T248 VanDerWaalsContact O-CB 3.32Å; H245-T248 WeakPolarHBondContact O-CB 3.34Å; H245-T248 WeakPolarHBondContact O-CG2 3.27Å; H245-T248 PolarHBondContact O-N 2.87Å; H245-T248 PolarHBondContact O-OG1 3.13Å; H245-H249 AromaticContact CD2-NE2 3.98Å; H245-H249 AromaticContact CE1-CE1 3.66Å; H245-H249 AromaticContact CE1-NE2 3.41Å; H245-H249 PolarHBondContact CE1-NE2 3.11Å; H245-H249 AromaticContact NE2-CE1 3.8Å; H245-H249 AromaticContact NE2-NE2 3.13Å; H245-H249 PolarHBondContact NE2-NE2 3.41Å; H245-H249 VanDerWaalsContact NE2-NE2 3.13Å |
| 246 | V | 87.5 | Confident | 88.1 | Confident | 32 Ų | 32 | 67.5 Ų | 67.5 | 19% | 0.194 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.7 | -34.2 | 178.7 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | L242 Q243 T248 H249 T250 | L242-V246 HydrophobicContact CD1-CG2 3.86Å; L242-V246 HydrophobicContact CG-CG2 4.25Å; L242-V246 WeakPolarHBondContact O-CG2 3.47Å; L242-V246 PolarHBondContact O-N 3.3Å; Q243-V246 PolarHBondContact O-N 2.8Å; V246-T248 PolarHBondContact O-N 2.77Å; V246-H249 WeakPolarHBondContact O-CB 3.48Å; V246-H249 PolarHBondContact O-N 3.44Å; V246-T250 HydrophobicContact CG1-CG2 4.1Å; V246-T250 PolarHBondContact O-N 3.18Å; V246-T250 VanDerWaalsContact O-N 3.1Å |
| 247 | R | 88.5 | Confident | 88.3 | Confident | 56 Ų | 56 | 66.2 Ų | 66.2 | 21% | 0.211 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -17 | 171.9 | -64.9 | 179.9 | -168.5 | 148.8 | 8.2 | 114.9 | Q243 H245 H249 T250 G251 E252 T267 | Q243-R247 PolarHBondContact O-N 2.69Å; H245-R247 PolarHBondContact O-N 3.42Å; H245-R247 VanDerWaalsContact O-N 3.15Å; R247-H249 VanDerWaalsContact C-N 3.35Å; R247-T250 WeakPolarHBondContact CA-OG1 3.33Å; R247-G251 WeakPolarHBondContact O-CA 3.44Å; R247-G251 PolarHBondContact O-N 3.12Å; R247-E252 HydrophobicContact CB-CB 4.41Å; R247-E252 HydrophobicContact CG-CB 4.15Å; R247-E252 PolarHBondContact O-N 3.46Å; R247-T267 PolarHBondContact NH1-O 3.43Å |
| 248 | T | 86.9 | Confident | 88.5 | Confident | 70 Ų | 70 | 67.4 Ų | 67.4 | 43% | 0.429 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -20.5 | 173.6 | 71.2 | 0 | 0 | 0 | 0 | 112.9 | H245 V246 | H245-T248 PolarHBondContact ND1-OG1 3.22Å; H245-T248 WeakPolarHBondContact O-CA 3.41Å; H245-T248 VanDerWaalsContact O-CB 3.32Å; H245-T248 WeakPolarHBondContact O-CB 3.34Å; H245-T248 WeakPolarHBondContact O-CG2 3.27Å; H245-T248 PolarHBondContact O-N 2.87Å; H245-T248 PolarHBondContact O-OG1 3.13Å; V246-T248 PolarHBondContact O-N 2.77Å |
| 249 | H | 85.3 | Confident | 88.6 | Confident | 48 Ų | 48 | 70.1 Ų | 70.1 | 22% | 0.222 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -45.9 | 174.2 | -57.1 | -44.3 | 0 | 0 | 0 | 110.5 | C227 C232 H245 V246 R247 G251 | C227-H249 VanDerWaalsContact SG-CD2 3.56Å; C227-H249 PolarHBondContact SG-NE2 3.46Å; C232-H249 WeakPolarHBondContact CB-NE2 3.43Å; C232-H249 PolarHBondContact SG-CE1 3.29Å; C232-H249 PolarHBondContact SG-NE2 3.28Å; C232-H249 VanDerWaalsContact SG-NE2 3.44Å; H245-H249 AromaticContact CD2-NE2 3.98Å; H245-H249 AromaticContact CE1-CE1 3.66Å; H245-H249 AromaticContact CE1-NE2 3.41Å; H245-H249 PolarHBondContact CE1-NE2 3.11Å; H245-H249 AromaticContact NE2-CE1 3.8Å; H245-H249 AromaticContact NE2-NE2 3.13Å; H245-H249 PolarHBondContact NE2-NE2 3.41Å; H245-H249 VanDerWaalsContact NE2-NE2 3.13Å; V246-H249 WeakPolarHBondContact O-CB 3.48Å; V246-H249 PolarHBondContact O-N 3.44Å; R247-H249 VanDerWaalsContact C-N 3.35Å; H249-G251 VanDerWaalsContact C-N 3.25Å; H249-G251 PolarHBondContact O-N 3.45Å |
| 250 | T | 85.6 | Confident | 88.7 | Confident | 80 Ų | 80 | 76.3 Ų | 76.3 | 49% | 0.491 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -76.5 | -11.5 | -179.2 | 65.3 | 0 | 0 | 0 | 0 | 113.8 | V246 R247 E252 | V246-T250 HydrophobicContact CG1-CG2 4.1Å; V246-T250 PolarHBondContact O-N 3.18Å; V246-T250 VanDerWaalsContact O-N 3.1Å; R247-T250 WeakPolarHBondContact CA-OG1 3.33Å; T250-E252 PolarHBondContact O-N 3.32Å; T250-E252 VanDerWaalsContact O-N 3.13Å; T250-E252 WeakPolarHBondContact OG1-CG 3.29Å; T250-E252 PolarHBondContact OG1-N 3.47Å |
| 251 | G | 86.3 | Confident | 88.7 | Confident | 46 Ų | 46 | 78.9 Ų | 78.9 | 47% | 0.474 | 41% | 0.414 | S | S | . | . | trans | 68.9 | 3.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R247 H249 R253 | R247-G251 WeakPolarHBondContact O-CA 3.44Å; R247-G251 PolarHBondContact O-N 3.12Å; H249-G251 VanDerWaalsContact C-N 3.25Å; H249-G251 PolarHBondContact O-N 3.45Å; G251-R253 PolarHBondContact O-N 2.96Å | ||
| 252 | E | 87.2 | Confident | 88.9 | Confident | 114 Ų | 114 | 77.2 Ų | 77.2 | 53% | 0.533 | 41% | 0.407 | S | S | . | . | trans | -60.1 | 126.9 | -176.8 | -79.9 | -175.5 | -176 | 0 | 0 | 112.6 | R247 T250 P254 | R247-E252 HydrophobicContact CB-CB 4.41Å; R247-E252 HydrophobicContact CG-CB 4.15Å; R247-E252 PolarHBondContact O-N 3.46Å; T250-E252 PolarHBondContact O-N 3.32Å; T250-E252 VanDerWaalsContact O-N 3.13Å; T250-E252 WeakPolarHBondContact OG1-CG 3.29Å; T250-E252 PolarHBondContact OG1-N 3.47Å; E252-P254 WeakPolarHBondContact O-CD 3.42Å | ||
| 253 | R | 89 | Confident | 88.7 | Confident | 141 Ų | 141 | 79.2 Ų | 79.2 | 53% | 0.532 | 43% | 0.433 | S | S | . | . | trans | -124.9 | 76.1 | 178 | -73.5 | 173.2 | 142.6 | -164.6 | -2.7 | 111.3 | G251 F255 S265 F266 T267 | G251-R253 PolarHBondContact O-N 2.96Å; R253-F255 PolarHBondContact O-N 3.47Å; R253-F255 VanDerWaalsContact O-N 3.1Å; R253-S265 VanDerWaalsContact CB-OG 3.3Å; R253-S265 WeakPolarHBondContact CB-OG 3.29Å; R253-S265 WeakPolarHBondContact CD-O 3.49Å; R253-S265 WeakPolarHBondContact CD-OG 3.33Å; R253-S265 VanDerWaalsContact CZ-O 3.24Å; R253-S265 PolarHBondContact NE-O 3.04Å; R253-S265 PolarHBondContact NH1-O 3.27Å; R253-F266 CarbonylContact C-O 3.46Å; R253-F266 VanDerWaalsContact C-O 3.3Å; R253-F266 WeakPolarHBondContact CA-O 3.35Å; R253-T267 HydrophobicContact CG-CG2 3.94Å | ||
| 254 | P | 89 | Confident | 88.8 | Confident | 70 Ų | 70 | 80 Ų | 80 | 46% | 0.455 | 43% | 0.432 | S | S | . | . | trans | -64.3 | -20.4 | -173.3 | -23 | 34.3 | 0 | 0 | 0 | 114.2 | E252 R256 | E252-P254 WeakPolarHBondContact O-CD 3.42Å; P254-R256 PolarHBondContact O-N 3.31Å | ||
| 255 | F | 91.6 | Very high | 88.9 | Confident | 50 Ų | 50 | 76.8 Ų | 76.8 | 22% | 0.219 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 86.3 | -171.2 | -56.6 | -78.9 | 0 | 0 | 0 | 111.1 | R253 F266 T267 T268 S269 R272 | R253-F255 PolarHBondContact O-N 3.47Å; R253-F255 VanDerWaalsContact O-N 3.1Å; F255-F266 HydrophobicContact CB-CB 4.37Å; F255-F266 WeakPolarHBondContact CB-O 3.47Å; F255-F266 WeakPolarHBondContact CD2-O 3.28Å; F255-F266 PolarHBondContact N-O 2.94Å; F255-F266 WeakPolarHBondContact O-CD2 3.44Å; F255-F266 PolarHBondContact O-N 3.1Å; F255-T267 WeakPolarHBondContact CE2-O 3.44Å; F255-T268 VanDerWaalsContact CD2-CA 3.41Å; F255-S269 VanDerWaalsContact CD2-N 3.33Å; F255-R272 HydrophobicContact CB-CB 4.03Å |
| 256 | R | 91.9 | Very high | 89 | Confident | 193 Ų | 193 | 77.3 Ų | 77.3 | 73% | 0.728 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 143.1 | 174 | -66.7 | -173.5 | -177.9 | 176.9 | 0.9 | 112.6 | P254 R272 | P254-R256 PolarHBondContact O-N 3.31Å; R256-R272 WeakPolarHBondContact O-CD 3.49Å |
| 257 | C | 93.6 | Very high | 88.9 | Confident | 16 Ų | 16 | 77.4 Ų | 77.4 | 11% | 0.108 | 42% | 0.424 | C | S | . | . | trans | -63.1 | 131.9 | 171.6 | -171.1 | 0 | 0 | 0 | 0 | 109.5 | F259 C262 R264 F266 H275 | C257-F259 VanDerWaalsContact C-N 3.25Å; C257-F259 PolarHBondContact O-N 2.85Å; C257-C262 HydrophobicContact CB-CB 4.29Å; C257-R264 VanDerWaalsContact CB-O 3.27Å; C257-R264 WeakPolarHBondContact CB-O 3.37Å; C257-R264 PolarHBondContact N-O 2.77Å; C257-F266 HydrophobicContact CB-CE2 4.5Å; C257-H275 VanDerWaalsContact SG-CD2 3.6Å | ||
| 258 | P | 91.4 | Very high | 88.9 | Confident | 88 Ų | 88 | 76.3 Ų | 76.3 | 57% | 0.571 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -78.3 | -4.9 | -180 | 33 | -37.2 | 0 | 0 | 0 | 113.9 | V276 | P258-V276 HydrophobicContact CG-CG2 3.93Š|
| 259 | F | 90.4 | Very high | 89 | Confident | 77 Ų | 77 | 75.2 Ų | 75.2 | 34% | 0.338 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -84.5 | 122.4 | 178.4 | -74.1 | -85.8 | 0 | 0 | 0 | 110.7 | C257 C262 V276 H279 T280 | C257-F259 VanDerWaalsContact C-N 3.25Å; C257-F259 PolarHBondContact O-N 2.85Å; F259-C262 HydrophobicContact CB-CB 4.34Å; F259-C262 WeakPolarHBondContact O-CB 3.4Å; F259-C262 PolarHBondContact O-N 3.39Å; F259-V276 HydrophobicContact CE2-CB 4.42Å; F259-V276 HydrophobicContact CE2-CG1 3.9Å; F259-V276 HydrophobicContact CE2-CG2 4.45Å; F259-H279 HydrophobicContact CD1-CB 3.99Å; F259-H279 HydrophobicContact CD2-CB 3.53Å; F259-H279 AromaticContact CD2-CD2 3.43Å; F259-H279 VanDerWaalsContact CD2-CD2 3.43Å; F259-H279 WeakPolarHBondContact CD2-CD2 3.48Å; F259-H279 AromaticContact CD2-CG 3.56Å; F259-H279 HydrophobicContact CE1-CB 3.88Å; F259-H279 HydrophobicContact CE2-CB 3.38Å; F259-H279 AromaticContact CE2-CG 3.94Å; F259-H279 HydrophobicContact CG-CB 3.83Å; F259-H279 AromaticContact CG-CD2 3.93Å; F259-H279 AromaticContact CG-CG 3.76Å; F259-H279 HydrophobicContact CZ-CB 3.59Å; F259-T280 HydrophobicContact CE2-CG2 4.27Å; F259-T280 HydrophobicContact CZ-CG2 3.69Å |
| 260 | E | 88.6 | Confident | 89.2 | Confident | 187 Ų | 187 | 78.1 Ų | 78.1 | 87% | 0.874 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 137 | 174.6 | -62.9 | -57 | 149.6 | 0 | 0 | 111 | C262 | E260-C262 VanDerWaalsContact C-N 3.28Å; E260-C262 PolarHBondContact O-N 3.2Å |
| 261 | G | 86.4 | Confident | 89.4 | Confident | 86 Ų | 86 | 78.3 Ų | 78.3 | 89% | 0.887 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | -7.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 262 | C | 92.1 | Very high | 89.7 | Confident | 25 Ų | 25 | 79.7 Ų | 79.7 | 17% | 0.169 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -37.7 | 175.1 | -175.4 | 0 | 0 | 0 | 0 | 112.9 | C257 F259 E260 R264 H275 H279 | C257-C262 HydrophobicContact CB-CB 4.29Å; F259-C262 HydrophobicContact CB-CB 4.34Å; F259-C262 WeakPolarHBondContact O-CB 3.4Å; F259-C262 PolarHBondContact O-N 3.39Å; E260-C262 VanDerWaalsContact C-N 3.28Å; E260-C262 PolarHBondContact O-N 3.2Å; C262-R264 PolarHBondContact O-N 2.78Å; C262-H275 PolarHBondContact SG-NE2 3.06Å; C262-H279 VanDerWaalsContact SG-CE1 3.58Å; C262-H279 PolarHBondContact SG-NE2 3.38Å |
| 263 | G | 87.4 | Confident | 89.9 | Confident | 65 Ų | 65 | 79.9 Ų | 79.9 | 67% | 0.67 | 42% | 0.423 | S | S | * | . | trans | 64.2 | -16.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 264 | R | 88.8 | Confident | 90 | Very high | 126 Ų | 126 | 74.7 Ų | 74.7 | 48% | 0.475 | 41% | 0.407 | S | S | . | . | trans | -67.4 | 136.3 | -170.3 | -73.7 | -177.8 | 170.5 | -173.8 | -2.3 | 113.2 | C257 C262 F266 | C257-R264 VanDerWaalsContact CB-O 3.27Å; C257-R264 WeakPolarHBondContact CB-O 3.37Å; C257-R264 PolarHBondContact N-O 2.77Å; C262-R264 PolarHBondContact O-N 2.78Å; R264-F266 HydrophobicContact CB-CE2 4.07Å; R264-F266 HydrophobicContact CB-CZ 3.94Å | ||
| 265 | S | 90.8 | Very high | 90.2 | Very high | 27 Ų | 27 | 72.4 Ų | 72.4 | 19% | 0.189 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 148 | 178.6 | 61.3 | 0 | 0 | 0 | 0 | 111.1 | R253 | R253-S265 VanDerWaalsContact CB-OG 3.3Å; R253-S265 WeakPolarHBondContact CB-OG 3.29Å; R253-S265 WeakPolarHBondContact CD-O 3.49Å; R253-S265 WeakPolarHBondContact CD-OG 3.33Å; R253-S265 VanDerWaalsContact CZ-O 3.24Å; R253-S265 PolarHBondContact NE-O 3.04Å; R253-S265 PolarHBondContact NH1-O 3.27Å |
| 266 | F | 89.8 | Confident | 90.2 | Very high | 26 Ų | 26 | 71.7 Ų | 71.7 | 11% | 0.114 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 151.2 | -174.2 | -56.1 | -83 | 0 | 0 | 0 | 111.7 | R253 F255 C257 R264 T268 I271 R272 H275 | R253-F266 CarbonylContact C-O 3.46Å; R253-F266 VanDerWaalsContact C-O 3.3Å; R253-F266 WeakPolarHBondContact CA-O 3.35Å; F255-F266 HydrophobicContact CB-CB 4.37Å; F255-F266 WeakPolarHBondContact CB-O 3.47Å; F255-F266 WeakPolarHBondContact CD2-O 3.28Å; F255-F266 PolarHBondContact N-O 2.94Å; F255-F266 WeakPolarHBondContact O-CD2 3.44Å; F255-F266 PolarHBondContact O-N 3.1Å; C257-F266 HydrophobicContact CB-CE2 4.5Å; R264-F266 HydrophobicContact CB-CE2 4.07Å; R264-F266 HydrophobicContact CB-CZ 3.94Å; F266-T268 VanDerWaalsContact C-N 3.31Å; F266-T268 PolarHBondContact O-N 2.87Å; F266-I271 HydrophobicContact CB-CB 4.42Å; F266-I271 HydrophobicContact CB-CG2 4.37Å; F266-I271 HydrophobicContact CD1-CB 4.35Å; F266-I271 HydrophobicContact CD1-CG2 3.44Å; F266-I271 VanDerWaalsContact CD1-CG2 3.44Å; F266-I271 HydrophobicContact CE1-CG2 4.04Å; F266-I271 HydrophobicContact CG-CG2 4.1Å; F266-R272 HydrophobicContact CB-CB 4.21Å; F266-R272 HydrophobicContact CD2-CB 3.63Å; F266-R272 HydrophobicContact CD2-CG 3.88Å; F266-R272 HydrophobicContact CE2-CB 4.4Å; F266-R272 HydrophobicContact CE2-CG 4.35Å; F266-R272 HydrophobicContact CG-CB 4.15Å; F266-H275 HydrophobicContact CE1-CB 4.05Å; F266-H275 HydrophobicContact CE2-CB 3.84Å; F266-H275 AromaticContact CE2-CD2 3.35Å; F266-H275 WeakPolarHBondContact CE2-CD2 3.33Å; F266-H275 AromaticContact CE2-CG 3.66Å; F266-H275 HydrophobicContact CZ-CB 3.44Å; F266-H275 VanDerWaalsContact CZ-CB 3.44Å; F266-H275 AromaticContact CZ-CD2 3.33Å; F266-H275 WeakPolarHBondContact CZ-CD2 3.35Å; F266-H275 AromaticContact CZ-CG 3.2Å; F266-H275 AromaticContact CZ-ND1 3.8Å; F266-H275 AromaticContact CZ-NE2 3.96Å |
| 267 | T | 87.3 | Confident | 90.2 | Very high | 35 Ų | 35 | 65.2 Ų | 65.2 | 22% | 0.215 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -74.1 | -22 | 178.6 | 56.6 | 0 | 0 | 0 | 0 | 113 | R247 R253 F255 | R247-T267 PolarHBondContact NH1-O 3.43Å; R253-T267 HydrophobicContact CG-CG2 3.94Å; F255-T267 WeakPolarHBondContact CE2-O 3.44Å |
| 268 | T | 87.9 | Confident | 90 | Very high | 32 Ų | 32 | 68.4 Ų | 68.4 | 20% | 0.196 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -136.6 | 147.6 | 178.3 | 68.1 | 0 | 0 | 0 | 0 | 112.8 | K244 F255 F266 N270 I271 R272 | K244-T268 HydrophobicContact CD-CG2 4.38Å; K244-T268 HydrophobicContact CG-CG2 4.33Å; F255-T268 VanDerWaalsContact CD2-CA 3.41Å; F266-T268 VanDerWaalsContact C-N 3.31Å; F266-T268 PolarHBondContact O-N 2.87Å; T268-N270 VanDerWaalsContact C-N 3.28Å; T268-N270 PolarHBondContact O-N 3.22Å; T268-I271 PolarHBondContact O-N 3.5Å; T268-I271 VanDerWaalsContact OG1-CD1 3.25Å; T268-I271 WeakPolarHBondContact OG1-CD1 3.15Å; T268-I271 WeakPolarHBondContact OG1-CG1 3.43Å; T268-R272 PolarHBondContact O-N 2.98Å |
| 269 | S | 89.8 | Confident | 90 | Very high | 48 Ų | 48 | 67.9 Ų | 67.9 | 34% | 0.336 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.3 | -32.2 | 179.9 | 64.4 | 0 | 0 | 0 | 0 | 113.2 | F255 R272 K273 | F255-S269 VanDerWaalsContact CD2-N 3.33Å; S269-R272 PolarHBondContact O-N 3.44Å; S269-K273 WeakPolarHBondContact O-CG 3.42Å; S269-K273 PolarHBondContact O-N 2.87Å |
| 270 | N | 88.5 | Confident | 90 | Very high | 108 Ų | 108 | 67.3 Ų | 67.3 | 58% | 0.578 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -68.3 | -42 | -180 | -169 | 57.2 | 0 | 0 | 0 | 111.8 | T268 R272 K273 V274 | T268-N270 VanDerWaalsContact C-N 3.28Å; T268-N270 PolarHBondContact O-N 3.22Å; N270-R272 VanDerWaalsContact C-N 3.34Å; N270-K273 PolarHBondContact O-N 3.26Å; N270-V274 WeakPolarHBondContact O-CG2 3.47Å; N270-V274 PolarHBondContact O-N 3.37Å |
| 271 | I | 88.9 | Confident | 90 | Very high | 84 Ų | 84 | 60.8 Ų | 60.8 | 43% | 0.431 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 175.6 | -62.2 | 170.5 | 0 | 0 | 0 | 109.6 | F266 T268 K273 V274 H275 | F266-I271 HydrophobicContact CB-CB 4.42Å; F266-I271 HydrophobicContact CB-CG2 4.37Å; F266-I271 HydrophobicContact CD1-CB 4.35Å; F266-I271 HydrophobicContact CD1-CG2 3.44Å; F266-I271 VanDerWaalsContact CD1-CG2 3.44Å; F266-I271 HydrophobicContact CE1-CG2 4.04Å; F266-I271 HydrophobicContact CG-CG2 4.1Å; T268-I271 PolarHBondContact O-N 3.5Å; T268-I271 VanDerWaalsContact OG1-CD1 3.25Å; T268-I271 WeakPolarHBondContact OG1-CD1 3.15Å; T268-I271 WeakPolarHBondContact OG1-CG1 3.43Å; I271-K273 VanDerWaalsContact C-N 3.35Å; I271-K273 PolarHBondContact O-N 3.37Å; I271-V274 PolarHBondContact O-N 3.17Å; I271-H275 WeakPolarHBondContact O-CB 3.36Å; I271-H275 PolarHBondContact O-N 2.98Å |
| 272 | R | 93.3 | Very high | 90.3 | Very high | 75 Ų | 75 | 62 Ų | 62 | 28% | 0.283 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -55.6 | -47.7 | 172.6 | -176.5 | -166.7 | 62.7 | -168.6 | 6.7 | 111.8 | F255 R256 F266 T268 S269 N270 V274 H275 V276 | F255-R272 HydrophobicContact CB-CB 4.03Å; R256-R272 WeakPolarHBondContact O-CD 3.49Å; F266-R272 HydrophobicContact CB-CB 4.21Å; F266-R272 HydrophobicContact CD2-CB 3.63Å; F266-R272 HydrophobicContact CD2-CG 3.88Å; F266-R272 HydrophobicContact CE2-CB 4.4Å; F266-R272 HydrophobicContact CE2-CG 4.35Å; F266-R272 HydrophobicContact CG-CB 4.15Å; T268-R272 PolarHBondContact O-N 2.98Å; S269-R272 PolarHBondContact O-N 3.44Å; N270-R272 VanDerWaalsContact C-N 3.34Å; R272-V274 VanDerWaalsContact C-N 3.33Å; R272-V274 PolarHBondContact O-N 3.18Å; R272-H275 WeakPolarHBondContact O-CB 2.98Å; R272-H275 PolarHBondContact O-N 3.14Å; R272-H275 VanDerWaalsContact O-N 3.16Å; R272-V276 HydrophobicContact CG-CG2 4.34Å; R272-V276 WeakPolarHBondContact O-CG2 3.48Å; R272-V276 PolarHBondContact O-N 3.36Å |
| 273 | K | 91.6 | Very high | 90.2 | Very high | 119 Ų | 119 | 67.8 Ų | 67.8 | 52% | 0.517 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.5 | -42.3 | 179.1 | -77.7 | -179.3 | -177.3 | -176.6 | 0 | 112.3 | S269 N270 I271 H275 V276 R277 | S269-K273 WeakPolarHBondContact O-CG 3.42Å; S269-K273 PolarHBondContact O-N 2.87Å; N270-K273 PolarHBondContact O-N 3.26Å; I271-K273 VanDerWaalsContact C-N 3.35Å; I271-K273 PolarHBondContact O-N 3.37Å; K273-H275 VanDerWaalsContact C-N 3.34Å; K273-V276 PolarHBondContact O-N 3.04Å; K273-R277 PolarHBondContact O-N 3.3Å |
| 274 | V | 91.8 | Very high | 90.4 | Very high | 32 Ų | 32 | 68 Ų | 68 | 19% | 0.194 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.4 | -38.4 | 176.1 | 173 | 0 | 0 | 0 | 0 | 111.2 | N270 I271 R272 R277 | N270-V274 WeakPolarHBondContact O-CG2 3.47Å; N270-V274 PolarHBondContact O-N 3.37Å; I271-V274 PolarHBondContact O-N 3.17Å; R272-V274 VanDerWaalsContact C-N 3.33Å; R272-V274 PolarHBondContact O-N 3.18Å; V274-R277 WeakPolarHBondContact O-CB 3.46Å; V274-R277 PolarHBondContact O-N 2.82Å |
| 275 | H | 91.5 | Very high | 90.6 | Very high | 21 Ų | 21 | 66 Ų | 66 | 10% | 0.097 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 174.6 | 170.7 | 69.3 | 0 | 0 | 0 | 112.6 | C257 C262 F266 I271 R272 K273 R277 T278 H279 | C257-H275 VanDerWaalsContact SG-CD2 3.6Å; C262-H275 PolarHBondContact SG-NE2 3.06Å; F266-H275 HydrophobicContact CE1-CB 4.05Å; F266-H275 HydrophobicContact CE2-CB 3.84Å; F266-H275 AromaticContact CE2-CD2 3.35Å; F266-H275 WeakPolarHBondContact CE2-CD2 3.33Å; F266-H275 AromaticContact CE2-CG 3.66Å; F266-H275 HydrophobicContact CZ-CB 3.44Å; F266-H275 VanDerWaalsContact CZ-CB 3.44Å; F266-H275 AromaticContact CZ-CD2 3.33Å; F266-H275 WeakPolarHBondContact CZ-CD2 3.35Å; F266-H275 AromaticContact CZ-CG 3.2Å; F266-H275 AromaticContact CZ-ND1 3.8Å; F266-H275 AromaticContact CZ-NE2 3.96Å; I271-H275 WeakPolarHBondContact O-CB 3.36Å; I271-H275 PolarHBondContact O-N 2.98Å; R272-H275 WeakPolarHBondContact O-CB 2.98Å; R272-H275 PolarHBondContact O-N 3.14Å; R272-H275 VanDerWaalsContact O-N 3.16Å; K273-H275 VanDerWaalsContact C-N 3.34Å; H275-R277 PolarHBondContact O-N 2.94Å; H275-R277 VanDerWaalsContact O-N 3.09Å; H275-T278 WeakPolarHBondContact O-CB 3.42Å; H275-T278 PolarHBondContact O-N 3.27Å; H275-T278 PolarHBondContact O-OG1 3.3Å; H275-H279 AromaticContact CD2-NE2 3.97Å; H275-H279 AromaticContact CE1-NE2 3.48Å; H275-H279 PolarHBondContact CE1-NE2 2.95Å; H275-H279 AromaticContact NE2-CD2 3.7Å; H275-H279 AromaticContact NE2-NE2 3.06Å; H275-H279 PolarHBondContact NE2-NE2 3.09Å |
| 276 | V | 92 | Very high | 90.7 | Very high | 35 Ų | 35 | 69 Ų | 69 | 21% | 0.212 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -52.6 | -34.9 | 175.9 | 159.4 | 0 | 0 | 0 | 0 | 111.7 | P258 F259 R272 K273 T278 H279 T280 | P258-V276 HydrophobicContact CG-CG2 3.93Å; F259-V276 HydrophobicContact CE2-CB 4.42Å; F259-V276 HydrophobicContact CE2-CG1 3.9Å; F259-V276 HydrophobicContact CE2-CG2 4.45Å; R272-V276 HydrophobicContact CG-CG2 4.34Å; R272-V276 WeakPolarHBondContact O-CG2 3.48Å; R272-V276 PolarHBondContact O-N 3.36Å; K273-V276 PolarHBondContact O-N 3.04Å; V276-T278 PolarHBondContact O-N 3.26Å; V276-H279 WeakPolarHBondContact O-CB 3.21Å; V276-H279 PolarHBondContact O-N 2.99Å; V276-T280 PolarHBondContact O-N 3.14Å |
| 277 | R | 93.1 | Very high | 90.9 | Very high | 57 Ų | 57 | 68.2 Ų | 68.2 | 22% | 0.215 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.8 | -19.3 | 175.3 | -64.1 | 175.6 | -176.8 | 152 | 1.6 | 114.3 | K273 V274 H275 H279 T280 G281 E282 T297 | K273-R277 PolarHBondContact O-N 3.3Å; V274-R277 WeakPolarHBondContact O-CB 3.46Å; V274-R277 PolarHBondContact O-N 2.82Å; H275-R277 PolarHBondContact O-N 2.94Å; H275-R277 VanDerWaalsContact O-N 3.09Å; R277-H279 VanDerWaalsContact C-N 3.31Å; R277-T280 WeakPolarHBondContact CA-OG1 3.25Å; R277-G281 CarbonylContact O-C 3.34Å; R277-G281 WeakPolarHBondContact O-CA 3.34Å; R277-G281 PolarHBondContact O-N 3.42Å; R277-E282 HydrophobicContact CB-CB 4.32Å; R277-E282 HydrophobicContact CG-CB 4.18Å; R277-E282 PolarHBondContact O-N 3.29Å; R277-T297 HydrophobicContact CB-CG2 3.91Å; R277-T297 WeakPolarHBondContact CD-O 3.49Å; R277-T297 PolarHBondContact NH1-O 3.2Å |
| 278 | T | 89.6 | Confident | 91 | Very high | 84 Ų | 84 | 71.1 Ų | 71.1 | 52% | 0.515 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -74.7 | -25.5 | 174.1 | 70.6 | 0 | 0 | 0 | 0 | 112.2 | H275 V276 | H275-T278 WeakPolarHBondContact O-CB 3.42Å; H275-T278 PolarHBondContact O-N 3.27Å; H275-T278 PolarHBondContact O-OG1 3.3Å; V276-T278 PolarHBondContact O-N 3.26Å |
| 279 | H | 89.9 | Confident | 91 | Very high | 76 Ų | 76 | 73.4 Ų | 73.4 | 35% | 0.352 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -82.5 | -43.2 | 174.3 | -65.6 | -67.9 | 0 | 0 | 0 | 111.5 | F259 C262 H275 V276 R277 G281 | F259-H279 HydrophobicContact CD1-CB 3.99Å; F259-H279 HydrophobicContact CD2-CB 3.53Å; F259-H279 AromaticContact CD2-CD2 3.43Å; F259-H279 VanDerWaalsContact CD2-CD2 3.43Å; F259-H279 WeakPolarHBondContact CD2-CD2 3.48Å; F259-H279 AromaticContact CD2-CG 3.56Å; F259-H279 HydrophobicContact CE1-CB 3.88Å; F259-H279 HydrophobicContact CE2-CB 3.38Å; F259-H279 AromaticContact CE2-CG 3.94Å; F259-H279 HydrophobicContact CG-CB 3.83Å; F259-H279 AromaticContact CG-CD2 3.93Å; F259-H279 AromaticContact CG-CG 3.76Å; F259-H279 HydrophobicContact CZ-CB 3.59Å; C262-H279 VanDerWaalsContact SG-CE1 3.58Å; C262-H279 PolarHBondContact SG-NE2 3.38Å; H275-H279 AromaticContact CD2-NE2 3.97Å; H275-H279 AromaticContact CE1-NE2 3.48Å; H275-H279 PolarHBondContact CE1-NE2 2.95Å; H275-H279 AromaticContact NE2-CD2 3.7Å; H275-H279 AromaticContact NE2-NE2 3.06Å; H275-H279 PolarHBondContact NE2-NE2 3.09Å; V276-H279 WeakPolarHBondContact O-CB 3.21Å; V276-H279 PolarHBondContact O-N 2.99Å; R277-H279 VanDerWaalsContact C-N 3.31Å; H279-G281 VanDerWaalsContact C-N 3.28Å; H279-G281 PolarHBondContact O-N 3.24Å |
| 280 | T | 90.1 | Very high | 90.7 | Very high | 66 Ų | 66 | 75.7 Ų | 75.7 | 41% | 0.405 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -76.3 | -17.1 | 179.1 | 62.5 | 0 | 0 | 0 | 0 | 113.4 | F259 V276 R277 E282 | F259-T280 HydrophobicContact CE2-CG2 4.27Å; F259-T280 HydrophobicContact CZ-CG2 3.69Å; V276-T280 PolarHBondContact O-N 3.14Å; R277-T280 WeakPolarHBondContact CA-OG1 3.25Å; T280-E282 PolarHBondContact O-N 3.38Å; T280-E282 WeakPolarHBondContact OG1-CB 3.27Å; T280-E282 WeakPolarHBondContact OG1-CG 3.45Å; T280-E282 PolarHBondContact OG1-N 2.92Å |
| 281 | G | 89.6 | Confident | 90.5 | Very high | 50 Ų | 50 | 80.1 Ų | 80.1 | 52% | 0.515 | 42% | 0.417 | S | S | . | . | trans | 73.9 | 3.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R277 H279 R283 | R277-G281 CarbonylContact O-C 3.34Å; R277-G281 WeakPolarHBondContact O-CA 3.34Å; R277-G281 PolarHBondContact O-N 3.42Å; H279-G281 VanDerWaalsContact C-N 3.28Å; H279-G281 PolarHBondContact O-N 3.24Å; G281-R283 PolarHBondContact O-N 3.4Å | ||
| 282 | E | 91.7 | Very high | 90.7 | Very high | 112 Ų | 112 | 77.9 Ų | 77.9 | 52% | 0.523 | 41% | 0.408 | S | S | . | . | trans | -60.5 | 125.5 | 180 | -76.9 | 180 | -174.1 | 0 | 0 | 111.7 | R277 T280 P284 | R277-E282 HydrophobicContact CB-CB 4.32Å; R277-E282 HydrophobicContact CG-CB 4.18Å; R277-E282 PolarHBondContact O-N 3.29Å; T280-E282 PolarHBondContact O-N 3.38Å; T280-E282 WeakPolarHBondContact OG1-CB 3.27Å; T280-E282 WeakPolarHBondContact OG1-CG 3.45Å; T280-E282 PolarHBondContact OG1-N 2.92Å; E282-P284 WeakPolarHBondContact O-CD 3.47Å | ||
| 283 | R | 91.4 | Very high | 90.3 | Very high | 145 Ų | 145 | 77.6 Ų | 77.6 | 55% | 0.547 | 43% | 0.429 | S | S | . | . | trans | -125.3 | 79.2 | 176.2 | -72.3 | 174.3 | 171.6 | -145.8 | 12.5 | 110.1 | G281 Y285 G295 F296 T297 | G281-R283 PolarHBondContact O-N 3.4Å; R283-Y285 PolarHBondContact O-N 3.1Å; R283-Y285 VanDerWaalsContact O-N 3.1Å; R283-G295 WeakPolarHBondContact CD-O 3.38Å; R283-G295 PolarHBondContact NH1-O 3.1Å; R283-F296 CarbonylContact C-O 3.52Å; R283-F296 WeakPolarHBondContact CA-O 3.37Å; R283-T297 HydrophobicContact CG-CG2 4.4Å | ||
| 284 | P | 91.7 | Very high | 90.2 | Very high | 71 Ų | 71 | 78.7 Ų | 78.7 | 46% | 0.461 | 43% | 0.43 | S | S | . | . | trans | -63.8 | -17.9 | -175.5 | -22.4 | 34 | 0 | 0 | 0 | 114.2 | E282 | E282-P284 WeakPolarHBondContact O-CD 3.47Š| ||
| 285 | Y | 93.3 | Very high | 90.2 | Very high | 83 Ų | 83 | 77.5 Ų | 77.5 | 33% | 0.325 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 100.1 | -175.8 | -51.8 | -77.5 | 0 | 0 | 0 | 109.9 | R283 G295 F296 A299 | R283-Y285 PolarHBondContact O-N 3.1Å; R283-Y285 VanDerWaalsContact O-N 3.1Å; Y285-G295 CarbonylContact O-C 3.37Å; Y285-G295 WeakPolarHBondContact O-CA 3.37Å; Y285-F296 PolarHBondContact N-O 3.42Å; Y285-F296 PolarHBondContact O-N 3.32Å; Y285-A299 HydrophobicContact CD1-CB 4.23Å; Y285-A299 HydrophobicContact CE1-CB 3.75Å; Y285-A299 HydrophobicContact CE2-CB 4.07Å; Y285-A299 VanDerWaalsContact CE2-N 3.33Å |
| 286 | T | 92.8 | Very high | 90.2 | Very high | 90 Ų | 90 | 77.7 Ų | 77.7 | 55% | 0.552 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 134.8 | 179.3 | 49.5 | 0 | 0 | 0 | 0 | 111.2 | P288 Y302 | T286-P288 WeakPolarHBondContact O-CD 3.33Å; T286-Y302 WeakPolarHBondContact O-CE2 3.4Å |
| 287 | C | 93.4 | Very high | 90.1 | Very high | 9 Ų | 9 | 77.4 Ų | 77.4 | 6% | 0.061 | 42% | 0.423 | C | S | . | . | trans | -63.4 | 123.2 | 172.6 | -169.9 | 0 | 0 | 0 | 0 | 110.4 | E289 C292 R294 H309 | C287-E289 VanDerWaalsContact C-N 3.26Å; C287-E289 PolarHBondContact O-N 3.31Å; C287-C292 HydrophobicContact CB-CB 4.28Å; C287-R294 WeakPolarHBondContact CB-O 3.42Å; C287-R294 PolarHBondContact N-O 2.61Å; C287-H309 VanDerWaalsContact SG-CD2 3.53Å; C287-H309 PolarHBondContact SG-NE2 3.48Å | ||
| 288 | P | 88.7 | Confident | 90 | Very high | 96 Ų | 96 | 75.8 Ų | 75.8 | 62% | 0.623 | 42% | 0.42 | S | S | * | . | trans | -77.9 | -12.7 | 179.3 | 32.4 | -35.5 | 0 | 0 | 0 | 112.8 | T286 | T286-P288 WeakPolarHBondContact O-CD 3.33Š| ||
| 289 | E | 88.7 | Confident | 90 | Very high | 81 Ų | 81 | 73.3 Ų | 73.3 | 38% | 0.379 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -62.5 | 130.2 | -176.5 | -70.4 | -62.4 | 144.5 | 0 | 0 | 111.7 | C287 H291 C292 H309 | C287-E289 VanDerWaalsContact C-N 3.26Å; C287-E289 PolarHBondContact O-N 3.31Å; E289-H291 PolarHBondContact O-N 3.04Å; E289-C292 HydrophobicContact CB-CB 4.11Å; E289-C292 PolarHBondContact O-N 3.05Å; E289-C292 VanDerWaalsContact O-N 3.14Å; E289-H309 HydrophobicContact CG-CB 3.88Å |
| 290 | P | 83.6 | Confident | 89.9 | Confident | 95 Ų | 95 | 73.9 Ų | 73.9 | 62% | 0.617 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 139.4 | 177.4 | 26 | -32 | 0 | 0 | 0 | 109.2 | C292 | P290-C292 PolarHBondContact O-N 3.42Š|
| 291 | H | 84.8 | Confident | 89.9 | Confident | 201 Ų | 201 | 74.8 Ų | 74.8 | 93% | 0.931 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | -1.5 | -176.4 | -41 | -69.3 | 0 | 0 | 0 | 116.7 | E289 | E289-H291 PolarHBondContact O-N 3.04Š|
| 292 | C | 91.4 | Very high | 90 | Very high | 37 Ų | 37 | 75.2 Ų | 75.2 | 25% | 0.25 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -53.5 | 173.1 | -171.8 | 0 | 0 | 0 | 0 | 112.8 | C287 E289 P290 R294 H305 H309 | C287-C292 HydrophobicContact CB-CB 4.28Å; E289-C292 HydrophobicContact CB-CB 4.11Å; E289-C292 PolarHBondContact O-N 3.05Å; E289-C292 VanDerWaalsContact O-N 3.14Å; P290-C292 PolarHBondContact O-N 3.42Å; C292-R294 PolarHBondContact O-N 3.02Å; C292-H305 VanDerWaalsContact SG-CE1 3.51Å; C292-H305 PolarHBondContact SG-NE2 3.38Å; C292-H309 PolarHBondContact SG-NE2 2.88Å; C292-H309 VanDerWaalsContact SG-NE2 3.37Å |
| 293 | G | 85.9 | Confident | 89.9 | Confident | 69 Ų | 69 | 76.6 Ų | 76.6 | 71% | 0.711 | 41% | 0.411 | S | S | * | . | trans | 57.4 | 10.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | G295 | G293-G295 PolarHBondContact O-N 3.17Š| ||
| 294 | R | 89.4 | Confident | 89.8 | Confident | 142 Ų | 142 | 71.2 Ų | 71.2 | 54% | 0.536 | 39% | 0.393 | S | S | . | . | trans | -82.7 | 121.1 | -168.9 | -162.4 | 166.9 | 177.7 | 171.8 | 0.6 | 111.1 | C287 C292 F296 | C287-R294 WeakPolarHBondContact CB-O 3.42Å; C287-R294 PolarHBondContact N-O 2.61Å; C292-R294 PolarHBondContact O-N 3.02Å; R294-F296 HydrophobicContact CB-CE2 4.02Å; R294-F296 HydrophobicContact CB-CZ 4.19Å; R294-F296 HydrophobicContact CG-CE1 4.42Å; R294-F296 HydrophobicContact CG-CE2 3.89Å; R294-F296 HydrophobicContact CG-CZ 3.66Å; R294-F296 WeakPolarHBondContact O-CE2 3.36Å | ||
| 295 | G | 91.3 | Very high | 89.8 | Confident | 8 Ų | 8 | 68.5 Ų | 68.5 | 8% | 0.082 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 150.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | R283 Y285 G293 | R283-G295 WeakPolarHBondContact CD-O 3.38Å; R283-G295 PolarHBondContact NH1-O 3.1Å; Y285-G295 CarbonylContact O-C 3.37Å; Y285-G295 WeakPolarHBondContact O-CA 3.37Å; G293-G295 PolarHBondContact O-N 3.17Å |
| 296 | F | 91.1 | Very high | 89.6 | Confident | 25 Ų | 25 | 66.2 Ų | 66.2 | 11% | 0.11 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 147.2 | -178.8 | -60.6 | -92.7 | 0 | 0 | 0 | 111.5 | R283 Y285 R294 N301 Y302 H305 | R283-F296 CarbonylContact C-O 3.52Å; R283-F296 WeakPolarHBondContact CA-O 3.37Å; Y285-F296 PolarHBondContact N-O 3.42Å; Y285-F296 PolarHBondContact O-N 3.32Å; R294-F296 HydrophobicContact CB-CE2 4.02Å; R294-F296 HydrophobicContact CB-CZ 4.19Å; R294-F296 HydrophobicContact CG-CE1 4.42Å; R294-F296 HydrophobicContact CG-CE2 3.89Å; R294-F296 HydrophobicContact CG-CZ 3.66Å; R294-F296 WeakPolarHBondContact O-CE2 3.36Å; F296-N301 HydrophobicContact CD1-CB 3.99Å; F296-Y302 HydrophobicContact CD2-CD2 4.03Å; F296-H305 HydrophobicContact CE1-CB 3.83Å; F296-H305 HydrophobicContact CE2-CB 3.85Å; F296-H305 AromaticContact CE2-CD2 3.3Å; F296-H305 WeakPolarHBondContact CE2-CD2 3.39Å; F296-H305 AromaticContact CE2-CG 3.58Å; F296-H305 AromaticContact CE2-NE2 3.97Å; F296-H305 HydrophobicContact CZ-CB 3.32Å; F296-H305 AromaticContact CZ-CD2 3.37Å; F296-H305 WeakPolarHBondContact CZ-CD2 3.24Å; F296-H305 AromaticContact CZ-CG 3.13Å; F296-H305 AromaticContact CZ-ND1 3.67Å; F296-H305 AromaticContact CZ-NE2 3.96Å |
| 297 | T | 91.2 | Very high | 89.5 | Confident | 28 Ų | 28 | 64.5 Ų | 64.5 | 17% | 0.172 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -83.2 | -15.4 | 176.9 | 57.2 | 0 | 0 | 0 | 0 | 113 | R277 R283 | R277-T297 HydrophobicContact CB-CG2 3.91Å; R277-T297 WeakPolarHBondContact CD-O 3.49Å; R277-T297 PolarHBondContact NH1-O 3.2Å; R283-T297 HydrophobicContact CG-CG2 4.4Å |
| 298 | S | 90.4 | Very high | 89.2 | Confident | 23 Ų | 23 | 69.2 Ų | 69.2 | 16% | 0.161 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -133.5 | 138.3 | -177 | 177.3 | 0 | 0 | 0 | 0 | 111.6 | T300 N301 Y302 | S298-T300 VanDerWaalsContact C-N 3.3Å; S298-T300 PolarHBondContact O-N 3.44Å; S298-T300 PolarHBondContact OG-N 3.06Å; S298-N301 PolarHBondContact O-N 3.26Å; S298-Y302 PolarHBondContact O-N 3.43Å; S298-Y302 VanDerWaalsContact O-N 3.11Å |
| 299 | A | 89.7 | Confident | 89.2 | Confident | 33 Ų | 33 | 68.3 Ų | 68.3 | 27% | 0.273 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62 | -36 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y285 Y302 K303 | Y285-A299 HydrophobicContact CD1-CB 4.23Å; Y285-A299 HydrophobicContact CE1-CB 3.75Å; Y285-A299 HydrophobicContact CE2-CB 4.07Å; Y285-A299 VanDerWaalsContact CE2-N 3.33Å; A299-Y302 WeakPolarHBondContact O-CB 3.34Å; A299-Y302 PolarHBondContact O-N 3.37Å; A299-K303 WeakPolarHBondContact O-CG 3.43Å; A299-K303 PolarHBondContact O-N 3.4Å |
| 300 | T | 87.7 | Confident | 89.1 | Confident | 87 Ų | 87 | 68 Ų | 68 | 53% | 0.534 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 179.7 | -51.2 | 0 | 0 | 0 | 0 | 110.9 | S298 Y302 K303 N304 | S298-T300 VanDerWaalsContact C-N 3.3Å; S298-T300 PolarHBondContact O-N 3.44Å; S298-T300 PolarHBondContact OG-N 3.06Å; T300-Y302 VanDerWaalsContact C-N 3.32Å; T300-Y302 PolarHBondContact O-N 3.34Å; T300-K303 PolarHBondContact O-N 3.27Å; T300-N304 PolarHBondContact O-N 3.48Å |
| 301 | N | 89.3 | Confident | 89.2 | Confident | 86 Ų | 86 | 65.6 Ų | 65.6 | 46% | 0.46 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.1 | -38.4 | 179 | -65.1 | 7 | 0 | 0 | 0 | 110.9 | F296 S298 N304 H305 | F296-N301 HydrophobicContact CD1-CB 3.99Å; S298-N301 PolarHBondContact O-N 3.26Å; N301-N304 PolarHBondContact O-N 3.23Å; N301-H305 VanDerWaalsContact O-CB 3.32Å; N301-H305 WeakPolarHBondContact O-CB 3.4Å; N301-H305 PolarHBondContact O-N 3.48Å |
| 302 | Y | 92.8 | Very high | 89.4 | Confident | 58 Ų | 58 | 61.3 Ų | 61.3 | 23% | 0.227 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.9 | -50.6 | 171.7 | 166.5 | -103.1 | 0 | 0 | 0 | 111.9 | T286 F296 S298 A299 T300 N304 H305 V306 | T286-Y302 WeakPolarHBondContact O-CE2 3.4Å; F296-Y302 HydrophobicContact CD2-CD2 4.03Å; S298-Y302 PolarHBondContact O-N 3.43Å; S298-Y302 VanDerWaalsContact O-N 3.11Å; A299-Y302 WeakPolarHBondContact O-CB 3.34Å; A299-Y302 PolarHBondContact O-N 3.37Å; T300-Y302 VanDerWaalsContact C-N 3.32Å; T300-Y302 PolarHBondContact O-N 3.34Å; Y302-N304 PolarHBondContact O-N 2.83Å; Y302-H305 WeakPolarHBondContact O-CB 3.37Å; Y302-H305 PolarHBondContact O-N 2.82Å; Y302-H305 VanDerWaalsContact O-N 3.11Å; Y302-V306 HydrophobicContact CD2-CG2 4.2Å; Y302-V306 HydrophobicContact CE1-CG2 4.16Å; Y302-V306 HydrophobicContact CE2-CG2 3.72Å; Y302-V306 WeakPolarHBondContact O-CG2 3.42Å; Y302-V306 PolarHBondContact O-N 3.26Å |
| 303 | K | 90 | Very high | 89.3 | Confident | 141 Ų | 141 | 64.4 Ų | 64.4 | 61% | 0.613 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -59.2 | -44.5 | 178.1 | -75.1 | -175.8 | 179.6 | -171 | 0 | 112.3 | A299 T300 H305 V306 R307 | A299-K303 WeakPolarHBondContact O-CG 3.43Å; A299-K303 PolarHBondContact O-N 3.4Å; T300-K303 PolarHBondContact O-N 3.27Å; K303-H305 VanDerWaalsContact C-N 3.29Å; K303-H305 PolarHBondContact O-N 3.1Å; K303-V306 PolarHBondContact O-N 3.24Å; K303-R307 PolarHBondContact O-N 3.25Å |
| 304 | N | 88.8 | Confident | 89.4 | Confident | 32 Ų | 32 | 64.1 Ų | 64.1 | 17% | 0.171 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.5 | -37.1 | 176.5 | -72.5 | 0.4 | 0 | 0 | 0 | 111.9 | T300 N301 Y302 R307 E328 | T300-N304 PolarHBondContact O-N 3.48Å; N301-N304 PolarHBondContact O-N 3.23Å; Y302-N304 PolarHBondContact O-N 2.83Å; N304-R307 WeakPolarHBondContact O-CB 3.48Å; N304-R307 PolarHBondContact O-N 2.75Å; N304-E328 HydrophobicContact CB-CG 4.46Å; N304-E328 PolarHBondContact ND2-OE1 3.23Å |
| 305 | H | 90.8 | Very high | 89.5 | Confident | 14 Ų | 14 | 61 Ų | 61 | 7% | 0.065 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67 | -42.4 | 176.8 | 169.7 | 69.8 | 0 | 0 | 0 | 112.7 | C292 F296 N301 Y302 K303 R307 I308 H309 | C292-H305 VanDerWaalsContact SG-CE1 3.51Å; C292-H305 PolarHBondContact SG-NE2 3.38Å; F296-H305 HydrophobicContact CE1-CB 3.83Å; F296-H305 HydrophobicContact CE2-CB 3.85Å; F296-H305 AromaticContact CE2-CD2 3.3Å; F296-H305 WeakPolarHBondContact CE2-CD2 3.39Å; F296-H305 AromaticContact CE2-CG 3.58Å; F296-H305 AromaticContact CE2-NE2 3.97Å; F296-H305 HydrophobicContact CZ-CB 3.32Å; F296-H305 AromaticContact CZ-CD2 3.37Å; F296-H305 WeakPolarHBondContact CZ-CD2 3.24Å; F296-H305 AromaticContact CZ-CG 3.13Å; F296-H305 AromaticContact CZ-ND1 3.67Å; F296-H305 AromaticContact CZ-NE2 3.96Å; N301-H305 VanDerWaalsContact O-CB 3.32Å; N301-H305 WeakPolarHBondContact O-CB 3.4Å; N301-H305 PolarHBondContact O-N 3.48Å; Y302-H305 WeakPolarHBondContact O-CB 3.37Å; Y302-H305 PolarHBondContact O-N 2.82Å; Y302-H305 VanDerWaalsContact O-N 3.11Å; K303-H305 VanDerWaalsContact C-N 3.29Å; K303-H305 PolarHBondContact O-N 3.1Å; H305-R307 PolarHBondContact O-N 2.82Å; H305-I308 WeakPolarHBondContact O-CB 3.29Å; H305-I308 WeakPolarHBondContact O-CG1 3.42Å; H305-I308 PolarHBondContact O-N 3.17Å; H305-H309 AromaticContact CE1-NE2 3.44Å; H305-H309 PolarHBondContact CE1-NE2 3.32Å; H305-H309 AromaticContact NE2-CD2 3.86Å; H305-H309 AromaticContact NE2-NE2 3.13Å; H305-H309 PolarHBondContact NE2-NE2 3.42Å; H305-H309 VanDerWaalsContact NE2-NE2 3.13Å |
| 306 | V | 90 | Very high | 89.4 | Confident | 35 Ų | 35 | 63.4 Ų | 63.4 | 21% | 0.212 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.4 | -33 | 178.3 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | Y302 K303 I308 H309 T310 | Y302-V306 HydrophobicContact CD2-CG2 4.2Å; Y302-V306 HydrophobicContact CE1-CG2 4.16Å; Y302-V306 HydrophobicContact CE2-CG2 3.72Å; Y302-V306 WeakPolarHBondContact O-CG2 3.42Å; Y302-V306 PolarHBondContact O-N 3.26Å; K303-V306 PolarHBondContact O-N 3.24Å; V306-I308 PolarHBondContact O-N 3.26Å; V306-I308 VanDerWaalsContact O-N 3.13Å; V306-H309 PolarHBondContact O-N 3.23Å; V306-T310 HydrophobicContact CG1-CG2 4.21Å; V306-T310 PolarHBondContact O-N 3.24Å; V306-T310 VanDerWaalsContact O-N 3.13Å |
| 307 | R | 90.1 | Very high | 89.4 | Confident | 55 Ų | 55 | 62.4 Ų | 62.4 | 21% | 0.208 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.6 | -19.9 | 174.9 | -64.6 | 176.5 | -175.3 | -176.3 | -3.6 | 114.5 | K303 N304 H305 H309 T310 G311 E312 Y315 T327 | K303-R307 PolarHBondContact O-N 3.25Å; N304-R307 WeakPolarHBondContact O-CB 3.48Å; N304-R307 PolarHBondContact O-N 2.75Å; H305-R307 PolarHBondContact O-N 2.82Å; R307-H309 VanDerWaalsContact C-N 3.32Å; R307-T310 WeakPolarHBondContact CA-OG1 3.46Å; R307-G311 CarbonylContact O-C 3.5Å; R307-G311 WeakPolarHBondContact O-CA 3.31Å; R307-G311 PolarHBondContact O-N 3.09Å; R307-E312 HydrophobicContact CB-CB 4.46Å; R307-E312 HydrophobicContact CG-CB 4.36Å; R307-E312 PolarHBondContact O-N 3.49Å; R307-Y315 VanDerWaalsContact NH1-CE2 3.35Å; R307-T327 HydrophobicContact CB-CG2 4.5Å; R307-T327 PolarHBondContact NH1-O 2.76Å |
| 308 | I | 87.5 | Confident | 89.3 | Confident | 108 Ų | 108 | 67.1 Ų | 67.1 | 55% | 0.554 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -69 | -37.9 | 174.7 | -58.4 | 174.1 | 0 | 0 | 0 | 109.7 | H305 V306 | H305-I308 WeakPolarHBondContact O-CB 3.29Å; H305-I308 WeakPolarHBondContact O-CG1 3.42Å; H305-I308 PolarHBondContact O-N 3.17Å; V306-I308 PolarHBondContact O-N 3.26Å; V306-I308 VanDerWaalsContact O-N 3.13Å |
| 309 | H | 88.3 | Confident | 89.1 | Confident | 77 Ų | 77 | 67.7 Ų | 67.7 | 36% | 0.356 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -78.9 | -42.5 | -179.7 | -58.4 | -55.9 | 0 | 0 | 0 | 111.9 | C287 E289 C292 H305 V306 R307 G311 | C287-H309 VanDerWaalsContact SG-CD2 3.53Å; C287-H309 PolarHBondContact SG-NE2 3.48Å; E289-H309 HydrophobicContact CG-CB 3.88Å; C292-H309 PolarHBondContact SG-NE2 2.88Å; C292-H309 VanDerWaalsContact SG-NE2 3.37Å; H305-H309 AromaticContact CE1-NE2 3.44Å; H305-H309 PolarHBondContact CE1-NE2 3.32Å; H305-H309 AromaticContact NE2-CD2 3.86Å; H305-H309 AromaticContact NE2-NE2 3.13Å; H305-H309 PolarHBondContact NE2-NE2 3.42Å; H305-H309 VanDerWaalsContact NE2-NE2 3.13Å; V306-H309 PolarHBondContact O-N 3.23Å; R307-H309 VanDerWaalsContact C-N 3.32Å; H309-G311 PolarHBondContact O-N 3.15Å |
| 310 | T | 86.9 | Confident | 88.7 | Confident | 73 Ų | 73 | 72.1 Ų | 72.1 | 45% | 0.448 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -73.2 | -14.7 | 176.8 | 65.1 | 0 | 0 | 0 | 0 | 112.9 | V306 R307 E312 | V306-T310 HydrophobicContact CG1-CG2 4.21Å; V306-T310 PolarHBondContact O-N 3.24Å; V306-T310 VanDerWaalsContact O-N 3.13Å; R307-T310 WeakPolarHBondContact CA-OG1 3.46Å; T310-E312 PolarHBondContact O-N 3.07Å; T310-E312 WeakPolarHBondContact OG1-CB 3.37Å; T310-E312 WeakPolarHBondContact OG1-CG 3.32Å; T310-E312 PolarHBondContact OG1-N 3.29Å |
| 311 | G | 86.4 | Confident | 88.5 | Confident | 46 Ų | 46 | 72.4 Ų | 72.4 | 47% | 0.474 | 41% | 0.41 | S | S | . | . | trans | 69.7 | 5.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R307 H309 K313 | R307-G311 CarbonylContact O-C 3.5Å; R307-G311 WeakPolarHBondContact O-CA 3.31Å; R307-G311 PolarHBondContact O-N 3.09Å; H309-G311 PolarHBondContact O-N 3.15Å; G311-K313 PolarHBondContact O-N 2.71Å | ||
| 312 | E | 88.4 | Confident | 88.5 | Confident | 111 Ų | 111 | 69.6 Ų | 69.6 | 52% | 0.519 | 40% | 0.397 | S | S | . | . | trans | -62.4 | 121.2 | -179.6 | -76 | 179.5 | -175.6 | 0 | 0 | 111.1 | R307 T310 P314 | R307-E312 HydrophobicContact CB-CB 4.46Å; R307-E312 HydrophobicContact CG-CB 4.36Å; R307-E312 PolarHBondContact O-N 3.49Å; T310-E312 PolarHBondContact O-N 3.07Å; T310-E312 WeakPolarHBondContact OG1-CB 3.37Å; T310-E312 WeakPolarHBondContact OG1-CG 3.32Å; T310-E312 PolarHBondContact OG1-N 3.29Å; E312-P314 WeakPolarHBondContact O-CD 3.4Å | ||
| 313 | K | 88.8 | Confident | 88.1 | Confident | 101 Ų | 101 | 69.3 Ų | 69.3 | 44% | 0.439 | 41% | 0.412 | S | S | . | . | trans | -122 | 82.5 | 174.1 | -67 | 173.3 | 179.7 | -176.1 | 0 | 109.1 | G311 Y315 R325 F326 T327 | G311-K313 PolarHBondContact O-N 2.71Å; K313-Y315 PolarHBondContact O-N 3.19Å; K313-R325 HydrophobicContact CB-CB 3.54Å; K313-R325 HydrophobicContact CD-CB 4.01Å; K313-R325 HydrophobicContact CG-CB 4.39Å; K313-R325 PolarHBondContact O-NE 3.19Å; K313-R325 VanDerWaalsContact O-NE 3.15Å; K313-R325 PolarHBondContact O-NH2 3.49Å; K313-R325 VanDerWaalsContact O-NH2 3.13Å; K313-F326 CarbonylContact C-O 3.5Å; K313-F326 VanDerWaalsContact CA-O 3.29Å; K313-F326 WeakPolarHBondContact CA-O 3.42Å; K313-T327 HydrophobicContact CG-CG2 3.87Å | ||
| 314 | P | 88.7 | Confident | 88 | Confident | 64 Ų | 64 | 68.2 Ų | 68.2 | 42% | 0.416 | 41% | 0.407 | S | S | . | . | trans | -68.5 | -25.7 | -174.7 | -20.4 | 34 | 0 | 0 | 0 | 112.8 | E312 | E312-P314 WeakPolarHBondContact O-CD 3.4Š| ||
| 315 | Y | 90.6 | Very high | 88.1 | Confident | 76 Ų | 76 | 73.5 Ų | 73.5 | 30% | 0.298 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 108.6 | -173 | -54.7 | -72.4 | 0 | 0 | 0 | 109.8 | R307 K313 R325 F326 T327 Y329 | R307-Y315 VanDerWaalsContact NH1-CE2 3.35Å; K313-Y315 PolarHBondContact O-N 3.19Å; Y315-R325 CarbonylContact O-C 3.3Å; Y315-R325 WeakPolarHBondContact O-CA 3.43Å; Y315-F326 PolarHBondContact N-O 3.05Å; Y315-F326 PolarHBondContact O-N 3.2Å; Y315-T327 VanDerWaalsContact CE2-O 3.31Å; Y315-T327 WeakPolarHBondContact CE2-O 3.37Å; Y315-Y329 HydrophobicContact CD1-CD2 4.09Å; Y315-Y329 HydrophobicContact CE1-CD2 4.29Å; Y315-Y329 VanDerWaalsContact CE2-N 3.33Å |
| 316 | V | 90 | Very high | 88 | Confident | 58 Ų | 58 | 74.9 Ų | 74.9 | 35% | 0.352 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 137.1 | -179.4 | -172.4 | 0 | 0 | 0 | 0 | 109.5 | T318 R325 | V316-T318 PolarHBondContact O-N 3.02Å; V316-R325 HydrophobicContact CG1-CG 4.32Å; V316-R325 HydrophobicContact CG2-CG 4.05Å |
| 317 | C | 91.5 | Very high | 87.9 | Confident | 5 Ų | 5 | 74.9 Ų | 74.9 | 3% | 0.034 | 43% | 0.431 | C | S | . | . | trans | -69.6 | 118.3 | 170.3 | -170.1 | 0 | 0 | 0 | 0 | 109.6 | V319 C322 K324 L332 H339 | C317-V319 VanDerWaalsContact C-N 3.26Å; C317-V319 PolarHBondContact O-N 3.04Å; C317-C322 HydrophobicContact CB-CB 4.35Å; C317-K324 HydrophobicContact CB-CB 4.49Å; C317-K324 WeakPolarHBondContact CB-O 3.22Å; C317-K324 PolarHBondContact N-O 3.45Å; C317-L332 HydrophobicContact CB-CD1 3.77Å; C317-H339 PolarHBondContact SG-NE2 2.88Å; C317-H339 VanDerWaalsContact SG-NE2 3.38Å | ||
| 318 | T | 88.3 | Confident | 87.8 | Confident | 127 Ų | 127 | 75.4 Ų | 75.4 | 78% | 0.779 | 44% | 0.435 | S | S | * | . | trans | -81 | -4.7 | 180 | 52.9 | 0 | 0 | 0 | 0 | 113.2 | V316 P320 | V316-T318 PolarHBondContact O-N 3.02Å; T318-P320 WeakPolarHBondContact O-CD 3.34Å | ||
| 319 | V | 86 | Confident | 87.8 | Confident | 35 Ų | 35 | 77.1 Ų | 77.1 | 21% | 0.212 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -66 | 123.3 | 177.1 | 178.7 | 0 | 0 | 0 | 0 | 108.9 | C317 G321 C322 H339 | C317-V319 VanDerWaalsContact C-N 3.26Å; C317-V319 PolarHBondContact O-N 3.04Å; V319-G321 PolarHBondContact O-N 3.07Å; V319-C322 HydrophobicContact CB-CB 4.3Å; V319-C322 WeakPolarHBondContact O-CB 3.5Å; V319-C322 PolarHBondContact O-N 3.46Å; V319-C322 VanDerWaalsContact O-N 3.07Å; V319-H339 HydrophobicContact CG1-CB 4.2Å; V319-H339 HydrophobicContact CG2-CB 4.07Å |
| 320 | P | 82.9 | Confident | 87.7 | Confident | 125 Ų | 125 | 75.9 Ų | 75.9 | 81% | 0.812 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 135.5 | 180 | -27.4 | 34.9 | 0 | 0 | 0 | 111.8 | T318 C322 | T318-P320 WeakPolarHBondContact O-CD 3.34Å; P320-C322 VanDerWaalsContact C-N 3.25Å; P320-C322 PolarHBondContact O-N 3.2Å |
| 321 | G | 82.3 | Confident | 87.8 | Confident | 94 Ų | 94 | 74.5 Ų | 74.5 | 97% | 0.969 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | -5.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | V319 | V319-G321 PolarHBondContact O-N 3.07Š|
| 322 | C | 90.1 | Very high | 87.9 | Confident | 26 Ų | 26 | 73.5 Ų | 73.5 | 18% | 0.176 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -55 | 177.8 | -171.9 | 0 | 0 | 0 | 0 | 113.7 | C317 V319 P320 K324 H335 H339 | C317-C322 HydrophobicContact CB-CB 4.35Å; V319-C322 HydrophobicContact CB-CB 4.3Å; V319-C322 WeakPolarHBondContact O-CB 3.5Å; V319-C322 PolarHBondContact O-N 3.46Å; V319-C322 VanDerWaalsContact O-N 3.07Å; P320-C322 VanDerWaalsContact C-N 3.25Å; P320-C322 PolarHBondContact O-N 3.2Å; C322-K324 PolarHBondContact O-N 3.43Å; C322-K324 VanDerWaalsContact SG-CG 3.58Å; C322-H335 PolarHBondContact SG-NE2 2.75Å; C322-H339 PolarHBondContact SG-CE1 3.35Å; C322-H339 PolarHBondContact SG-NE2 2.9Å |
| 323 | G | 84.6 | Confident | 87.8 | Confident | 52 Ų | 52 | 74.5 Ų | 74.5 | 54% | 0.536 | 41% | 0.413 | S | S | . | . | trans | 59.6 | 4.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 324 | K | 87.8 | Confident | 87.6 | Confident | 119 Ų | 119 | 75.2 Ų | 75.2 | 52% | 0.517 | 42% | 0.416 | S | S | . | . | trans | -68.8 | 136.6 | -175.2 | -73.5 | 179.5 | -175.3 | 176.4 | 0 | 111.2 | C317 C322 F326 | C317-K324 HydrophobicContact CB-CB 4.49Å; C317-K324 WeakPolarHBondContact CB-O 3.22Å; C317-K324 PolarHBondContact N-O 3.45Å; C322-K324 PolarHBondContact O-N 3.43Å; C322-K324 VanDerWaalsContact SG-CG 3.58Å; K324-F326 HydrophobicContact CB-CE2 3.82Å; K324-F326 HydrophobicContact CB-CZ 3.93Å | ||
| 325 | R | 90.9 | Very high | 87.6 | Confident | 143 Ų | 143 | 73 Ų | 73 | 54% | 0.54 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 143.7 | -177.8 | -47 | -176.1 | 64.7 | 137.5 | -0.5 | 111.2 | K313 Y315 V316 | K313-R325 HydrophobicContact CB-CB 3.54Å; K313-R325 HydrophobicContact CD-CB 4.01Å; K313-R325 HydrophobicContact CG-CB 4.39Å; K313-R325 PolarHBondContact O-NE 3.19Å; K313-R325 VanDerWaalsContact O-NE 3.15Å; K313-R325 PolarHBondContact O-NH2 3.49Å; K313-R325 VanDerWaalsContact O-NH2 3.13Å; Y315-R325 CarbonylContact O-C 3.3Å; Y315-R325 WeakPolarHBondContact O-CA 3.43Å; V316-R325 HydrophobicContact CG1-CG 4.32Å; V316-R325 HydrophobicContact CG2-CG 4.05Å |
| 326 | F | 88.9 | Confident | 87.2 | Confident | 42 Ų | 42 | 73 Ų | 73 | 18% | 0.184 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 148.6 | -176 | -57.4 | -88.7 | 0 | 0 | 0 | 111.1 | K313 Y315 K324 L332 H335 | K313-F326 CarbonylContact C-O 3.5Å; K313-F326 VanDerWaalsContact CA-O 3.29Å; K313-F326 WeakPolarHBondContact CA-O 3.42Å; Y315-F326 PolarHBondContact N-O 3.05Å; Y315-F326 PolarHBondContact O-N 3.2Å; K324-F326 HydrophobicContact CB-CE2 3.82Å; K324-F326 HydrophobicContact CB-CZ 3.93Å; F326-L332 HydrophobicContact CB-CB 4.27Å; F326-L332 HydrophobicContact CD2-CB 3.76Å; F326-L332 HydrophobicContact CD2-CD1 3.71Å; F326-L332 HydrophobicContact CD2-CG 4.33Å; F326-L332 HydrophobicContact CE2-CB 4.47Å; F326-L332 HydrophobicContact CE2-CD1 3.8Å; F326-L332 HydrophobicContact CG-CB 4.13Å; F326-H335 HydrophobicContact CE1-CB 3.89Å; F326-H335 HydrophobicContact CE2-CB 3.9Å; F326-H335 AromaticContact CE2-CD2 3.4Å; F326-H335 WeakPolarHBondContact CE2-CD2 3.47Å; F326-H335 AromaticContact CE2-CG 3.74Å; F326-H335 HydrophobicContact CZ-CB 3.35Å; F326-H335 AromaticContact CZ-CD2 3.38Å; F326-H335 WeakPolarHBondContact CZ-CD2 3.47Å; F326-H335 AromaticContact CZ-CG 3.24Å |
| 327 | T | 87.9 | Confident | 86.8 | Confident | 36 Ų | 36 | 71.3 Ų | 71.3 | 22% | 0.221 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -77.4 | -25.5 | 175.3 | 51.9 | 0 | 0 | 0 | 0 | 112.1 | R307 K313 Y315 | R307-T327 HydrophobicContact CB-CG2 4.5Å; R307-T327 PolarHBondContact NH1-O 2.76Å; K313-T327 HydrophobicContact CG-CG2 3.87Å; Y315-T327 VanDerWaalsContact CE2-O 3.31Å; Y315-T327 WeakPolarHBondContact CE2-O 3.37Å |
| 328 | E | 87.9 | Confident | 86.3 | Confident | 66 Ų | 66 | 74 Ų | 74 | 31% | 0.308 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -128.4 | 144 | -178.5 | -58.9 | -170 | 161.7 | 0 | 0 | 112.7 | N304 S330 S331 L332 | N304-E328 HydrophobicContact CB-CG 4.46Å; N304-E328 PolarHBondContact ND2-OE1 3.23Å; E328-S330 PolarHBondContact O-N 3.39Å; E328-S330 PolarHBondContact OE2-OG 3.46Å; E328-S331 WeakPolarHBondContact O-CB 3.45Å; E328-S331 PolarHBondContact O-N 3.45Å; E328-L332 PolarHBondContact O-N 2.83Å |
| 329 | Y | 86.1 | Confident | 86 | Confident | 143 Ų | 143 | 70.9 Ų | 70.9 | 56% | 0.561 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.6 | -38.6 | 177.4 | -179.2 | -95.6 | 0 | 0 | 0 | 112.6 | Y315 S331 L332 Y333 | Y315-Y329 HydrophobicContact CD1-CD2 4.09Å; Y315-Y329 HydrophobicContact CE1-CD2 4.29Å; Y315-Y329 VanDerWaalsContact CE2-N 3.33Å; Y329-S331 PolarHBondContact O-N 2.91Å; Y329-L332 WeakPolarHBondContact O-CB 3.37Å; Y329-L332 PolarHBondContact O-N 3.41Å; Y329-L332 VanDerWaalsContact O-N 3.1Å; Y329-Y333 PolarHBondContact O-N 3.09Å |
| 330 | S | 85.8 | Confident | 85.3 | Confident | 52 Ų | 52 | 72.1 Ų | 72.1 | 36% | 0.364 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -56.6 | -36.3 | 176.2 | 58.3 | 0 | 0 | 0 | 0 | 112.1 | E328 K334 | E328-S330 PolarHBondContact O-N 3.39Å; E328-S330 PolarHBondContact OE2-OG 3.46Å; S330-K334 VanDerWaalsContact O-CG 3.28Å; S330-K334 WeakPolarHBondContact O-CG 3.43Å; S330-K334 PolarHBondContact O-N 3.42Å |
| 331 | S | 89 | Confident | 84.6 | Confident | 43 Ų | 43 | 72.5 Ų | 72.5 | 30% | 0.301 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -72.9 | -40.8 | 177.4 | -63.6 | 0 | 0 | 0 | 0 | 111.5 | E328 Y329 H335 | E328-S331 WeakPolarHBondContact O-CB 3.45Å; E328-S331 PolarHBondContact O-N 3.45Å; Y329-S331 PolarHBondContact O-N 2.91Å; S331-H335 WeakPolarHBondContact O-CB 3.37Å; S331-H335 PolarHBondContact O-N 3.24Å |
| 332 | L | 90 | Very high | 83.8 | Confident | 25 Ų | 25 | 70.4 Ų | 70.4 | 13% | 0.131 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 171.4 | 172.7 | 62 | 0 | 0 | 0 | 111.5 | C317 F326 E328 Y329 H335 H336 | C317-L332 HydrophobicContact CB-CD1 3.77Å; F326-L332 HydrophobicContact CB-CB 4.27Å; F326-L332 HydrophobicContact CD2-CB 3.76Å; F326-L332 HydrophobicContact CD2-CD1 3.71Å; F326-L332 HydrophobicContact CD2-CG 4.33Å; F326-L332 HydrophobicContact CE2-CB 4.47Å; F326-L332 HydrophobicContact CE2-CD1 3.8Å; F326-L332 HydrophobicContact CG-CB 4.13Å; E328-L332 PolarHBondContact O-N 2.83Å; Y329-L332 WeakPolarHBondContact O-CB 3.37Å; Y329-L332 PolarHBondContact O-N 3.41Å; Y329-L332 VanDerWaalsContact O-N 3.1Å; L332-H335 CarbonylContact O-C 3.55Å; L332-H335 WeakPolarHBondContact O-CA 3.4Å; L332-H335 WeakPolarHBondContact O-CB 3.41Å; L332-H335 PolarHBondContact O-N 3Å; L332-H335 VanDerWaalsContact O-N 3.14Å; L332-H336 PolarHBondContact O-N 3Å |
| 333 | Y | 86.4 | Confident | 83.1 | Confident | 132 Ų | 132 | 74.2 Ų | 74.2 | 52% | 0.518 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.8 | -49 | 178.8 | -179.6 | -96.2 | 0 | 0 | 0 | 111.7 | Y329 H335 H336 V337 | Y329-Y333 PolarHBondContact O-N 3.09Å; Y333-H335 PolarHBondContact O-N 2.81Å; Y333-H336 WeakPolarHBondContact O-CB 3.48Å; Y333-H336 PolarHBondContact O-N 3.16Å; Y333-V337 PolarHBondContact O-N 2.89Å |
| 334 | K | 84.4 | Confident | 82.7 | Confident | 117 Ų | 117 | 75.6 Ų | 75.6 | 51% | 0.509 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.3 | -35.7 | 174.2 | -71.9 | 171.6 | -173 | 178 | 0 | 112.3 | S330 | S330-K334 VanDerWaalsContact O-CG 3.28Å; S330-K334 WeakPolarHBondContact O-CG 3.43Å; S330-K334 PolarHBondContact O-N 3.42Å |
| 335 | H | 87.3 | Confident | 82.3 | Confident | 18 Ų | 18 | 73.9 Ų | 73.9 | 8% | 0.083 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -70.3 | -37 | 175.5 | 171.9 | 57.8 | 0 | 0 | 0 | 112.4 | C322 F326 S331 L332 Y333 V337 V338 H339 | C322-H335 PolarHBondContact SG-NE2 2.75Å; F326-H335 HydrophobicContact CE1-CB 3.89Å; F326-H335 HydrophobicContact CE2-CB 3.9Å; F326-H335 AromaticContact CE2-CD2 3.4Å; F326-H335 WeakPolarHBondContact CE2-CD2 3.47Å; F326-H335 AromaticContact CE2-CG 3.74Å; F326-H335 HydrophobicContact CZ-CB 3.35Å; F326-H335 AromaticContact CZ-CD2 3.38Å; F326-H335 WeakPolarHBondContact CZ-CD2 3.47Å; F326-H335 AromaticContact CZ-CG 3.24Å; S331-H335 WeakPolarHBondContact O-CB 3.37Å; S331-H335 PolarHBondContact O-N 3.24Å; L332-H335 CarbonylContact O-C 3.55Å; L332-H335 WeakPolarHBondContact O-CA 3.4Å; L332-H335 WeakPolarHBondContact O-CB 3.41Å; L332-H335 PolarHBondContact O-N 3Å; L332-H335 VanDerWaalsContact O-N 3.14Å; Y333-H335 PolarHBondContact O-N 2.81Å; H335-V337 PolarHBondContact O-N 3.24Å; H335-V338 WeakPolarHBondContact O-CB 3.38Å; H335-V338 WeakPolarHBondContact O-CG2 3.31Å; H335-V338 PolarHBondContact O-N 3.11Å; H335-H339 AromaticContact CD2-NE2 3.85Å; H335-H339 AromaticContact CE1-CE1 3.84Å; H335-H339 AromaticContact CE1-NE2 3.3Å; H335-H339 PolarHBondContact CE1-NE2 3.45Å; H335-H339 VanDerWaalsContact CE1-NE2 3.3Å; H335-H339 AromaticContact NE2-CD2 3.77Å; H335-H339 AromaticContact NE2-CE1 3.82Å; H335-H339 AromaticContact NE2-NE2 2.94Å; H335-H339 PolarHBondContact NE2-NE2 3.22Å |
| 336 | H | 83.3 | Confident | 82.1 | Confident | 76 Ų | 76 | 71.1 Ų | 71.1 | 35% | 0.352 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.9 | -36.1 | 178.9 | -168.3 | 72.2 | 0 | 0 | 0 | 112.4 | L332 Y333 V338 H339 T340 | L332-H336 PolarHBondContact O-N 3Å; Y333-H336 WeakPolarHBondContact O-CB 3.48Å; Y333-H336 PolarHBondContact O-N 3.16Å; H336-V338 PolarHBondContact O-N 3.4Å; H336-V338 VanDerWaalsContact O-N 3.09Å; H336-H339 WeakPolarHBondContact O-CB 3.37Å; H336-H339 PolarHBondContact O-N 3.21Å; H336-T340 PolarHBondContact O-N 3.4Å |
| 337 | V | 81.4 | Confident | 82 | Confident | 21 Ų | 21 | 69.2 Ų | 69.2 | 13% | 0.127 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.6 | -20.8 | 173.6 | -176.8 | 0 | 0 | 0 | 0 | 112.8 | Y333 H335 T340 C342 R355 | Y333-V337 PolarHBondContact O-N 2.89Å; H335-V337 PolarHBondContact O-N 3.24Å; V337-T340 PolarHBondContact O-OG1 2.94Å; V337-C342 WeakPolarHBondContact CG1-O 3.47Å; V337-R355 HydrophobicContact CG1-CB 4.11Å; V337-R355 HydrophobicContact CG1-CG 4.48Å |
| 338 | V | 81.8 | Confident | 81.9 | Confident | 62 Ų | 62 | 72.4 Ų | 72.4 | 38% | 0.376 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.2 | -37.4 | 174 | -177.8 | 0 | 0 | 0 | 0 | 111.1 | H335 H336 | H335-V338 WeakPolarHBondContact O-CB 3.38Å; H335-V338 WeakPolarHBondContact O-CG2 3.31Å; H335-V338 PolarHBondContact O-N 3.11Å; H336-V338 PolarHBondContact O-N 3.4Å; H336-V338 VanDerWaalsContact O-N 3.09Å |
| 339 | H | 80.4 | Confident | 81.7 | Confident | 61 Ų | 61 | 73.1 Ų | 73.1 | 28% | 0.282 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -77.9 | -35 | -178.2 | -63.7 | -56.4 | 0 | 0 | 0 | 112.7 | C317 V319 C322 H335 H336 H341 | C317-H339 PolarHBondContact SG-NE2 2.88Å; C317-H339 VanDerWaalsContact SG-NE2 3.38Å; V319-H339 HydrophobicContact CG1-CB 4.2Å; V319-H339 HydrophobicContact CG2-CB 4.07Å; C322-H339 PolarHBondContact SG-CE1 3.35Å; C322-H339 PolarHBondContact SG-NE2 2.9Å; H335-H339 AromaticContact CD2-NE2 3.85Å; H335-H339 AromaticContact CE1-CE1 3.84Å; H335-H339 AromaticContact CE1-NE2 3.3Å; H335-H339 PolarHBondContact CE1-NE2 3.45Å; H335-H339 VanDerWaalsContact CE1-NE2 3.3Å; H335-H339 AromaticContact NE2-CD2 3.77Å; H335-H339 AromaticContact NE2-CE1 3.82Å; H335-H339 AromaticContact NE2-NE2 2.94Å; H335-H339 PolarHBondContact NE2-NE2 3.22Å; H336-H339 WeakPolarHBondContact O-CB 3.37Å; H336-H339 PolarHBondContact O-N 3.21Å; H339-H341 PolarHBondContact O-CD2 3.34Å; H339-H341 PolarHBondContact O-N 3.01Å |
| 340 | T | 72.7 | Confident | 81.8 | Confident | 62 Ų | 62 | 68.7 Ų | 68.7 | 38% | 0.38 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -75.7 | -8.8 | 179.7 | 65 | 0 | 0 | 0 | 0 | 112.4 | H336 V337 C342 | H336-T340 PolarHBondContact O-N 3.4Å; V337-T340 PolarHBondContact O-OG1 2.94Å; T340-C342 VanDerWaalsContact CB-SG 3.59Å; T340-C342 PolarHBondContact O-N 3.42Å; T340-C342 PolarHBondContact O-SG 2.84Å; T340-C342 PolarHBondContact OG1-SG 2.76Å |
| 341 | H | 67 | Low | 81.7 | Confident | 133 Ų | 133 | 68.7 Ų | 68.7 | 62% | 0.616 | 38% | 0.378 | S | S | * | . | trans | 52.5 | 0.1 | -170.1 | -71.3 | -98.8 | 0 | 0 | 0 | 115.5 | H339 K343 R355 | H339-H341 PolarHBondContact O-CD2 3.34Å; H339-H341 PolarHBondContact O-N 3.01Å; H341-K343 PolarHBondContact O-N 3.38Å; H341-R355 PolarHBondContact ND1-NH2 3.12Å; H341-R355 VanDerWaalsContact ND1-NH2 3.11Å | ||
| 342 | C | 65.9 | Low | 81.4 | Confident | 50 Ų | 50 | 72.5 Ų | 72.5 | 34% | 0.338 | 39% | 0.389 | S | S | . | . | trans | -60.4 | 132.3 | 179.7 | -57.7 | 0 | 0 | 0 | 0 | 110.7 | V337 T340 P344 | V337-C342 WeakPolarHBondContact CG1-O 3.47Å; T340-C342 VanDerWaalsContact CB-SG 3.59Å; T340-C342 PolarHBondContact O-N 3.42Å; T340-C342 PolarHBondContact O-SG 2.84Å; T340-C342 PolarHBondContact OG1-SG 2.76Å; C342-P344 VanDerWaalsContact O-CD 3.24Å; C342-P344 WeakPolarHBondContact O-CD 3.43Å | ||
| 343 | K | 76.3 | Confident | 81 | Confident | 106 Ų | 106 | 74 Ų | 74 | 46% | 0.461 | 40% | 0.4 | S | S | . | . | trans | -114.3 | 73.7 | 171.5 | -70.5 | 173.3 | 173.2 | -171.4 | 0 | 108.3 | H341 Y345 T353 Y354 R355 | H341-K343 PolarHBondContact O-N 3.38Å; K343-Y345 PolarHBondContact O-N 2.81Å; K343-Y345 VanDerWaalsContact O-N 3.1Å; K343-T353 WeakPolarHBondContact CB-OG1 3.42Å; K343-T353 WeakPolarHBondContact CD-O 3.36Å; K343-T353 WeakPolarHBondContact CD-OG1 3.48Å; K343-Y354 CarbonylContact C-O 3.6Å; K343-Y354 VanDerWaalsContact C-O 3.22Å; K343-Y354 VanDerWaalsContact CA-O 3.25Å; K343-Y354 WeakPolarHBondContact CA-O 3.4Å; K343-R355 HydrophobicContact CG-CG 3.73Å | ||
| 344 | P | 75.3 | Confident | 80.9 | Confident | 80 Ų | 80 | 69.8 Ų | 69.8 | 52% | 0.519 | 38% | 0.383 | S | S | . | . | trans | -69.8 | -10.9 | -169 | 28.9 | -35.3 | 0 | 0 | 0 | 113.3 | C342 | C342-P344 VanDerWaalsContact O-CD 3.24Å; C342-P344 WeakPolarHBondContact O-CD 3.43Å | ||
| 345 | Y | 80.8 | Confident | 80.6 | Confident | 83 Ų | 83 | 68 Ų | 68 | 33% | 0.325 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 108.9 | -176.6 | -55 | -71.2 | 0 | 0 | 0 | 110.2 | K343 T353 Y354 T357 | K343-Y345 PolarHBondContact O-N 2.81Å; K343-Y345 VanDerWaalsContact O-N 3.1Å; Y345-T353 CarbonylContact O-C 3.5Å; Y345-T353 WeakPolarHBondContact O-CA 3.45Å; Y345-Y354 PolarHBondContact N-O 3.22Å; Y345-Y354 PolarHBondContact O-N 3.05Å; Y345-T357 HydrophobicContact CD1-CG2 3.56Å; Y345-T357 HydrophobicContact CD2-CG2 4.34Å; Y345-T357 HydrophobicContact CE1-CG2 3.24Å; Y345-T357 HydrophobicContact CE2-CG2 4.08Å; Y345-T357 HydrophobicContact CG-CG2 4.1Å |
| 346 | T | 85.4 | Confident | 80.4 | Confident | 86 Ų | 86 | 70.8 Ų | 70.8 | 53% | 0.528 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 140.3 | 179.2 | 59.6 | 0 | 0 | 0 | 0 | 110.6 | S348 K352 T353 | T346-S348 PolarHBondContact O-N 2.95Å; T346-K352 CarbonylContact C-O 3.55Å; T346-T353 HydrophobicContact CG2-CG2 3.42Å; T346-T353 VanDerWaalsContact CG2-CG2 3.42Å |
| 347 | C | 87.6 | Confident | 80.3 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.007 | 39% | 0.394 | C | S | . | . | trans | -78.3 | 115.7 | 169.9 | -174.6 | 0 | 0 | 0 | 0 | 108.4 | T349 C350 G351 K352 Y354 L360 H363 H368 | C347-T349 PolarHBondContact O-N 2.78Å; C347-C350 PolarHBondContact O-N 2.88Å; C347-G351 VanDerWaalsContact O-CA 3.22Å; C347-G351 WeakPolarHBondContact O-CA 3.42Å; C347-G351 PolarHBondContact O-N 2.76Å; C347-K352 WeakPolarHBondContact CB-O 3.32Å; C347-K352 PolarHBondContact N-O 2.88Å; C347-Y354 HydrophobicContact CB-CE2 4.25Å; C347-L360 HydrophobicContact CB-CD1 3.57Å; C347-H363 PolarHBondContact SG-NE2 2.61Å; C347-H368 VanDerWaalsContact SG-CD2 3.56Å | ||
| 348 | S | 84.6 | Confident | 80.4 | Confident | 103 Ų | 103 | 73.2 Ų | 73.2 | 72% | 0.72 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -32.4 | 176.5 | 46.9 | 0 | 0 | 0 | 0 | 112.5 | T346 | T346-S348 PolarHBondContact O-N 2.95Š|
| 349 | T | 84.9 | Confident | 80.6 | Confident | 82 Ų | 82 | 72.3 Ų | 72.3 | 50% | 0.503 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -31.7 | -176.3 | -39.1 | 0 | 0 | 0 | 0 | 114.1 | C347 H368 | C347-T349 PolarHBondContact O-N 2.78Å; T349-H368 HydrophobicContact CG2-CB 4.49Å |
| 350 | C | 87.5 | Confident | 81 | Confident | 49 Ų | 49 | 70.4 Ų | 70.4 | 33% | 0.331 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.5 | 7.4 | -175.9 | 72.5 | 0 | 0 | 0 | 0 | 115.5 | C347 K352 H363 H368 | C347-C350 PolarHBondContact O-N 2.88Å; C350-K352 PolarHBondContact O-N 3.4Å; C350-K352 VanDerWaalsContact SG-CG 3.59Å; C350-H363 PolarHBondContact SG-NE2 3.38Å; C350-H368 PolarHBondContact SG-NE2 3.4Å |
| 351 | G | 83.1 | Confident | 81.6 | Confident | 52 Ų | 52 | 69.5 Ų | 69.5 | 54% | 0.536 | 40% | 0.395 | S | S | . | . | trans | 68.2 | -2.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | C347 T353 | C347-G351 VanDerWaalsContact O-CA 3.22Å; C347-G351 WeakPolarHBondContact O-CA 3.42Å; C347-G351 PolarHBondContact O-N 2.76Å; G351-T353 PolarHBondContact O-N 2.94Å | ||
| 352 | K | 83.3 | Confident | 82.5 | Confident | 123 Ų | 123 | 68.6 Ų | 68.6 | 54% | 0.535 | 39% | 0.392 | S | S | . | . | trans | -66.6 | 133.7 | -178.4 | -71.6 | 178.7 | -175.3 | 172 | 0 | 110.9 | T346 C347 C350 Y354 | T346-K352 CarbonylContact C-O 3.55Å; C347-K352 WeakPolarHBondContact CB-O 3.32Å; C347-K352 PolarHBondContact N-O 2.88Å; C350-K352 PolarHBondContact O-N 3.4Å; C350-K352 VanDerWaalsContact SG-CG 3.59Å; K352-Y354 HydrophobicContact CB-CE2 3.68Å; K352-Y354 WeakPolarHBondContact CB-OH 3.29Å; K352-Y354 WeakPolarHBondContact O-CD2 3.41Å; K352-Y354 WeakPolarHBondContact O-CE2 3.27Å | ||
| 353 | T | 82.6 | Confident | 83.5 | Confident | 58 Ų | 58 | 67 Ų | 67 | 36% | 0.356 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 142.8 | -176.8 | 67.1 | 0 | 0 | 0 | 0 | 111.6 | K343 Y345 T346 G351 | K343-T353 WeakPolarHBondContact CB-OG1 3.42Å; K343-T353 WeakPolarHBondContact CD-O 3.36Å; K343-T353 WeakPolarHBondContact CD-OG1 3.48Å; Y345-T353 CarbonylContact O-C 3.5Å; Y345-T353 WeakPolarHBondContact O-CA 3.45Å; T346-T353 HydrophobicContact CG2-CG2 3.42Å; T346-T353 VanDerWaalsContact CG2-CG2 3.42Å; G351-T353 PolarHBondContact O-N 2.94Å |
| 354 | Y | 82.6 | Confident | 83.9 | Confident | 43 Ų | 43 | 63.7 Ų | 63.7 | 17% | 0.169 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 149.2 | -173.1 | -63.6 | -87.3 | 0 | 0 | 0 | 110.8 | K343 Y345 C347 K352 L360 H363 | K343-Y354 CarbonylContact C-O 3.6Å; K343-Y354 VanDerWaalsContact C-O 3.22Å; K343-Y354 VanDerWaalsContact CA-O 3.25Å; K343-Y354 WeakPolarHBondContact CA-O 3.4Å; Y345-Y354 PolarHBondContact N-O 3.22Å; Y345-Y354 PolarHBondContact O-N 3.05Å; C347-Y354 HydrophobicContact CB-CE2 4.25Å; K352-Y354 HydrophobicContact CB-CE2 3.68Å; K352-Y354 WeakPolarHBondContact CB-OH 3.29Å; K352-Y354 WeakPolarHBondContact O-CD2 3.41Å; K352-Y354 WeakPolarHBondContact O-CE2 3.27Å; Y354-L360 HydrophobicContact CD2-CB 3.95Å; Y354-L360 HydrophobicContact CD2-CD1 3.65Å; Y354-L360 HydrophobicContact CD2-CG 4.38Å; Y354-L360 HydrophobicContact CE2-CD1 3.9Å; Y354-L360 HydrophobicContact CG-CB 4.08Å; Y354-H363 HydrophobicContact CE1-CB 3.85Å; Y354-H363 HydrophobicContact CE2-CB 4.13Å; Y354-H363 AromaticContact CE2-CD2 3.42Å; Y354-H363 VanDerWaalsContact CE2-CD2 3.42Å; Y354-H363 WeakPolarHBondContact CE2-CD2 3.37Å; Y354-H363 AromaticContact CE2-CG 3.82Å; Y354-H363 AromaticContact CZ-CD2 3.45Å; Y354-H363 VanDerWaalsContact CZ-CD2 3.45Å; Y354-H363 AromaticContact CZ-CG 3.35Å; Y354-H363 AromaticContact CZ-ND1 3.96Å; Y354-H363 PolarHBondContact OH-CD2 2.83Å; Y354-H363 PolarHBondContact OH-CE1 3.28Å; Y354-H363 VanDerWaalsContact OH-CE1 3.31Å; Y354-H363 PolarHBondContact OH-ND1 2.77Å; Y354-H363 PolarHBondContact OH-NE2 3.32Å |
| 355 | R | 79.6 | Confident | 84.3 | Confident | 80 Ų | 80 | 67.6 Ų | 67.6 | 30% | 0.302 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -80.4 | -20.3 | 178.2 | -64.7 | -173.7 | 173.4 | 175.9 | -7.8 | 113.1 | V337 H341 K343 | V337-R355 HydrophobicContact CG1-CB 4.11Å; V337-R355 HydrophobicContact CG1-CG 4.48Å; H341-R355 PolarHBondContact ND1-NH2 3.12Å; H341-R355 VanDerWaalsContact ND1-NH2 3.11Å; K343-R355 HydrophobicContact CG-CG 3.73Å |
| 356 | Q | 81.5 | Confident | 84.7 | Confident | 75 Ų | 75 | 68.2 Ų | 68.2 | 35% | 0.35 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -137.4 | 144.3 | -176.2 | -60.6 | -178.3 | -3.7 | 0 | 0 | 111.1 | S358 T359 L360 | Q356-S358 VanDerWaalsContact C-N 3.28Å; Q356-S358 PolarHBondContact O-N 2.92Å; Q356-S358 PolarHBondContact OE1-OG 3.21Å; Q356-T359 HydrophobicContact CB-CG2 4.34Å; Q356-T359 PolarHBondContact N-OG1 3.23Å; Q356-T359 PolarHBondContact O-N 3.27Å; Q356-T359 PolarHBondContact O-OG1 3.35Å; Q356-L360 PolarHBondContact O-N 3.31Å; Q356-L360 VanDerWaalsContact O-N 3.1Å |
| 357 | T | 82.9 | Confident | 84.5 | Confident | 82 Ų | 82 | 66.8 Ų | 66.8 | 50% | 0.503 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58 | -39.6 | 173.6 | 51 | 0 | 0 | 0 | 0 | 112.3 | Y345 T359 L360 A361 | Y345-T357 HydrophobicContact CD1-CG2 3.56Å; Y345-T357 HydrophobicContact CD2-CG2 4.34Å; Y345-T357 HydrophobicContact CE1-CG2 3.24Å; Y345-T357 HydrophobicContact CE2-CG2 4.08Å; Y345-T357 HydrophobicContact CG-CG2 4.1Å; T357-T359 VanDerWaalsContact C-N 3.33Å; T357-T359 PolarHBondContact O-N 2.95Å; T357-L360 PolarHBondContact O-N 3.33Å; T357-A361 WeakPolarHBondContact O-CB 3.35Å; T357-A361 PolarHBondContact O-N 3.3Å |
| 358 | S | 83.7 | Confident | 84.3 | Confident | 66 Ų | 66 | 69.7 Ų | 69.7 | 46% | 0.462 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.6 | -40.7 | 177.1 | 52.5 | 0 | 0 | 0 | 0 | 112.6 | Q356 A361 M362 | Q356-S358 VanDerWaalsContact C-N 3.28Å; Q356-S358 PolarHBondContact O-N 2.92Å; Q356-S358 PolarHBondContact OE1-OG 3.21Å; S358-A361 PolarHBondContact O-N 2.98Å; S358-M362 WeakPolarHBondContact O-CB 3.43Å; S358-M362 PolarHBondContact O-N 2.89Å |
| 359 | T | 85.8 | Confident | 83.5 | Confident | 43 Ų | 43 | 67.5 Ų | 67.5 | 26% | 0.264 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -70.9 | -36 | 177.5 | 52.4 | 0 | 0 | 0 | 0 | 112.1 | Q356 T357 H363 | Q356-T359 HydrophobicContact CB-CG2 4.34Å; Q356-T359 PolarHBondContact N-OG1 3.23Å; Q356-T359 PolarHBondContact O-N 3.27Å; Q356-T359 PolarHBondContact O-OG1 3.35Å; T357-T359 VanDerWaalsContact C-N 3.33Å; T357-T359 PolarHBondContact O-N 2.95Å; T359-H363 WeakPolarHBondContact O-CB 3.43Å; T359-H363 PolarHBondContact O-N 2.77Å |
| 360 | L | 88.1 | Confident | 82.1 | Confident | 22 Ų | 22 | 67.1 Ų | 67.1 | 12% | 0.115 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.4 | -47.4 | 171.2 | 171.9 | 61 | 0 | 0 | 0 | 111 | C347 Y354 Q356 T357 M362 H363 K364 | C347-L360 HydrophobicContact CB-CD1 3.57Å; Y354-L360 HydrophobicContact CD2-CB 3.95Å; Y354-L360 HydrophobicContact CD2-CD1 3.65Å; Y354-L360 HydrophobicContact CD2-CG 4.38Å; Y354-L360 HydrophobicContact CE2-CD1 3.9Å; Y354-L360 HydrophobicContact CG-CB 4.08Å; Q356-L360 PolarHBondContact O-N 3.31Å; Q356-L360 VanDerWaalsContact O-N 3.1Å; T357-L360 PolarHBondContact O-N 3.33Å; L360-M362 VanDerWaalsContact C-N 3.33Å; L360-M362 PolarHBondContact O-N 2.74Å; L360-H363 CarbonylContact O-C 3.54Å; L360-H363 WeakPolarHBondContact O-CA 3.37Å; L360-H363 WeakPolarHBondContact O-CB 3.27Å; L360-H363 PolarHBondContact O-N 3.48Å; L360-H363 VanDerWaalsContact O-N 3.1Å; L360-K364 HydrophobicContact CD1-CG 4.16Å; L360-K364 WeakPolarHBondContact O-CG 3.42Å; L360-K364 PolarHBondContact O-N 3.35Å |
| 361 | A | 85.3 | Confident | 80.6 | Confident | 43 Ų | 43 | 72.8 Ų | 72.8 | 36% | 0.355 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64 | -36.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T357 S358 R365 | T357-A361 WeakPolarHBondContact O-CB 3.35Å; T357-A361 PolarHBondContact O-N 3.3Å; S358-A361 PolarHBondContact O-N 2.98Å; A361-R365 WeakPolarHBondContact O-CB 3.43Å; A361-R365 WeakPolarHBondContact O-CG 3.49Å; A361-R365 PolarHBondContact O-N 3.42Å; A361-R365 VanDerWaalsContact O-N 3.08Å; A361-R365 PolarHBondContact O-NE 3.48Å |
| 362 | M | 86.4 | Confident | 79.2 | Confident | 114 Ų | 114 | 74.5 Ų | 74.5 | 56% | 0.562 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64.8 | -42.7 | 171.7 | -177.1 | 176.1 | 62.2 | 0 | 0 | 111.2 | S358 L360 R365 S366 | S358-M362 WeakPolarHBondContact O-CB 3.43Å; S358-M362 PolarHBondContact O-N 2.89Å; L360-M362 VanDerWaalsContact C-N 3.33Å; L360-M362 PolarHBondContact O-N 2.74Å; M362-R365 PolarHBondContact O-N 3.26Å; M362-S366 WeakPolarHBondContact O-CB 3.47Å; M362-S366 PolarHBondContact O-N 3.38Å; M362-S366 PolarHBondContact O-OG 3.29Å |
| 363 | H | 86.4 | Confident | 77.5 | Confident | 17 Ų | 17 | 73.1 Ų | 73.1 | 8% | 0.079 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.7 | -44 | 175.6 | 163.8 | 65.7 | 0 | 0 | 0 | 112.6 | C347 C350 Y354 T359 L360 R365 S366 A367 H368 | C347-H363 PolarHBondContact SG-NE2 2.61Å; C350-H363 PolarHBondContact SG-NE2 3.38Å; Y354-H363 HydrophobicContact CE1-CB 3.85Å; Y354-H363 HydrophobicContact CE2-CB 4.13Å; Y354-H363 AromaticContact CE2-CD2 3.42Å; Y354-H363 VanDerWaalsContact CE2-CD2 3.42Å; Y354-H363 WeakPolarHBondContact CE2-CD2 3.37Å; Y354-H363 AromaticContact CE2-CG 3.82Å; Y354-H363 AromaticContact CZ-CD2 3.45Å; Y354-H363 VanDerWaalsContact CZ-CD2 3.45Å; Y354-H363 AromaticContact CZ-CG 3.35Å; Y354-H363 AromaticContact CZ-ND1 3.96Å; Y354-H363 PolarHBondContact OH-CD2 2.83Å; Y354-H363 PolarHBondContact OH-CE1 3.28Å; Y354-H363 VanDerWaalsContact OH-CE1 3.31Å; Y354-H363 PolarHBondContact OH-ND1 2.77Å; Y354-H363 PolarHBondContact OH-NE2 3.32Å; T359-H363 WeakPolarHBondContact O-CB 3.43Å; T359-H363 PolarHBondContact O-N 2.77Å; L360-H363 CarbonylContact O-C 3.54Å; L360-H363 WeakPolarHBondContact O-CA 3.37Å; L360-H363 WeakPolarHBondContact O-CB 3.27Å; L360-H363 PolarHBondContact O-N 3.48Å; L360-H363 VanDerWaalsContact O-N 3.1Å; H363-R365 VanDerWaalsContact C-N 3.34Å; H363-R365 PolarHBondContact O-N 2.95Å; H363-S366 PolarHBondContact O-N 3.11Å; H363-S366 PolarHBondContact O-OG 2.96Å; H363-A367 VanDerWaalsContact CE1-CB 3.41Å; H363-A367 WeakPolarHBondContact CE1-CB 3.38Å; H363-A367 WeakPolarHBondContact ND1-CB 3.2Å; H363-A367 VanDerWaalsContact O-CB 3.24Å; H363-A367 WeakPolarHBondContact O-CB 3.23Å; H363-A367 PolarHBondContact O-N 3.48Å; H363-H368 AromaticContact CE1-NE2 3.54Å; H363-H368 AromaticContact NE2-CD2 3.64Å; H363-H368 AromaticContact NE2-NE2 3.2Å; H363-H368 PolarHBondContact NE2-NE2 2.9Å |
| 364 | K | 84.6 | Confident | 75.9 | Confident | 36 Ų | 36 | 74.5 Ų | 74.5 | 16% | 0.157 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -57.9 | -47 | 175.2 | -74.4 | -170.5 | 168.3 | -156.2 | 0 | 111.2 | L360 S366 H368 G369 | L360-K364 HydrophobicContact CD1-CG 4.16Å; L360-K364 WeakPolarHBondContact O-CG 3.42Å; L360-K364 PolarHBondContact O-N 3.35Å; K364-S366 PolarHBondContact O-N 3.35Å; K364-H368 CarbonylContact O-C 3.56Å; K364-H368 WeakPolarHBondContact O-CA 3.36Å; K364-H368 WeakPolarHBondContact O-CB 3.3Å; K364-H368 PolarHBondContact O-N 3.17Å; K364-G369 PolarHBondContact O-N 2.93Å |
| 365 | R | 84.4 | Confident | 74.7 | Confident | 162 Ų | 162 | 78.8 Ų | 78.8 | 61% | 0.611 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -63.5 | -39.5 | 176.8 | -75.9 | -175.2 | -68.2 | 165.5 | -2.7 | 113.7 | A361 M362 H363 | A361-R365 WeakPolarHBondContact O-CB 3.43Å; A361-R365 WeakPolarHBondContact O-CG 3.49Å; A361-R365 PolarHBondContact O-N 3.42Å; A361-R365 VanDerWaalsContact O-N 3.08Å; A361-R365 PolarHBondContact O-NE 3.48Å; M362-R365 PolarHBondContact O-N 3.26Å; H363-R365 VanDerWaalsContact C-N 3.34Å; H363-R365 PolarHBondContact O-N 2.95Å |
| 366 | S | 87.8 | Confident | 73.2 | Confident | 95 Ų | 95 | 82.2 Ų | 82.2 | 66% | 0.664 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -89.9 | -32.8 | -174 | 66.3 | 0 | 0 | 0 | 0 | 114.7 | M362 H363 K364 | M362-S366 WeakPolarHBondContact O-CB 3.47Å; M362-S366 PolarHBondContact O-N 3.38Å; M362-S366 PolarHBondContact O-OG 3.29Å; H363-S366 PolarHBondContact O-N 3.11Å; H363-S366 PolarHBondContact O-OG 2.96Å; K364-S366 PolarHBondContact O-N 3.35Å |
| 367 | A | 82.1 | Confident | 72 | Confident | 56 Ų | 56 | 79.3 Ų | 79.3 | 46% | 0.463 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -104.1 | -23.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | H363 | H363-A367 VanDerWaalsContact CE1-CB 3.41Å; H363-A367 WeakPolarHBondContact CE1-CB 3.38Å; H363-A367 WeakPolarHBondContact ND1-CB 3.2Å; H363-A367 VanDerWaalsContact O-CB 3.24Å; H363-A367 WeakPolarHBondContact O-CB 3.23Å; H363-A367 PolarHBondContact O-N 3.48Å |
| 368 | H | 82.9 | Confident | 70.9 | Confident | 63 Ų | 63 | 82.7 Ų | 82.7 | 29% | 0.292 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -115.9 | -1 | 179.7 | -58.5 | -54.9 | 0 | 0 | 0 | 112.8 | C347 T349 C350 H363 K364 E370 | C347-H368 VanDerWaalsContact SG-CD2 3.56Å; T349-H368 HydrophobicContact CG2-CB 4.49Å; C350-H368 PolarHBondContact SG-NE2 3.4Å; H363-H368 AromaticContact CE1-NE2 3.54Å; H363-H368 AromaticContact NE2-CD2 3.64Å; H363-H368 AromaticContact NE2-NE2 3.2Å; H363-H368 PolarHBondContact NE2-NE2 2.9Å; K364-H368 CarbonylContact O-C 3.56Å; K364-H368 WeakPolarHBondContact O-CA 3.36Å; K364-H368 WeakPolarHBondContact O-CB 3.3Å; K364-H368 PolarHBondContact O-N 3.17Å; H368-E370 PolarHBondContact O-N 3.44Å |
| 369 | G | 67.5 | Low | 69.7 | Low | 56 Ų | 56 | 85.7 Ų | 85.7 | 58% | 0.577 | 47% | 0.469 | S | S | * | . | trans | 61.2 | 14.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | K364 L371 | K364-G369 PolarHBondContact O-N 2.93Å; G369-L371 PolarHBondContact O-N 3.11Å | ||
| 370 | E | 55.2 | Low | 68.4 | Low | 74 Ų | 74 | 86 Ų | 86 | 35% | 0.346 | 48% | 0.476 | S | S | . | . | trans | -74.1 | 96 | -175.6 | -145.9 | 176.4 | -154.7 | 0 | 0 | 108.4 | H368 E372 | H368-E370 PolarHBondContact O-N 3.44Å; E370-E372 VanDerWaalsContact C-N 3.26Å; E370-E372 HydrophobicContact CG-CG 3.78Å; E370-E372 PolarHBondContact O-N 3.49Å; E370-E372 VanDerWaalsContact O-N 3.1Å | ||
| 371 | L | 57.6 | Low | 67.2 | Low | 169 Ų | 169 | 88.6 Ų | 88.6 | 89% | 0.885 | 49% | 0.489 | S | S | * | . | trans | -75.2 | 82.2 | 166.5 | -74.7 | 172.6 | 0 | 0 | 0 | 108 | G369 | G369-L371 PolarHBondContact O-N 3.11Š| ||
| 372 | E | 53.3 | Low | 66.3 | Low | 87 Ų | 87 | 91.4 Ų | 91.4 | 41% | 0.407 | 49% | 0.491 | S | S | . | . | trans | -97.8 | 103.7 | 168.6 | -70.9 | -116.1 | 139 | 0 | 0 | 109.1 | E370 S377 L381 | E370-E372 VanDerWaalsContact C-N 3.26Å; E370-E372 HydrophobicContact CG-CG 3.78Å; E370-E372 PolarHBondContact O-N 3.49Å; E370-E372 VanDerWaalsContact O-N 3.1Å; E372-S377 WeakPolarHBondContact OE1-CB 3.5Å; E372-S377 WeakPolarHBondContact OE2-CB 3.34Å; E372-S377 PolarHBondContact OE2-OG 2.92Å; E372-L381 WeakPolarHBondContact OE2-CD1 3.43Å | ||
| 373 | A | 47.5 | Very low | 65.6 | Low | 95 Ų | 95 | 91.5 Ų | 91.5 | 79% | 0.785 | 49% | 0.49 | S | S | * | . | trans | -157.3 | 74.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 374 | T | 49.8 | Very low | 64.8 | Low | 87 Ų | 87 | 95.7 Ų | 95.7 | 53% | 0.534 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -121 | 149.4 | 138 | 58.7 | 0 | 0 | 0 | 0 | 107.3 | E376 S377 | T374-E376 PolarHBondContact O-N 3.05Å; T374-S377 PolarHBondContact O-N 3.21Å; T374-S377 PolarHBondContact O-OG 3.45Å |
| 375 | E | 56.4 | Low | 64.3 | Low | 132 Ų | 132 | 100.5 Ų | 100.5 | 62% | 0.617 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58.3 | -15.5 | -178.9 | -63.9 | -177 | 154.4 | 0 | 0 | 112.3 | ||
| 376 | E | 48.6 | Very low | 63.9 | Low | 152 Ų | 152 | 97.1 Ų | 97.1 | 71% | 0.71 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -73 | -29.3 | 175.1 | -64.5 | 175.6 | 167.5 | 0 | 0 | 113.1 | T374 Q379 A380 | T374-E376 PolarHBondContact O-N 3.05Å; E376-Q379 PolarHBondContact O-N 3.22Å; E376-A380 WeakPolarHBondContact O-CB 3.39Å; E376-A380 PolarHBondContact O-N 3.24Å |
| 377 | S | 55.9 | Low | 63.1 | Low | 15 Ų | 15 | 98.5 Ų | 98.5 | 11% | 0.105 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -81.7 | -32.8 | -176.4 | 86.9 | 0 | 0 | 0 | 0 | 112.9 | E372 T374 Q379 A380 L381 | E372-S377 WeakPolarHBondContact OE1-CB 3.5Å; E372-S377 WeakPolarHBondContact OE2-CB 3.34Å; E372-S377 PolarHBondContact OE2-OG 2.92Å; T374-S377 PolarHBondContact O-N 3.21Å; T374-S377 PolarHBondContact O-OG 3.45Å; S377-Q379 VanDerWaalsContact C-N 3.28Å; S377-Q379 PolarHBondContact O-N 3.17Å; S377-A380 PolarHBondContact O-N 3.15Å; S377-L381 WeakPolarHBondContact O-CB 3.33Å; S377-L381 PolarHBondContact O-N 3.32Å |
| 378 | E | 60.5 | Low | 62.6 | Low | 153 Ų | 153 | 101 Ų | 101 | 72% | 0.715 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66 | -32.9 | 168.7 | -69.8 | -171.3 | 161.5 | 0 | 0 | 111.7 | Y382 | E378-Y382 WeakPolarHBondContact O-CB 3.46Å; E378-Y382 PolarHBondContact O-N 3.4Å |
| 379 | Q | 57.1 | Low | 61.8 | Low | 128 Ų | 128 | 100.5 Ų | 100.5 | 60% | 0.598 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -76.3 | -38.7 | 177.2 | -161.4 | 160.5 | -12.6 | 0 | 0 | 111.6 | E376 S377 Y382 E383 | E376-Q379 PolarHBondContact O-N 3.22Å; S377-Q379 VanDerWaalsContact C-N 3.28Å; S377-Q379 PolarHBondContact O-N 3.17Å; Q379-Y382 PolarHBondContact O-N 3.12Å; Q379-E383 PolarHBondContact O-N 3.41Å |
| 380 | A | 59 | Low | 61.6 | Low | 50 Ų | 50 | 100.4 Ų | 100.4 | 41% | 0.413 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.6 | -37.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E376 S377 Y382 E383 Q384 | E376-A380 WeakPolarHBondContact O-CB 3.39Å; E376-A380 PolarHBondContact O-N 3.24Å; S377-A380 PolarHBondContact O-N 3.15Å; A380-Y382 VanDerWaalsContact C-N 3.29Å; A380-Y382 PolarHBondContact O-N 3.26Å; A380-E383 PolarHBondContact O-N 3.11Å; A380-Q384 VanDerWaalsContact O-CB 3.26Å; A380-Q384 WeakPolarHBondContact O-CB 3.15Å; A380-Q384 PolarHBondContact O-N 3.22Å |
| 381 | L | 62.6 | Low | 61.4 | Low | 76 Ų | 76 | 100.3 Ų | 100.3 | 40% | 0.398 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.6 | -34.5 | 172.5 | -92.3 | 156.1 | 0 | 0 | 0 | 112.2 | E372 S377 Q385 | E372-L381 WeakPolarHBondContact OE2-CD1 3.43Å; S377-L381 WeakPolarHBondContact O-CB 3.33Å; S377-L381 PolarHBondContact O-N 3.32Å; L381-Q385 VanDerWaalsContact O-CB 3.26Å; L381-Q385 WeakPolarHBondContact O-CB 3.44Å; L381-Q385 PolarHBondContact O-N 3.13Å |
| 382 | Y | 66.5 | Low | 61.4 | Low | 103 Ų | 103 | 95.5 Ų | 95.5 | 40% | 0.404 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.8 | -41.6 | 175.9 | -170.7 | -107.9 | 0 | 0 | 0 | 111.7 | E378 Q379 A380 Q385 Q386 | E378-Y382 WeakPolarHBondContact O-CB 3.46Å; E378-Y382 PolarHBondContact O-N 3.4Å; Q379-Y382 PolarHBondContact O-N 3.12Å; A380-Y382 VanDerWaalsContact C-N 3.29Å; A380-Y382 PolarHBondContact O-N 3.26Å; Y382-Q385 PolarHBondContact O-N 2.76Å; Y382-Q386 WeakPolarHBondContact O-CG 3.39Å; Y382-Q386 PolarHBondContact O-N 3.37Å; Y382-Q386 PolarHBondContact OH-NE2 3.34Å |
| 383 | E | 72.7 | Confident | 61.6 | Low | 115 Ų | 115 | 95.4 Ų | 95.4 | 54% | 0.537 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.8 | -41.2 | 172.5 | -85.3 | 179.4 | 160.9 | 0 | 0 | 112.5 | Q379 A380 Q385 Q386 L387 | Q379-E383 PolarHBondContact O-N 3.41Å; A380-E383 PolarHBondContact O-N 3.11Å; E383-Q385 VanDerWaalsContact C-N 3.32Å; E383-Q385 PolarHBondContact O-N 3.21Å; E383-Q386 PolarHBondContact O-N 3.1Å; E383-Q386 VanDerWaalsContact O-N 3.16Å; E383-L387 WeakPolarHBondContact O-CG 3.43Å; E383-L387 PolarHBondContact O-N 3.48Å |
| 384 | Q | 69.1 | Low | 61.7 | Low | 106 Ų | 106 | 99.3 Ų | 99.3 | 50% | 0.495 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 176 | -172.7 | 176.2 | -3.5 | 0 | 0 | 111.3 | A380 Q386 L387 E388 | A380-Q384 VanDerWaalsContact O-CB 3.26Å; A380-Q384 WeakPolarHBondContact O-CB 3.15Å; A380-Q384 PolarHBondContact O-N 3.22Å; Q384-Q386 VanDerWaalsContact C-N 3.31Å; Q384-Q386 PolarHBondContact O-N 3.1Å; Q384-L387 PolarHBondContact O-N 2.74Å; Q384-E388 PolarHBondContact NE2-OE1 2.76Å; Q384-E388 WeakPolarHBondContact O-CB 3.2Å; Q384-E388 WeakPolarHBondContact O-CG 3.43Å; Q384-E388 PolarHBondContact O-N 3.15Å |
| 385 | Q | 73.6 | Confident | 61.6 | Low | 137 Ų | 137 | 102.8 Ų | 102.8 | 64% | 0.64 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.6 | -28.8 | 175.8 | -168.6 | 163.8 | 52.7 | 0 | 0 | 112.7 | L381 Y382 E383 A389 | L381-Q385 VanDerWaalsContact O-CB 3.26Å; L381-Q385 WeakPolarHBondContact O-CB 3.44Å; L381-Q385 PolarHBondContact O-N 3.13Å; Y382-Q385 PolarHBondContact O-N 2.76Å; E383-Q385 VanDerWaalsContact C-N 3.32Å; E383-Q385 PolarHBondContact O-N 3.21Å; Q385-A389 WeakPolarHBondContact O-CB 3.42Å; Q385-A389 PolarHBondContact O-N 2.79Å |
| 386 | Q | 75.6 | Confident | 60.9 | Low | 91 Ų | 91 | 101.4 Ų | 101.4 | 43% | 0.425 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -74.9 | -38.8 | 171.7 | -74 | -178.5 | -0.4 | 0 | 0 | 112.4 | Y382 E383 Q384 A389 A390 | Y382-Q386 WeakPolarHBondContact O-CG 3.39Å; Y382-Q386 PolarHBondContact O-N 3.37Å; Y382-Q386 PolarHBondContact OH-NE2 3.34Å; E383-Q386 PolarHBondContact O-N 3.1Å; E383-Q386 VanDerWaalsContact O-N 3.16Å; Q384-Q386 VanDerWaalsContact C-N 3.31Å; Q384-Q386 PolarHBondContact O-N 3.1Å; Q386-A389 PolarHBondContact O-N 3.32Å; Q386-A390 WeakPolarHBondContact O-CB 3.41Å; Q386-A390 PolarHBondContact O-N 2.88Å |
| 387 | L | 72.4 | Confident | 60.5 | Low | 123 Ų | 123 | 99.7 Ų | 99.7 | 64% | 0.644 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -68 | -39.4 | 176.2 | -73.9 | 164 | 0 | 0 | 0 | 112.1 | E383 Q384 A389 A390 S391 | E383-L387 WeakPolarHBondContact O-CG 3.43Å; E383-L387 PolarHBondContact O-N 3.48Å; Q384-L387 PolarHBondContact O-N 2.74Å; L387-A389 VanDerWaalsContact C-N 3.34Å; L387-A390 PolarHBondContact O-N 2.88Å; L387-S391 PolarHBondContact O-N 2.9Å; L387-S391 PolarHBondContact O-OG 3.37Å |
| 388 | E | 71.6 | Confident | 59.5 | Low | 108 Ų | 108 | 104.4 Ų | 104.4 | 51% | 0.505 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.9 | -37.8 | 173.8 | -74.9 | 174.2 | -175.1 | 0 | 0 | 111.6 | Q384 S391 A392 | Q384-E388 PolarHBondContact NE2-OE1 2.76Å; Q384-E388 WeakPolarHBondContact O-CB 3.2Å; Q384-E388 WeakPolarHBondContact O-CG 3.43Å; Q384-E388 PolarHBondContact O-N 3.15Å; E388-S391 WeakPolarHBondContact CA-OG 3.34Å; E388-S391 PolarHBondContact O-OG 2.84Å; E388-A392 WeakPolarHBondContact O-CB 3.37Å; E388-A392 PolarHBondContact O-N 3.04Å |
| 389 | A | 66.4 | Low | 58.2 | Low | 53 Ų | 53 | 103.1 Ų | 103.1 | 44% | 0.438 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.6 | -33.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q385 Q386 L387 A393 | Q385-A389 WeakPolarHBondContact O-CB 3.42Å; Q385-A389 PolarHBondContact O-N 2.79Å; Q386-A389 PolarHBondContact O-N 3.32Å; L387-A389 VanDerWaalsContact C-N 3.34Å; A389-A393 PolarHBondContact O-N 3.41Å |
| 390 | A | 62.6 | Low | 57.3 | Low | 55 Ų | 55 | 106.8 Ų | 106.8 | 46% | 0.455 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -72.1 | -39.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q386 L387 A392 A393 E394 | Q386-A390 WeakPolarHBondContact O-CB 3.41Å; Q386-A390 PolarHBondContact O-N 2.88Å; L387-A390 PolarHBondContact O-N 2.88Å; A390-A392 VanDerWaalsContact C-N 3.33Å; A390-A392 PolarHBondContact O-N 2.89Å; A390-A393 WeakPolarHBondContact O-CB 3.43Å; A390-A393 PolarHBondContact O-N 3.3Å; A390-A393 VanDerWaalsContact O-N 3.14Å; A390-E394 PolarHBondContact O-N 3.28Å |
| 391 | S | 51.5 | Low | 56 | Low | 72 Ų | 72 | 115.7 Ų | 115.7 | 50% | 0.503 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -68.9 | -30.8 | 175 | 60 | 0 | 0 | 0 | 0 | 113 | L387 E388 A393 E394 E395 | L387-S391 PolarHBondContact O-N 2.9Å; L387-S391 PolarHBondContact O-OG 3.37Å; E388-S391 WeakPolarHBondContact CA-OG 3.34Å; E388-S391 PolarHBondContact O-OG 2.84Å; S391-A393 PolarHBondContact O-N 3.31Å; S391-E394 PolarHBondContact O-N 3.44Å; S391-E395 PolarHBondContact O-N 3.09Å |
| 392 | A | 57.8 | Low | 54.3 | Low | 67 Ų | 67 | 117.8 Ų | 117.8 | 55% | 0.554 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -71.1 | -15.9 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | E388 A390 | E388-A392 WeakPolarHBondContact O-CB 3.37Å; E388-A392 PolarHBondContact O-N 3.04Å; A390-A392 VanDerWaalsContact C-N 3.33Å; A390-A392 PolarHBondContact O-N 2.89Å |
| 393 | A | 56.8 | Low | 52.5 | Low | 85 Ų | 85 | 124.5 Ų | 124.5 | 70% | 0.702 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -88 | -18 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A389 A390 S391 | A389-A393 PolarHBondContact O-N 3.41Å; A390-A393 WeakPolarHBondContact O-CB 3.43Å; A390-A393 PolarHBondContact O-N 3.3Å; A390-A393 VanDerWaalsContact O-N 3.14Å; S391-A393 PolarHBondContact O-N 3.31Å |
| 394 | E | 50.3 | Low | 50.2 | Low | 177 Ų | 177 | 125.9 Ų | 125.9 | 83% | 0.827 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -84.8 | -18.1 | 174 | -72.2 | -96.5 | 143 | 0 | 0 | 112.6 | A390 S391 S396 | A390-E394 PolarHBondContact O-N 3.28Å; S391-E394 PolarHBondContact O-N 3.44Å; E394-S396 PolarHBondContact O-N 2.95Å |
| 395 | E | 46.9 | Very low | 48.2 | Very low | 160 Ų | 160 | 124.8 Ų | 124.8 | 75% | 0.748 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -75.8 | 114.7 | 169.8 | -111.3 | -180 | 173 | 0 | 0 | 110.2 | S391 | S391-E395 PolarHBondContact O-N 3.09Š|
| 396 | S | 41.9 | Very low | 45.9 | Very low | 104 Ų | 104 | 128.6 Ų | 128.6 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 136.6 | -176.4 | 53.5 | 0 | 0 | 0 | 0 | 113 | E394 | E394-S396 PolarHBondContact O-N 2.95Š|
| 397 | P | 39.3 | Very low | 43.6 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 75% | 0.747 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 142.9 | -177.2 | 25.8 | -32.8 | 0 | 0 | 0 | 110.8 | ||
| 398 | P | 36.3 | Very low | 41.5 | Very low | 114 Ų | 114 | 131.2 Ų | 131.2 | 74% | 0.74 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 144.3 | 174.1 | 24.7 | -32 | 0 | 0 | 0 | 110.1 | K400 | P398-K400 PolarHBondContact O-N 2.86Š|
| 399 | P | 32.5 | Very low | 39.4 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 128.8 | -174.7 | 22.5 | -32 | 0 | 0 | 0 | 110.9 | R401 | P399-R401 PolarHBondContact O-N 3.27Š|
| 400 | K | 38.3 | Very low | 37.5 | Very low | 204 Ų | 204 | 138 Ų | 138 | 89% | 0.887 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 123.9 | 175.5 | -66.9 | 176.6 | -179.5 | 174.9 | 0 | 109.3 | P398 | P398-K400 PolarHBondContact O-N 2.86Š|
| 401 | R | 30.7 | Very low | 35.8 | Very low | 237 Ų | 237 | 144.7 Ų | 144.7 | 89% | 0.894 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 135.3 | 167.9 | -71.7 | -176.7 | 178.8 | -160.2 | -0.1 | 109 | P399 R403 | P399-R401 PolarHBondContact O-N 3.27Å; R401-R403 PolarHBondContact O-N 3.41Å |
| 402 | P | 28.3 | Very low | 34.7 | Very low | 121 Ų | 121 | 150 Ų | 150 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 130.2 | 178.3 | 25.9 | -31.5 | 0 | 0 | 0 | 109.6 | I404 | P402-I404 PolarHBondContact O-N 2.94Š|
| 403 | R | 27.2 | Very low | 33.3 | Very low | 243 Ų | 243 | 155.8 Ų | 155.8 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 116.5 | 168.8 | -157.8 | 172.8 | 176.9 | 146.6 | -1.5 | 106.3 | R401 A405 | R401-R403 PolarHBondContact O-N 3.41Å; R403-A405 PolarHBondContact O-N 3.13Å |
| 404 | I | 26 | Very low | 31.9 | Very low | 145 Ų | 145 | 156.1 Ų | 156.1 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | trans | -63.1 | 105.7 | 174.3 | -62.6 | 171.4 | 0 | 0 | 0 | 107 | P402 Y406 | P402-I404 PolarHBondContact O-N 2.94Å; I404-Y406 HydrophobicContact CG2-CD2 3.9Å; I404-Y406 HydrophobicContact CG2-CE2 3.89Å | ||
| 405 | A | 25.8 | Very low | 30.8 | Very low | 83 Ų | 83 | 154.6 Ų | 154.6 | 69% | 0.686 | 80% | 0.798 | S | S | * | * | trans | -81.2 | 118.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 107 | R403 L407 | R403-A405 PolarHBondContact O-N 3.13Å; A405-L407 PolarHBondContact O-N 3.44Å | ||
| 406 | Y | 24.8 | Very low | 29.7 | Very low | 217 Ų | 217 | 154.5 Ų | 154.5 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | -80.3 | 95.2 | 159.1 | -90.8 | -89.9 | 0 | 0 | 0 | 107.1 | I404 | I404-Y406 HydrophobicContact CG2-CD2 3.9Å; I404-Y406 HydrophobicContact CG2-CE2 3.89Å | ||
| 407 | L | 28.3 | Very low | 28.8 | Very low | 156 Ų | 156 | 156.9 Ų | 156.9 | 82% | 0.817 | 81% | 0.806 | S | S | * | * | trans | -98.7 | 121.5 | 152.1 | -82 | 167.7 | 0 | 0 | 0 | 106.5 | A405 | A405-L407 PolarHBondContact O-N 3.44Š| ||
| 408 | S | 28.1 | Very low | 28.9 | Very low | 112 Ų | 112 | 156.6 Ų | 156.6 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | -121.4 | 108.1 | 159.5 | 54.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 409 | E | 28.3 | Very low | 28.3 | Very low | 175 Ų | 175 | 155.4 Ų | 155.4 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -99.5 | 173.9 | 159.8 | -80.5 | -171.6 | 164.6 | 0 | 0 | 109.9 | ||||
| 410 | V | 26.8 | Very low | 27.9 | Very low | 129 Ų | 129 | 157.7 Ų | 157.7 | 78% | 0.782 | 80% | 0.803 | S | S | * | * | trans | 91.8 | 115.1 | 175.4 | -153.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 411 | K | 25.4 | Very low | 27.1 | Very low | 196 Ų | 196 | 154.1 Ų | 154.1 | 85% | 0.852 | 80% | 0.798 | S | S | * | * | cis | -166 | 159.5 | 40.8 | -143.7 | 161.5 | -173.1 | 178.2 | 0 | 112.2 | ||||
| 412 | E | 29.6 | Very low | 26.6 | Very low | 183 Ų | 183 | 146.9 Ų | 146.9 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | trans | -62.1 | 150.3 | 176.2 | -54.1 | -175.3 | 146.8 | 0 | 0 | 116 | ||||
| 413 | E | 27.6 | Very low | 26.2 | Very low | 188 Ų | 188 | 149.1 Ų | 149.1 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | trans | 167.4 | 103.1 | 138.9 | -98.1 | 175.9 | 172.6 | 0 | 0 | 107.7 | ||||
| 414 | S | 27.3 | Very low | 25.9 | Very low | 93 Ų | 93 | 142.9 Ų | 142.9 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | 86.8 | 128.6 | 90.2 | 71 | 0 | 0 | 0 | 0 | 115 | |||||
| 415 | D | 26.8 | Very low | 25.7 | Very low | 144 Ų | 144 | 141 Ų | 141 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | 90.3 | 123.8 | 153 | -56.8 | -26.1 | 0 | 0 | 0 | 122.4 | ||||
| 416 | D | 24.8 | Very low | 25.6 | Very low | 158 Ų | 158 | 145 Ų | 145 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | 90.4 | 106.7 | 149.2 | -63.9 | -30.3 | 0 | 0 | 0 | 122.7 | ||||
| 417 | I | 22.9 | Very low | 25.5 | Very low | 155 Ų | 155 | 142.2 Ų | 142.2 | 80% | 0.795 | 78% | 0.775 | S | S | * | * | trans | -80.5 | 179.8 | 154.3 | -29.1 | 176.1 | 0 | 0 | 0 | 107.4 | ||||
| 418 | P | 40.7 | Very low | 25.4 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | cis | -136.7 | -177.7 | -17.9 | 15.1 | 12.6 | 0 | 0 | 0 | 114.9 | ||||
| 419 | A | 25.1 | Very low | 25.3 | Very low | 90 Ų | 90 | 140.4 Ų | 140.4 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | trans | 139.8 | 115.6 | 135 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 420 | Q | 23.7 | Very low | 25 | Very low | 175 Ų | 175 | 136.7 Ų | 136.7 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | 82 | 110.8 | 68.7 | -71.6 | -169.7 | 44.7 | 0 | 0 | 116.3 | |||||
| 421 | V | 20.9 | Very low | 24.9 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | 81.1 | 125 | 125.5 | -176.9 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 422 | A | 20.5 | Very low | 24.8 | Very low | 86 Ų | 86 | 136.2 Ų | 136.2 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | 63.9 | 163.5 | 145 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 423 | M | 18.8 | Very low | 24.4 | Very low | 167 Ų | 167 | 134.3 Ų | 134.3 | 82% | 0.823 | 78% | 0.777 | S | S | * | * | cis | -177.2 | 168.6 | -26.5 | -89.8 | -116.9 | -68.6 | 0 | 0 | 105.3 | ||||
| 424 | V | 20.7 | Very low | 24.2 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 68% | 0.679 | 77% | 0.769 | S | S | * | * | trans | 97.4 | 104.8 | 148.3 | -144.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 425 | T | 21.8 | Very low | 24 | Very low | 107 Ų | 107 | 133 Ų | 133 | 66% | 0.656 | 78% | 0.78 | S | S | * | * | trans | 57 | 133.9 | 133.5 | 71.5 | 0 | 0 | 0 | 0 | 127 | ||||
| 426 | E | 24.1 | Very low | 24 | Very low | 167 Ų | 167 | 133.8 Ų | 133.8 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | trans | 57.2 | 146.8 | 131 | -63.3 | 178.3 | -176.1 | 0 | 0 | 119.2 | ||||
| 427 | E | 23.9 | Very low | 24.2 | Very low | 157 Ų | 157 | 131.9 Ų | 131.9 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | cis | -168.8 | 154.7 | 21.8 | -130.3 | 175 | -172.5 | 0 | 0 | 108.8 | ||||
| 428 | D | 25.1 | Very low | 24.6 | Very low | 158 Ų | 158 | 133.1 Ų | 133.1 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | 60.4 | 132.5 | 153.6 | -76.3 | -21.4 | 0 | 0 | 0 | 125.9 | ||||
| 429 | G | 25.6 | Very low | 24.1 | Very low | 72 Ų | 72 | 135.6 Ų | 135.6 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | 154 | 71.1 | 154 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 430 | A | 22.5 | Very low | 24.6 | Very low | 98 Ų | 98 | 134.8 Ų | 134.8 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -68.7 | 153.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 431 | P | 25 | Very low | 24.8 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -116.8 | 131.4 | 133.8 | 32.2 | -28.1 | 0 | 0 | 0 | 112.4 | ||||
| 432 | Q | 22.8 | Very low | 25.2 | Very low | 188 Ų | 188 | 134.7 Ų | 134.7 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -72.6 | 141.9 | 173 | -74.2 | 164.4 | -3.5 | 0 | 0 | 111.7 | ||||
| 433 | V | 22.7 | Very low | 25.5 | Very low | 143 Ų | 143 | 139.5 Ų | 139.5 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -134.3 | 121.5 | 153 | -179.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 434 | A | 21.7 | Very low | 25.8 | Very low | 86 Ų | 86 | 138.3 Ų | 138.3 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | trans | -98 | 140.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 435 | L | 23.3 | Very low | 26.1 | Very low | 169 Ų | 169 | 138.3 Ų | 138.3 | 89% | 0.885 | 81% | 0.81 | S | S | * | * | trans | -129.8 | 125.6 | 158.5 | -79.3 | 171.9 | 0 | 0 | 0 | 108.8 | ||||
| 436 | I | 26.6 | Very low | 26.4 | Very low | 160 Ų | 160 | 140.1 Ų | 140.1 | 82% | 0.821 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 128.3 | -179 | -62.2 | 166.8 | 0 | 0 | 0 | 107.9 | ||
| 437 | T | 30.3 | Very low | 26.6 | Very low | 118 Ų | 118 | 135 Ų | 135 | 72% | 0.724 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 130.6 | 165.2 | 53.3 | 0 | 0 | 0 | 0 | 109.2 | ||
| 438 | Q | 30.8 | Very low | 27.2 | Very low | 181 Ų | 181 | 132.7 Ų | 132.7 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -74.4 | 135.2 | 159.3 | -82.5 | -179.6 | -22 | 0 | 0 | 108 | ||
| 439 | D | 29.7 | Very low | 27.9 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 84.1 | 71.6 | -179.4 | -50.4 | -21.4 | 0 | 0 | 0 | 114.7 | ||
| 440 | G | 35.3 | Very low | 28.3 | Very low | 72 Ų | 72 | 133.4 Ų | 133.4 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | -75.6 | 131 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 441 | A | 28.5 | Very low | 29 | Very low | 99 Ų | 99 | 135 Ų | 135 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -164.7 | 115.8 | 137.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 442 | Q | 29.5 | Very low | 29.5 | Very low | 202 Ų | 202 | 136.7 Ų | 136.7 | 94% | 0.944 | 77% | 0.768 | S | S | * | * | trans | 83.2 | 123.5 | 158 | -116.3 | 163.9 | 5.2 | 0 | 0 | 121.4 | ||||
| 443 | Q | 26.9 | Very low | 30 | Very low | 187 Ų | 187 | 131.2 Ų | 131.2 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | trans | -93.3 | 144.4 | -176.9 | -63 | 167.5 | -17 | 0 | 0 | 110.4 | ||||
| 444 | V | 25.2 | Very low | 30.4 | Very low | 142 Ų | 142 | 129.8 Ų | 129.8 | 86% | 0.861 | 74% | 0.742 | S | S | * | * | trans | -130 | 121.9 | 153.6 | 178.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 445 | S | 26.2 | Very low | 30.9 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 127.4 | 177.3 | 53.1 | 0 | 0 | 0 | 0 | 110.4 | ||
| 446 | L | 28.1 | Very low | 31.3 | Very low | 144 Ų | 144 | 125.5 Ų | 125.5 | 75% | 0.754 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 152.2 | 165.9 | -72.1 | 170 | 0 | 0 | 0 | 110.3 | ||
| 447 | S | 28.8 | Very low | 31.5 | Very low | 59 Ų | 59 | 121.8 Ų | 121.8 | 41% | 0.413 | 72% | 0.724 | S | S | . | * | P | Polyproline II helix | trans | -78.2 | 161.6 | -169.9 | 79.7 | 0 | 0 | 0 | 0 | 112.8 | E449 D450 | S447-E449 PolarHBondContact O-N 3.35Å; S447-E449 VanDerWaalsContact O-N 3.07Å; S447-D450 PolarHBondContact O-N 3.44Å |
| 448 | P | 36.4 | Very low | 31.6 | Very low | 110 Ų | 110 | 122.8 Ų | 122.8 | 71% | 0.714 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -63 | -14.3 | -176.5 | -20.1 | 32.6 | 0 | 0 | 0 | 115.2 | ||
| 449 | E | 40.4 | Very low | 31.6 | Very low | 161 Ų | 161 | 119 Ų | 119 | 75% | 0.752 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -75.2 | -28.8 | 178.2 | -64.7 | -175.5 | 170.2 | 0 | 0 | 112.1 | S447 L451 Q452 | S447-E449 PolarHBondContact O-N 3.35Å; S447-E449 VanDerWaalsContact O-N 3.07Å; E449-L451 VanDerWaalsContact C-N 3.32Å; E449-L451 PolarHBondContact O-N 3.28Å; E449-Q452 PolarHBondContact O-N 3.31Å |
| 450 | D | 33.7 | Very low | 31.6 | Very low | 83 Ų | 83 | 120.2 Ų | 120.2 | 44% | 0.444 | 72% | 0.719 | S | S | . | * | H | α-helix | trans | -75.5 | -20.6 | 176.8 | -64.2 | -42.4 | 0 | 0 | 0 | 112.7 | S447 | S447-D450 PolarHBondContact O-N 3.44Å |
| 451 | L | 36.1 | Very low | 31.2 | Very low | 133 Ų | 133 | 123.4 Ų | 123.4 | 70% | 0.696 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -82.5 | -21.6 | 175.8 | -91 | 162.5 | 0 | 0 | 0 | 113.1 | E449 | E449-L451 VanDerWaalsContact C-N 3.32Å; E449-L451 PolarHBondContact O-N 3.28Å |
| 452 | Q | 36.4 | Very low | 31.2 | Very low | 160 Ų | 160 | 124.6 Ų | 124.6 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -84.7 | -22.5 | 177 | -161.7 | 154.7 | -2.9 | 0 | 0 | 112.6 | E449 | E449-Q452 PolarHBondContact O-N 3.31Å |
| 453 | A | 32.9 | Very low | 31.3 | Very low | 73 Ų | 73 | 122.8 Ų | 122.8 | 60% | 0.603 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -71.7 | -26.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 454 | L | 31.8 | Very low | 31.3 | Very low | 114 Ų | 114 | 122 Ų | 122 | 60% | 0.597 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -79.9 | -19.1 | 177.1 | -104.8 | 144.9 | 0 | 0 | 0 | 113.8 | ||
| 455 | G | 31.7 | Very low | 31.4 | Very low | 58 Ų | 58 | 120.9 Ų | 120.9 | 60% | 0.598 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -83.7 | -15.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 456 | S | 32.4 | Very low | 31.4 | Very low | 107 Ų | 107 | 120.4 Ų | 120.4 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -102.8 | -6.7 | -177.3 | -60.4 | 0 | 0 | 0 | 0 | 114.2 | ||
| 457 | A | 30.9 | Very low | 31.4 | Very low | 82 Ų | 82 | 118.6 Ų | 118.6 | 68% | 0.678 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -92 | -4.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 458 | I | 30.9 | Very low | 31.2 | Very low | 139 Ų | 139 | 121.2 Ų | 121.2 | 71% | 0.713 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -113.1 | 32.4 | -173.9 | -50 | -178.6 | 0 | 0 | 0 | 112.4 | ||
| 459 | S | 30.8 | Very low | 30.6 | Very low | 102 Ų | 102 | 122.3 Ų | 122.3 | 71% | 0.713 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -132.4 | 13.9 | 173.5 | -140.8 | 0 | 0 | 0 | 0 | 117.5 | ||
| 460 | M | 29.7 | Very low | 29.9 | Very low | 184 Ų | 184 | 120.9 Ų | 120.9 | 91% | 0.906 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -143.2 | 46.7 | 165 | -67.9 | -162.2 | -154.2 | 0 | 0 | 114.3 | ||
| 461 | V | 27.5 | Very low | 29.5 | Very low | 140 Ų | 140 | 124.5 Ų | 124.5 | 85% | 0.848 | 73% | 0.732 | S | S | * | * | trans | -133.7 | 65.6 | 151 | -170.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 462 | T | 29.1 | Very low | 28.9 | Very low | 124 Ų | 124 | 123.9 Ų | 123.9 | 76% | 0.761 | 74% | 0.736 | S | S | * | * | trans | -120.5 | 108.8 | 144.7 | 56.5 | 0 | 0 | 0 | 0 | 102.6 | ||||
| 463 | Q | 31.1 | Very low | 28.7 | Very low | 163 Ų | 163 | 121.2 Ų | 121.2 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | S | Bend | -156.4 | 137.8 | 78.5 | -78.7 | 163.1 | 6.1 | 0 | 0 | 110.4 | |||
| 464 | H | 27 | Very low | 28.5 | Very low | 171 Ų | 171 | 126.3 Ų | 126.3 | 79% | 0.792 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 93.2 | 97 | 170.7 | -54.8 | -69.5 | 0 | 0 | 0 | 118.4 | ||
| 465 | S | 27.6 | Very low | 28.7 | Very low | 118 Ų | 118 | 128.5 Ų | 128.5 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | trans | 70.5 | 104.9 | 152.7 | 49.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 466 | S | 26.9 | Very low | 28.5 | Very low | 104 Ų | 104 | 130 Ų | 130 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -71.6 | 138.9 | 172.9 | -40.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 467 | T | 26.8 | Very low | 28.3 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 64% | 0.644 | 77% | 0.769 | S | S | * | * | trans | -113.6 | 131.5 | 169.2 | -46.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 468 | T | 25.7 | Very low | 28.4 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | trans | -112.4 | 130.9 | -177.3 | -23.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 469 | L | 23.3 | Very low | 28.5 | Very low | 134 Ų | 134 | 133.8 Ų | 133.8 | 70% | 0.702 | 78% | 0.777 | S | S | * | * | trans | -89.5 | 125.8 | 176.1 | -81.5 | 156.3 | 0 | 0 | 0 | 110.3 | M488 | L469-M488 HydrophobicContact CD2-CE 4.24Å; L469-M488 HydrophobicContact CD2-SD 3.88Å | ||
| 470 | T | 24.7 | Very low | 28.6 | Very low | 131 Ų | 131 | 134.3 Ų | 134.3 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -121.3 | 121.3 | 169.2 | 23.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 471 | I | 26.3 | Very low | 29.1 | Very low | 159 Ų | 159 | 129.2 Ų | 129.2 | 82% | 0.815 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -97 | 126.8 | 174.3 | -57.2 | 172.2 | 0 | 0 | 0 | 107.3 | S473 | I471-S473 PolarHBondContact O-N 3.44Š|
| 472 | P | 24.3 | Very low | 29.3 | Very low | 119 Ų | 119 | 123.7 Ų | 123.7 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 124.3 | 172.1 | -1.7 | 18 | 0 | 0 | 0 | 109.3 | H474 | P472-H474 PolarHBondContact O-N 3.18Š|
| 473 | S | 31.6 | Very low | 29.7 | Very low | 105 Ų | 105 | 122.3 Ų | 122.3 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 116.4 | 169.6 | 50.8 | 0 | 0 | 0 | 0 | 110.7 | I471 | I471-S473 PolarHBondContact O-N 3.44Š|
| 474 | H | 29.4 | Very low | 30 | Very low | 180 Ų | 180 | 118.7 Ų | 118.7 | 83% | 0.833 | 70% | 0.704 | S | S | * | * | trans | -164 | 135.8 | 139.6 | -102.9 | -66.7 | 0 | 0 | 0 | 110.2 | P472 A476 | P472-H474 PolarHBondContact O-N 3.18Å; H474-A476 PolarHBondContact O-N 3.38Å | ||
| 475 | D | 34.9 | Very low | 30.5 | Very low | 160 Ų | 160 | 115.1 Ų | 115.1 | 86% | 0.856 | 69% | 0.694 | S | S | * | * | trans | -35.1 | 119.5 | -175.2 | -62.8 | -65.3 | 0 | 0 | 0 | 116.2 | ||||
| 476 | A | 27.2 | Very low | 30.9 | Very low | 88 Ų | 88 | 112.5 Ų | 112.5 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | trans | -163.3 | 123.7 | 149.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | H474 L478 | H474-A476 PolarHBondContact O-N 3.38Å; A476-L478 PolarHBondContact O-N 2.99Å | ||
| 477 | D | 27.6 | Very low | 31.4 | Very low | 155 Ų | 155 | 111.4 Ų | 111.4 | 83% | 0.829 | 66% | 0.662 | S | S | * | * | trans | -48.3 | 121.9 | 179.6 | -65.2 | -59 | 0 | 0 | 0 | 114.3 | A479 | D477-A479 VanDerWaalsContact C-N 3.28Å; D477-A479 PolarHBondContact O-N 3.13Å | ||
| 478 | L | 34.5 | Very low | 31.7 | Very low | 174 Ų | 174 | 110.3 Ų | 110.3 | 91% | 0.911 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -77.5 | 76.3 | 166.2 | -87.5 | 108.3 | 0 | 0 | 0 | 110.4 | A476 | A476-L478 PolarHBondContact O-N 2.99Š|
| 479 | A | 32.3 | Very low | 32.2 | Very low | 80 Ų | 80 | 108.2 Ų | 108.2 | 66% | 0.661 | 64% | 0.638 | S | S | * | * | trans | -142.5 | 16.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | D477 | D477-A479 VanDerWaalsContact C-N 3.28Å; D477-A479 PolarHBondContact O-N 3.13Å | ||
| 480 | T | 32.7 | Very low | 32.7 | Very low | 113 Ų | 113 | 104.5 Ų | 104.5 | 69% | 0.693 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -132.7 | 139.4 | -179.9 | 49.7 | 0 | 0 | 0 | 0 | 113.4 | G482 | T480-G482 PolarHBondContact O-N 2.91Š|
| 481 | S | 39.5 | Very low | 33.2 | Very low | 77 Ų | 77 | 101.6 Ų | 101.6 | 54% | 0.538 | 61% | 0.612 | S | S | . | * | trans | -51.5 | 123.7 | 170.1 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | T503 | S481-T503 WeakPolarHBondContact CA-O 3.48Š| ||
| 482 | G | 33 | Very low | 33.7 | Very low | 23 Ų | 23 | 100.1 Ų | 100.1 | 24% | 0.237 | 61% | 0.606 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -163.7 | 153.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | T480 T503 | T480-G482 PolarHBondContact O-N 2.91Å; G482-T503 PolarHBondContact N-O 2.82Å; G482-T503 PolarHBondContact O-N 3.45Å |
| 483 | T | 36.9 | Very low | 34.3 | Very low | 96 Ų | 96 | 97.1 Ų | 97.1 | 59% | 0.589 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.1 | 114.5 | 164.7 | 35.2 | 0 | 0 | 0 | 0 | 108.9 | T500 I501 I502 | T483-T500 HydrophobicContact CG2-CG2 4.21Å; T483-I501 CarbonylContact C-O 3.53Å; T483-I501 WeakPolarHBondContact CA-O 3.48Å; T483-I502 HydrophobicContact CG2-CB 4.42Å; T483-I502 HydrophobicContact CG2-CD1 3.67Å; T483-I502 HydrophobicContact CG2-CG1 3.59Å; T483-I502 HydrophobicContact CG2-CG2 4.27Å |
| 484 | H | 38.5 | Very low | 34.7 | Very low | 87 Ų | 87 | 97.6 Ų | 97.6 | 40% | 0.403 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.2 | 115.5 | 175.4 | -62 | -76.4 | 0 | 0 | 0 | 110 | T500 I501 | H484-T500 CarbonylContact O-C 3.28Å; H484-T500 WeakPolarHBondContact O-CA 3.34Å; H484-I501 PolarHBondContact N-O 3.24Å; H484-I501 PolarHBondContact O-N 2.77Å |
| 485 | T | 36 | Very low | 34.9 | Very low | 95 Ų | 95 | 95.1 Ų | 95.1 | 58% | 0.583 | 58% | 0.584 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88 | 113 | 169.2 | 25.3 | 0 | 0 | 0 | 0 | 109.8 | V499 T500 | T485-V499 CarbonylContact C-O 3.54Å; T485-V499 WeakPolarHBondContact CA-O 3.46Å; T485-T500 HydrophobicContact CG2-CG2 4.05Å; T485-T500 WeakPolarHBondContact CG2-OG1 3.4Å |
| 486 | V | 37.3 | Very low | 35 | Very low | 63 Ų | 63 | 91.9 Ų | 91.9 | 38% | 0.382 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.3 | 130.8 | 174 | -178.1 | 0 | 0 | 0 | 0 | 108.4 | V499 I501 | V486-V499 PolarHBondContact N-O 3.17Å; V486-V499 PolarHBondContact O-N 3.2Å; V486-I501 HydrophobicContact CG2-CD1 4.12Å |
| 487 | T | 37.1 | Very low | 35.4 | Very low | 81 Ų | 81 | 93 Ų | 93 | 50% | 0.497 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.2 | 115 | 178.4 | -23.8 | 0 | 0 | 0 | 0 | 109 | Q497 | T487-Q497 WeakPolarHBondContact CA-O 3.47Å |
| 488 | M | 33.4 | Very low | 35.7 | Very low | 83 Ų | 83 | 90.2 Ų | 90.2 | 41% | 0.409 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.6 | 128.1 | 173.4 | -67.7 | -67.8 | -75.9 | 0 | 0 | 108.6 | L469 T496 Q497 V499 | L469-M488 HydrophobicContact CD2-CE 4.24Å; L469-M488 HydrophobicContact CD2-SD 3.88Å; M488-T496 WeakPolarHBondContact O-CA 3.31Å; M488-Q497 PolarHBondContact N-O 3.41Å; M488-Q497 PolarHBondContact O-N 3.32Å; M488-V499 HydrophobicContact CG-CG2 4.17Å |
| 489 | V | 35.9 | Very low | 35.8 | Very low | 70 Ų | 70 | 85.2 Ų | 85.2 | 42% | 0.424 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 127.9 | 177.5 | -169 | 0 | 0 | 0 | 0 | 108.1 | Q495 T496 | V489-Q495 WeakPolarHBondContact CA-O 3.46Å; V489-T496 HydrophobicContact CG1-CG2 4.24Å; V489-T496 HydrophobicContact CG2-CG2 3.99Å |
| 490 | S | 33.8 | Very low | 35.9 | Very low | 56 Ų | 56 | 85.4 Ų | 85.4 | 39% | 0.392 | 52% | 0.521 | S | S | . | . | trans | -63.4 | 151.7 | 172 | -176.6 | 0 | 0 | 0 | 0 | 110.7 | D492 G493 Q495 | S490-D492 PolarHBondContact O-N 2.75Å; S490-G493 PolarHBondContact O-N 3.13Å; S490-Q495 PolarHBondContact N-O 3.04Å; S490-Q495 VanDerWaalsContact N-O 3.12Å | ||
| 491 | A | 35.9 | Very low | 36.1 | Very low | 69 Ų | 69 | 84.1 Ų | 84.1 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -19 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 492 | D | 35.7 | Very low | 35.8 | Very low | 128 Ų | 128 | 86 Ų | 86 | 68% | 0.684 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -1 | -179.6 | -40.2 | -19.5 | 0 | 0 | 0 | 112.9 | S490 T494 | S490-D492 PolarHBondContact O-N 2.75Å; D492-T494 PolarHBondContact O-N 2.94Å |
| 493 | G | 37 | Very low | 36 | Very low | 57 Ų | 57 | 88.2 Ų | 88.2 | 59% | 0.588 | 52% | 0.52 | S | S | * | . | S | Bend | trans | 71.8 | 3.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | S490 | S490-G493 PolarHBondContact O-N 3.13Š|
| 494 | T | 40.6 | Very low | 35.7 | Very low | 115 Ų | 115 | 89 Ų | 89 | 71% | 0.706 | 53% | 0.53 | S | S | * | . | trans | -100.5 | -16.6 | -169.3 | 51 | 0 | 0 | 0 | 0 | 115.6 | D492 | D492-T494 PolarHBondContact O-N 2.94Š| ||
| 495 | Q | 33.3 | Very low | 35.4 | Very low | 127 Ų | 127 | 87.1 Ų | 87.1 | 59% | 0.593 | 53% | 0.534 | S | S | * | . | trans | -126.6 | 128.1 | 175.3 | -75.4 | -171 | 23.1 | 0 | 0 | 111.6 | V489 S490 | V489-Q495 WeakPolarHBondContact CA-O 3.46Å; S490-Q495 PolarHBondContact N-O 3.04Å; S490-Q495 VanDerWaalsContact N-O 3.12Å | ||
| 496 | T | 36.4 | Very low | 35 | Very low | 93 Ų | 93 | 87 Ų | 87 | 57% | 0.571 | 54% | 0.543 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 126 | 173.1 | 58.4 | 0 | 0 | 0 | 0 | 108.4 | M488 V489 | M488-T496 WeakPolarHBondContact O-CA 3.31Å; V489-T496 HydrophobicContact CG1-CG2 4.24Å; V489-T496 HydrophobicContact CG2-CG2 3.99Å |
| 497 | Q | 36.3 | Very low | 34.5 | Very low | 112 Ų | 112 | 90.5 Ų | 90.5 | 52% | 0.523 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.7 | 130.2 | 173.5 | -67.9 | -163.9 | 15.4 | 0 | 0 | 111 | T487 M488 | T487-Q497 WeakPolarHBondContact CA-O 3.47Å; M488-Q497 PolarHBondContact N-O 3.41Å; M488-Q497 PolarHBondContact O-N 3.32Å |
| 498 | P | 34.4 | Very low | 33.9 | Very low | 95 Ų | 95 | 92.8 Ų | 92.8 | 62% | 0.617 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80.9 | 127.5 | 178.7 | 30.9 | -31.8 | 0 | 0 | 0 | 111.1 | ||
| 499 | V | 35.3 | Very low | 33.6 | Very low | 70 Ų | 70 | 93.3 Ų | 93.3 | 42% | 0.424 | 60% | 0.595 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.1 | 123.5 | 173.2 | 179.6 | 0 | 0 | 0 | 0 | 108.2 | T485 V486 M488 | T485-V499 CarbonylContact C-O 3.54Å; T485-V499 WeakPolarHBondContact CA-O 3.46Å; V486-V499 PolarHBondContact N-O 3.17Å; V486-V499 PolarHBondContact O-N 3.2Å; M488-V499 HydrophobicContact CG-CG2 4.17Å |
| 500 | T | 34.7 | Very low | 33.3 | Very low | 83 Ų | 83 | 99 Ų | 99 | 51% | 0.509 | 62% | 0.617 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98 | 116 | -179.1 | -42.5 | 0 | 0 | 0 | 0 | 110.7 | T483 H484 T485 | T483-T500 HydrophobicContact CG2-CG2 4.21Å; H484-T500 CarbonylContact O-C 3.28Å; H484-T500 WeakPolarHBondContact O-CA 3.34Å; T485-T500 HydrophobicContact CG2-CG2 4.05Å; T485-T500 WeakPolarHBondContact CG2-OG1 3.4Å |
| 501 | I | 36.6 | Very low | 32.9 | Very low | 87 Ų | 87 | 103.5 Ų | 103.5 | 45% | 0.446 | 64% | 0.637 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.5 | 127.7 | 176.1 | -56.2 | 175.5 | 0 | 0 | 0 | 108.1 | T483 H484 V486 T503 | T483-I501 CarbonylContact C-O 3.53Å; T483-I501 WeakPolarHBondContact CA-O 3.48Å; H484-I501 PolarHBondContact N-O 3.24Å; H484-I501 PolarHBondContact O-N 2.77Å; V486-I501 HydrophobicContact CG2-CD1 4.12Å; I501-T503 HydrophobicContact CG2-CG2 4.32Å |
| 502 | I | 34.4 | Very low | 32.4 | Very low | 117 Ų | 117 | 105.9 Ų | 105.9 | 60% | 0.6 | 65% | 0.649 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.7 | 114.2 | 178.5 | -48.6 | -171.1 | 0 | 0 | 0 | 109 | T483 | T483-I502 HydrophobicContact CG2-CB 4.42Å; T483-I502 HydrophobicContact CG2-CD1 3.67Å; T483-I502 HydrophobicContact CG2-CG1 3.59Å; T483-I502 HydrophobicContact CG2-CG2 4.27Å |
| 503 | T | 35.5 | Very low | 32 | Very low | 68 Ų | 68 | 103.3 Ų | 103.3 | 42% | 0.417 | 65% | 0.653 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.3 | 121.9 | 175.8 | 49.3 | 0 | 0 | 0 | 0 | 110.1 | S481 G482 I501 | S481-T503 WeakPolarHBondContact CA-O 3.48Å; G482-T503 PolarHBondContact N-O 2.82Å; G482-T503 PolarHBondContact O-N 3.45Å; I501-T503 HydrophobicContact CG2-CG2 4.32Å |
| 504 | S | 32.3 | Very low | 31.6 | Very low | 112 Ų | 112 | 107.3 Ų | 107.3 | 78% | 0.783 | 67% | 0.666 | S | S | * | * | trans | -100.2 | 106.9 | 178.6 | -55.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 505 | G | 30.8 | Very low | 30.8 | Very low | 49 Ų | 49 | 106 Ų | 106 | 51% | 0.505 | 67% | 0.666 | S | S | . | * | trans | -106.2 | 128.1 | 170 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 506 | A | 28.2 | Very low | 30.5 | Very low | 92 Ų | 92 | 105.4 Ų | 105.4 | 76% | 0.76 | 68% | 0.677 | S | S | * | * | trans | -90.2 | 115.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 507 | V | 26.1 | Very low | 29.9 | Very low | 137 Ų | 137 | 108.3 Ų | 108.3 | 83% | 0.83 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 126.9 | 168 | -172.8 | 0 | 0 | 0 | 0 | 108.1 | ||
| 508 | V | 26.3 | Very low | 29.5 | Very low | 129 Ų | 129 | 112.6 Ų | 112.6 | 78% | 0.782 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 123.2 | 177.1 | -178.1 | 0 | 0 | 0 | 0 | 108.8 | ||
| 509 | A | 25.4 | Very low | 29.6 | Very low | 93 Ų | 93 | 116 Ų | 116 | 77% | 0.769 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 135.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | D511 | A509-D511 PolarHBondContact O-N 3.37Š|
| 510 | E | 30.4 | Very low | 29.5 | Very low | 189 Ų | 189 | 119.5 Ų | 119.5 | 88% | 0.883 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 116.9 | -179.4 | -57.6 | -166.9 | 151.8 | 0 | 0 | 111.1 | ||
| 511 | D | 26.3 | Very low | 29.4 | Very low | 152 Ų | 152 | 122.6 Ų | 122.6 | 81% | 0.813 | 73% | 0.727 | S | S | * | * | -179.1 | 134.8 | 115.8 | -118.4 | -27.5 | 0 | 0 | 0 | 111.3 | A509 | A509-D511 PolarHBondContact O-N 3.37Š| |||
| 512 | S | 25.4 | Very low | 29.2 | Very low | 118 Ų | 118 | 122 Ų | 122 | 83% | 0.825 | 73% | 0.727 | S | S | * | * | trans | 67.5 | 107.2 | 164.1 | 70.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 513 | G | 26.8 | Very low | 29.3 | Very low | 75 Ų | 75 | 118.3 Ų | 118.3 | 77% | 0.773 | 71% | 0.714 | S | S | * | * | 80.7 | 82.4 | 127.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 514 | V | 28.1 | Very low | 29.2 | Very low | 141 Ų | 141 | 120.5 Ų | 120.5 | 86% | 0.855 | 72% | 0.723 | S | S | * | * | trans | 62.6 | 103.1 | 150.3 | -164.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 515 | A | 23.8 | Very low | 29.5 | Very low | 86 Ų | 86 | 119.7 Ų | 119.7 | 71% | 0.711 | 71% | 0.709 | S | S | * | * | trans | -156.4 | 123.3 | 132.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 516 | S | 27 | Very low | 29.5 | Very low | 116 Ų | 116 | 120.9 Ų | 120.9 | 81% | 0.811 | 71% | 0.714 | S | S | * | * | trans | -75.5 | 119 | 168.1 | 176.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 517 | L | 23.4 | Very low | 30 | Very low | 154 Ų | 154 | 118.8 Ų | 118.8 | 81% | 0.806 | 69% | 0.692 | S | S | * | * | trans | -117.3 | 113.9 | 167.8 | -85.7 | 152.5 | 0 | 0 | 0 | 107.3 | ||||
| 518 | R | 29.1 | Very low | 30.4 | Very low | 202 Ų | 202 | 116.9 Ų | 116.9 | 76% | 0.762 | 69% | 0.69 | S | S | * | * | trans | -65.3 | 132.2 | 176.5 | -70.3 | 177.2 | 169.6 | -169.1 | -11.8 | 109.2 | Q520 | R518-Q520 PolarHBondContact O-N 2.91Š| ||
| 519 | H | 35.4 | Very low | 30.8 | Very low | 167 Ų | 167 | 117.9 Ų | 117.9 | 77% | 0.773 | 69% | 0.691 | S | S | * | * | trans | -73.6 | 113.9 | 169.5 | -73.3 | 78.4 | 0 | 0 | 0 | 108.5 | ||||
| 520 | Q | 32.7 | Very low | 31.3 | Very low | 143 Ų | 143 | 116.3 Ų | 116.3 | 67% | 0.668 | 69% | 0.685 | S | S | * | * | trans | -105.6 | 107.9 | 157.6 | -94.3 | 175.7 | -14.2 | 0 | 0 | 106 | R518 V522 | R518-Q520 PolarHBondContact O-N 2.91Å; Q520-V522 PolarHBondContact O-N 3.32Å | ||
| 521 | Q | 33.1 | Very low | 31.5 | Very low | 148 Ų | 148 | 111.2 Ų | 111.2 | 69% | 0.692 | 67% | 0.667 | S | S | * | * | trans | -75.6 | 114.3 | 169.5 | -70.8 | 177.4 | -8.1 | 0 | 0 | 107.2 | ||||
| 522 | V | 33.8 | Very low | 32 | Very low | 73 Ų | 73 | 110.7 Ų | 110.7 | 44% | 0.442 | 66% | 0.659 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.6 | 111.8 | 171.2 | 178.9 | 0 | 0 | 0 | 0 | 106.6 | Q520 L524 A534 | Q520-V522 PolarHBondContact O-N 3.32Å; V522-L524 HydrophobicContact CG1-CG 4.31Å; V522-A534 HydrophobicContact CG1-CB 4.45Å |
| 523 | A | 35.9 | Very low | 32.5 | Very low | 41 Ų | 41 | 107.8 Ų | 107.8 | 34% | 0.339 | 63% | 0.634 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.2 | 121.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108 | V535 | A523-V535 PolarHBondContact N-O 3Å; A523-V535 PolarHBondContact O-N 3.03Å; A523-V535 VanDerWaalsContact O-N 3.1Å |
| 524 | L | 33.2 | Very low | 32.9 | Very low | 114 Ų | 114 | 107.5 Ų | 107.5 | 60% | 0.597 | 62% | 0.624 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -103.5 | 110 | 173 | -86.8 | 160.1 | 0 | 0 | 0 | 108.3 | V522 H532 A534 | V522-L524 HydrophobicContact CG1-CG 4.31Å; L524-H532 HydrophobicContact CD2-CB 4.31Å; L524-A534 HydrophobicContact CD2-CB 3.86Å |
| 525 | L | 38.5 | Very low | 33.3 | Very low | 94 Ų | 94 | 102.2 Ų | 102.2 | 49% | 0.492 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.9 | 118.1 | 169.7 | -74.8 | 158.7 | 0 | 0 | 0 | 107.8 | I533 | L525-I533 PolarHBondContact N-O 3.21Å; L525-I533 PolarHBondContact O-N 3.41Å; L525-I533 VanDerWaalsContact O-N 3.1Å |
| 526 | A | 31.5 | Very low | 34 | Very low | 74 Ų | 74 | 103.3 Ų | 103.3 | 61% | 0.612 | 58% | 0.582 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.5 | 122 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||
| 527 | T | 38.6 | Very low | 34.5 | Very low | 49 Ų | 49 | 99.8 Ų | 99.8 | 30% | 0.301 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -100.5 | 159.2 | 172.8 | 63.8 | 0 | 0 | 0 | 0 | 110.6 | N529 G530 T531 M554 | T527-N529 PolarHBondContact O-N 3.32Å; T527-G530 PolarHBondContact O-N 3.41Å; T527-T531 PolarHBondContact N-O 3.46Å; T527-T531 PolarHBondContact OG1-OG1 3.36Å; T527-T531 VanDerWaalsContact OG1-OG1 3.05Å; T527-M554 HydrophobicContact CG2-CE 4.46Å |
| 528 | A | 34.8 | Very low | 35.2 | Very low | 96 Ų | 96 | 100.1 Ų | 100.1 | 79% | 0.793 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -6.3 | -167.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 529 | N | 33.9 | Very low | 36 | Very low | 150 Ų | 150 | 100.2 Ų | 100.2 | 80% | 0.802 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | 12 | 179.2 | -68.3 | -11.9 | 0 | 0 | 0 | 114 | T527 T531 | T527-N529 PolarHBondContact O-N 3.32Å; N529-T531 VanDerWaalsContact C-N 3.26Å; N529-T531 PolarHBondContact O-N 2.92Å |
| 530 | G | 35.8 | Very low | 36.3 | Very low | 61 Ų | 61 | 101.3 Ų | 101.3 | 63% | 0.629 | 57% | 0.566 | S | S | * | * | S | Bend | trans | 76.2 | 10.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | T527 | T527-G530 PolarHBondContact O-N 3.41Š|
| 531 | T | 33.7 | Very low | 36.6 | Very low | 82 Ų | 82 | 99.4 Ų | 99.4 | 50% | 0.503 | 56% | 0.557 | S | S | . | * | trans | -85 | 119.5 | 169.2 | 42.8 | 0 | 0 | 0 | 0 | 109.9 | T527 N529 | T527-T531 PolarHBondContact N-O 3.46Å; T527-T531 PolarHBondContact OG1-OG1 3.36Å; T527-T531 VanDerWaalsContact OG1-OG1 3.05Å; N529-T531 VanDerWaalsContact C-N 3.26Å; N529-T531 PolarHBondContact O-N 2.92Å | ||
| 532 | H | 36.9 | Very low | 37.3 | Very low | 141 Ų | 141 | 96.3 Ų | 96.3 | 65% | 0.653 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 118 | 172 | -67.1 | -70.3 | 0 | 0 | 0 | 109.1 | L524 | L524-H532 HydrophobicContact CD2-CB 4.31Å |
| 533 | I | 35.6 | Very low | 37.6 | Very low | 57 Ų | 57 | 98.1 Ų | 98.1 | 29% | 0.292 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.4 | 111.8 | 171.9 | -56.9 | 176.5 | 0 | 0 | 0 | 106.9 | L525 V535 | L525-I533 PolarHBondContact N-O 3.21Å; L525-I533 PolarHBondContact O-N 3.41Å; L525-I533 VanDerWaalsContact O-N 3.1Å; I533-V535 HydrophobicContact CG2-CG2 3.96Å |
| 534 | A | 36.6 | Very low | 38 | Very low | 68 Ų | 68 | 104 Ų | 104 | 56% | 0.562 | 58% | 0.575 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.9 | 111.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | V522 L524 | V522-A534 HydrophobicContact CG1-CB 4.45Å; L524-A534 HydrophobicContact CD2-CB 3.86Å |
| 535 | V | 36.4 | Very low | 38.4 | Very low | 30 Ų | 30 | 103.2 Ų | 103.2 | 18% | 0.182 | 57% | 0.569 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.1 | 116.9 | 173.6 | -173.4 | 0 | 0 | 0 | 0 | 108.3 | A523 I533 L537 A546 | A523-V535 PolarHBondContact N-O 3Å; A523-V535 PolarHBondContact O-N 3.03Å; A523-V535 VanDerWaalsContact O-N 3.1Å; I533-V535 HydrophobicContact CG2-CG2 3.96Å; V535-L537 HydrophobicContact CG1-CD2 4.28Å; V535-A546 HydrophobicContact CG1-CB 4.13Å |
| 536 | Q | 37.8 | Very low | 38.5 | Very low | 109 Ų | 109 | 99.2 Ų | 99.2 | 51% | 0.509 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 106.5 | 174.4 | -173.3 | 127.3 | 13.6 | 0 | 0 | 107.7 | E538 | Q536-E538 PolarHBondContact O-N 3.5Å |
| 537 | L | 38.5 | Very low | 39.1 | Very low | 43 Ų | 43 | 99.8 Ų | 99.8 | 23% | 0.225 | 54% | 0.541 | C | S | . | . | trans | -75.4 | 118.1 | 177.6 | -64.1 | 168.4 | 0 | 0 | 0 | 108.8 | V535 A546 | V535-L537 HydrophobicContact CG1-CD2 4.28Å; L537-A546 HydrophobicContact CD2-CB 3.56Å | ||
| 538 | E | 36.6 | Very low | 39.4 | Very low | 161 Ų | 161 | 101.2 Ų | 101.2 | 75% | 0.752 | 55% | 0.553 | S | S | * | * | trans | -81.9 | 152.8 | 161.7 | -70.3 | -170.3 | 163.9 | 0 | 0 | 109.3 | Q536 Q540 Q541 | Q536-E538 PolarHBondContact O-N 3.5Å; E538-Q540 PolarHBondContact O-N 3.14Å; E538-Q541 PolarHBondContact O-N 3.26Å | ||
| 539 | E | 46.7 | Very low | 39.9 | Very low | 203 Ų | 203 | 101.1 Ų | 101.1 | 95% | 0.949 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 16.4 | -150.1 | -149.2 | 166.4 | -170 | 0 | 0 | 117.2 | ||
| 540 | Q | 41.7 | Very low | 40.3 | Very low | 191 Ų | 191 | 95 Ų | 95 | 89% | 0.893 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.4 | 4.7 | 176.5 | -71.9 | -167.6 | -42.4 | 0 | 0 | 116.9 | E538 | E538-Q540 PolarHBondContact O-N 3.14Š|
| 541 | Q | 38.4 | Very low | 40.7 | Very low | 102 Ų | 102 | 95.3 Ų | 95.3 | 48% | 0.477 | 50% | 0.502 | S | S | . | . | trans | -89.9 | 128.8 | 175.3 | -76.6 | -175.8 | -22.8 | 0 | 0 | 111.9 | E538 | E538-Q541 PolarHBondContact O-N 3.26Š| ||
| 542 | T | 49 | Very low | 41.1 | Very low | 83 Ų | 83 | 94 Ų | 94 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | trans | -71.6 | 152 | 172.1 | 62.1 | 0 | 0 | 0 | 0 | 109.8 | E544 E545 A546 | T542-E544 PolarHBondContact O-N 3.46Å; T542-E545 PolarHBondContact O-N 3.35Å; T542-A546 PolarHBondContact O-N 3.4Å | ||
| 543 | L | 39.9 | Very low | 41.4 | Very low | 112 Ų | 112 | 90.8 Ų | 90.8 | 59% | 0.586 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -53.8 | -27.7 | -178.5 | -174.6 | 67 | 0 | 0 | 0 | 112.6 | I547 | L543-I547 HydrophobicContact CG-CD1 4.17Å; L543-I547 WeakPolarHBondContact O-CD1 3.4Å; L543-I547 VanDerWaalsContact O-CG1 3.24Å; L543-I547 WeakPolarHBondContact O-CG1 3.31Å; L543-I547 PolarHBondContact O-N 3.28Å |
| 544 | E | 43.8 | Very low | 41.8 | Very low | 163 Ų | 163 | 94 Ų | 94 | 76% | 0.762 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -73.7 | -37.9 | 178.7 | -63.6 | -173.9 | 159 | 0 | 0 | 113.2 | T542 A546 I547 S548 | T542-E544 PolarHBondContact O-N 3.46Å; E544-A546 VanDerWaalsContact C-N 3.34Å; E544-I547 PolarHBondContact O-N 3.43Å; E544-S548 PolarHBondContact O-N 3.42Å |
| 545 | E | 40.8 | Very low | 42.4 | Very low | 99 Ų | 99 | 98.3 Ų | 98.3 | 46% | 0.463 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.4 | -38.7 | 174.3 | -73.5 | -176.7 | 151.7 | 0 | 0 | 111.5 | T542 S548 V549 | T542-E545 PolarHBondContact O-N 3.35Å; E545-S548 PolarHBondContact O-N 3.49Å; E545-V549 WeakPolarHBondContact O-CG2 3.45Å; E545-V549 PolarHBondContact O-N 3.49Å |
| 546 | A | 41.8 | Very low | 42.5 | Very low | 10 Ų | 10 | 105 Ų | 105 | 8% | 0.083 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -66.2 | -36.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V535 L537 T542 E544 A550 | V535-A546 HydrophobicContact CG1-CB 4.13Å; L537-A546 HydrophobicContact CD2-CB 3.56Å; T542-A546 PolarHBondContact O-N 3.4Å; E544-A546 VanDerWaalsContact C-N 3.34Å; A546-A550 WeakPolarHBondContact O-CB 3.38Å; A546-A550 PolarHBondContact O-N 3.33Å |
| 547 | I | 44 | Very low | 42.5 | Very low | 86 Ų | 86 | 103.2 Ų | 103.2 | 44% | 0.441 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69.6 | -41.3 | 174.3 | -68.2 | 165.1 | 0 | 0 | 0 | 110.1 | L543 E544 V549 A550 T551 | L543-I547 HydrophobicContact CG-CD1 4.17Å; L543-I547 WeakPolarHBondContact O-CD1 3.4Å; L543-I547 VanDerWaalsContact O-CG1 3.24Å; L543-I547 WeakPolarHBondContact O-CG1 3.31Å; L543-I547 PolarHBondContact O-N 3.28Å; E544-I547 PolarHBondContact O-N 3.43Å; I547-V549 PolarHBondContact O-N 3.48Å; I547-A550 PolarHBondContact O-N 3.29Å; I547-T551 WeakPolarHBondContact O-CB 3.48Å; I547-T551 PolarHBondContact O-N 3.41Å; I547-T551 PolarHBondContact O-OG1 2.9Å |
| 548 | S | 44.7 | Very low | 42.5 | Very low | 79 Ų | 79 | 105.9 Ų | 105.9 | 55% | 0.552 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -60.3 | -44.5 | 177.4 | -170.2 | 0 | 0 | 0 | 0 | 112.6 | E544 E545 T551 A552 | E544-S548 PolarHBondContact O-N 3.42Å; E545-S548 PolarHBondContact O-N 3.49Å; S548-T551 PolarHBondContact O-N 3.31Å; S548-A552 WeakPolarHBondContact O-CB 3.32Å; S548-A552 PolarHBondContact O-N 3.06Å |
| 549 | V | 46.2 | Very low | 42.2 | Very low | 94 Ų | 94 | 104.6 Ų | 104.6 | 57% | 0.57 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.1 | -41.6 | 176.7 | 173.6 | 0 | 0 | 0 | 0 | 112 | E545 I547 T551 A552 A553 | E545-V549 WeakPolarHBondContact O-CG2 3.45Å; E545-V549 PolarHBondContact O-N 3.49Å; I547-V549 PolarHBondContact O-N 3.48Å; V549-T551 VanDerWaalsContact C-N 3.31Å; V549-T551 PolarHBondContact O-N 2.89Å; V549-A552 PolarHBondContact O-N 3.16Å; V549-A553 PolarHBondContact O-N 3.22Å; V549-A553 VanDerWaalsContact O-N 3.12Å |
| 550 | A | 41.3 | Very low | 41.4 | Very low | 20 Ų | 20 | 100.9 Ų | 100.9 | 17% | 0.165 | 58% | 0.584 | C | S | . | * | H | α-helix | trans | -64.6 | -35.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | A546 I547 M554 | A546-A550 WeakPolarHBondContact O-CB 3.38Å; A546-A550 PolarHBondContact O-N 3.33Å; I547-A550 PolarHBondContact O-N 3.29Å; A550-M554 WeakPolarHBondContact O-CG 3.31Å; A550-M554 PolarHBondContact O-N 3.48Å |
| 551 | T | 44.7 | Very low | 40.8 | Very low | 68 Ų | 68 | 99.6 Ų | 99.6 | 42% | 0.417 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -75.5 | -34.6 | 179.9 | -39.8 | 0 | 0 | 0 | 0 | 111.7 | I547 S548 V549 M554 | I547-T551 WeakPolarHBondContact O-CB 3.48Å; I547-T551 PolarHBondContact O-N 3.41Å; I547-T551 PolarHBondContact O-OG1 2.9Å; S548-T551 PolarHBondContact O-N 3.31Å; V549-T551 VanDerWaalsContact C-N 3.31Å; V549-T551 PolarHBondContact O-N 2.89Å; T551-M554 PolarHBondContact O-N 3.34Å |
| 552 | A | 42.7 | Very low | 40.2 | Very low | 54 Ų | 54 | 102.9 Ų | 102.9 | 45% | 0.446 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.4 | -36.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S548 V549 M554 Q555 | S548-A552 WeakPolarHBondContact O-CB 3.32Å; S548-A552 PolarHBondContact O-N 3.06Å; V549-A552 PolarHBondContact O-N 3.16Å; A552-M554 PolarHBondContact O-N 3.32Å; A552-Q555 PolarHBondContact O-N 3.39Å |
| 553 | A | 42.6 | Very low | 39.3 | Very low | 74 Ų | 74 | 105.3 Ų | 105.3 | 61% | 0.612 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.7 | -24.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V549 | V549-A553 PolarHBondContact O-N 3.22Å; V549-A553 VanDerWaalsContact O-N 3.12Å |
| 554 | M | 44 | Very low | 38.7 | Very low | 124 Ų | 124 | 106.1 Ų | 106.1 | 61% | 0.611 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -13.9 | 178.2 | -68.6 | 178.9 | 70.8 | 0 | 0 | 113.8 | T527 A550 T551 A552 | T527-M554 HydrophobicContact CG2-CE 4.46Å; A550-M554 WeakPolarHBondContact O-CG 3.31Å; A550-M554 PolarHBondContact O-N 3.48Å; T551-M554 PolarHBondContact O-N 3.34Å; A552-M554 PolarHBondContact O-N 3.32Å |
| 555 | Q | 48.8 | Very low | 37.9 | Very low | 160 Ų | 160 | 104.6 Ų | 104.6 | 75% | 0.748 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -94.1 | -10.2 | -177.5 | -73.2 | 171.9 | -1.3 | 0 | 0 | 114.1 | A552 G557 | A552-Q555 PolarHBondContact O-N 3.39Å; Q555-G557 PolarHBondContact O-N 3.06Å |
| 556 | Q | 38.4 | Very low | 37.4 | Very low | 170 Ų | 170 | 102 Ų | 102 | 79% | 0.794 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -94.1 | 95.2 | 172.5 | -64.5 | -171 | 9.3 | 0 | 0 | 110 | ||
| 557 | G | 38.5 | Very low | 37.1 | Very low | 72 Ų | 72 | 111.7 Ų | 111.7 | 74% | 0.742 | 66% | 0.66 | S | S | * | * | trans | -65.4 | 142.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q555 | Q555-G557 PolarHBondContact O-N 3.06Š| ||
| 558 | A | 37.6 | Very low | 36.7 | Very low | 98 Ų | 98 | 112.4 Ų | 112.4 | 81% | 0.81 | 67% | 0.673 | S | S | * | * | trans | 57.3 | 86.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 559 | V | 30.7 | Very low | 36.3 | Very low | 135 Ų | 135 | 111.6 Ų | 111.6 | 82% | 0.818 | 68% | 0.677 | S | S | * | * | trans | -86.8 | 108 | 157.4 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | L561 | V559-L561 PolarHBondContact O-N 3Š| ||
| 560 | T | 30.3 | Very low | 35.8 | Very low | 125 Ų | 125 | 114.2 Ų | 114.2 | 77% | 0.767 | 70% | 0.698 | S | S | * | * | trans | -70.8 | 117.3 | 163.3 | 43.4 | 0 | 0 | 0 | 0 | 109.1 | E562 | T560-E562 PolarHBondContact O-N 3.4Å; T560-E562 VanDerWaalsContact O-N 3.17Å | ||
| 561 | L | 28 | Very low | 35.5 | Very low | 164 Ų | 164 | 119 Ų | 119 | 86% | 0.859 | 73% | 0.725 | S | S | * | * | trans | -71.9 | 99.5 | 170.6 | -88.5 | 151.3 | 0 | 0 | 0 | 109.5 | V559 | V559-L561 PolarHBondContact O-N 3Š| ||
| 562 | E | 26.6 | Very low | 35 | Very low | 171 Ų | 171 | 121.6 Ų | 121.6 | 80% | 0.799 | 74% | 0.741 | S | S | * | * | trans | -79.8 | 112.3 | 156.5 | -75.9 | -167.5 | 160.5 | 0 | 0 | 108.6 | T560 T564 | T560-E562 PolarHBondContact O-N 3.4Å; T560-E562 VanDerWaalsContact O-N 3.17Å; E562-T564 PolarHBondContact O-N 3.38Å; E562-T564 VanDerWaalsContact O-N 3.11Å | ||
| 563 | T | 29.4 | Very low | 34.6 | Very low | 133 Ų | 133 | 125.4 Ų | 125.4 | 82% | 0.816 | 76% | 0.757 | S | S | * | * | trans | -66.9 | 103.8 | 169.5 | 40.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 564 | T | 27.3 | Very low | 34.1 | Very low | 129 Ų | 129 | 128.4 Ų | 128.4 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | -91 | 113.4 | 160.6 | 46.6 | 0 | 0 | 0 | 0 | 108 | E562 S566 | E562-T564 PolarHBondContact O-N 3.38Å; E562-T564 VanDerWaalsContact O-N 3.11Å; T564-S566 PolarHBondContact O-N 3.44Å | ||
| 565 | V | 28.4 | Very low | 33.5 | Very low | 131 Ų | 131 | 128.7 Ų | 128.7 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | -71 | 119.9 | 172.6 | 177.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 566 | S | 28.7 | Very low | 32.5 | Very low | 45 Ų | 45 | 126.6 Ų | 126.6 | 32% | 0.315 | 78% | 0.777 | S | S | . | * | trans | -66.2 | 139.7 | 170.7 | 68 | 0 | 0 | 0 | 0 | 109.7 | T564 S568 G569 C570 | T564-S566 PolarHBondContact O-N 3.44Å; S566-S568 PolarHBondContact O-N 3.35Å; S566-S568 PolarHBondContact OG-OG 3.34Å; S566-G569 PolarHBondContact O-N 3.47Å; S566-C570 PolarHBondContact OG-N 3.13Å; S566-C570 PolarHBondContact OG-O 3.28Å | ||
| 567 | E | 36.7 | Very low | 32 | Very low | 214 Ų | 214 | 123.5 Ų | 123.5 | 100% | 1 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | 0.2 | 176.2 | -79.3 | -176.4 | 151 | 0 | 0 | 113.7 | ||
| 568 | S | 36 | Very low | 31.5 | Very low | 100 Ų | 100 | 127.5 Ų | 127.5 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 7.6 | 166.9 | 53.4 | 0 | 0 | 0 | 0 | 114.6 | S566 C570 | S566-S568 PolarHBondContact O-N 3.35Å; S566-S568 PolarHBondContact OG-OG 3.34Å; S568-C570 VanDerWaalsContact C-N 3.32Å; S568-C570 PolarHBondContact O-N 3.46Å |
| 569 | G | 35.6 | Very low | 31 | Very low | 63 Ų | 63 | 129.9 Ų | 129.9 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | trans | 57.5 | 40.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S566 | S566-G569 PolarHBondContact O-N 3.47Š| ||
| 570 | C | 34.7 | Very low | 31.1 | Very low | 149 Ų | 149 | 129.5 Ų | 129.5 | 100% | 1.007 | 77% | 0.772 | S | S | * | * | trans | -115.7 | 0 | 164.1 | -72.9 | 0 | 0 | 0 | 0 | 109.3 | S566 S568 | S566-C570 PolarHBondContact OG-N 3.13Å; S566-C570 PolarHBondContact OG-O 3.28Å; S568-C570 VanDerWaalsContact C-N 3.32Å; S568-C570 PolarHBondContact O-N 3.46Å |
Retrieved 570 of 570 residues in 240.6 ms
(Link to these results)