| 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 | 36.5 | Very low | 36.1 | Very low | 222 Ų | 222 | 140.8 Ų | 140.8 | 100% | 1.094 | 80% | 0.801 | S | S | * | * | 0 | 81.5 | 0 | -65.9 | 167.6 | 176.9 | 0 | 0 | 106 | |||||
| 2 | D | 32.2 | Very low | 35.6 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | cis | 69.3 | 129.3 | 48 | -43.1 | -46.2 | 0 | 0 | 0 | 110.7 | ||||
| 3 | S | 34.2 | Very low | 35.2 | Very low | 113 Ų | 113 | 137.2 Ų | 137.2 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | cis | -151.7 | 161.8 | 10.3 | -117.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 4 | I | 43.5 | Very low | 35.1 | Very low | 135 Ų | 135 | 135.4 Ų | 135.4 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | trans | -70.9 | 154.6 | 162.6 | -66.5 | 160.1 | 0 | 0 | 0 | 109.4 | T6 | I4-T6 HydrophobicContact CG2-CG2 3.73Š| ||
| 5 | P | 47.6 | Very low | 35.7 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | trans | -129.2 | 119.6 | 133 | 34.6 | -26.4 | 0 | 0 | 0 | 112.8 | ||||
| 6 | T | 38.8 | Very low | 35.3 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | -103.1 | 135.7 | 171.3 | 41.1 | 0 | 0 | 0 | 0 | 110.5 | I4 | I4-T6 HydrophobicContact CG2-CG2 3.73Š| ||
| 7 | G | 33.4 | Very low | 35.4 | Very low | 75 Ų | 75 | 133.8 Ų | 133.8 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | 169.3 | 154.8 | 154.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 8 | R | 37.6 | Very low | 35.4 | Very low | 222 Ų | 222 | 138.1 Ų | 138.1 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | cis | -165.4 | 112.3 | -21 | -169.7 | 172 | -176.3 | 170.4 | -0.8 | 109.5 | ||||
| 9 | D | 31.7 | Very low | 35.3 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 67% | 0.668 | 80% | 0.802 | S | S | * | * | trans | 52.4 | 156.8 | 149.7 | -49 | -35.5 | 0 | 0 | 0 | 123.5 | ||||
| 10 | T | 31.7 | Very low | 35 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | 81.6 | 86 | 146.9 | 35.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 11 | T | 30 | Very low | 35 | Very low | 121 Ų | 121 | 140 Ų | 140 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | 70.2 | 132.9 | 116 | 53.3 | 0 | 0 | 0 | 0 | 124 | |||||
| 12 | S | 29.7 | Very low | 34.6 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | trans | 73.7 | 152.5 | 151.6 | 81.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 13 | S | 30.2 | Very low | 34.6 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | cis | -141.4 | -174.2 | 5.1 | 58.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 14 | S | 34.7 | Very low | 34.9 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -82 | -177.4 | -161.9 | -47.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 15 | P | 43.4 | Very low | 34.8 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -92.3 | 171.2 | -146.6 | 38.9 | -40 | 0 | 0 | 0 | 115.4 | ||||
| 16 | N | 29.1 | Very low | 35.1 | Very low | 164 Ų | 164 | 133 Ų | 133 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | trans | -130.2 | 148.1 | 158.6 | -159.5 | -6.3 | 0 | 0 | 0 | 111.2 | ||||
| 17 | S | 38.1 | Very low | 35.8 | Very low | 88 Ų | 88 | 134.4 Ų | 134.4 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | trans | -91.5 | 128.1 | -166.2 | -177.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 18 | K | 34.2 | Very low | 37.3 | Very low | 211 Ų | 211 | 133.7 Ų | 133.7 | 92% | 0.917 | 74% | 0.742 | S | S | * | * | trans | -134.9 | 83.7 | 146.1 | -73.4 | -163.4 | 176 | -177.8 | 0 | 109.3 | E20 | K18-E20 VanDerWaalsContact C-N 3.33Å; K18-E20 PolarHBondContact O-N 3.07Å | ||
| 19 | Q | 33.5 | Very low | 39 | Very low | 162 Ų | 162 | 130.3 Ų | 130.3 | 76% | 0.757 | 73% | 0.733 | S | S | * | * | trans | -74.2 | 81.1 | 176.9 | -170.8 | -178.9 | 17.2 | 0 | 0 | 110.6 | L21 | Q19-L21 HydrophobicContact CG-CD1 4.16Å; Q19-L21 PolarHBondContact O-N 3.23Å | ||
| 20 | E | 29.1 | Very low | 41.1 | Very low | 178 Ų | 178 | 129 Ų | 129 | 83% | 0.832 | 73% | 0.731 | S | S | * | * | trans | -73.5 | 121.5 | 168.8 | -152.3 | -169.9 | 149.2 | 0 | 0 | 109.4 | K18 S22 | K18-E20 VanDerWaalsContact C-N 3.33Å; K18-E20 PolarHBondContact O-N 3.07Å; E20-S22 PolarHBondContact O-N 3.49Å | ||
| 21 | L | 35.1 | Very low | 43.4 | Very low | 115 Ų | 115 | 126 Ų | 126 | 60% | 0.602 | 71% | 0.711 | S | S | * | * | trans | -76.1 | 73.7 | 176.7 | -92.5 | 75.5 | 0 | 0 | 0 | 110.4 | Q19 Y23 | Q19-L21 HydrophobicContact CG-CD1 4.16Å; Q19-L21 PolarHBondContact O-N 3.23Å; L21-Y23 VanDerWaalsContact C-N 3.33Å; L21-Y23 HydrophobicContact CB-CE2 4.43Å; L21-Y23 VanDerWaalsContact O-CD2 3.29Å; L21-Y23 WeakPolarHBondContact O-CD2 2.96Å; L21-Y23 PolarHBondContact O-N 2.74Å | ||
| 22 | S | 29.1 | Very low | 46.1 | Very low | 106 Ų | 106 | 124.8 Ų | 124.8 | 74% | 0.741 | 70% | 0.696 | S | S | * | * | trans | -70.2 | 92.3 | 166 | -163.4 | 0 | 0 | 0 | 0 | 109 | E20 | E20-S22 PolarHBondContact O-N 3.49Š| ||
| 23 | Y | 31.7 | Very low | 49 | Very low | 175 Ų | 175 | 122.2 Ų | 122.2 | 69% | 0.686 | 68% | 0.675 | S | S | * | * | trans | -54.6 | 138.8 | 169.6 | -68.1 | -95.2 | 0 | 0 | 0 | 109 | L21 S25 | L21-Y23 VanDerWaalsContact C-N 3.33Å; L21-Y23 HydrophobicContact CB-CE2 4.43Å; L21-Y23 VanDerWaalsContact O-CD2 3.29Å; L21-Y23 WeakPolarHBondContact O-CD2 2.96Å; L21-Y23 PolarHBondContact O-N 2.74Å; Y23-S25 VanDerWaalsContact C-N 3.28Å; Y23-S25 PolarHBondContact O-N 3.04Å; Y23-S25 PolarHBondContact O-OG 2.81Å | ||
| 24 | P | 40.4 | Very low | 51.8 | Low | 116 Ų | 116 | 118.2 Ų | 118.2 | 75% | 0.753 | 65% | 0.652 | S | S | * | * | trans | -66.3 | 88.1 | -176.5 | 27.3 | -35 | 0 | 0 | 0 | 110.7 | T26 | P24-T26 PolarHBondContact O-N 2.65Š| ||
| 25 | S | 40.9 | Very low | 54.6 | Low | 109 Ų | 109 | 119.2 Ų | 119.2 | 76% | 0.762 | 65% | 0.645 | S | S | * | * | trans | -75 | 74.9 | 177.1 | -63.1 | 0 | 0 | 0 | 0 | 108.5 | Y23 N27 | Y23-S25 VanDerWaalsContact C-N 3.28Å; Y23-S25 PolarHBondContact O-N 3.04Å; Y23-S25 PolarHBondContact O-OG 2.81Å; S25-N27 PolarHBondContact O-N 3.29Å | ||
| 26 | T | 54.4 | Low | 56.9 | Low | 97 Ų | 97 | 113.9 Ų | 113.9 | 60% | 0.595 | 61% | 0.609 | S | S | * | * | trans | -47.3 | 122.2 | 172.8 | 46.9 | 0 | 0 | 0 | 0 | 109 | P24 L28 | P24-T26 PolarHBondContact O-N 2.65Å; T26-L28 PolarHBondContact O-N 3.46Å; T26-L28 WeakPolarHBondContact OG1-CG 3.13Å | ||
| 27 | N | 53.8 | Low | 59.9 | Low | 162 Ų | 162 | 110.2 Ų | 110.2 | 87% | 0.866 | 59% | 0.593 | S | S | * | * | trans | -79.5 | 68.3 | -177.6 | -151.4 | -81.3 | 0 | 0 | 0 | 108.9 | S25 K29 | S25-N27 PolarHBondContact O-N 3.29Å; N27-K29 PolarHBondContact O-N 2.98Å | ||
| 28 | L | 64 | Low | 62.5 | Low | 61 Ų | 61 | 106.2 Ų | 106.2 | 32% | 0.319 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -67.8 | 121.9 | -170.8 | -64.9 | 177.8 | 0 | 0 | 0 | 110.3 | T26 V47 | T26-L28 PolarHBondContact O-N 3.46Å; T26-L28 WeakPolarHBondContact OG1-CG 3.13Å; L28-V47 HydrophobicContact CB-CB 4.47Å; L28-V47 HydrophobicContact CB-CG1 3.74Å; L28-V47 HydrophobicContact CB-CG2 4.01Å; L28-V47 HydrophobicContact CD1-CG1 4.39Å; L28-V47 HydrophobicContact CD1-CG2 4.04Å; L28-V47 HydrophobicContact CG-CG2 4.46Å |
| 29 | K | 74.4 | Confident | 65.1 | Low | 151 Ų | 151 | 101.7 Ų | 101.7 | 66% | 0.657 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 135.4 | -179.1 | -69.6 | 176.5 | 179.6 | 175.3 | 0 | 109.5 | N27 N31 Q32 | N27-K29 PolarHBondContact O-N 2.98Å; K29-N31 PolarHBondContact O-N 3.43Å; K29-Q32 HydrophobicContact CB-CB 4.42Å; K29-Q32 WeakPolarHBondContact O-CB 3.23Å; K29-Q32 PolarHBondContact O-N 3.38Å |
| 30 | P | 75.4 | Confident | 67.7 | Low | 96 Ų | 96 | 97.1 Ų | 97.1 | 62% | 0.623 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 136.7 | -179.2 | 26 | -34.2 | 0 | 0 | 0 | 110.6 | Q32 | P30-Q32 PolarHBondContact O-N 2.84Š|
| 31 | N | 79.4 | Confident | 70.7 | Confident | 61 Ų | 61 | 91.5 Ų | 91.5 | 33% | 0.326 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 17.2 | -172.1 | -37.7 | -82.2 | 0 | 0 | 0 | 115 | K29 V33 L46 V47 Q90 I93 | K29-N31 PolarHBondContact O-N 3.43Å; N31-V33 PolarHBondContact O-N 3.44Å; N31-L46 WeakPolarHBondContact O-CD1 3.5Å; N31-V47 WeakPolarHBondContact CA-O 3.34Å; N31-V47 PolarHBondContact N-O 2.89Å; N31-Q90 VanDerWaalsContact OD1-CG 3.25Å; N31-Q90 WeakPolarHBondContact OD1-CG 3.49Å; N31-Q90 PolarHBondContact OD1-NE2 2.91Å; N31-I93 HydrophobicContact CB-CD1 4.22Å |
| 32 | Q | 86.8 | Confident | 73.4 | Confident | 94 Ų | 94 | 89 Ų | 89 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | trans | -63.3 | 128.2 | 164 | -178.6 | 170.3 | -3.6 | 0 | 0 | 109.5 | K29 P30 V47 | K29-Q32 HydrophobicContact CB-CB 4.42Å; K29-Q32 WeakPolarHBondContact O-CB 3.23Å; K29-Q32 PolarHBondContact O-N 3.38Å; P30-Q32 PolarHBondContact O-N 2.84Å; Q32-V47 HydrophobicContact CB-CG2 4.23Å; Q32-V47 PolarHBondContact O-N 3.16Å | ||
| 33 | V | 90.6 | Very high | 76.6 | Confident | 66 Ų | 66 | 83.9 Ų | 83.9 | 40% | 0.4 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 138.7 | 172.1 | -175.2 | 0 | 0 | 0 | 0 | 109 | N31 V44 L46 I93 A97 | N31-V33 PolarHBondContact O-N 3.44Å; V33-V44 HydrophobicContact CG1-CG1 3.85Å; V33-L46 HydrophobicContact CG2-CD1 3.87Å; V33-I93 HydrophobicContact CG2-CG2 3.23Å; V33-A97 HydrophobicContact CG1-CB 4.27Å |
| 34 | G | 90.3 | Very high | 79.6 | Confident | 30 Ų | 30 | 76.2 Ų | 76.2 | 31% | 0.309 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | -176.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | S45 | G34-S45 WeakPolarHBondContact CA-OG 3.28Å; G34-S45 PolarHBondContact N-O 2.86Å; G34-S45 PolarHBondContact O-N 3.1Å; G34-S45 PolarHBondContact O-OG 3.02Å |
| 35 | E | 92 | Very high | 82.1 | Confident | 135 Ų | 135 | 70.8 Ų | 70.8 | 63% | 0.631 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 125.6 | 174.8 | -174.1 | 172.8 | -111.9 | 0 | 0 | 108.2 | P42 | E35-P42 VanDerWaalsContact CD-CB 3.48Å; E35-P42 HydrophobicContact CG-CB 3.73Å; E35-P42 WeakPolarHBondContact OE1-CB 3.47Å |
| 36 | T | 91.9 | Very high | 84.7 | Confident | 14 Ų | 14 | 65.6 Ų | 65.6 | 9% | 0.086 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 126.5 | 177.3 | -101.6 | 0 | 0 | 0 | 0 | 109.1 | I43 E52 L54 K112 | T36-I43 PolarHBondContact N-O 2.82Å; T36-I43 PolarHBondContact O-N 3.32Å; T36-E52 VanDerWaalsContact CB-OE1 3.32Å; T36-E52 WeakPolarHBondContact CB-OE1 3.48Å; T36-E52 PolarHBondContact OG1-OE1 2.99Å; T36-E52 PolarHBondContact OG1-OE2 3.08Å; T36-L54 HydrophobicContact CG2-CD1 4.43Å; T36-L54 HydrophobicContact CG2-CD2 3.86Å; T36-L54 HydrophobicContact CG2-CG 4.38Å; T36-K112 HydrophobicContact CG2-CD 3.75Å; T36-K112 HydrophobicContact CG2-CG 4.07Å |
| 37 | V | 92.8 | Very high | 86.4 | Confident | 87 Ų | 87 | 61.4 Ų | 61.4 | 53% | 0.527 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 128.9 | 173 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | I41 | V37-I41 WeakPolarHBondContact CA-O 3.13Å |
| 38 | L | 92.4 | Very high | 88.2 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 112.3 | -178.5 | -177.4 | 64.2 | 0 | 0 | 0 | 108.6 | G40 I41 I43 L54 I59 L63 A115 E116 | L38-G40 PolarHBondContact O-N 2.9Å; L38-I41 PolarHBondContact N-O 2.82Å; L38-I41 PolarHBondContact O-N 2.86Å; L38-I43 HydrophobicContact CB-CG1 4.04Å; L38-I43 HydrophobicContact CD2-CG1 4.31Å; L38-L54 HydrophobicContact CD2-CD2 4.05Å; L38-I59 HydrophobicContact CD2-CD1 4.08Å; L38-I59 HydrophobicContact CD2-CG1 4.05Å; L38-L63 HydrophobicContact CB-CD1 4.21Å; L38-L63 HydrophobicContact CD2-CD1 3.59Å; L38-L63 HydrophobicContact CG-CD1 3.69Å; L38-A115 HydrophobicContact CD1-CB 4.43Å; L38-A115 HydrophobicContact CD2-CB 3.71Å; L38-E116 HydrophobicContact CD1-CG 3.63Å |
| 39 | Y | 88.4 | Confident | 89.2 | Confident | 117 Ų | 117 | 57.9 Ų | 57.9 | 46% | 0.459 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 37.4 | -171.3 | -60.1 | -82.8 | 0 | 0 | 0 | 114.4 | I41 L63 E116 C119 | Y39-I41 VanDerWaalsContact C-N 3.25Å; Y39-I41 PolarHBondContact O-N 2.86Å; Y39-L63 HydrophobicContact CD2-CD1 4.34Å; Y39-E116 PolarHBondContact OH-O 3.36Å; Y39-C119 HydrophobicContact CD2-CB 4.02Å; Y39-C119 HydrophobicContact CE2-CB 3.5Å; Y39-C119 VanDerWaalsContact CE2-CB 3.5Å |
| 40 | G | 87.9 | Confident | 89.6 | Confident | 65 Ų | 65 | 53.2 Ų | 53.2 | 67% | 0.67 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | -10.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L38 | L38-G40 PolarHBondContact O-N 2.9Š|
| 41 | I | 92.2 | Very high | 90.2 | Very high | 61 Ų | 61 | 53.2 Ų | 53.2 | 31% | 0.313 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 129.3 | 174.3 | -57.5 | -169.2 | 0 | 0 | 0 | 109.4 | V37 L38 Y39 I43 L63 | V37-I41 WeakPolarHBondContact CA-O 3.13Å; L38-I41 PolarHBondContact N-O 2.82Å; L38-I41 PolarHBondContact O-N 2.86Å; Y39-I41 VanDerWaalsContact C-N 3.25Å; Y39-I41 PolarHBondContact O-N 2.86Å; I41-I43 HydrophobicContact CG2-CD1 4.04Å; I41-L63 HydrophobicContact CB-CD2 4.35Å; I41-L63 HydrophobicContact CD1-CD2 3.62Å; I41-L63 HydrophobicContact CD1-CG 4.09Å; I41-L63 HydrophobicContact CG1-CD2 3.99Å |
| 42 | P | 93.3 | Very high | 90.8 | Very high | 61 Ų | 61 | 53.3 Ų | 53.3 | 40% | 0.396 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 130.3 | 169.2 | 27.1 | -31.9 | 0 | 0 | 0 | 110.9 | E35 | E35-P42 VanDerWaalsContact CD-CB 3.48Å; E35-P42 HydrophobicContact CG-CB 3.73Å; E35-P42 WeakPolarHBondContact OE1-CB 3.47Å |
| 43 | I | 95.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 132.2 | 176.6 | -58.3 | -65.6 | 0 | 0 | 0 | 108.4 | T36 L38 I41 S45 L54 Q58 I59 T62 | T36-I43 PolarHBondContact N-O 2.82Å; T36-I43 PolarHBondContact O-N 3.32Å; L38-I43 HydrophobicContact CB-CG1 4.04Å; L38-I43 HydrophobicContact CD2-CG1 4.31Å; I41-I43 HydrophobicContact CG2-CD1 4.04Å; I43-S45 PolarHBondContact O-N 3.14Å; I43-L54 HydrophobicContact CB-CD2 4.15Å; I43-L54 HydrophobicContact CG2-CB 3.95Å; I43-L54 HydrophobicContact CG2-CD2 3.96Å; I43-L54 HydrophobicContact CG2-CG 4.23Å; I43-Q58 HydrophobicContact CD1-CG 4.09Å; I43-I59 HydrophobicContact CD1-CG1 4.27Å; I43-I59 HydrophobicContact CG1-CG1 4.3Å; I43-I59 HydrophobicContact CG2-CD1 4.36Å; I43-I59 HydrophobicContact CG2-CG1 3.9Å; I43-T62 WeakPolarHBondContact CD1-OG1 2.98Å |
| 44 | V | 94.6 | Very high | 91.5 | Very high | 13 Ų | 13 | 47 Ų | 47 | 8% | 0.079 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 133 | -179.9 | 178.9 | 0 | 0 | 0 | 0 | 109.7 | V33 C55 L94 A97 A99 | V33-V44 HydrophobicContact CG1-CG1 3.85Å; V44-C55 PolarHBondContact O-N 3.39Å; V44-L94 HydrophobicContact CG1-CD2 3.94Å; V44-A97 HydrophobicContact CG1-CB 3.96Å; V44-A99 HydrophobicContact CB-CB 3.72Å; V44-A99 HydrophobicContact CG1-CB 4.15Å; V44-A99 HydrophobicContact CG2-CB 3.88Å |
| 45 | S | 93.8 | Very high | 91.7 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.014 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 159.7 | 178 | 69.2 | 0 | 0 | 0 | 0 | 111.9 | G34 I43 E52 R53 | G34-S45 WeakPolarHBondContact CA-OG 3.28Å; G34-S45 PolarHBondContact N-O 2.86Å; G34-S45 PolarHBondContact O-N 3.1Å; G34-S45 PolarHBondContact O-OG 3.02Å; I43-S45 PolarHBondContact O-N 3.14Å; S45-E52 WeakPolarHBondContact CB-OE1 3.47Å; S45-E52 WeakPolarHBondContact OG-CG 3.46Å; S45-E52 PolarHBondContact OG-OE1 2.9Å; S45-R53 CarbonylContact C-O 3.51Å; S45-R53 VanDerWaalsContact CA-O 3.24Å; S45-R53 WeakPolarHBondContact CA-O 3.27Å |
| 46 | L | 94.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 134.9 | 178.5 | -162.1 | 71.3 | 0 | 0 | 0 | 109 | N31 V33 I48 R53 Q90 I93 M109 | N31-L46 WeakPolarHBondContact O-CD1 3.5Å; V33-L46 HydrophobicContact CG2-CD1 3.87Å; L46-I48 HydrophobicContact CD2-CD1 4.31Å; L46-I48 HydrophobicContact CD2-CG1 4.31Å; L46-I48 HydrophobicContact CG-CG1 4.42Å; L46-I48 PolarHBondContact O-N 3.09Å; L46-R53 PolarHBondContact N-O 2.92Å; L46-R53 PolarHBondContact O-N 3Å; L46-Q90 HydrophobicContact CD2-CB 3.66Å; L46-Q90 HydrophobicContact CD2-CG 3.66Å; L46-I93 HydrophobicContact CD1-CG2 3.95Å; L46-M109 HydrophobicContact CB-CE 3.68Å |
| 47 | V | 91.9 | Very high | 91.9 | Very high | 9 Ų | 9 | 40.9 Ų | 40.9 | 6% | 0.055 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 113.7 | 175.5 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | L28 N31 Q32 | L28-V47 HydrophobicContact CB-CB 4.47Å; L28-V47 HydrophobicContact CB-CG1 3.74Å; L28-V47 HydrophobicContact CB-CG2 4.01Å; L28-V47 HydrophobicContact CD1-CG1 4.39Å; L28-V47 HydrophobicContact CD1-CG2 4.04Å; L28-V47 HydrophobicContact CG-CG2 4.46Å; N31-V47 WeakPolarHBondContact CA-O 3.34Å; N31-V47 PolarHBondContact N-O 2.89Å; Q32-V47 HydrophobicContact CB-CG2 4.23Å; Q32-V47 PolarHBondContact O-N 3.16Å |
| 48 | I | 89.8 | Confident | 91.9 | Very high | 8 Ų | 8 | 38.3 Ų | 38.3 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 125.6 | 177 | -53 | -179.5 | 0 | 0 | 0 | 107.6 | L46 G50 Q51 V84 M109 | L46-I48 HydrophobicContact CD2-CD1 4.31Å; L46-I48 HydrophobicContact CD2-CG1 4.31Å; L46-I48 HydrophobicContact CG-CG1 4.42Å; L46-I48 PolarHBondContact O-N 3.09Å; I48-G50 VanDerWaalsContact C-N 3.25Å; I48-G50 PolarHBondContact O-N 2.92Å; I48-Q51 PolarHBondContact N-O 2.86Å; I48-Q51 PolarHBondContact O-N 2.82Å; I48-V84 HydrophobicContact CG2-CG1 4.43Å; I48-M109 HydrophobicContact CD1-CB 4.24Å; I48-M109 HydrophobicContact CD1-CE 4.5Å; I48-M109 HydrophobicContact CD1-CG 4.01Å |
| 49 | D | 85.1 | Confident | 92 | Very high | 141 Ų | 141 | 38.1 Ų | 38.1 | 75% | 0.754 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 38.7 | -177.7 | -45.4 | -37.6 | 0 | 0 | 0 | 113.3 | Q51 | D49-Q51 PolarHBondContact O-N 2.84Š|
| 50 | G | 84.4 | Confident | 92.2 | Very high | 54 Ų | 54 | 33.3 Ų | 33.3 | 56% | 0.557 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | -1.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115 | I48 | I48-G50 VanDerWaalsContact C-N 3.25Å; I48-G50 PolarHBondContact O-N 2.92Å |
| 51 | Q | 88.2 | Confident | 92.4 | Very high | 95 Ų | 95 | 35.4 Ų | 35.4 | 44% | 0.444 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 133.1 | -177.8 | -174.2 | 168.4 | 64.3 | 0 | 0 | 112 | I48 D49 R53 T111 | I48-Q51 PolarHBondContact N-O 2.86Å; I48-Q51 PolarHBondContact O-N 2.82Å; D49-Q51 PolarHBondContact O-N 2.84Å; Q51-R53 PolarHBondContact O-N 3.16Å; Q51-R53 VanDerWaalsContact OE1-NH2 3.16Å; Q51-T111 HydrophobicContact CG-CG2 4.11Å; Q51-T111 VanDerWaalsContact OE1-CG2 3.24Å |
| 52 | E | 91.7 | Very high | 92.4 | Very high | 63 Ų | 63 | 34.8 Ų | 34.8 | 29% | 0.294 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 125.9 | 173.2 | -172.1 | -173 | -170.7 | 0 | 0 | 111.2 | T36 S45 | T36-E52 VanDerWaalsContact CB-OE1 3.32Å; T36-E52 WeakPolarHBondContact CB-OE1 3.48Å; T36-E52 PolarHBondContact OG1-OE1 2.99Å; T36-E52 PolarHBondContact OG1-OE2 3.08Å; S45-E52 WeakPolarHBondContact CB-OE1 3.47Å; S45-E52 WeakPolarHBondContact OG-CG 3.46Å; S45-E52 PolarHBondContact OG-OE1 2.9Å |
| 53 | R | 95.1 | Very high | 92.3 | Very high | 28 Ų | 28 | 33.1 Ų | 33.1 | 11% | 0.106 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 142 | 175.1 | -58.5 | -179 | -179.3 | -89.8 | -4.2 | 111 | S45 L46 Q51 M109 I110 T111 | S45-R53 CarbonylContact C-O 3.51Å; S45-R53 VanDerWaalsContact CA-O 3.24Å; S45-R53 WeakPolarHBondContact CA-O 3.27Å; L46-R53 PolarHBondContact N-O 2.92Å; L46-R53 PolarHBondContact O-N 3Å; Q51-R53 PolarHBondContact O-N 3.16Å; Q51-R53 VanDerWaalsContact OE1-NH2 3.16Å; R53-M109 HydrophobicContact CB-CB 3.87Å; R53-M109 HydrophobicContact CB-CE 4.38Å; R53-M109 VanDerWaalsContact O-CE 3.27Å; R53-M109 WeakPolarHBondContact O-CE 3.16Å; R53-I110 CarbonylContact C-O 3.55Å; R53-I110 WeakPolarHBondContact CA-O 3.25Å; R53-T111 HydrophobicContact CG-CG2 4.36Å |
| 54 | L | 95.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 151.4 | -176.2 | -65.2 | 71.5 | 0 | 0 | 0 | 110.7 | T36 L38 I43 L56 I59 M109 I110 K112 A115 | T36-L54 HydrophobicContact CG2-CD1 4.43Å; T36-L54 HydrophobicContact CG2-CD2 3.86Å; T36-L54 HydrophobicContact CG2-CG 4.38Å; L38-L54 HydrophobicContact CD2-CD2 4.05Å; I43-L54 HydrophobicContact CB-CD2 4.15Å; I43-L54 HydrophobicContact CG2-CB 3.95Å; I43-L54 HydrophobicContact CG2-CD2 3.96Å; I43-L54 HydrophobicContact CG2-CG 4.23Å; L54-L56 PolarHBondContact O-N 2.88Å; L54-I59 HydrophobicContact CB-CD1 3.9Å; L54-I59 HydrophobicContact CD2-CD1 4.26Å; L54-M109 WeakPolarHBondContact O-CA 3.48Å; L54-I110 PolarHBondContact N-O 2.88Å; L54-I110 PolarHBondContact O-N 2.81Å; L54-I110 VanDerWaalsContact O-N 3.13Å; L54-K112 HydrophobicContact CD1-CB 3.96Å; L54-A115 HydrophobicContact CD2-CB 4.24Å |
| 55 | C | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 110.8 | 175.4 | -178.1 | 0 | 0 | 0 | 0 | 112.1 | V44 A57 Q58 I59 C107 M109 | V44-C55 PolarHBondContact O-N 3.39Å; C55-A57 VanDerWaalsContact C-N 3.26Å; C55-A57 PolarHBondContact O-N 2.97Å; C55-Q58 HydrophobicContact CB-CB 3.8Å; C55-Q58 PolarHBondContact O-N 2.93Å; C55-Q58 PolarHBondContact SG-N 3.44Å; C55-I59 WeakPolarHBondContact O-CG1 3.44Å; C55-I59 PolarHBondContact O-N 3.48Å; C55-I59 VanDerWaalsContact O-N 3.09Å; C55-C107 PolarHBondContact SG-SG 3.1Å; C55-M109 HydrophobicContact CB-SD 4.39Å |
| 56 | L | 94.8 | Very high | 91.6 | Very high | 23 Ų | 23 | 46.3 Ų | 46.3 | 12% | 0.12 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.2 | -33 | 178.2 | 175.7 | 58.9 | 0 | 0 | 0 | 112.5 | L54 I59 S60 G108 I110 L118 | L54-L56 PolarHBondContact O-N 2.88Å; L56-I59 PolarHBondContact O-N 3.3Å; L56-S60 WeakPolarHBondContact O-CB 3.45Å; L56-S60 PolarHBondContact O-N 3.21Å; L56-G108 WeakPolarHBondContact CB-O 3.13Å; L56-G108 PolarHBondContact N-O 2.74Å; L56-I110 HydrophobicContact CD1-CD1 4.01Å; L56-I110 HydrophobicContact CD2-CG2 4.48Å; L56-L118 HydrophobicContact CD1-CD2 3.63Å |
| 57 | A | 93.4 | Very high | 91.3 | Very high | 28 Ų | 28 | 50 Ų | 50 | 23% | 0.231 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -73.4 | -37.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | C55 S60 N61 M100 | C55-A57 VanDerWaalsContact C-N 3.26Å; C55-A57 PolarHBondContact O-N 2.97Å; A57-S60 WeakPolarHBondContact O-CB 3.35Å; A57-S60 PolarHBondContact O-N 3.13Å; A57-N61 WeakPolarHBondContact O-CB 3.47Å; A57-N61 PolarHBondContact O-N 3.41Å; A57-N61 PolarHBondContact O-OD1 3.24Å; A57-M100 HydrophobicContact CB-CE 3.92Å; A57-M100 HydrophobicContact CB-SD 3.42Å; A57-M100 WeakPolarHBondContact CB-SD 3.41Å |
| 58 | Q | 94.3 | Very high | 91.1 | Very high | 32 Ų | 32 | 51.9 Ų | 51.9 | 15% | 0.15 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 170.5 | -168.8 | -178.4 | 5 | 0 | 0 | 111 | I43 C55 S60 N61 T62 | I43-Q58 HydrophobicContact CD1-CG 4.09Å; C55-Q58 HydrophobicContact CB-CB 3.8Å; C55-Q58 PolarHBondContact O-N 2.93Å; C55-Q58 PolarHBondContact SG-N 3.44Å; Q58-S60 VanDerWaalsContact C-N 3.32Å; Q58-S60 PolarHBondContact O-N 3.17Å; Q58-N61 PolarHBondContact O-N 3.16Å; Q58-T62 HydrophobicContact CG-CG2 4.44Å; Q58-T62 WeakPolarHBondContact O-CB 3.42Å; Q58-T62 WeakPolarHBondContact O-CG2 3.1Å; Q58-T62 PolarHBondContact O-N 3.5Å; Q58-T62 PolarHBondContact O-OG1 2.82Å |
| 59 | I | 94.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.4 | -42 | 174.1 | -65.3 | 161.8 | 0 | 0 | 0 | 111.2 | L38 I43 L54 C55 L56 N61 T62 L63 L64 I110 A115 | L38-I59 HydrophobicContact CD2-CD1 4.08Å; L38-I59 HydrophobicContact CD2-CG1 4.05Å; I43-I59 HydrophobicContact CD1-CG1 4.27Å; I43-I59 HydrophobicContact CG1-CG1 4.3Å; I43-I59 HydrophobicContact CG2-CD1 4.36Å; I43-I59 HydrophobicContact CG2-CG1 3.9Å; L54-I59 HydrophobicContact CB-CD1 3.9Å; L54-I59 HydrophobicContact CD2-CD1 4.26Å; C55-I59 WeakPolarHBondContact O-CG1 3.44Å; C55-I59 PolarHBondContact O-N 3.48Å; C55-I59 VanDerWaalsContact O-N 3.09Å; L56-I59 PolarHBondContact O-N 3.3Å; I59-N61 VanDerWaalsContact C-N 3.33Å; I59-N61 PolarHBondContact O-N 3.15Å; I59-T62 PolarHBondContact O-N 3.48Å; I59-L63 HydrophobicContact CG2-CD1 4.44Å; I59-L63 PolarHBondContact O-N 3.1Å; I59-L63 VanDerWaalsContact O-N 3.14Å; I59-L64 HydrophobicContact CG2-CD1 4.29Å; I59-L64 PolarHBondContact O-N 3.34Å; I59-I110 HydrophobicContact CD1-CD1 4.23Å; I59-I110 HydrophobicContact CD1-CG1 4.34Å; I59-A115 HydrophobicContact CD1-CB 3.71Å |
| 60 | S | 93 | Very high | 90.9 | Very high | 16 Ų | 16 | 57.9 Ų | 57.9 | 11% | 0.112 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.4 | -42.1 | 176 | -166.1 | 0 | 0 | 0 | 0 | 112.2 | L56 A57 Q58 L64 K65 I72 | L56-S60 WeakPolarHBondContact O-CB 3.45Å; L56-S60 PolarHBondContact O-N 3.21Å; A57-S60 WeakPolarHBondContact O-CB 3.35Å; A57-S60 PolarHBondContact O-N 3.13Å; Q58-S60 VanDerWaalsContact C-N 3.32Å; Q58-S60 PolarHBondContact O-N 3.17Å; S60-L64 CarbonylContact O-C 3.58Å; S60-K65 WeakPolarHBondContact O-CA 3.44Å; S60-K65 PolarHBondContact O-N 2.85Å; S60-K65 VanDerWaalsContact O-N 3.11Å; S60-I72 WeakPolarHBondContact OG-CD1 3.31Å |
| 61 | N | 90.9 | Very high | 91.1 | Very high | 109 Ų | 109 | 59.8 Ų | 59.8 | 58% | 0.583 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -86.4 | -14.2 | -174 | -64.2 | -6.9 | 0 | 0 | 0 | 113.7 | A57 Q58 I59 | A57-N61 WeakPolarHBondContact O-CB 3.47Å; A57-N61 PolarHBondContact O-N 3.41Å; A57-N61 PolarHBondContact O-OD1 3.24Å; Q58-N61 PolarHBondContact O-N 3.16Å; I59-N61 VanDerWaalsContact C-N 3.33Å; I59-N61 PolarHBondContact O-N 3.15Å |
| 62 | T | 92.6 | Very high | 91.1 | Very high | 48 Ų | 48 | 55.5 Ų | 55.5 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -106 | -75.2 | -179.2 | 52.2 | 0 | 0 | 0 | 0 | 111.4 | I43 Q58 I59 | I43-T62 WeakPolarHBondContact CD1-OG1 2.98Å; Q58-T62 HydrophobicContact CG-CG2 4.44Å; Q58-T62 WeakPolarHBondContact O-CB 3.42Å; Q58-T62 WeakPolarHBondContact O-CG2 3.1Å; Q58-T62 PolarHBondContact O-N 3.5Å; Q58-T62 PolarHBondContact O-OG1 2.82Å; I59-T62 PolarHBondContact O-N 3.48Å |
| 63 | L | 91.4 | Very high | 91 | Very high | 27 Ų | 27 | 56.3 Ų | 56.3 | 14% | 0.141 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -29 | -173.9 | -70.4 | 165.5 | 0 | 0 | 0 | 113.3 | L38 Y39 I41 I59 | L38-L63 HydrophobicContact CB-CD1 4.21Å; L38-L63 HydrophobicContact CD2-CD1 3.59Å; L38-L63 HydrophobicContact CG-CD1 3.69Å; Y39-L63 HydrophobicContact CD2-CD1 4.34Å; I41-L63 HydrophobicContact CB-CD2 4.35Å; I41-L63 HydrophobicContact CD1-CD2 3.62Å; I41-L63 HydrophobicContact CD1-CG 4.09Å; I41-L63 HydrophobicContact CG1-CD2 3.99Å; I59-L63 HydrophobicContact CG2-CD1 4.44Å; I59-L63 PolarHBondContact O-N 3.1Å; I59-L63 VanDerWaalsContact O-N 3.14Å |
| 64 | L | 90.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | 18.8 | -174.2 | -60.2 | 178.7 | 0 | 0 | 0 | 113.7 | I59 S60 N66 Y67 I72 L118 F122 | I59-L64 HydrophobicContact CG2-CD1 4.29Å; I59-L64 PolarHBondContact O-N 3.34Å; S60-L64 CarbonylContact O-C 3.58Å; L64-N66 PolarHBondContact O-N 3.34Å; L64-Y67 HydrophobicContact CB-CD2 4.14Å; L64-Y67 HydrophobicContact CD2-CD2 3.99Å; L64-Y67 HydrophobicContact CD2-CE2 4.08Å; L64-Y67 PolarHBondContact O-N 2.85Å; L64-I72 HydrophobicContact CB-CD1 3.76Å; L64-I72 HydrophobicContact CB-CG1 4.38Å; L64-I72 HydrophobicContact CD1-CD1 4.34Å; L64-I72 HydrophobicContact CD1-CG1 4.32Å; L64-I72 HydrophobicContact CD1-CG2 4.41Å; L64-L118 HydrophobicContact CD1-CD2 4.32Å; L64-L118 HydrophobicContact CD1-CG 4.15Å; L64-F122 HydrophobicContact CD1-CD2 3.78Å; L64-F122 HydrophobicContact CD1-CE2 4.04Å; L64-F122 HydrophobicContact CD2-CB 3.63Å; L64-F122 HydrophobicContact CD2-CD2 3.62Å; L64-F122 HydrophobicContact CD2-CG 3.83Å; L64-F122 HydrophobicContact CG-CD2 4.34Å |
| 65 | K | 90.3 | Very high | 90.1 | Very high | 153 Ų | 153 | 62.4 Ų | 62.4 | 67% | 0.665 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -20.9 | -173.7 | 72.7 | -177.3 | -175.7 | 175.5 | 0 | 115.5 | S60 | S60-K65 WeakPolarHBondContact O-CA 3.44Å; S60-K65 PolarHBondContact O-N 2.85Å; S60-K65 VanDerWaalsContact O-N 3.11Å |
| 66 | N | 87.1 | Confident | 89.9 | Confident | 138 Ų | 138 | 64 Ų | 64 | 74% | 0.738 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -4.9 | 179.3 | -64.5 | -1.5 | 0 | 0 | 0 | 113.5 | L64 | L64-N66 PolarHBondContact O-N 3.34Š|
| 67 | Y | 87.8 | Confident | 89.6 | Confident | 77 Ų | 77 | 66.8 Ų | 66.8 | 30% | 0.302 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -113.3 | 143.5 | -177.8 | -55.5 | -80 | 0 | 0 | 0 | 110.9 | L64 F122 | L64-Y67 HydrophobicContact CB-CD2 4.14Å; L64-Y67 HydrophobicContact CD2-CD2 3.99Å; L64-Y67 HydrophobicContact CD2-CE2 4.08Å; L64-Y67 PolarHBondContact O-N 2.85Å; Y67-F122 AromaticContact CD1-CD1 3.56Å; Y67-F122 HydrophobicContact CD1-CD1 3.56Å; Y67-F122 AromaticContact CD1-CE1 3.78Å; Y67-F122 HydrophobicContact CD1-CE1 3.78Å; Y67-F122 HydrophobicContact CD2-CB 4.28Å; Y67-F122 AromaticContact CD2-CD1 3.89Å; Y67-F122 HydrophobicContact CD2-CD1 3.89Å; Y67-F122 HydrophobicContact CD2-CE1 4.41Å; Y67-F122 HydrophobicContact CD2-CG 4.1Å; Y67-F122 HydrophobicContact CE1-CB 4.5Å; Y67-F122 AromaticContact CE1-CD1 3.58Å; Y67-F122 HydrophobicContact CE1-CD1 3.58Å; Y67-F122 HydrophobicContact CE1-CE1 4.24Å; Y67-F122 HydrophobicContact CE1-CG 4.43Å; Y67-F122 HydrophobicContact CE2-CB 3.72Å; Y67-F122 AromaticContact CE2-CD1 3.93Å; Y67-F122 HydrophobicContact CE2-CD1 3.93Å; Y67-F122 HydrophobicContact CE2-CG 4.01Å; Y67-F122 AromaticContact CG-CD1 3.71Å; Y67-F122 HydrophobicContact CG-CD1 3.71Å; Y67-F122 AromaticContact CG-CE1 3.87Å; Y67-F122 HydrophobicContact CG-CE1 3.87Å; Y67-F122 HydrophobicContact CG-CG 4.36Å; Y67-F122 AromaticContact CZ-CD1 3.77Å; Y67-F122 PolarHBondContact OH-O 2.98Å |
| 68 | S | 87.6 | Confident | 89 | Confident | 49 Ų | 49 | 66.2 Ų | 66.2 | 34% | 0.343 | 33% | 0.329 | S | S | . | . | trans | -69 | 151.1 | 177 | 71.2 | 0 | 0 | 0 | 0 | 111.6 | N70 E71 I72 | S68-N70 PolarHBondContact O-N 3.41Å; S68-N70 VanDerWaalsContact O-N 3.07Å; S68-E71 WeakPolarHBondContact CB-OE2 3.38Å; S68-E71 PolarHBondContact N-OE2 3.13Å; S68-E71 PolarHBondContact O-N 2.94Å; S68-E71 WeakPolarHBondContact OG-CG 3.38Å; S68-E71 PolarHBondContact OG-N 3.19Å; S68-E71 PolarHBondContact OG-OE2 3.31Å; S68-I72 WeakPolarHBondContact O-CG1 3.42Å; S68-I72 PolarHBondContact O-N 2.96Å | ||
| 69 | Y | 85.8 | Confident | 88.5 | Confident | 165 Ų | 165 | 66.7 Ų | 66.7 | 65% | 0.647 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -52.4 | -32.4 | 172.6 | 178.5 | -97.9 | 0 | 0 | 0 | 112.6 | H73 | Y69-H73 WeakPolarHBondContact O-CB 3.37Å; Y69-H73 PolarHBondContact O-N 3.26Å |
| 70 | N | 86.2 | Confident | 88.1 | Confident | 110 Ų | 110 | 69.6 Ų | 69.6 | 59% | 0.588 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -67.7 | -40.8 | 176.6 | -68.1 | -37.6 | 0 | 0 | 0 | 112.4 | S68 N74 | S68-N70 PolarHBondContact O-N 3.41Å; S68-N70 VanDerWaalsContact O-N 3.07Å; N70-N74 WeakPolarHBondContact O-CB 3.49Å; N70-N74 VanDerWaalsContact O-CG 3.25Å; N70-N74 PolarHBondContact O-N 2.99Å; N70-N74 PolarHBondContact O-ND2 2.94Å |
| 71 | E | 86.7 | Confident | 88 | Confident | 95 Ų | 95 | 69.1 Ų | 69.1 | 44% | 0.444 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.2 | -45.3 | 174.8 | -70.7 | 159.1 | 108.1 | 0 | 0 | 110.9 | S68 H73 N74 R75 F122 | S68-E71 WeakPolarHBondContact CB-OE2 3.38Å; S68-E71 PolarHBondContact N-OE2 3.13Å; S68-E71 PolarHBondContact O-N 2.94Å; S68-E71 WeakPolarHBondContact OG-CG 3.38Å; S68-E71 PolarHBondContact OG-N 3.19Å; S68-E71 PolarHBondContact OG-OE2 3.31Å; E71-H73 VanDerWaalsContact C-N 3.33Å; E71-H73 PolarHBondContact O-N 2.93Å; E71-N74 PolarHBondContact O-N 2.89Å; E71-R75 VanDerWaalsContact O-CB 3.25Å; E71-R75 WeakPolarHBondContact O-CB 3.35Å; E71-R75 PolarHBondContact O-N 2.9Å; E71-F122 HydrophobicContact CB-CE1 4.31Å; E71-F122 HydrophobicContact CB-CZ 4.42Å |
| 72 | I | 89.6 | Confident | 88 | Confident | 4 Ų | 4 | 68.1 Ų | 68.1 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 176.9 | -61.8 | 171.3 | 0 | 0 | 0 | 110.4 | S60 L64 S68 R76 L118 F122 | S60-I72 WeakPolarHBondContact OG-CD1 3.31Å; L64-I72 HydrophobicContact CB-CD1 3.76Å; L64-I72 HydrophobicContact CB-CG1 4.38Å; L64-I72 HydrophobicContact CD1-CD1 4.34Å; L64-I72 HydrophobicContact CD1-CG1 4.32Å; L64-I72 HydrophobicContact CD1-CG2 4.41Å; S68-I72 WeakPolarHBondContact O-CG1 3.42Å; S68-I72 PolarHBondContact O-N 2.96Å; I72-R76 WeakPolarHBondContact O-CB 3.32Å; I72-R76 PolarHBondContact O-N 2.89Å; I72-L118 HydrophobicContact CG2-CD2 4.26Å; I72-F122 HydrophobicContact CB-CE2 4.46Å; I72-F122 HydrophobicContact CB-CZ 4.43Å; I72-F122 HydrophobicContact CG1-CE2 4.05Å; I72-F122 HydrophobicContact CG1-CZ 3.98Å |
| 73 | H | 88.2 | Confident | 88 | Confident | 80 Ų | 80 | 67.4 Ų | 67.4 | 37% | 0.37 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.2 | -52.5 | 173.8 | -178.1 | 97.4 | 0 | 0 | 0 | 112.1 | Y69 E71 R75 R76 V77 | Y69-H73 WeakPolarHBondContact O-CB 3.37Å; Y69-H73 PolarHBondContact O-N 3.26Å; E71-H73 VanDerWaalsContact C-N 3.33Å; E71-H73 PolarHBondContact O-N 2.93Å; H73-R75 PolarHBondContact O-N 3.23Å; H73-R76 PolarHBondContact O-N 2.83Å; H73-V77 WeakPolarHBondContact O-CG2 3.18Å; H73-V77 PolarHBondContact O-N 2.98Å |
| 74 | N | 86.2 | Confident | 88.2 | Confident | 109 Ų | 109 | 68.2 Ų | 68.2 | 58% | 0.583 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -60.8 | -44.1 | -179.8 | -77.4 | -46.9 | 0 | 0 | 0 | 111.9 | N70 E71 V77 A78 | N70-N74 WeakPolarHBondContact O-CB 3.49Å; N70-N74 VanDerWaalsContact O-CG 3.25Å; N70-N74 PolarHBondContact O-N 2.99Å; N70-N74 PolarHBondContact O-ND2 2.94Å; E71-N74 PolarHBondContact O-N 2.89Å; N74-V77 PolarHBondContact O-N 2.86Å; N74-A78 WeakPolarHBondContact O-CB 3.3Å; N74-A78 PolarHBondContact O-N 3Å |
| 75 | R | 85.7 | Confident | 88.3 | Confident | 47 Ų | 47 | 73.1 Ų | 73.1 | 18% | 0.177 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.2 | -40.2 | 179.8 | -172.1 | 76.9 | -79.4 | 172.1 | 4 | 111.7 | E71 H73 A78 L79 L118 S121 F122 | E71-R75 VanDerWaalsContact O-CB 3.25Å; E71-R75 WeakPolarHBondContact O-CB 3.35Å; E71-R75 PolarHBondContact O-N 2.9Å; H73-R75 PolarHBondContact O-N 3.23Å; R75-A78 WeakPolarHBondContact O-CB 3.16Å; R75-A78 PolarHBondContact O-N 3Å; R75-L79 HydrophobicContact CG-CD1 4.44Å; R75-L79 VanDerWaalsContact O-CG 3.32Å; R75-L79 WeakPolarHBondContact O-CG 3.34Å; R75-L79 PolarHBondContact O-N 3.26Å; R75-L118 HydrophobicContact CB-CD1 4.3Å; R75-L118 HydrophobicContact CG-CD1 4.12Å; R75-S121 VanDerWaalsContact CD-OG 3.31Å; R75-S121 WeakPolarHBondContact CD-OG 3.34Å; R75-S121 WeakPolarHBondContact CG-OG 3.44Å; R75-F122 HydrophobicContact CB-CE1 4.29Å; R75-F122 HydrophobicContact CB-CE2 3.69Å; R75-F122 HydrophobicContact CB-CZ 3.43Å; R75-F122 VanDerWaalsContact CB-CZ 3.43Å; R75-F122 HydrophobicContact CG-CD2 4.2Å; R75-F122 HydrophobicContact CG-CE1 4.34Å; R75-F122 HydrophobicContact CG-CE2 3.62Å; R75-F122 HydrophobicContact CG-CZ 3.7Å |
| 76 | R | 92 | Very high | 88.4 | Confident | 33 Ų | 33 | 66.8 Ų | 66.8 | 13% | 0.125 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.6 | -49.8 | 175.1 | -173.4 | -164.5 | 92.3 | 95.4 | -4.1 | 112 | I72 H73 A78 L79 G80 I81 T82 C83 L118 | I72-R76 WeakPolarHBondContact O-CB 3.32Å; I72-R76 PolarHBondContact O-N 2.89Å; H73-R76 PolarHBondContact O-N 2.83Å; R76-A78 VanDerWaalsContact C-N 3.33Å; R76-A78 PolarHBondContact O-N 3.03Å; R76-L79 PolarHBondContact O-N 3.4Å; R76-G80 PolarHBondContact O-N 3.03Å; R76-I81 HydrophobicContact CG-CB 3.69Å; R76-I81 HydrophobicContact CG-CG2 3.6Å; R76-I81 PolarHBondContact NH1-O 2.87Å; R76-I81 PolarHBondContact O-N 2.83Å; R76-I81 VanDerWaalsContact O-N 3.11Å; R76-T82 PolarHBondContact NH1-O 3.01Å; R76-T82 VanDerWaalsContact NH1-O 3.08Å; R76-C83 VanDerWaalsContact CZ-SG 3.6Å; R76-C83 VanDerWaalsContact NH1-N 3.14Å; R76-C83 PolarHBondContact NH1-SG 2.86Å; R76-C83 PolarHBondContact NH2-SG 2.74Å; R76-L118 HydrophobicContact CB-CD1 4Å |
| 77 | V | 88.1 | Confident | 88.7 | Confident | 83 Ų | 83 | 63.4 Ų | 63.4 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 175 | 172 | 0 | 0 | 0 | 0 | 110.6 | H73 N74 L79 G80 | H73-V77 WeakPolarHBondContact O-CG2 3.18Å; H73-V77 PolarHBondContact O-N 2.98Å; N74-V77 PolarHBondContact O-N 2.86Å; V77-L79 PolarHBondContact O-N 2.63Å; V77-G80 PolarHBondContact O-N 2.97Å |
| 78 | A | 80.6 | Confident | 88.9 | Confident | 15 Ų | 15 | 65 Ų | 65 | 12% | 0.124 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.5 | -26 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | N74 R75 R76 G229 G230 | N74-A78 WeakPolarHBondContact O-CB 3.3Å; N74-A78 PolarHBondContact O-N 3Å; R75-A78 WeakPolarHBondContact O-CB 3.16Å; R75-A78 PolarHBondContact O-N 3Å; R76-A78 VanDerWaalsContact C-N 3.33Å; R76-A78 PolarHBondContact O-N 3.03Å; A78-G229 WeakPolarHBondContact CA-O 3.31Å; A78-G229 VanDerWaalsContact CB-O 3.24Å; A78-G229 WeakPolarHBondContact CB-O 3.29Å; A78-G230 WeakPolarHBondContact O-CA 3.29Å |
| 79 | L | 84.3 | Confident | 89.2 | Confident | 43 Ų | 43 | 67.4 Ų | 67.4 | 23% | 0.225 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -4.8 | 176.1 | -72.6 | 171.2 | 0 | 0 | 0 | 113.6 | R75 R76 V77 I81 L118 S121 | R75-L79 HydrophobicContact CG-CD1 4.44Å; R75-L79 VanDerWaalsContact O-CG 3.32Å; R75-L79 WeakPolarHBondContact O-CG 3.34Å; R75-L79 PolarHBondContact O-N 3.26Å; R76-L79 PolarHBondContact O-N 3.4Å; V77-L79 PolarHBondContact O-N 2.63Å; L79-I81 VanDerWaalsContact C-N 3.27Å; L79-I81 HydrophobicContact CB-CD1 3.74Å; L79-I81 HydrophobicContact CB-CG1 3.83Å; L79-I81 HydrophobicContact CD1-CD1 3.7Å; L79-I81 HydrophobicContact CG-CD1 4.41Å; L79-L118 HydrophobicContact CD1-CB 4.5Å; L79-L118 HydrophobicContact CD1-CD1 4.16Å; L79-S121 WeakPolarHBondContact CD1-OG 3.28Å |
| 80 | G | 85.7 | Confident | 89.5 | Confident | 60 Ų | 60 | 60.3 Ų | 60.3 | 62% | 0.619 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | 19.4 | -173 | 0 | 0 | 0 | 0 | 0 | 113.7 | R76 V77 T82 | R76-G80 PolarHBondContact O-N 3.03Å; V77-G80 PolarHBondContact O-N 2.97Å; G80-T82 PolarHBondContact O-N 3.18Å |
| 81 | I | 91.1 | Very high | 89.9 | Confident | 6 Ų | 6 | 55.5 Ų | 55.5 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | trans | -75.9 | 121.9 | -178.7 | -68.2 | 169.8 | 0 | 0 | 0 | 109 | R76 L79 I110 E114 L118 | R76-I81 HydrophobicContact CG-CB 3.69Å; R76-I81 HydrophobicContact CG-CG2 3.6Å; R76-I81 PolarHBondContact NH1-O 2.87Å; R76-I81 PolarHBondContact O-N 2.83Å; R76-I81 VanDerWaalsContact O-N 3.11Å; L79-I81 VanDerWaalsContact C-N 3.27Å; L79-I81 HydrophobicContact CB-CD1 3.74Å; L79-I81 HydrophobicContact CB-CG1 3.83Å; L79-I81 HydrophobicContact CD1-CD1 3.7Å; L79-I81 HydrophobicContact CG-CD1 4.41Å; I81-I110 HydrophobicContact CG2-CB 4.45Å; I81-I110 HydrophobicContact CG2-CG2 3.94Å; I81-E114 HydrophobicContact CB-CG 4.49Å; I81-E114 HydrophobicContact CD1-CB 4.22Å; I81-E114 VanDerWaalsContact CD1-O 3.3Å; I81-E114 WeakPolarHBondContact CD1-O 3.11Å; I81-E114 HydrophobicContact CG1-CB 4.04Å; I81-E114 HydrophobicContact CG1-CG 4.07Å; I81-E114 HydrophobicContact CG2-CB 3.84Å; I81-E114 HydrophobicContact CG2-CG 4.08Å; I81-L118 HydrophobicContact CD1-CB 3.88Å; I81-L118 HydrophobicContact CD1-CD1 4.46Å | ||
| 82 | T | 91.2 | Very high | 90.2 | Very high | 88 Ų | 88 | 53.8 Ų | 53.8 | 54% | 0.54 | 31% | 0.312 | S | S | . | . | trans | -86.6 | 168.4 | 173.7 | 66.5 | 0 | 0 | 0 | 0 | 109.6 | R76 G80 I110 E114 | R76-T82 PolarHBondContact NH1-O 3.01Å; R76-T82 VanDerWaalsContact NH1-O 3.08Å; G80-T82 PolarHBondContact O-N 3.18Å; T82-I110 WeakPolarHBondContact O-CG2 3.4Å; T82-E114 PolarHBondContact N-OE1 2.75Å | ||
| 83 | C | 92.6 | Very high | 90.4 | Very high | 34 Ų | 34 | 55.6 Ų | 55.6 | 23% | 0.23 | 32% | 0.322 | C | S | . | . | trans | -139.8 | 130.3 | 167.1 | 57.1 | 0 | 0 | 0 | 0 | 109.3 | R76 M109 I110 | R76-C83 VanDerWaalsContact CZ-SG 3.6Å; R76-C83 VanDerWaalsContact NH1-N 3.14Å; R76-C83 PolarHBondContact NH1-SG 2.86Å; R76-C83 PolarHBondContact NH2-SG 2.74Å; C83-M109 WeakPolarHBondContact CA-O 3.38Å; C83-I110 HydrophobicContact CB-CG2 3.98Å | ||
| 84 | V | 93.8 | Very high | 90.6 | Very high | 44 Ų | 44 | 51.8 Ų | 51.8 | 27% | 0.267 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 130.6 | 165.3 | 177.5 | 0 | 0 | 0 | 0 | 106.8 | I48 M109 | I48-V84 HydrophobicContact CG2-CG1 4.43Å; V84-M109 PolarHBondContact N-O 3.48Å; V84-M109 PolarHBondContact O-N 3.21Å |
| 85 | Q | 94.1 | Very high | 91 | Very high | 102 Ų | 102 | 49.8 Ų | 49.8 | 48% | 0.477 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 135.5 | 171.4 | -67.3 | -65.7 | -66 | 0 | 0 | 108.5 | T87 | Q85-T87 PolarHBondContact O-N 3.39Å |
| 86 | C | 92.1 | Very high | 91.4 | Very high | 21 Ų | 21 | 56.7 Ų | 56.7 | 14% | 0.142 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 138.5 | 173.6 | -66.4 | 0 | 0 | 0 | 0 | 110.7 | Q90 L91 L94 C107 M109 | C86-Q90 HydrophobicContact CB-CB 4.01Å; C86-L91 HydrophobicContact CB-CB 4.13Å; C86-L94 VanDerWaalsContact SG-CD1 3.58Å; C86-C107 HydrophobicContact CB-CB 4.23Å; C86-C107 PolarHBondContact N-O 3.16Å; C86-C107 VanDerWaalsContact SG-CB 3.58Å; C86-M109 WeakPolarHBondContact SG-CG 3.32Å; C86-M109 VanDerWaalsContact SG-SD 3.65Å |
| 87 | T | 94.2 | Very high | 91.3 | Very high | 66 Ų | 66 | 57 Ų | 57 | 41% | 0.405 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 161.2 | 160.1 | 73.3 | 0 | 0 | 0 | 0 | 109.9 | Q85 V89 Q90 L91 | Q85-T87 PolarHBondContact O-N 3.39Å; T87-V89 PolarHBondContact O-N 3.26Å; T87-Q90 PolarHBondContact O-N 2.62Å; T87-Q90 VanDerWaalsContact O-N 3.1Å; T87-Q90 VanDerWaalsContact OG1-CG 3.29Å; T87-Q90 WeakPolarHBondContact OG1-CG 3.46Å; T87-Q90 PolarHBondContact OG1-N 3.18Å; T87-L91 PolarHBondContact O-N 2.85Å |
| 88 | P | 92.1 | Very high | 91.3 | Very high | 112 Ų | 112 | 56.1 Ų | 56.1 | 73% | 0.727 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -56.2 | -35.7 | 177.8 | -27.4 | 36.3 | 0 | 0 | 0 | 113.4 | L91 E92 | P88-L91 PolarHBondContact O-N 2.64Å; P88-E92 WeakPolarHBondContact O-CB 3.45Å; P88-E92 PolarHBondContact O-N 2.69Å |
| 89 | V | 92.8 | Very high | 91.7 | Very high | 99 Ų | 99 | 55.8 Ų | 55.8 | 60% | 0.6 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -66.6 | -44.6 | 176.4 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | T87 E92 I93 | T87-V89 PolarHBondContact O-N 3.26Å; V89-E92 PolarHBondContact O-N 2.96Å; V89-I93 HydrophobicContact CG1-CD1 4.11Å; V89-I93 VanDerWaalsContact O-CG1 3.31Å; V89-I93 WeakPolarHBondContact O-CG1 3.27Å; V89-I93 PolarHBondContact O-N 2.94Å |
| 90 | Q | 92.9 | Very high | 92.1 | Very high | 15 Ų | 15 | 54.2 Ų | 54.2 | 7% | 0.07 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.2 | -38.8 | 177.3 | -67.5 | 170.6 | -18.4 | 0 | 0 | 112 | N31 L46 C86 T87 E92 I93 L94 | N31-Q90 VanDerWaalsContact OD1-CG 3.25Å; N31-Q90 WeakPolarHBondContact OD1-CG 3.49Å; N31-Q90 PolarHBondContact OD1-NE2 2.91Å; L46-Q90 HydrophobicContact CD2-CB 3.66Å; L46-Q90 HydrophobicContact CD2-CG 3.66Å; C86-Q90 HydrophobicContact CB-CB 4.01Å; T87-Q90 PolarHBondContact O-N 2.62Å; T87-Q90 VanDerWaalsContact O-N 3.1Å; T87-Q90 VanDerWaalsContact OG1-CG 3.29Å; T87-Q90 WeakPolarHBondContact OG1-CG 3.46Å; T87-Q90 PolarHBondContact OG1-N 3.18Å; Q90-E92 VanDerWaalsContact C-N 3.35Å; Q90-I93 PolarHBondContact O-N 2.96Å; Q90-L94 WeakPolarHBondContact O-CG 3.47Å; Q90-L94 PolarHBondContact O-N 2.84Å |
| 91 | L | 93.7 | Very high | 92.2 | Very high | 10 Ų | 10 | 54.5 Ų | 54.5 | 5% | 0.052 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 174.7 | -179.5 | 63.1 | 0 | 0 | 0 | 111.6 | C86 T87 P88 L94 R95 M100 C107 | C86-L91 HydrophobicContact CB-CB 4.13Å; T87-L91 PolarHBondContact O-N 2.85Å; P88-L91 PolarHBondContact O-N 2.64Å; L91-L94 PolarHBondContact O-N 2.58Å; L91-R95 WeakPolarHBondContact O-CG 3.34Å; L91-R95 PolarHBondContact O-N 2.88Å; L91-M100 HydrophobicContact CD1-CE 4.48Å; L91-C107 HydrophobicContact CD1-CB 3.7Å |
| 92 | E | 93.2 | Very high | 92.1 | Very high | 59 Ų | 59 | 61.1 Ų | 61.1 | 28% | 0.276 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.3 | -37.5 | 177 | -174.3 | 61.9 | -166.8 | 0 | 0 | 112.4 | P88 V89 Q90 R95 R96 | P88-E92 WeakPolarHBondContact O-CB 3.45Å; P88-E92 PolarHBondContact O-N 2.69Å; V89-E92 PolarHBondContact O-N 2.96Å; Q90-E92 VanDerWaalsContact C-N 3.35Å; E92-R95 PolarHBondContact O-N 2.92Å; E92-R95 WeakPolarHBondContact OE2-CD 3.49Å; E92-R95 IonicContact OE2-CZ 3.74Å; E92-R95 IonicContact OE2-NE 2.69Å; E92-R95 IonicContact OE2-NH1 2.73Å; E92-R95 PolarHBondContact OE2-NH1 3.11Å; E92-R96 VanDerWaalsContact CG-NH2 3.29Å; E92-R96 WeakPolarHBondContact O-CG 3.39Å; E92-R96 PolarHBondContact O-N 3.45Å; E92-R96 VanDerWaalsContact O-N 3.14Å; E92-R96 IonicContact OE1-CZ 3.68Å; E92-R96 IonicContact OE1-NE 3.33Å; E92-R96 PolarHBondContact OE1-NE 3.24Å; E92-R96 IonicContact OE1-NH2 3.99Å; E92-R96 PolarHBondContact OE1-NH2 3.36Å |
| 93 | I | 93.7 | Very high | 92.2 | Very high | 42 Ų | 42 | 61.6 Ų | 61.6 | 22% | 0.215 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 170.9 | -69.9 | 165.4 | 0 | 0 | 0 | 110.7 | N31 V33 L46 V89 Q90 R95 R96 A97 | N31-I93 HydrophobicContact CB-CD1 4.22Å; V33-I93 HydrophobicContact CG2-CG2 3.23Å; L46-I93 HydrophobicContact CD1-CG2 3.95Å; V89-I93 HydrophobicContact CG1-CD1 4.11Å; V89-I93 VanDerWaalsContact O-CG1 3.31Å; V89-I93 WeakPolarHBondContact O-CG1 3.27Å; V89-I93 PolarHBondContact O-N 2.94Å; Q90-I93 PolarHBondContact O-N 2.96Å; I93-R95 VanDerWaalsContact C-N 3.3Å; I93-R95 PolarHBondContact O-N 3.12Å; I93-R96 PolarHBondContact O-N 3.47Å; I93-A97 PolarHBondContact O-N 2.92Å |
| 94 | L | 92.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.4 | -30.5 | 177.4 | -72.3 | 171.5 | 0 | 0 | 0 | 113.6 | V44 C86 Q90 L91 G98 A99 M100 C107 M109 | V44-L94 HydrophobicContact CG1-CD2 3.94Å; C86-L94 VanDerWaalsContact SG-CD1 3.58Å; Q90-L94 WeakPolarHBondContact O-CG 3.47Å; Q90-L94 PolarHBondContact O-N 2.84Å; L91-L94 PolarHBondContact O-N 2.58Å; L94-G98 PolarHBondContact O-N 3.19Å; L94-A99 HydrophobicContact CB-CB 4.38Å; L94-A99 HydrophobicContact CD2-CB 4.05Å; L94-A99 WeakPolarHBondContact O-CB 3.41Å; L94-A99 PolarHBondContact O-N 3.36Å; L94-M100 HydrophobicContact CB-CB 4.42Å; L94-M100 HydrophobicContact CB-CG 4.27Å; L94-M100 PolarHBondContact O-N 3.22Å; L94-C107 HydrophobicContact CD1-CB 4.45Å; L94-M109 HydrophobicContact CD1-CE 4.11Å; L94-M109 HydrophobicContact CD1-SD 3.76Å; L94-M109 HydrophobicContact CD2-CE 4.41Å |
| 95 | R | 94.1 | Very high | 92 | Very high | 66 Ų | 66 | 70 Ų | 70 | 25% | 0.249 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.3 | -45.3 | 171.3 | -70.9 | 168.6 | -177.6 | 154.5 | -3 | 111.7 | L91 E92 I93 A97 G98 M100 I102 S104 | L91-R95 WeakPolarHBondContact O-CG 3.34Å; L91-R95 PolarHBondContact O-N 2.88Å; E92-R95 PolarHBondContact O-N 2.92Å; E92-R95 WeakPolarHBondContact OE2-CD 3.49Å; E92-R95 IonicContact OE2-CZ 3.74Å; E92-R95 IonicContact OE2-NE 2.69Å; E92-R95 IonicContact OE2-NH1 2.73Å; E92-R95 PolarHBondContact OE2-NH1 3.11Å; I93-R95 VanDerWaalsContact C-N 3.3Å; I93-R95 PolarHBondContact O-N 3.12Å; R95-A97 VanDerWaalsContact C-N 3.28Å; R95-A97 PolarHBondContact O-N 3.28Å; R95-G98 PolarHBondContact O-N 3.36Å; R95-M100 WeakPolarHBondContact CA-O 3.16Å; R95-M100 HydrophobicContact CG-CB 4.41Å; R95-I102 PolarHBondContact NE-O 3.45Å; R95-I102 PolarHBondContact NH2-O 3.48Å; R95-S104 PolarHBondContact NH2-O 2.66Å |
| 96 | R | 93.9 | Very high | 91.9 | Very high | 193 Ų | 193 | 74.7 Ų | 74.7 | 73% | 0.728 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -67.6 | -28.8 | 178.8 | -67.6 | 173.7 | -166.6 | 167.5 | 3.7 | 112.7 | E92 I93 G98 | E92-R96 VanDerWaalsContact CG-NH2 3.29Å; E92-R96 WeakPolarHBondContact O-CG 3.39Å; E92-R96 PolarHBondContact O-N 3.45Å; E92-R96 VanDerWaalsContact O-N 3.14Å; E92-R96 IonicContact OE1-CZ 3.68Å; E92-R96 IonicContact OE1-NE 3.33Å; E92-R96 PolarHBondContact OE1-NE 3.24Å; E92-R96 IonicContact OE1-NH2 3.99Å; E92-R96 PolarHBondContact OE1-NH2 3.36Å; I93-R96 PolarHBondContact O-N 3.47Å; R96-G98 PolarHBondContact O-N 3.24Å |
| 97 | A | 90.9 | Very high | 91.9 | Very high | 39 Ų | 39 | 74 Ų | 74 | 32% | 0.322 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 7.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V33 V44 I93 R95 A99 | V33-A97 HydrophobicContact CG1-CB 4.27Å; V44-A97 HydrophobicContact CG1-CB 3.96Å; I93-A97 PolarHBondContact O-N 2.92Å; R95-A97 VanDerWaalsContact C-N 3.28Å; R95-A97 PolarHBondContact O-N 3.28Å; A97-A99 PolarHBondContact O-N 3.26Å |
| 98 | G | 88.6 | Confident | 91.9 | Very high | 65 Ų | 65 | 71.3 Ų | 71.3 | 67% | 0.67 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | -4.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | L94 R95 R96 M100 | L94-G98 PolarHBondContact O-N 3.19Å; R95-G98 PolarHBondContact O-N 3.36Å; R96-G98 PolarHBondContact O-N 3.24Å; G98-M100 VanDerWaalsContact C-N 3.27Å; G98-M100 PolarHBondContact O-N 3.26Å |
| 99 | A | 88.5 | Confident | 92 | Very high | 7 Ų | 7 | 66 Ų | 66 | 6% | 0.058 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -68.6 | -23.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V44 L94 A97 | V44-A99 HydrophobicContact CB-CB 3.72Å; V44-A99 HydrophobicContact CG1-CB 4.15Å; V44-A99 HydrophobicContact CG2-CB 3.88Å; L94-A99 HydrophobicContact CB-CB 4.38Å; L94-A99 HydrophobicContact CD2-CB 4.05Å; L94-A99 WeakPolarHBondContact O-CB 3.41Å; L94-A99 PolarHBondContact O-N 3.36Å; A97-A99 PolarHBondContact O-N 3.26Å |
| 100 | M | 91.8 | Very high | 92.1 | Very high | 10 Ų | 10 | 61.2 Ų | 61.2 | 5% | 0.049 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -138.9 | 133.3 | -176.6 | -77 | -62.9 | -80.9 | 0 | 0 | 111.8 | A57 L91 L94 R95 G98 S104 R106 C107 | A57-M100 HydrophobicContact CB-CE 3.92Å; A57-M100 HydrophobicContact CB-SD 3.42Å; A57-M100 WeakPolarHBondContact CB-SD 3.41Å; L91-M100 HydrophobicContact CD1-CE 4.48Å; L94-M100 HydrophobicContact CB-CB 4.42Å; L94-M100 HydrophobicContact CB-CG 4.27Å; L94-M100 PolarHBondContact O-N 3.22Å; R95-M100 WeakPolarHBondContact CA-O 3.16Å; R95-M100 HydrophobicContact CG-CB 4.41Å; G98-M100 VanDerWaalsContact C-N 3.27Å; G98-M100 PolarHBondContact O-N 3.26Å; M100-S104 WeakPolarHBondContact CE-OG 3.18Å; M100-R106 WeakPolarHBondContact CE-O 3.29Å; M100-C107 HydrophobicContact CE-CB 3.99Å |
| 101 | P | 88.9 | Confident | 92.2 | Very high | 66 Ų | 66 | 61.5 Ų | 61.5 | 43% | 0.429 | 31% | 0.313 | S | S | . | . | trans | -70.7 | 148.6 | 176.7 | 29.2 | -33 | 0 | 0 | 0 | 111.1 | S103 S104 | P101-S103 PolarHBondContact O-N 3.07Å; P101-S103 VanDerWaalsContact O-N 3.12Å; P101-S104 WeakPolarHBondContact O-CB 3.36Å; P101-S104 PolarHBondContact O-N 3.18Å | ||
| 102 | I | 89.5 | Confident | 92.1 | Very high | 145 Ų | 145 | 64.8 Ų | 64.8 | 74% | 0.744 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -37.5 | -174.4 | -58.6 | 170.7 | 0 | 0 | 0 | 112.1 | R95 S104 | R95-I102 PolarHBondContact NE-O 3.45Å; R95-I102 PolarHBondContact NH2-O 3.48Å; I102-S104 PolarHBondContact O-N 3.03Å |
| 103 | S | 92.3 | Very high | 92.1 | Very high | 99 Ų | 99 | 71 Ų | 71 | 69% | 0.692 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -21.3 | 177.3 | 55.7 | 0 | 0 | 0 | 0 | 115 | P101 R105 | P101-S103 PolarHBondContact O-N 3.07Å; P101-S103 VanDerWaalsContact O-N 3.12Å; S103-R105 PolarHBondContact O-N 2.93Å |
| 104 | S | 90.7 | Very high | 92.1 | Very high | 32 Ų | 32 | 70.2 Ų | 70.2 | 22% | 0.224 | 34% | 0.343 | C | S | . | . | trans | -71.8 | 126.1 | -178.5 | -71.6 | 0 | 0 | 0 | 0 | 112.1 | R95 M100 P101 I102 | R95-S104 PolarHBondContact NH2-O 2.66Å; M100-S104 WeakPolarHBondContact CE-OG 3.18Å; P101-S104 WeakPolarHBondContact O-CB 3.36Å; P101-S104 PolarHBondContact O-N 3.18Å; I102-S104 PolarHBondContact O-N 3.03Å | ||
| 105 | R | 91.6 | Very high | 92.2 | Very high | 223 Ų | 223 | 70.2 Ų | 70.2 | 84% | 0.842 | 34% | 0.343 | S | S | * | . | trans | -98 | -9.4 | -178.6 | -59.7 | -172.2 | -177.9 | -141.9 | 1.3 | 114.7 | S103 | S103-R105 PolarHBondContact O-N 2.93Š| ||
| 106 | R | 92.1 | Very high | 92.1 | Very high | 200 Ų | 200 | 70.6 Ų | 70.6 | 76% | 0.755 | 35% | 0.347 | S | S | * | . | trans | -146.6 | 149.9 | -179.1 | -60.5 | -173.5 | -174.8 | -79.3 | -0.1 | 110 | M100 | M100-R106 WeakPolarHBondContact CE-O 3.29Š| ||
| 107 | C | 92.3 | Very high | 92 | Very high | 5 Ų | 5 | 67.7 Ų | 67.7 | 3% | 0.034 | 34% | 0.336 | C | S | . | . | trans | -145.1 | 136.6 | 172.8 | 178 | 0 | 0 | 0 | 0 | 109.4 | C55 C86 L91 L94 M100 | C55-C107 PolarHBondContact SG-SG 3.1Å; C86-C107 HydrophobicContact CB-CB 4.23Å; C86-C107 PolarHBondContact N-O 3.16Å; C86-C107 VanDerWaalsContact SG-CB 3.58Å; L91-C107 HydrophobicContact CD1-CB 3.7Å; L94-C107 HydrophobicContact CD1-CB 4.45Å; M100-C107 HydrophobicContact CE-CB 3.99Å | ||
| 108 | G | 93.8 | Very high | 92 | Very high | 10 Ų | 10 | 65.8 Ų | 65.8 | 10% | 0.103 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 137.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L56 | L56-G108 WeakPolarHBondContact CB-O 3.13Å; L56-G108 PolarHBondContact N-O 2.74Å |
| 109 | M | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 130.4 | -178.5 | -59.7 | -60.9 | -83.3 | 0 | 0 | 110.3 | L46 I48 R53 L54 C55 C83 V84 C86 L94 | L46-M109 HydrophobicContact CB-CE 3.68Å; I48-M109 HydrophobicContact CD1-CB 4.24Å; I48-M109 HydrophobicContact CD1-CE 4.5Å; I48-M109 HydrophobicContact CD1-CG 4.01Å; R53-M109 HydrophobicContact CB-CB 3.87Å; R53-M109 HydrophobicContact CB-CE 4.38Å; R53-M109 VanDerWaalsContact O-CE 3.27Å; R53-M109 WeakPolarHBondContact O-CE 3.16Å; L54-M109 WeakPolarHBondContact O-CA 3.48Å; C55-M109 HydrophobicContact CB-SD 4.39Å; C83-M109 WeakPolarHBondContact CA-O 3.38Å; V84-M109 PolarHBondContact N-O 3.48Å; V84-M109 PolarHBondContact O-N 3.21Å; C86-M109 WeakPolarHBondContact SG-CG 3.32Å; C86-M109 VanDerWaalsContact SG-SD 3.65Å; L94-M109 HydrophobicContact CD1-CE 4.11Å; L94-M109 HydrophobicContact CD1-SD 3.76Å; L94-M109 HydrophobicContact CD2-CE 4.41Å |
| 110 | I | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 150.8 | -179.1 | 64.6 | 168.8 | 0 | 0 | 0 | 110.8 | R53 L54 L56 I59 I81 T82 C83 E114 A115 L118 | R53-I110 CarbonylContact C-O 3.55Å; R53-I110 WeakPolarHBondContact CA-O 3.25Å; L54-I110 PolarHBondContact N-O 2.88Å; L54-I110 PolarHBondContact O-N 2.81Å; L54-I110 VanDerWaalsContact O-N 3.13Å; L56-I110 HydrophobicContact CD1-CD1 4.01Å; L56-I110 HydrophobicContact CD2-CG2 4.48Å; I59-I110 HydrophobicContact CD1-CD1 4.23Å; I59-I110 HydrophobicContact CD1-CG1 4.34Å; I81-I110 HydrophobicContact CG2-CB 4.45Å; I81-I110 HydrophobicContact CG2-CG2 3.94Å; T82-I110 WeakPolarHBondContact O-CG2 3.4Å; C83-I110 HydrophobicContact CB-CG2 3.98Å; I110-E114 HydrophobicContact CB-CB 4.11Å; I110-E114 HydrophobicContact CD1-CB 4.39Å; I110-A115 HydrophobicContact CD1-CB 3.78Å; I110-A115 HydrophobicContact CG1-CB 4.21Å; I110-L118 HydrophobicContact CD1-CD2 4.33Å |
| 111 | T | 94.6 | Very high | 91.8 | Very high | 20 Ų | 20 | 70.3 Ų | 70.3 | 12% | 0.123 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 160 | 178.5 | 61.5 | 0 | 0 | 0 | 0 | 111.8 | Q51 R53 R113 E114 A115 | Q51-T111 HydrophobicContact CG-CG2 4.11Å; Q51-T111 VanDerWaalsContact OE1-CG2 3.24Å; R53-T111 HydrophobicContact CG-CG2 4.36Å; T111-R113 VanDerWaalsContact C-N 3.28Å; T111-R113 PolarHBondContact O-N 3.45Å; T111-E114 WeakPolarHBondContact CB-OE2 3.21Å; T111-E114 WeakPolarHBondContact CG2-OE2 3.49Å; T111-E114 PolarHBondContact N-OE2 3.18Å; T111-E114 WeakPolarHBondContact O-CB 3.18Å; T111-E114 PolarHBondContact O-N 3.45Å; T111-E114 VanDerWaalsContact OG1-CG 3.28Å; T111-E114 WeakPolarHBondContact OG1-CG 3.02Å; T111-E114 PolarHBondContact OG1-N 3.3Å; T111-E114 PolarHBondContact OG1-OE2 3.14Å; T111-A115 PolarHBondContact O-N 2.99Å |
| 112 | K | 92.3 | Very high | 91.7 | Very high | 80 Ų | 80 | 68.6 Ų | 68.6 | 35% | 0.348 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -52.1 | -45.7 | 177.3 | -171.9 | 176.2 | -174.6 | 162.8 | 0 | 112.6 | T36 L54 E114 A115 E116 | T36-K112 HydrophobicContact CG2-CD 3.75Å; T36-K112 HydrophobicContact CG2-CG 4.07Å; L54-K112 HydrophobicContact CD1-CB 3.96Å; K112-E114 VanDerWaalsContact C-N 3.31Å; K112-E114 PolarHBondContact O-N 2.66Å; K112-A115 WeakPolarHBondContact O-CB 3.44Å; K112-A115 PolarHBondContact O-N 3.49Å; K112-A115 VanDerWaalsContact O-N 3.14Å; K112-E116 VanDerWaalsContact CE-OE1 3.32Å; K112-E116 WeakPolarHBondContact CE-OE1 3.42Å; K112-E116 HydrophobicContact CG-CG 4.49Å; K112-E116 WeakPolarHBondContact CG-OE1 3.13Å; K112-E116 WeakPolarHBondContact O-CG 3.24Å; K112-E116 PolarHBondContact O-N 3.02Å |
| 113 | R | 92.3 | Very high | 91.3 | Very high | 189 Ų | 189 | 66.2 Ų | 66.2 | 71% | 0.713 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -62 | -34.7 | 177.2 | -174.8 | -178.6 | -66.9 | -153.8 | 0.5 | 113 | T111 R117 | T111-R113 VanDerWaalsContact C-N 3.28Å; T111-R113 PolarHBondContact O-N 3.45Å; R113-R117 WeakPolarHBondContact O-CB 3.49Å; R113-R117 WeakPolarHBondContact O-CD 3.39Å; R113-R117 WeakPolarHBondContact O-CG 3.25Å; R113-R117 PolarHBondContact O-N 3.24Å |
| 114 | E | 94.4 | Very high | 90.2 | Very high | 25 Ų | 25 | 63 Ų | 63 | 12% | 0.117 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -72.3 | -40.8 | 174.2 | -71.3 | 169.7 | 118.2 | 0 | 0 | 111.1 | I81 T82 I110 T111 K112 R117 L118 | I81-E114 HydrophobicContact CB-CG 4.49Å; I81-E114 HydrophobicContact CD1-CB 4.22Å; I81-E114 VanDerWaalsContact CD1-O 3.3Å; I81-E114 WeakPolarHBondContact CD1-O 3.11Å; I81-E114 HydrophobicContact CG1-CB 4.04Å; I81-E114 HydrophobicContact CG1-CG 4.07Å; I81-E114 HydrophobicContact CG2-CB 3.84Å; I81-E114 HydrophobicContact CG2-CG 4.08Å; T82-E114 PolarHBondContact N-OE1 2.75Å; I110-E114 HydrophobicContact CB-CB 4.11Å; I110-E114 HydrophobicContact CD1-CB 4.39Å; T111-E114 WeakPolarHBondContact CB-OE2 3.21Å; T111-E114 WeakPolarHBondContact CG2-OE2 3.49Å; T111-E114 PolarHBondContact N-OE2 3.18Å; T111-E114 WeakPolarHBondContact O-CB 3.18Å; T111-E114 PolarHBondContact O-N 3.45Å; T111-E114 VanDerWaalsContact OG1-CG 3.28Å; T111-E114 WeakPolarHBondContact OG1-CG 3.02Å; T111-E114 PolarHBondContact OG1-N 3.3Å; T111-E114 PolarHBondContact OG1-OE2 3.14Å; K112-E114 VanDerWaalsContact C-N 3.31Å; K112-E114 PolarHBondContact O-N 2.66Å; E114-R117 PolarHBondContact O-N 2.88Å; E114-L118 WeakPolarHBondContact O-CB 3.11Å; E114-L118 PolarHBondContact O-N 3.02Å |
| 115 | A | 94.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L38 L54 I59 I110 T111 K112 R117 L118 C119 | L38-A115 HydrophobicContact CD1-CB 4.43Å; L38-A115 HydrophobicContact CD2-CB 3.71Å; L54-A115 HydrophobicContact CD2-CB 4.24Å; I59-A115 HydrophobicContact CD1-CB 3.71Å; I110-A115 HydrophobicContact CD1-CB 3.78Å; I110-A115 HydrophobicContact CG1-CB 4.21Å; T111-A115 PolarHBondContact O-N 2.99Å; K112-A115 WeakPolarHBondContact O-CB 3.44Å; K112-A115 PolarHBondContact O-N 3.49Å; K112-A115 VanDerWaalsContact O-N 3.14Å; A115-R117 PolarHBondContact O-N 3.45Å; A115-L118 PolarHBondContact O-N 2.97Å; A115-C119 WeakPolarHBondContact O-CB 3.48Å; A115-C119 PolarHBondContact O-N 3.44Å; A115-C119 PolarHBondContact O-SG 2.81Å |
| 116 | E | 91.8 | Very high | 86.4 | Confident | 74 Ų | 74 | 60.3 Ų | 60.3 | 35% | 0.346 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.2 | -47.9 | 172.9 | -71.5 | 165.5 | 176.3 | 0 | 0 | 111.5 | L38 Y39 K112 L118 C119 K120 | L38-E116 HydrophobicContact CD1-CG 3.63Å; Y39-E116 PolarHBondContact OH-O 3.36Å; K112-E116 VanDerWaalsContact CE-OE1 3.32Å; K112-E116 WeakPolarHBondContact CE-OE1 3.42Å; K112-E116 HydrophobicContact CG-CG 4.49Å; K112-E116 WeakPolarHBondContact CG-OE1 3.13Å; K112-E116 WeakPolarHBondContact O-CG 3.24Å; K112-E116 PolarHBondContact O-N 3.02Å; E116-L118 PolarHBondContact O-N 3.24Å; E116-C119 PolarHBondContact O-N 3.26Å; E116-K120 WeakPolarHBondContact O-CB 3.29Å; E116-K120 PolarHBondContact O-N 2.96Å |
| 117 | R | 91.5 | Very high | 84.3 | Confident | 132 Ų | 132 | 54.5 Ų | 54.5 | 50% | 0.498 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.3 | -37.6 | 178.7 | -72.8 | 174 | 71.3 | -156.3 | -1.5 | 112.6 | R113 E114 A115 S121 | R113-R117 WeakPolarHBondContact O-CB 3.49Å; R113-R117 WeakPolarHBondContact O-CD 3.39Å; R113-R117 WeakPolarHBondContact O-CG 3.25Å; R113-R117 PolarHBondContact O-N 3.24Å; E114-R117 PolarHBondContact O-N 2.88Å; A115-R117 PolarHBondContact O-N 3.45Å; R117-S121 WeakPolarHBondContact O-CB 3.43Å; R117-S121 PolarHBondContact O-N 3.07Å |
| 118 | L | 92 | Very high | 82.4 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.2 | -52.8 | 176 | -174.5 | 60.7 | 0 | 0 | 0 | 110.8 | L56 L64 I72 R75 R76 L79 I81 I110 E114 A115 E116 K120 S121 F122 | L56-L118 HydrophobicContact CD1-CD2 3.63Å; L64-L118 HydrophobicContact CD1-CD2 4.32Å; L64-L118 HydrophobicContact CD1-CG 4.15Å; I72-L118 HydrophobicContact CG2-CD2 4.26Å; R75-L118 HydrophobicContact CB-CD1 4.3Å; R75-L118 HydrophobicContact CG-CD1 4.12Å; R76-L118 HydrophobicContact CB-CD1 4Å; L79-L118 HydrophobicContact CD1-CB 4.5Å; L79-L118 HydrophobicContact CD1-CD1 4.16Å; I81-L118 HydrophobicContact CD1-CB 3.88Å; I81-L118 HydrophobicContact CD1-CD1 4.46Å; I110-L118 HydrophobicContact CD1-CD2 4.33Å; E114-L118 WeakPolarHBondContact O-CB 3.11Å; E114-L118 PolarHBondContact O-N 3.02Å; A115-L118 PolarHBondContact O-N 2.97Å; E116-L118 PolarHBondContact O-N 3.24Å; L118-K120 PolarHBondContact O-N 3.26Å; L118-S121 PolarHBondContact O-N 3.45Å; L118-S121 VanDerWaalsContact O-N 3.1Å; L118-S121 PolarHBondContact O-OG 3.33Å; L118-F122 HydrophobicContact CD1-CD2 4.48Å; L118-F122 HydrophobicContact CD1-CE2 3.96Å; L118-F122 HydrophobicContact CG-CE2 4.44Å; L118-F122 WeakPolarHBondContact O-CD2 3.43Å |
| 119 | C | 91.8 | Very high | 80.4 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.6 | -43.8 | -179.2 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | Y39 A115 E116 S121 F122 L123 | Y39-C119 HydrophobicContact CD2-CB 4.02Å; Y39-C119 HydrophobicContact CE2-CB 3.5Å; Y39-C119 VanDerWaalsContact CE2-CB 3.5Å; A115-C119 WeakPolarHBondContact O-CB 3.48Å; A115-C119 PolarHBondContact O-N 3.44Å; A115-C119 PolarHBondContact O-SG 2.81Å; E116-C119 PolarHBondContact O-N 3.26Å; C119-S121 PolarHBondContact O-N 2.77Å; C119-S121 VanDerWaalsContact O-N 3.16Å; C119-F122 PolarHBondContact O-N 2.95Å; C119-L123 HydrophobicContact CB-CD1 4.27Å; C119-L123 WeakPolarHBondContact O-CB 3.48Å; C119-L123 WeakPolarHBondContact O-CG 3.2Å; C119-L123 PolarHBondContact O-N 3.48Å |
| 120 | K | 87.3 | Confident | 78.4 | Confident | 149 Ų | 149 | 69.6 Ų | 69.6 | 65% | 0.648 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.1 | -23.3 | 175.1 | -169.5 | 165.7 | -177.1 | 170.6 | 0 | 113.5 | E116 L118 F122 G124 | E116-K120 WeakPolarHBondContact O-CB 3.29Å; E116-K120 PolarHBondContact O-N 2.96Å; L118-K120 PolarHBondContact O-N 3.26Å; K120-F122 VanDerWaalsContact C-N 3.33Å; K120-G124 VanDerWaalsContact O-CA 3.29Å; K120-G124 WeakPolarHBondContact O-CA 3.46Å; K120-G124 PolarHBondContact O-N 2.89Å |
| 121 | S | 85.2 | Confident | 76.8 | Confident | 27 Ų | 27 | 72 Ų | 72 | 19% | 0.189 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -83.4 | -6.5 | 176.4 | 76.9 | 0 | 0 | 0 | 0 | 115 | R75 L79 R117 L118 C119 | R75-S121 VanDerWaalsContact CD-OG 3.31Å; R75-S121 WeakPolarHBondContact CD-OG 3.34Å; R75-S121 WeakPolarHBondContact CG-OG 3.44Å; L79-S121 WeakPolarHBondContact CD1-OG 3.28Å; R117-S121 WeakPolarHBondContact O-CB 3.43Å; R117-S121 PolarHBondContact O-N 3.07Å; L118-S121 PolarHBondContact O-N 3.45Å; L118-S121 VanDerWaalsContact O-N 3.1Å; L118-S121 PolarHBondContact O-OG 3.33Å; C119-S121 PolarHBondContact O-N 2.77Å; C119-S121 VanDerWaalsContact O-N 3.16Å |
| 122 | F | 85.9 | Confident | 75.6 | Confident | 30 Ų | 30 | 75.5 Ų | 75.5 | 13% | 0.132 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -108.4 | -45.3 | 171.8 | -78.5 | -68.6 | 0 | 0 | 0 | 111.8 | L64 Y67 E71 I72 R75 L118 C119 K120 | L64-F122 HydrophobicContact CD1-CD2 3.78Å; L64-F122 HydrophobicContact CD1-CE2 4.04Å; L64-F122 HydrophobicContact CD2-CB 3.63Å; L64-F122 HydrophobicContact CD2-CD2 3.62Å; L64-F122 HydrophobicContact CD2-CG 3.83Å; L64-F122 HydrophobicContact CG-CD2 4.34Å; Y67-F122 AromaticContact CD1-CD1 3.56Å; Y67-F122 HydrophobicContact CD1-CD1 3.56Å; Y67-F122 AromaticContact CD1-CE1 3.78Å; Y67-F122 HydrophobicContact CD1-CE1 3.78Å; Y67-F122 HydrophobicContact CD2-CB 4.28Å; Y67-F122 AromaticContact CD2-CD1 3.89Å; Y67-F122 HydrophobicContact CD2-CD1 3.89Å; Y67-F122 HydrophobicContact CD2-CE1 4.41Å; Y67-F122 HydrophobicContact CD2-CG 4.1Å; Y67-F122 HydrophobicContact CE1-CB 4.5Å; Y67-F122 AromaticContact CE1-CD1 3.58Å; Y67-F122 HydrophobicContact CE1-CD1 3.58Å; Y67-F122 HydrophobicContact CE1-CE1 4.24Å; Y67-F122 HydrophobicContact CE1-CG 4.43Å; Y67-F122 HydrophobicContact CE2-CB 3.72Å; Y67-F122 AromaticContact CE2-CD1 3.93Å; Y67-F122 HydrophobicContact CE2-CD1 3.93Å; Y67-F122 HydrophobicContact CE2-CG 4.01Å; Y67-F122 AromaticContact CG-CD1 3.71Å; Y67-F122 HydrophobicContact CG-CD1 3.71Å; Y67-F122 AromaticContact CG-CE1 3.87Å; Y67-F122 HydrophobicContact CG-CE1 3.87Å; Y67-F122 HydrophobicContact CG-CG 4.36Å; Y67-F122 AromaticContact CZ-CD1 3.77Å; Y67-F122 PolarHBondContact OH-O 2.98Å; E71-F122 HydrophobicContact CB-CE1 4.31Å; E71-F122 HydrophobicContact CB-CZ 4.42Å; I72-F122 HydrophobicContact CB-CE2 4.46Å; I72-F122 HydrophobicContact CB-CZ 4.43Å; I72-F122 HydrophobicContact CG1-CE2 4.05Å; I72-F122 HydrophobicContact CG1-CZ 3.98Å; R75-F122 HydrophobicContact CB-CE1 4.29Å; R75-F122 HydrophobicContact CB-CE2 3.69Å; R75-F122 HydrophobicContact CB-CZ 3.43Å; R75-F122 VanDerWaalsContact CB-CZ 3.43Å; R75-F122 HydrophobicContact CG-CD2 4.2Å; R75-F122 HydrophobicContact CG-CE1 4.34Å; R75-F122 HydrophobicContact CG-CE2 3.62Å; R75-F122 HydrophobicContact CG-CZ 3.7Å; L118-F122 HydrophobicContact CD1-CD2 4.48Å; L118-F122 HydrophobicContact CD1-CE2 3.96Å; L118-F122 HydrophobicContact CG-CE2 4.44Å; L118-F122 WeakPolarHBondContact O-CD2 3.43Å; C119-F122 PolarHBondContact O-N 2.95Å; K120-F122 VanDerWaalsContact C-N 3.33Å |
| 123 | L | 82.3 | Confident | 74.2 | Confident | 96 Ų | 96 | 79.6 Ų | 79.6 | 50% | 0.503 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -81.1 | -22.5 | -179.1 | -58.3 | 174.2 | 0 | 0 | 0 | 113 | C119 | C119-L123 HydrophobicContact CB-CD1 4.27Å; C119-L123 WeakPolarHBondContact O-CB 3.48Å; C119-L123 WeakPolarHBondContact O-CG 3.2Å; C119-L123 PolarHBondContact O-N 3.48Å |
| 124 | G | 68.9 | Low | 73 | Confident | 32 Ų | 32 | 78.3 Ų | 78.3 | 33% | 0.33 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -73.7 | 135.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | K120 H126 | K120-G124 VanDerWaalsContact O-CA 3.29Å; K120-G124 WeakPolarHBondContact O-CA 3.46Å; K120-G124 PolarHBondContact O-N 2.89Å; G124-H126 PolarHBondContact O-N 3.27Å |
| 125 | A | 50.2 | Low | 72.5 | Confident | 93 Ų | 93 | 79.7 Ų | 79.7 | 77% | 0.769 | 43% | 0.425 | S | S | * | . | trans | -58.3 | 97.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 126 | H | 52.2 | Low | 72.1 | Confident | 104 Ų | 104 | 81.3 Ų | 81.3 | 48% | 0.481 | 44% | 0.439 | S | S | . | . | trans | -93.4 | 29.5 | 167.4 | -157.7 | -60.8 | 0 | 0 | 0 | 111.2 | G124 P128 | G124-H126 PolarHBondContact O-N 3.27Å; H126-P128 WeakPolarHBondContact O-CD 3.49Å | ||
| 127 | S | 48.2 | Very low | 71.9 | Confident | 78 Ų | 78 | 77.9 Ų | 77.9 | 55% | 0.545 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 120.6 | 154 | 51 | 0 | 0 | 0 | 0 | 107.5 | ||
| 128 | P | 52.9 | Low | 72 | Confident | 54 Ų | 54 | 73.6 Ų | 73.6 | 35% | 0.351 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 164.8 | 164.5 | 28.6 | -34.1 | 0 | 0 | 0 | 109.9 | H126 K130 M226 | H126-P128 WeakPolarHBondContact O-CD 3.49Å; P128-K130 PolarHBondContact O-N 2.86Å; P128-K130 VanDerWaalsContact O-N 3.08Å; P128-M226 HydrophobicContact CB-CE 3.88Å; P128-M226 HydrophobicContact CB-SD 3.62Å; P128-M226 HydrophobicContact CG-CE 3.7Å; P128-M226 HydrophobicContact CG-SD 3.99Å |
| 129 | P | 51.6 | Low | 72 | Confident | 81 Ų | 81 | 73.6 Ų | 73.6 | 53% | 0.526 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -48.7 | 123.1 | 160.2 | 23.3 | -33.4 | 0 | 0 | 0 | 108.3 | L131 | P129-L131 PolarHBondContact O-N 2.85Š|
| 130 | K | 51.5 | Low | 72 | Confident | 197 Ų | 197 | 74.7 Ų | 74.7 | 86% | 0.857 | 42% | 0.417 | S | S | * | . | trans | -73.2 | 82.2 | -177.4 | -72.9 | -173.1 | 179.5 | -178.2 | 0 | 109.4 | P128 | P128-K130 PolarHBondContact O-N 2.86Å; P128-K130 VanDerWaalsContact O-N 3.08Å | ||
| 131 | L | 61.5 | Low | 72.1 | Confident | 51 Ų | 51 | 67.8 Ų | 67.8 | 27% | 0.267 | 39% | 0.387 | S | S | . | . | trans | -49.8 | 142 | 160 | -63.3 | 168 | 0 | 0 | 0 | 108.5 | P129 E133 F135 F137 P153 A219 | P129-L131 PolarHBondContact O-N 2.85Å; L131-E133 PolarHBondContact O-N 2.86Å; L131-F135 HydrophobicContact CB-CB 4.33Å; L131-F135 HydrophobicContact CB-CD1 4.22Å; L131-F135 HydrophobicContact CB-CG 4.46Å; L131-F135 HydrophobicContact CD1-CD1 4.06Å; L131-F135 HydrophobicContact CD1-CE1 4.32Å; L131-F135 HydrophobicContact CD2-CD1 4.32Å; L131-F135 HydrophobicContact CD2-CE1 4.41Å; L131-F135 HydrophobicContact CG-CD1 4.44Å; L131-F137 HydrophobicContact CD1-CE2 3.57Å; L131-F137 HydrophobicContact CD1-CZ 3.53Å; L131-P153 HydrophobicContact CD1-CG 4.18Å; L131-A219 HydrophobicContact CD1-CB 4.32Å; L131-A219 HydrophobicContact CD2-CB 3.98Å | ||
| 132 | P | 69.5 | Low | 72.2 | Confident | 93 Ų | 93 | 71.2 Ų | 71.2 | 60% | 0.604 | 40% | 0.4 | S | S | * | . | trans | -50.6 | 143.2 | 179.5 | -27.9 | 34.7 | 0 | 0 | 0 | 111.6 | N134 F135 | P132-N134 PolarHBondContact O-N 3.01Å; P132-F135 HydrophobicContact CB-CB 4.28Å; P132-F135 WeakPolarHBondContact O-CB 3.35Å; P132-F135 PolarHBondContact O-N 2.84Å | ||
| 133 | E | 62.5 | Low | 72.3 | Confident | 166 Ų | 166 | 70.4 Ų | 70.4 | 78% | 0.776 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -25.6 | -170 | -168.5 | 167.3 | -177.6 | 0 | 0 | 113.7 | L131 A154 | L131-E133 PolarHBondContact O-N 2.86Å; E133-A154 HydrophobicContact CG-CB 4.36Å |
| 134 | N | 68.1 | Low | 72.5 | Confident | 163 Ų | 163 | 66.5 Ų | 66.5 | 87% | 0.872 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -1.3 | 175 | -63.7 | -56.5 | 0 | 0 | 0 | 114.4 | P132 | P132-N134 PolarHBondContact O-N 3.01Š|
| 135 | F | 82.2 | Confident | 73.2 | Confident | 53 Ų | 53 | 68.8 Ų | 68.8 | 23% | 0.232 | 38% | 0.378 | C | S | . | . | trans | -71.5 | 136.7 | -179.1 | -174 | -92.9 | 0 | 0 | 0 | 111.3 | L131 P132 F137 P153 I216 | L131-F135 HydrophobicContact CB-CB 4.33Å; L131-F135 HydrophobicContact CB-CD1 4.22Å; L131-F135 HydrophobicContact CB-CG 4.46Å; L131-F135 HydrophobicContact CD1-CD1 4.06Å; L131-F135 HydrophobicContact CD1-CE1 4.32Å; L131-F135 HydrophobicContact CD2-CD1 4.32Å; L131-F135 HydrophobicContact CD2-CE1 4.41Å; L131-F135 HydrophobicContact CG-CD1 4.44Å; P132-F135 HydrophobicContact CB-CB 4.28Å; P132-F135 WeakPolarHBondContact O-CB 3.35Å; P132-F135 PolarHBondContact O-N 2.84Å; F135-F137 HydrophobicContact CD1-CD2 4.44Å; F135-F137 HydrophobicContact CD1-CE2 4.28Å; F135-F137 HydrophobicContact CD1-CZ 4.5Å; F135-F137 AromaticContact CE1-CD1 3.86Å; F135-F137 HydrophobicContact CE1-CD1 3.86Å; F135-F137 AromaticContact CE1-CD2 4Å; F135-F137 HydrophobicContact CE1-CD2 4Å; F135-F137 AromaticContact CE1-CE1 3.75Å; F135-F137 HydrophobicContact CE1-CE1 3.75Å; F135-F137 AromaticContact CE1-CE2 3.88Å; F135-F137 HydrophobicContact CE1-CE2 3.88Å; F135-F137 HydrophobicContact CE1-CG 4Å; F135-F137 AromaticContact CE1-CZ 3.78Å; F135-F137 HydrophobicContact CE1-CZ 3.78Å; F135-F137 HydrophobicContact CZ-CD1 4.39Å; F135-F137 HydrophobicContact CZ-CE1 4.35Å; F135-P153 VanDerWaalsContact O-CD 3.28Å; F135-P153 WeakPolarHBondContact O-CD 3.44Å; F135-I216 HydrophobicContact CE2-CD1 4.15Å; F135-I216 HydrophobicContact CZ-CD1 4.01Å; F135-I216 HydrophobicContact CZ-CG1 4.15Å; F135-I216 HydrophobicContact CZ-CG2 4.19Å | ||
| 136 | A | 87 | Confident | 75 | Confident | 35 Ų | 35 | 64.8 Ų | 64.8 | 29% | 0.289 | 35% | 0.347 | S | S | . | . | trans | -137.3 | 136.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | N150 F151 I152 | A136-N150 HydrophobicContact CB-CB 4.14Å; A136-F151 CarbonylContact C-O 3.59Å; A136-F151 VanDerWaalsContact CA-O 3.23Å; A136-F151 WeakPolarHBondContact CA-O 3.39Å; A136-F151 WeakPolarHBondContact CB-O 3.21Å; A136-I152 HydrophobicContact CB-CG1 4.06Å | ||
| 137 | F | 88.6 | Confident | 76.9 | Confident | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.009 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 123.2 | 171.9 | -62.2 | -89.5 | 0 | 0 | 0 | 109.2 | L131 F135 V139 N150 F151 P153 L207 I216 A219 W220 V223 | L131-F137 HydrophobicContact CD1-CE2 3.57Å; L131-F137 HydrophobicContact CD1-CZ 3.53Å; F135-F137 HydrophobicContact CD1-CD2 4.44Å; F135-F137 HydrophobicContact CD1-CE2 4.28Å; F135-F137 HydrophobicContact CD1-CZ 4.5Å; F135-F137 AromaticContact CE1-CD1 3.86Å; F135-F137 HydrophobicContact CE1-CD1 3.86Å; F135-F137 AromaticContact CE1-CD2 4Å; F135-F137 HydrophobicContact CE1-CD2 4Å; F135-F137 AromaticContact CE1-CE1 3.75Å; F135-F137 HydrophobicContact CE1-CE1 3.75Å; F135-F137 AromaticContact CE1-CE2 3.88Å; F135-F137 HydrophobicContact CE1-CE2 3.88Å; F135-F137 HydrophobicContact CE1-CG 4Å; F135-F137 AromaticContact CE1-CZ 3.78Å; F135-F137 HydrophobicContact CE1-CZ 3.78Å; F135-F137 HydrophobicContact CZ-CD1 4.39Å; F135-F137 HydrophobicContact CZ-CE1 4.35Å; F137-V139 HydrophobicContact CB-CG1 3.92Å; F137-V139 PolarHBondContact O-N 2.99Å; F137-N150 CarbonylContact O-C 3.52Å; F137-N150 WeakPolarHBondContact O-CA 3.43Å; F137-F151 HydrophobicContact CB-CB 4.35Å; F137-F151 HydrophobicContact CD2-CD1 4.14Å; F137-F151 PolarHBondContact N-O 3.48Å; F137-F151 PolarHBondContact O-N 2.85Å; F137-P153 HydrophobicContact CD2-CG 3.89Å; F137-P153 HydrophobicContact CE2-CG 3.65Å; F137-L207 HydrophobicContact CB-CD2 3.93Å; F137-L207 HydrophobicContact CD1-CD2 3.82Å; F137-L207 HydrophobicContact CG-CD2 4.31Å; F137-I216 HydrophobicContact CD1-CG2 3.94Å; F137-I216 HydrophobicContact CE1-CG2 3.95Å; F137-I216 WeakPolarHBondContact CE1-O 3.41Å; F137-A219 HydrophobicContact CE1-CB 4.09Å; F137-A219 HydrophobicContact CZ-CB 3.82Å; F137-W220 HydrophobicContact CB-CE3 4.1Å; F137-W220 HydrophobicContact CB-CZ3 4.36Å; F137-W220 HydrophobicContact CD1-CB 3.95Å; F137-W220 HydrophobicContact CD1-CD2 4.49Å; F137-W220 HydrophobicContact CD1-CE3 4.06Å; F137-W220 HydrophobicContact CD1-CG 4.49Å; F137-W220 AromaticContact CD2-CE3 3.95Å; F137-W220 HydrophobicContact CD2-CE3 3.95Å; F137-W220 HydrophobicContact CD2-CZ3 4.35Å; F137-W220 HydrophobicContact CE1-CB 3.72Å; F137-W220 HydrophobicContact CE1-CE3 4.43Å; F137-W220 HydrophobicContact CE2-CE3 4.34Å; F137-W220 AromaticContact CG-CE3 3.78Å; F137-W220 HydrophobicContact CG-CE3 3.78Å; F137-W220 HydrophobicContact CG-CZ3 4.37Å; F137-W220 HydrophobicContact CZ-CB 4.41Å; F137-V223 HydrophobicContact CE2-CG2 3.85Å; F137-V223 HydrophobicContact CZ-CG2 4.2Å |
| 138 | D | 91.9 | Very high | 79.1 | Confident | 41 Ų | 41 | 61.7 Ų | 61.7 | 22% | 0.219 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 112.3 | 166.9 | 178.2 | 16.3 | 0 | 0 | 0 | 108.9 | R148 L207 S208 | D138-R148 WeakPolarHBondContact OD1-CG 3.44Å; D138-R148 IonicContact OD1-CZ 3.82Å; D138-R148 IonicContact OD1-NE 3.14Å; D138-R148 PolarHBondContact OD1-NE 3.48Å; D138-R148 IonicContact OD1-NH2 3.87Å; D138-R148 IonicContact OD2-CZ 3.21Å; D138-R148 VanDerWaalsContact OD2-CZ 3.28Å; D138-R148 IonicContact OD2-NE 2.72Å; D138-R148 PolarHBondContact OD2-NE 2.84Å; D138-R148 VanDerWaalsContact OD2-NE 3.14Å; D138-R148 IonicContact OD2-NH2 2.65Å; D138-R148 PolarHBondContact OD2-NH2 3.28Å; D138-L207 WeakPolarHBondContact O-CA 3.2Å; D138-S208 PolarHBondContact O-N 3.09Å; D138-S208 WeakPolarHBondContact OD1-CB 3.44Å |
| 139 | V | 92.1 | Very high | 81 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 145.8 | -171.2 | -67.6 | 0 | 0 | 0 | 0 | 111.8 | F137 R148 G149 F151 I164 L205 K206 L207 W220 | F137-V139 HydrophobicContact CB-CG1 3.92Å; F137-V139 PolarHBondContact O-N 2.99Å; V139-R148 CarbonylContact O-C 3.58Å; V139-R148 WeakPolarHBondContact O-CA 3.42Å; V139-G149 WeakPolarHBondContact CG2-O 3.48Å; V139-G149 PolarHBondContact N-O 3.17Å; V139-G149 PolarHBondContact O-N 3.31Å; V139-G149 VanDerWaalsContact O-O 3.06Å; V139-F151 HydrophobicContact CG1-CB 4.23Å; V139-F151 HydrophobicContact CG2-CB 3.88Å; V139-I164 HydrophobicContact CG2-CG2 4.22Å; V139-L205 HydrophobicContact CB-CD1 3.75Å; V139-L205 HydrophobicContact CB-CD2 4.4Å; V139-L205 HydrophobicContact CB-CG 3.96Å; V139-L205 HydrophobicContact CG1-CG 4.43Å; V139-L205 HydrophobicContact CG2-CD1 3.84Å; V139-L205 HydrophobicContact CG2-CD2 4.23Å; V139-L205 HydrophobicContact CG2-CG 4.23Å; V139-K206 CarbonylContact C-O 3.31Å; V139-K206 WeakPolarHBondContact CA-O 3.33Å; V139-K206 WeakPolarHBondContact CB-O 3.28Å; V139-L207 HydrophobicContact CG1-CD2 4.13Å; V139-W220 HydrophobicContact CG1-CE3 4.4Å; V139-W220 HydrophobicContact CG1-CH2 3.64Å; V139-W220 HydrophobicContact CG1-CZ2 3.76Å; V139-W220 HydrophobicContact CG1-CZ3 3.97Å |
| 140 | S | 91.8 | Very high | 83 | Confident | 23 Ų | 23 | 58.4 Ų | 58.4 | 16% | 0.161 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 155.9 | 177.4 | 61.4 | 0 | 0 | 0 | 0 | 112.6 | S147 K206 | S140-S147 CarbonylContact C-O 3.5Å; S140-S147 WeakPolarHBondContact CA-O 3.37Å; S140-S147 VanDerWaalsContact CB-O 3.32Å; S140-S147 WeakPolarHBondContact CB-O 3.39Å; S140-K206 PolarHBondContact N-O 3.43Å; S140-K206 PolarHBondContact O-N 2.95Å |
| 141 | H | 90.3 | Very high | 84.9 | Confident | 5 Ų | 5 | 49 Ų | 49 | 2% | 0.023 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 153.4 | 169.7 | 73.6 | 82.4 | 0 | 0 | 0 | 110.4 | C143 G146 S147 F178 H204 | H141-C143 PolarHBondContact CE1-O 3.32Å; H141-C143 VanDerWaalsContact CE1-O 3.24Å; H141-C143 PolarHBondContact ND1-N 2.94Å; H141-C143 PolarHBondContact ND1-O 3.47Å; H141-G146 CarbonylContact O-C 3.58Å; H141-G146 WeakPolarHBondContact O-CA 3.5Å; H141-S147 PolarHBondContact N-O 2.95Å; H141-S147 WeakPolarHBondContact NE2-CB 3.31Å; H141-S147 PolarHBondContact O-N 2.78Å; H141-F178 AromaticContact CD2-CD1 3.88Å; H141-F178 AromaticContact CD2-CE1 3.73Å; H141-F178 PolarHBondContact NE2-O 3.47Å; H141-H204 WeakPolarHBondContact CA-O 3.14Å; H141-H204 WeakPolarHBondContact CB-O 3.24Å |
| 142 | E | 87.9 | Confident | 86.3 | Confident | 99 Ų | 99 | 48 Ų | 48 | 46% | 0.463 | 25% | 0.248 | S | C | . | . | trans | -98.6 | -8.7 | 179.2 | -68.4 | 145.7 | -166.5 | 0 | 0 | 112.4 | T191 K206 | E142-T191 WeakPolarHBondContact O-CB 3.43Å; E142-K206 IonicContact OE1-NZ 2.62Å; E142-K206 PolarHBondContact OE1-NZ 3.38Å; E142-K206 IonicContact OE2-NZ 2.9Å; E142-K206 PolarHBondContact OE2-NZ 2.72Å | ||
| 143 | C | 86.3 | Confident | 87 | Confident | 12 Ų | 12 | 45.2 Ų | 45.2 | 8% | 0.081 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -61.2 | 139.9 | -178.1 | -59.9 | 0 | 0 | 0 | 0 | 113.3 | H141 W145 G146 P193 | H141-C143 PolarHBondContact CE1-O 3.32Å; H141-C143 VanDerWaalsContact CE1-O 3.24Å; H141-C143 PolarHBondContact ND1-N 2.94Å; H141-C143 PolarHBondContact ND1-O 3.47Å; C143-W145 PolarHBondContact O-N 3.5Å; C143-G146 WeakPolarHBondContact O-CA 3.2Å; C143-G146 PolarHBondContact O-N 2.88Å; C143-P193 HydrophobicContact CB-CB 4.25Å; C143-P193 HydrophobicContact CB-CG 4.15Å |
| 144 | A | 86.4 | Confident | 87.9 | Confident | 15 Ų | 15 | 40.6 Ų | 40.6 | 12% | 0.124 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | 56.3 | -118.2 | -169.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | G146 Y190 T191 P193 | A144-G146 VanDerWaalsContact C-N 3.31Å; A144-Y190 HydrophobicContact CB-CE2 4.01Å; A144-Y190 CarbonylContact O-C 3.51Å; A144-Y190 WeakPolarHBondContact O-CA 3.21Å; A144-T191 WeakPolarHBondContact CA-O 3.39Å; A144-T191 PolarHBondContact N-O 3.42Å; A144-T191 PolarHBondContact O-N 3.43Å; A144-P193 HydrophobicContact CB-CG 4.47Å |
| 145 | W | 84.8 | Confident | 88.6 | Confident | 79 Ų | 79 | 39.1 Ų | 39.1 | 30% | 0.299 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 2.4 | 173 | -57.2 | 93.2 | 0 | 0 | 0 | 113.1 | C143 H183 R184 S188 Y190 | C143-W145 PolarHBondContact O-N 3.5Å; W145-H183 WeakPolarHBondContact CB-O 3.19Å; W145-R184 HydrophobicContact CD2-CB 4.45Å; W145-R184 HydrophobicContact CD2-CG 4.07Å; W145-R184 HydrophobicContact CE3-CG 3.92Å; W145-R184 HydrophobicContact CG-CB 4.37Å; W145-R184 HydrophobicContact CG-CG 4.5Å; W145-R184 HydrophobicContact CZ3-CG 4.34Å; W145-S188 WeakPolarHBondContact CZ3-O 3.17Å; W145-S188 VanDerWaalsContact O-CB 3.25Å; W145-S188 WeakPolarHBondContact O-CB 3.34Å; W145-Y190 HydrophobicContact CD2-CD2 4.01Å; W145-Y190 AromaticContact CE2-CD2 3.64Å; W145-Y190 HydrophobicContact CG-CD2 4.27Å; W145-Y190 AromaticContact CZ2-CD2 4Å; W145-Y190 HydrophobicContact CZ2-CD2 4Å; W145-Y190 HydrophobicContact CZ2-CG 4.24Å; W145-Y190 AromaticContact NE1-CD2 3.67Å |
| 146 | G | 88.5 | Confident | 88.5 | Confident | 10 Ų | 10 | 37.3 Ų | 37.3 | 10% | 0.103 | 20% | 0.195 | C | C | . | . | trans | 75.7 | 168.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | H141 C143 A144 S182 H183 | H141-G146 CarbonylContact O-C 3.58Å; H141-G146 WeakPolarHBondContact O-CA 3.5Å; C143-G146 WeakPolarHBondContact O-CA 3.2Å; C143-G146 PolarHBondContact O-N 2.88Å; A144-G146 VanDerWaalsContact C-N 3.31Å; G146-S182 CarbonylContact O-C 3.52Å; G146-S182 WeakPolarHBondContact O-CA 3.5Å; G146-S182 VanDerWaalsContact O-CB 3.24Å; G146-S182 WeakPolarHBondContact O-CB 3.48Å; G146-H183 PolarHBondContact O-N 3.35Å | ||
| 147 | S | 91.3 | Very high | 88 | Confident | 5 Ų | 5 | 42.3 Ų | 42.3 | 4% | 0.035 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 156.4 | 177.5 | -148.1 | 0 | 0 | 0 | 0 | 111 | S140 H141 H181 | S140-S147 CarbonylContact C-O 3.5Å; S140-S147 WeakPolarHBondContact CA-O 3.37Å; S140-S147 VanDerWaalsContact CB-O 3.32Å; S140-S147 WeakPolarHBondContact CB-O 3.39Å; H141-S147 PolarHBondContact N-O 2.95Å; H141-S147 WeakPolarHBondContact NE2-CB 3.31Å; H141-S147 PolarHBondContact O-N 2.78Å; S147-H181 WeakPolarHBondContact CB-O 3.04Å; S147-H181 PolarHBondContact OG-O 3.09Å |
| 148 | R | 93.4 | Very high | 87.3 | Confident | 111 Ų | 111 | 44.6 Ų | 44.6 | 42% | 0.419 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 145.3 | 175.2 | -175.3 | 177.1 | 175.6 | -169.8 | 3.2 | 109.2 | D138 V139 S167 Y168 S208 | D138-R148 WeakPolarHBondContact OD1-CG 3.44Å; D138-R148 IonicContact OD1-CZ 3.82Å; D138-R148 IonicContact OD1-NE 3.14Å; D138-R148 PolarHBondContact OD1-NE 3.48Å; D138-R148 IonicContact OD1-NH2 3.87Å; D138-R148 IonicContact OD2-CZ 3.21Å; D138-R148 VanDerWaalsContact OD2-CZ 3.28Å; D138-R148 IonicContact OD2-NE 2.72Å; D138-R148 PolarHBondContact OD2-NE 2.84Å; D138-R148 VanDerWaalsContact OD2-NE 3.14Å; D138-R148 IonicContact OD2-NH2 2.65Å; D138-R148 PolarHBondContact OD2-NH2 3.28Å; V139-R148 CarbonylContact O-C 3.58Å; V139-R148 WeakPolarHBondContact O-CA 3.42Å; R148-S167 PolarHBondContact O-N 3.32Å; R148-S167 PolarHBondContact O-OG 3.05Å; R148-Y168 HydrophobicContact CB-CE2 4.3Å; R148-S208 WeakPolarHBondContact CD-OG 3.36Å; R148-S208 PolarHBondContact NE-OG 3.17Å |
| 149 | G | 93.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.6 | 166.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V139 K165 S167 | V139-G149 WeakPolarHBondContact CG2-O 3.48Å; V139-G149 PolarHBondContact N-O 3.17Å; V139-G149 PolarHBondContact O-N 3.31Å; V139-G149 VanDerWaalsContact O-O 3.06Å; G149-K165 CarbonylContact C-O 3.51Å; G149-K165 WeakPolarHBondContact CA-O 3.4Å; G149-S167 WeakPolarHBondContact CA-OG 3.42Å |
| 150 | N | 93.6 | Very high | 86.2 | Confident | 67 Ų | 67 | 55.8 Ų | 55.8 | 36% | 0.358 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 114.7 | -176.9 | -63 | 9.4 | 0 | 0 | 0 | 109.1 | A136 F137 I164 K165 | A136-N150 HydrophobicContact CB-CB 4.14Å; F137-N150 CarbonylContact O-C 3.52Å; F137-N150 WeakPolarHBondContact O-CA 3.43Å; N150-I164 WeakPolarHBondContact O-CA 3.25Å; N150-K165 PolarHBondContact N-O 3.03Å; N150-K165 PolarHBondContact O-N 3.24Å |
| 151 | F | 91.5 | Very high | 86 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 120 | 172.9 | 180 | -72.7 | 0 | 0 | 0 | 109.4 | A136 F137 V139 P153 Y156 C163 I164 P175 W201 W220 V223 | A136-F151 CarbonylContact C-O 3.59Å; A136-F151 VanDerWaalsContact CA-O 3.23Å; A136-F151 WeakPolarHBondContact CA-O 3.39Å; A136-F151 WeakPolarHBondContact CB-O 3.21Å; F137-F151 HydrophobicContact CB-CB 4.35Å; F137-F151 HydrophobicContact CD2-CD1 4.14Å; F137-F151 PolarHBondContact N-O 3.48Å; F137-F151 PolarHBondContact O-N 2.85Å; V139-F151 HydrophobicContact CG1-CB 4.23Å; V139-F151 HydrophobicContact CG2-CB 3.88Å; F151-P153 HydrophobicContact CD1-CG 4.11Å; F151-P153 HydrophobicContact CE1-CB 4.27Å; F151-P153 HydrophobicContact CE1-CG 4.07Å; F151-P153 WeakPolarHBondContact O-CD 3.48Å; F151-Y156 HydrophobicContact CE1-CD1 4.47Å; F151-Y156 HydrophobicContact CE2-CD1 4.22Å; F151-Y156 HydrophobicContact CE2-CE1 4.36Å; F151-Y156 HydrophobicContact CE2-CG 4.46Å; F151-Y156 AromaticContact CZ-CD1 3.53Å; F151-Y156 HydrophobicContact CZ-CD1 3.53Å; F151-Y156 HydrophobicContact CZ-CE1 4Å; F151-Y156 AromaticContact CZ-CG 3.9Å; F151-Y156 HydrophobicContact CZ-CG 3.9Å; F151-C163 VanDerWaalsContact CE2-SG 3.55Å; F151-I164 HydrophobicContact CB-CG1 4.15Å; F151-I164 HydrophobicContact CD2-CD1 3.96Å; F151-I164 HydrophobicContact CD2-CG1 3.64Å; F151-I164 HydrophobicContact CG-CG1 4.28Å; F151-P175 HydrophobicContact CE2-CG 4.03Å; F151-W201 HydrophobicContact CE2-CH2 4.35Å; F151-W220 HydrophobicContact CB-CZ3 4.35Å; F151-W220 HydrophobicContact CD1-CZ3 4.08Å; F151-W220 HydrophobicContact CD2-CH2 4.11Å; F151-W220 HydrophobicContact CD2-CZ3 4.04Å; F151-W220 HydrophobicContact CE1-CZ3 4.39Å; F151-W220 HydrophobicContact CE2-CH2 4.49Å; F151-W220 HydrophobicContact CE2-CZ3 4.35Å; F151-W220 HydrophobicContact CG-CH2 4.35Å; F151-W220 AromaticContact CG-CZ3 3.92Å; F151-W220 HydrophobicContact CG-CZ3 3.92Å; F151-V223 HydrophobicContact CD1-CG1 4.4Å; F151-V223 HydrophobicContact CE1-CG1 3.54Å; F151-V223 HydrophobicContact CE2-CG1 4.44Å; F151-V223 HydrophobicContact CZ-CG1 3.57Å |
| 152 | I | 90.4 | Very high | 86.1 | Confident | 29 Ų | 29 | 62 Ų | 62 | 15% | 0.149 | 31% | 0.308 | C | S | . | . | trans | -104.7 | 106.1 | -179.1 | -54.6 | 174.2 | 0 | 0 | 0 | 109 | A136 A154 R155 C163 Y172 | A136-I152 HydrophobicContact CB-CG1 4.06Å; I152-A154 VanDerWaalsContact C-N 3.34Å; I152-A154 HydrophobicContact CG2-CB 4.38Å; I152-A154 PolarHBondContact O-N 3.38Å; I152-R155 HydrophobicContact CB-CB 4.43Å; I152-R155 HydrophobicContact CB-CG 4.37Å; I152-R155 HydrophobicContact CG2-CB 4.39Å; I152-R155 HydrophobicContact CG2-CG 3.97Å; I152-R155 PolarHBondContact O-N 2.9Å; I152-R155 VanDerWaalsContact O-N 3.16Å; I152-C163 PolarHBondContact N-O 2.99Å; I152-Y172 HydrophobicContact CD1-CE1 4.17Å | ||
| 153 | P | 84.6 | Confident | 86.2 | Confident | 35 Ų | 35 | 57.2 Ų | 57.2 | 23% | 0.227 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -61 | -39.4 | -176.1 | -23.2 | 34.9 | 0 | 0 | 0 | 113.2 | L131 F135 F137 F151 R155 Y156 | L131-P153 HydrophobicContact CD1-CG 4.18Å; F135-P153 VanDerWaalsContact O-CD 3.28Å; F135-P153 WeakPolarHBondContact O-CD 3.44Å; F137-P153 HydrophobicContact CD2-CG 3.89Å; F137-P153 HydrophobicContact CE2-CG 3.65Å; F151-P153 HydrophobicContact CD1-CG 4.11Å; F151-P153 HydrophobicContact CE1-CB 4.27Å; F151-P153 HydrophobicContact CE1-CG 4.07Å; F151-P153 WeakPolarHBondContact O-CD 3.48Å; P153-R155 PolarHBondContact O-N 3.11Å; P153-R155 VanDerWaalsContact O-N 3.09Å; P153-Y156 WeakPolarHBondContact O-CB 3.36Å; P153-Y156 PolarHBondContact O-N 3.35Å |
| 154 | A | 82.3 | Confident | 86.6 | Confident | 69 Ų | 69 | 56.7 Ų | 56.7 | 57% | 0.57 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -58.1 | -24.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E133 I152 | E133-A154 HydrophobicContact CG-CB 4.36Å; I152-A154 VanDerWaalsContact C-N 3.34Å; I152-A154 HydrophobicContact CG2-CB 4.38Å; I152-A154 PolarHBondContact O-N 3.38Å |
| 155 | R | 82.3 | Confident | 86.9 | Confident | 132 Ų | 132 | 59.1 Ų | 59.1 | 50% | 0.498 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -91.3 | -3.4 | 176.7 | -65 | -172.5 | -179 | -163.8 | -0.3 | 113.8 | I152 P153 N157 A161 C163 Y172 | I152-R155 HydrophobicContact CB-CB 4.43Å; I152-R155 HydrophobicContact CB-CG 4.37Å; I152-R155 HydrophobicContact CG2-CB 4.39Å; I152-R155 HydrophobicContact CG2-CG 3.97Å; I152-R155 PolarHBondContact O-N 2.9Å; I152-R155 VanDerWaalsContact O-N 3.16Å; P153-R155 PolarHBondContact O-N 3.11Å; P153-R155 VanDerWaalsContact O-N 3.09Å; R155-N157 VanDerWaalsContact C-N 3.33Å; R155-N157 PolarHBondContact O-N 3.02Å; R155-N157 VanDerWaalsContact O-N 3.13Å; R155-A161 WeakPolarHBondContact O-CB 3.35Å; R155-C163 HydrophobicContact CB-CB 4.4Å; R155-Y172 VanDerWaalsContact NH1-CE1 3.27Å; R155-Y172 VanDerWaalsContact NH1-CZ 3.31Å; R155-Y172 PolarHBondContact NH1-OH 3.37Å |
| 156 | Y | 80.8 | Confident | 87.4 | Confident | 15 Ų | 15 | 55.4 Ų | 55.4 | 6% | 0.059 | 28% | 0.276 | C | S | . | . | trans | -91.6 | 58.1 | -171.7 | -163.1 | -139.5 | 0 | 0 | 0 | 113.2 | F151 P153 S158 A161 C163 P175 W201 F227 | F151-Y156 HydrophobicContact CE1-CD1 4.47Å; F151-Y156 HydrophobicContact CE2-CD1 4.22Å; F151-Y156 HydrophobicContact CE2-CE1 4.36Å; F151-Y156 HydrophobicContact CE2-CG 4.46Å; F151-Y156 AromaticContact CZ-CD1 3.53Å; F151-Y156 HydrophobicContact CZ-CD1 3.53Å; F151-Y156 HydrophobicContact CZ-CE1 4Å; F151-Y156 AromaticContact CZ-CG 3.9Å; F151-Y156 HydrophobicContact CZ-CG 3.9Å; P153-Y156 WeakPolarHBondContact O-CB 3.36Å; P153-Y156 PolarHBondContact O-N 3.35Å; Y156-S158 WeakPolarHBondContact CD2-O 3.37Å; Y156-S158 WeakPolarHBondContact CE2-O 3.21Å; Y156-S158 PolarHBondContact O-N 2.94Å; Y156-A161 HydrophobicContact CD2-CB 4.18Å; Y156-C163 HydrophobicContact CD2-CB 3.83Å; Y156-C163 WeakPolarHBondContact CD2-SG 3.33Å; Y156-C163 HydrophobicContact CG-CB 4.1Å; Y156-P175 HydrophobicContact CE2-CG 3.76Å; Y156-W201 HydrophobicContact CE1-CZ2 4.4Å; Y156-F227 HydrophobicContact CD1-CD1 4.3Å; Y156-F227 AromaticContact CD1-CD2 3.84Å; Y156-F227 HydrophobicContact CD1-CD2 3.84Å; Y156-F227 AromaticContact CD1-CE1 3.82Å; Y156-F227 HydrophobicContact CD1-CE1 3.82Å; Y156-F227 AromaticContact CD1-CE2 3.32Å; Y156-F227 HydrophobicContact CD1-CE2 3.32Å; Y156-F227 HydrophobicContact CD1-CG 4.32Å; Y156-F227 AromaticContact CD1-CZ 3.3Å; Y156-F227 HydrophobicContact CD1-CZ 3.3Å; Y156-F227 HydrophobicContact CE1-CB 4.44Å; Y156-F227 AromaticContact CE1-CD1 3.51Å; Y156-F227 HydrophobicContact CE1-CD1 3.51Å; Y156-F227 AromaticContact CE1-CD2 3.39Å; Y156-F227 HydrophobicContact CE1-CD2 3.39Å; Y156-F227 AromaticContact CE1-CE1 3.46Å; Y156-F227 HydrophobicContact CE1-CE1 3.46Å; Y156-F227 VanDerWaalsContact CE1-CE1 3.46Å; Y156-F227 AromaticContact CE1-CE2 3.37Å; Y156-F227 HydrophobicContact CE1-CE2 3.37Å; Y156-F227 AromaticContact CE1-CG 3.48Å; Y156-F227 HydrophobicContact CE1-CG 3.48Å; Y156-F227 VanDerWaalsContact CE1-CG 3.48Å; Y156-F227 AromaticContact CE1-CZ 3.4Å; Y156-F227 HydrophobicContact CE1-CZ 3.4Å; Y156-F227 HydrophobicContact CG-CE2 4.48Å; Y156-F227 HydrophobicContact CG-CZ 4.15Å; Y156-F227 AromaticContact CZ-CD1 3.86Å; Y156-F227 AromaticContact CZ-CE1 3.9Å | ||
| 157 | N | 75.3 | Confident | 87.7 | Confident | 140 Ų | 140 | 57.5 Ų | 57.5 | 75% | 0.749 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -71.9 | -11.9 | -179 | 70.8 | 13.3 | 0 | 0 | 0 | 114.9 | R155 A161 | R155-N157 VanDerWaalsContact C-N 3.33Å; R155-N157 PolarHBondContact O-N 3.02Å; R155-N157 VanDerWaalsContact O-N 3.13Å; N157-A161 WeakPolarHBondContact OD1-CB 3.5Å |
| 158 | S | 74.4 | Confident | 87.7 | Confident | 49 Ų | 49 | 62.5 Ų | 62.5 | 34% | 0.343 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -164 | 159.1 | -175.4 | 61.4 | 0 | 0 | 0 | 0 | 111.2 | Y156 R160 A161 | Y156-S158 WeakPolarHBondContact CD2-O 3.37Å; Y156-S158 WeakPolarHBondContact CE2-O 3.21Å; Y156-S158 PolarHBondContact O-N 2.94Å; S158-R160 PolarHBondContact O-N 3.32Å; S158-A161 VanDerWaalsContact O-CB 3.25Å; S158-A161 WeakPolarHBondContact O-CB 3.34Å; S158-A161 PolarHBondContact O-N 3.35Å; S158-A161 PolarHBondContact OG-N 3.35Å |
| 159 | S | 76.4 | Confident | 87.7 | Confident | 69 Ų | 69 | 59.3 Ų | 59.3 | 48% | 0.483 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -15.7 | 178 | 58.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 160 | R | 83.8 | Confident | 87.7 | Confident | 207 Ų | 207 | 63.4 Ų | 63.4 | 78% | 0.781 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | -6.2 | 176.6 | -70.2 | 173.7 | 168.9 | 77.1 | -5.2 | 113.6 | S158 | S158-R160 PolarHBondContact O-N 3.32Š|
| 161 | A | 87.8 | Confident | 87.7 | Confident | 12 Ų | 12 | 66 Ų | 66 | 10% | 0.099 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -61.1 | 142.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R155 Y156 N157 S158 C163 S174 | R155-A161 WeakPolarHBondContact O-CB 3.35Å; Y156-A161 HydrophobicContact CD2-CB 4.18Å; N157-A161 WeakPolarHBondContact OD1-CB 3.5Å; S158-A161 VanDerWaalsContact O-CB 3.25Å; S158-A161 WeakPolarHBondContact O-CB 3.34Å; S158-A161 PolarHBondContact O-N 3.35Å; S158-A161 PolarHBondContact OG-N 3.35Å; A161-C163 VanDerWaalsContact C-N 3.25Å; A161-C163 PolarHBondContact O-N 2.84Å; A161-S174 WeakPolarHBondContact O-CA 3.48Å; A161-S174 WeakPolarHBondContact O-CB 3.32Å |
| 162 | K | 92.1 | Very high | 87.8 | Confident | 146 Ų | 146 | 70 Ų | 70 | 64% | 0.635 | 35% | 0.351 | S | S | * | . | trans | -83.9 | 64.1 | -178.3 | -55.5 | 179.2 | -176.8 | 172.7 | 0 | 110.8 | Y172 F173 | K162-Y172 WeakPolarHBondContact O-CD1 3.33Å; K162-F173 CarbonylContact C-O 3.55Å; K162-F173 VanDerWaalsContact C-O 3.31Å; K162-F173 WeakPolarHBondContact CA-O 3.2Å | ||
| 163 | C | 90.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | trans | -84.8 | -15.4 | -172.3 | 64.1 | 0 | 0 | 0 | 0 | 115.5 | F151 I152 R155 Y156 A161 F173 | F151-C163 VanDerWaalsContact CE2-SG 3.55Å; I152-C163 PolarHBondContact N-O 2.99Å; R155-C163 HydrophobicContact CB-CB 4.4Å; Y156-C163 HydrophobicContact CD2-CB 3.83Å; Y156-C163 WeakPolarHBondContact CD2-SG 3.33Å; Y156-C163 HydrophobicContact CG-CB 4.1Å; A161-C163 VanDerWaalsContact C-N 3.25Å; A161-C163 PolarHBondContact O-N 2.84Å; C163-F173 PolarHBondContact N-O 3.49Å; C163-F173 VanDerWaalsContact N-O 3.16Å | ||
| 164 | I | 93.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 118.8 | 179.5 | -51.9 | -179.1 | 0 | 0 | 0 | 109.7 | V139 N150 F151 Y172 F173 P175 F178 L205 | V139-I164 HydrophobicContact CG2-CG2 4.22Å; N150-I164 WeakPolarHBondContact O-CA 3.25Å; F151-I164 HydrophobicContact CB-CG1 4.15Å; F151-I164 HydrophobicContact CD2-CD1 3.96Å; F151-I164 HydrophobicContact CD2-CG1 3.64Å; F151-I164 HydrophobicContact CG-CG1 4.28Å; I164-Y172 CarbonylContact O-C 3.36Å; I164-Y172 VanDerWaalsContact O-CA 3.31Å; I164-Y172 WeakPolarHBondContact O-CA 3.46Å; I164-F173 PolarHBondContact N-O 2.95Å; I164-F173 PolarHBondContact O-N 2.61Å; I164-P175 HydrophobicContact CD1-CB 4.19Å; I164-P175 HydrophobicContact CD1-CG 4.2Å; I164-F178 HydrophobicContact CB-CB 4.5Å; I164-F178 HydrophobicContact CB-CD2 4.49Å; I164-F178 HydrophobicContact CB-CG 4.27Å; I164-F178 HydrophobicContact CD1-CB 3.87Å; I164-F178 HydrophobicContact CD1-CD1 3.69Å; I164-F178 HydrophobicContact CD1-CG 3.92Å; I164-F178 HydrophobicContact CG2-CD1 3.88Å; I164-F178 HydrophobicContact CG2-CD2 3.9Å; I164-F178 HydrophobicContact CG2-CE1 3.95Å; I164-F178 HydrophobicContact CG2-CE2 3.98Å; I164-F178 HydrophobicContact CG2-CG 3.86Å; I164-F178 HydrophobicContact CG2-CZ 4.01Å; I164-L205 HydrophobicContact CD1-CD2 3.6Å |
| 165 | K | 94.6 | Very high | 88.5 | Confident | 67 Ų | 67 | 65.7 Ų | 65.7 | 29% | 0.291 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 116.1 | 169.9 | -170.8 | -166.4 | 173.8 | -160.7 | 0 | 109.3 | G149 N150 N170 Y172 | G149-K165 CarbonylContact C-O 3.51Å; G149-K165 WeakPolarHBondContact CA-O 3.4Å; N150-K165 PolarHBondContact N-O 3.03Å; N150-K165 PolarHBondContact O-N 3.24Å; K165-N170 WeakPolarHBondContact CE-OD1 3.47Å; K165-N170 WeakPolarHBondContact CG-O 3.49Å; K165-N170 PolarHBondContact NZ-OD1 3.26Å; K165-Y172 HydrophobicContact CB-CD1 3.91Å; K165-Y172 HydrophobicContact CB-CE1 3.69Å; K165-Y172 HydrophobicContact CD-CE1 4.49Å; K165-Y172 HydrophobicContact CG-CD1 4.39Å; K165-Y172 HydrophobicContact CG-CE1 4.05Å; K165-Y172 HydrophobicContact CG-CE2 4.18Å |
| 166 | C | 94.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 133.9 | 174.4 | 177.9 | 0 | 0 | 0 | 0 | 110.9 | Y168 N170 M171 F173 F178 H181 | C166-Y168 VanDerWaalsContact C-N 3.31Å; C166-Y168 PolarHBondContact O-N 3.36Å; C166-Y168 PolarHBondContact SG-N 2.98Å; C166-Y168 VanDerWaalsContact SG-N 3.43Å; C166-N170 WeakPolarHBondContact O-CA 3.32Å; C166-N170 PolarHBondContact O-N 3.35Å; C166-M171 PolarHBondContact N-O 2.69Å; C166-F173 HydrophobicContact CB-CD2 4.15Å; C166-F173 HydrophobicContact CB-CE2 3.87Å; C166-F178 HydrophobicContact CB-CE2 4.06Å; C166-H181 PolarHBondContact SG-NE2 3.44Å |
| 167 | S | 94.1 | Very high | 89.3 | Confident | 55 Ų | 55 | 67.6 Ų | 67.6 | 39% | 0.385 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -24.8 | -179.4 | -55.9 | 0 | 0 | 0 | 0 | 113.1 | R148 G149 | R148-S167 PolarHBondContact O-N 3.32Å; R148-S167 PolarHBondContact O-OG 3.05Å; G149-S167 WeakPolarHBondContact CA-OG 3.42Å |
| 168 | Y | 91.5 | Very high | 90 | Very high | 110 Ų | 110 | 60.9 Ų | 60.9 | 43% | 0.431 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -48.2 | -177.1 | -58.7 | -68.2 | 0 | 0 | 0 | 113.5 | R148 C166 H183 T185 | R148-Y168 HydrophobicContact CB-CE2 4.3Å; C166-Y168 VanDerWaalsContact C-N 3.31Å; C166-Y168 PolarHBondContact O-N 3.36Å; C166-Y168 PolarHBondContact SG-N 2.98Å; C166-Y168 VanDerWaalsContact SG-N 3.43Å; Y168-H183 HydrophobicContact CD2-CB 3.67Å; Y168-H183 AromaticContact CD2-CD2 3.84Å; Y168-H183 AromaticContact CD2-CG 3.82Å; Y168-H183 HydrophobicContact CE2-CB 4.18Å; Y168-H183 HydrophobicContact CG-CB 3.89Å; Y168-H183 AromaticContact CG-CG 3.82Å; Y168-T185 HydrophobicContact CE1-CG2 3.8Å |
| 169 | C | 93.1 | Very high | 90.7 | Very high | 43 Ų | 43 | 58.9 Ų | 58.9 | 29% | 0.291 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 0 | -179 | 67.8 | 0 | 0 | 0 | 0 | 114.5 | M171 H181 | C169-M171 HydrophobicContact CB-CG 4.44Å; C169-M171 PolarHBondContact O-N 3.14Å; C169-H181 PolarHBondContact SG-CE1 2.68Å; C169-H181 PolarHBondContact SG-NE2 3.38Å |
| 170 | N | 93.7 | Very high | 91.2 | Very high | 87 Ų | 87 | 61 Ų | 61 | 47% | 0.465 | 28% | 0.283 | S | S | . | . | trans | 58.8 | -1.4 | -175.1 | -70.7 | -81.2 | 0 | 0 | 0 | 116.4 | K165 C166 | K165-N170 WeakPolarHBondContact CE-OD1 3.47Å; K165-N170 WeakPolarHBondContact CG-O 3.49Å; K165-N170 PolarHBondContact NZ-OD1 3.26Å; C166-N170 WeakPolarHBondContact O-CA 3.32Å; C166-N170 PolarHBondContact O-N 3.35Å | ||
| 171 | M | 93.2 | Very high | 91.6 | Very high | 121 Ų | 121 | 52.8 Ų | 52.8 | 60% | 0.596 | 25% | 0.253 | S | S | * | . | trans | -73.4 | 148.5 | -180 | -64.8 | -65.4 | -81.9 | 0 | 0 | 112.1 | C166 C169 F173 | C166-M171 PolarHBondContact N-O 2.69Å; C169-M171 HydrophobicContact CB-CG 4.44Å; C169-M171 PolarHBondContact O-N 3.14Å; M171-F173 HydrophobicContact CB-CE2 3.61Å; M171-F173 HydrophobicContact CB-CZ 3.75Å; M171-F173 VanDerWaalsContact O-CD2 3.3Å; M171-F173 WeakPolarHBondContact O-CD2 3.45Å; M171-F173 WeakPolarHBondContact O-CE2 3.2Å | ||
| 172 | Y | 94.1 | Very high | 91.7 | Very high | 83 Ų | 83 | 53.8 Ų | 53.8 | 33% | 0.325 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 130.4 | 179.4 | -68.7 | -97.8 | 0 | 0 | 0 | 112.1 | I152 R155 K162 I164 K165 | I152-Y172 HydrophobicContact CD1-CE1 4.17Å; R155-Y172 VanDerWaalsContact NH1-CE1 3.27Å; R155-Y172 VanDerWaalsContact NH1-CZ 3.31Å; R155-Y172 PolarHBondContact NH1-OH 3.37Å; K162-Y172 WeakPolarHBondContact O-CD1 3.33Å; I164-Y172 CarbonylContact O-C 3.36Å; I164-Y172 VanDerWaalsContact O-CA 3.31Å; I164-Y172 WeakPolarHBondContact O-CA 3.46Å; K165-Y172 HydrophobicContact CB-CD1 3.91Å; K165-Y172 HydrophobicContact CB-CE1 3.69Å; K165-Y172 HydrophobicContact CD-CE1 4.49Å; K165-Y172 HydrophobicContact CG-CD1 4.39Å; K165-Y172 HydrophobicContact CG-CE1 4.05Å; K165-Y172 HydrophobicContact CG-CE2 4.18Å |
| 173 | F | 93.4 | Very high | 91.6 | Very high | 24 Ų | 24 | 49.5 Ų | 49.5 | 11% | 0.105 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 155.4 | -177.6 | -59.8 | -83.6 | 0 | 0 | 0 | 111.4 | K162 C163 I164 C166 M171 K177 F178 H181 | K162-F173 CarbonylContact C-O 3.55Å; K162-F173 VanDerWaalsContact C-O 3.31Å; K162-F173 WeakPolarHBondContact CA-O 3.2Å; C163-F173 PolarHBondContact N-O 3.49Å; C163-F173 VanDerWaalsContact N-O 3.16Å; I164-F173 PolarHBondContact N-O 2.95Å; I164-F173 PolarHBondContact O-N 2.61Å; C166-F173 HydrophobicContact CB-CD2 4.15Å; C166-F173 HydrophobicContact CB-CE2 3.87Å; M171-F173 HydrophobicContact CB-CE2 3.61Å; M171-F173 HydrophobicContact CB-CZ 3.75Å; M171-F173 VanDerWaalsContact O-CD2 3.3Å; M171-F173 WeakPolarHBondContact O-CD2 3.45Å; M171-F173 WeakPolarHBondContact O-CE2 3.2Å; F173-K177 HydrophobicContact CB-CB 4.49Å; F173-K177 HydrophobicContact CD1-CB 4.47Å; F173-K177 HydrophobicContact CD1-CD 3.92Å; F173-K177 HydrophobicContact CD1-CG 3.9Å; F173-K177 HydrophobicContact CE1-CD 4.5Å; F173-F178 HydrophobicContact CB-CB 4.02Å; F173-F178 HydrophobicContact CB-CD2 4.4Å; F173-F178 HydrophobicContact CD2-CD2 4.22Å; F173-H181 HydrophobicContact CD1-CB 4.47Å; F173-H181 AromaticContact CD2-CD2 3.69Å; F173-H181 HydrophobicContact CE1-CB 4.29Å; F173-H181 AromaticContact CE1-CG 3.91Å; F173-H181 AromaticContact CE2-CD2 3.16Å; F173-H181 WeakPolarHBondContact CE2-CD2 3.44Å; F173-H181 AromaticContact CE2-CE1 3.9Å; F173-H181 AromaticContact CE2-CG 3.66Å; F173-H181 AromaticContact CE2-NE2 3.32Å; F173-H181 VanDerWaalsContact CE2-NE2 3.32Å; F173-H181 WeakPolarHBondContact CE2-NE2 3.3Å; F173-H181 HydrophobicContact CZ-CB 4.33Å; F173-H181 AromaticContact CZ-CD2 3.49Å; F173-H181 VanDerWaalsContact CZ-CD2 3.49Å; F173-H181 WeakPolarHBondContact CZ-CD2 3.38Å; F173-H181 AromaticContact CZ-CE1 3.66Å; F173-H181 AromaticContact CZ-CG 3.49Å; F173-H181 VanDerWaalsContact CZ-CG 3.49Å; F173-H181 AromaticContact CZ-ND1 3.61Å; F173-H181 AromaticContact CZ-NE2 3.59Å |
| 174 | S | 90.8 | Very high | 91.4 | Very high | 19 Ų | 19 | 58.7 Ų | 58.7 | 13% | 0.133 | 28% | 0.276 | C | S | . | . | trans | -80.6 | 158.6 | 164.9 | 63.1 | 0 | 0 | 0 | 0 | 110.4 | A161 N176 K177 F178 | A161-S174 WeakPolarHBondContact O-CA 3.48Å; A161-S174 WeakPolarHBondContact O-CB 3.32Å; S174-N176 VanDerWaalsContact C-N 3.3Å; S174-N176 PolarHBondContact O-N 3.37Å; S174-K177 CarbonylContact O-C 3.54Å; S174-K177 WeakPolarHBondContact O-CA 3.38Å; S174-K177 PolarHBondContact O-N 2.9Å; S174-F178 PolarHBondContact O-N 3.24Å | ||
| 175 | P | 89.1 | Confident | 90.7 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.2 | -39 | -175 | -27.4 | 37 | 0 | 0 | 0 | 113.8 | F151 Y156 I164 K177 F178 I179 W201 | F151-P175 HydrophobicContact CE2-CG 4.03Å; Y156-P175 HydrophobicContact CE2-CG 3.76Å; I164-P175 HydrophobicContact CD1-CB 4.19Å; I164-P175 HydrophobicContact CD1-CG 4.2Å; P175-K177 VanDerWaalsContact C-N 3.33Å; P175-K177 PolarHBondContact O-N 3.42Å; P175-F178 PolarHBondContact O-N 2.88Å; P175-I179 PolarHBondContact O-N 2.62Å; P175-W201 HydrophobicContact CB-CB 4.44Å; P175-W201 HydrophobicContact CB-CD2 3.41Å; P175-W201 VanDerWaalsContact CB-CD2 3.41Å; P175-W201 HydrophobicContact CB-CE3 3.57Å; P175-W201 HydrophobicContact CB-CG 3.85Å; P175-W201 HydrophobicContact CB-CH2 4.22Å; P175-W201 HydrophobicContact CB-CZ2 4.08Å; P175-W201 HydrophobicContact CB-CZ3 3.99Å; P175-W201 HydrophobicContact CG-CD2 4.45Å; P175-W201 HydrophobicContact CG-CE3 4.49Å; P175-W201 HydrophobicContact CG-CH2 4.33Å; P175-W201 HydrophobicContact CG-CZ2 4.28Å; P175-W201 HydrophobicContact CG-CZ3 4.44Å |
| 176 | N | 87.8 | Confident | 89.7 | Confident | 58 Ų | 58 | 63.1 Ų | 63.1 | 31% | 0.31 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.8 | -28.4 | 173.3 | -81.5 | 13.5 | 0 | 0 | 0 | 113.7 | S174 I179 F180 | S174-N176 VanDerWaalsContact C-N 3.3Å; S174-N176 PolarHBondContact O-N 3.37Å; N176-I179 WeakPolarHBondContact O-CG1 3.43Å; N176-F180 WeakPolarHBondContact O-CD2 3.12Å; N176-F180 WeakPolarHBondContact O-CE2 3.45Å |
| 177 | K | 90.3 | Very high | 88.7 | Confident | 129 Ų | 129 | 70.4 Ų | 70.4 | 56% | 0.561 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -86 | -30.3 | 177.1 | -169.2 | 172 | 176.9 | 178.6 | 0 | 111.9 | F173 S174 P175 F180 | F173-K177 HydrophobicContact CB-CB 4.49Å; F173-K177 HydrophobicContact CD1-CB 4.47Å; F173-K177 HydrophobicContact CD1-CD 3.92Å; F173-K177 HydrophobicContact CD1-CG 3.9Å; F173-K177 HydrophobicContact CE1-CD 4.5Å; S174-K177 CarbonylContact O-C 3.54Å; S174-K177 WeakPolarHBondContact O-CA 3.38Å; S174-K177 PolarHBondContact O-N 2.9Å; P175-K177 VanDerWaalsContact C-N 3.33Å; P175-K177 PolarHBondContact O-N 3.42Å; K177-F180 PolarHBondContact O-N 3Å |
| 178 | F | 90.9 | Very high | 88 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.2 | -41.8 | -179.3 | -174.1 | -117.6 | 0 | 0 | 0 | 112.1 | H141 I164 C166 F173 S174 P175 F180 H181 L205 | H141-F178 AromaticContact CD2-CD1 3.88Å; H141-F178 AromaticContact CD2-CE1 3.73Å; H141-F178 PolarHBondContact NE2-O 3.47Å; I164-F178 HydrophobicContact CB-CB 4.5Å; I164-F178 HydrophobicContact CB-CD2 4.49Å; I164-F178 HydrophobicContact CB-CG 4.27Å; I164-F178 HydrophobicContact CD1-CB 3.87Å; I164-F178 HydrophobicContact CD1-CD1 3.69Å; I164-F178 HydrophobicContact CD1-CG 3.92Å; I164-F178 HydrophobicContact CG2-CD1 3.88Å; I164-F178 HydrophobicContact CG2-CD2 3.9Å; I164-F178 HydrophobicContact CG2-CE1 3.95Å; I164-F178 HydrophobicContact CG2-CE2 3.98Å; I164-F178 HydrophobicContact CG2-CG 3.86Å; I164-F178 HydrophobicContact CG2-CZ 4.01Å; C166-F178 HydrophobicContact CB-CE2 4.06Å; F173-F178 HydrophobicContact CB-CB 4.02Å; F173-F178 HydrophobicContact CB-CD2 4.4Å; F173-F178 HydrophobicContact CD2-CD2 4.22Å; S174-F178 PolarHBondContact O-N 3.24Å; P175-F178 PolarHBondContact O-N 2.88Å; F178-F180 PolarHBondContact O-N 2.89Å; F178-H181 WeakPolarHBondContact O-CA 3.34Å; F178-H181 WeakPolarHBondContact O-CB 3.24Å; F178-H181 PolarHBondContact O-N 2.94Å; F178-L205 HydrophobicContact CD1-CD1 3.7Å; F178-L205 HydrophobicContact CE1-CD1 3.65Å |
| 179 | I | 89.4 | Confident | 87.3 | Confident | 7 Ų | 7 | 72 Ų | 72 | 4% | 0.036 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -13 | 179.1 | 59.5 | 167.3 | 0 | 0 | 0 | 115.5 | P175 N176 W201 H204 | P175-I179 PolarHBondContact O-N 2.62Å; N176-I179 WeakPolarHBondContact O-CG1 3.43Å; I179-W201 HydrophobicContact CD1-CB 4.16Å; I179-W201 HydrophobicContact CG2-CB 4.13Å; I179-H204 HydrophobicContact CG2-CB 4.21Å |
| 180 | F | 87.2 | Confident | 86.8 | Confident | 112 Ų | 112 | 75.5 Ų | 75.5 | 49% | 0.491 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -5.3 | 171.8 | -63.2 | -81.3 | 0 | 0 | 0 | 113.1 | N176 K177 F178 S182 F198 | N176-F180 WeakPolarHBondContact O-CD2 3.12Å; N176-F180 WeakPolarHBondContact O-CE2 3.45Å; K177-F180 PolarHBondContact O-N 3Å; F178-F180 PolarHBondContact O-N 2.89Å; F180-S182 PolarHBondContact O-N 2.86Å; F180-F198 AromaticContact CE1-CD1 3.72Å; F180-F198 HydrophobicContact CE1-CD1 3.72Å; F180-F198 AromaticContact CE1-CE1 3.45Å; F180-F198 HydrophobicContact CE1-CE1 3.45Å; F180-F198 VanDerWaalsContact CE1-CE1 3.45Å; F180-F198 HydrophobicContact CE1-CG 4.45Å; F180-F198 AromaticContact CE1-CZ 3.99Å; F180-F198 HydrophobicContact CE1-CZ 3.99Å; F180-F198 HydrophobicContact CE2-CD1 4.36Å; F180-F198 HydrophobicContact CZ-CB 4.19Å; F180-F198 AromaticContact CZ-CD1 3.32Å; F180-F198 HydrophobicContact CZ-CD1 3.32Å; F180-F198 HydrophobicContact CZ-CD2 4.34Å; F180-F198 AromaticContact CZ-CE1 3.57Å; F180-F198 HydrophobicContact CZ-CE1 3.57Å; F180-F198 AromaticContact CZ-CG 3.73Å; F180-F198 HydrophobicContact CZ-CG 3.73Å; F180-F198 HydrophobicContact CZ-CZ 4.17Å |
| 181 | H | 90.9 | Very high | 86.1 | Confident | 35 Ų | 35 | 74.3 Ų | 74.3 | 16% | 0.162 | 36% | 0.355 | C | S | . | . | trans | -99.6 | 76 | -174.7 | 172.7 | 55.8 | 0 | 0 | 0 | 110.4 | S147 C166 C169 F173 F178 H183 | S147-H181 WeakPolarHBondContact CB-O 3.04Å; S147-H181 PolarHBondContact OG-O 3.09Å; C166-H181 PolarHBondContact SG-NE2 3.44Å; C169-H181 PolarHBondContact SG-CE1 2.68Å; C169-H181 PolarHBondContact SG-NE2 3.38Å; F173-H181 HydrophobicContact CD1-CB 4.47Å; F173-H181 AromaticContact CD2-CD2 3.69Å; F173-H181 HydrophobicContact CE1-CB 4.29Å; F173-H181 AromaticContact CE1-CG 3.91Å; F173-H181 AromaticContact CE2-CD2 3.16Å; F173-H181 WeakPolarHBondContact CE2-CD2 3.44Å; F173-H181 AromaticContact CE2-CE1 3.9Å; F173-H181 AromaticContact CE2-CG 3.66Å; F173-H181 AromaticContact CE2-NE2 3.32Å; F173-H181 VanDerWaalsContact CE2-NE2 3.32Å; F173-H181 WeakPolarHBondContact CE2-NE2 3.3Å; F173-H181 HydrophobicContact CZ-CB 4.33Å; F173-H181 AromaticContact CZ-CD2 3.49Å; F173-H181 VanDerWaalsContact CZ-CD2 3.49Å; F173-H181 WeakPolarHBondContact CZ-CD2 3.38Å; F173-H181 AromaticContact CZ-CE1 3.66Å; F173-H181 AromaticContact CZ-CG 3.49Å; F173-H181 VanDerWaalsContact CZ-CG 3.49Å; F173-H181 AromaticContact CZ-ND1 3.61Å; F173-H181 AromaticContact CZ-NE2 3.59Å; F178-H181 WeakPolarHBondContact O-CA 3.34Å; F178-H181 WeakPolarHBondContact O-CB 3.24Å; F178-H181 PolarHBondContact O-N 2.94Å; H181-H183 AromaticContact CE1-CD2 3.6Å; H181-H183 AromaticContact CE1-NE2 3.15Å; H181-H183 PolarHBondContact CE1-NE2 2.77Å; H181-H183 AromaticContact NE2-CD2 3.58Å; H181-H183 AromaticContact NE2-NE2 3.3Å; H181-H183 PolarHBondContact NE2-NE2 3.03Å | ||
| 182 | S | 90.1 | Very high | 85.1 | Confident | 34 Ų | 34 | 76.3 Ų | 76.3 | 24% | 0.238 | 36% | 0.363 | C | S | . | . | trans | -91.3 | 150 | 178.8 | 63.8 | 0 | 0 | 0 | 0 | 113.7 | G146 F180 | G146-S182 CarbonylContact O-C 3.52Å; G146-S182 WeakPolarHBondContact O-CA 3.5Å; G146-S182 VanDerWaalsContact O-CB 3.24Å; G146-S182 WeakPolarHBondContact O-CB 3.48Å; F180-S182 PolarHBondContact O-N 2.86Å | ||
| 183 | H | 90.1 | Very high | 83.8 | Confident | 56 Ų | 56 | 74.3 Ų | 74.3 | 26% | 0.259 | 36% | 0.36 | S | S | . | . | trans | -116.6 | 143 | 169.3 | -82 | -99.1 | 0 | 0 | 0 | 110.3 | W145 G146 Y168 H181 T185 | W145-H183 WeakPolarHBondContact CB-O 3.19Å; G146-H183 PolarHBondContact O-N 3.35Å; Y168-H183 HydrophobicContact CD2-CB 3.67Å; Y168-H183 AromaticContact CD2-CD2 3.84Å; Y168-H183 AromaticContact CD2-CG 3.82Å; Y168-H183 HydrophobicContact CE2-CB 4.18Å; Y168-H183 HydrophobicContact CG-CB 3.89Å; Y168-H183 AromaticContact CG-CG 3.82Å; H181-H183 AromaticContact CE1-CD2 3.6Å; H181-H183 AromaticContact CE1-NE2 3.15Å; H181-H183 PolarHBondContact CE1-NE2 2.77Å; H181-H183 AromaticContact NE2-CD2 3.58Å; H181-H183 AromaticContact NE2-NE2 3.3Å; H181-H183 PolarHBondContact NE2-NE2 3.03Å; H183-T185 PolarHBondContact O-N 3.34Å | ||
| 184 | R | 87.7 | Confident | 82.6 | Confident | 192 Ų | 192 | 76.4 Ų | 76.4 | 73% | 0.725 | 37% | 0.372 | S | S | * | . | trans | -90.8 | 96.2 | 179.5 | -169.1 | 176.8 | -170.4 | 179.6 | 1.2 | 110.4 | W145 | W145-R184 HydrophobicContact CD2-CB 4.45Å; W145-R184 HydrophobicContact CD2-CG 4.07Å; W145-R184 HydrophobicContact CE3-CG 3.92Å; W145-R184 HydrophobicContact CG-CB 4.37Å; W145-R184 HydrophobicContact CG-CG 4.5Å; W145-R184 HydrophobicContact CZ3-CG 4.34Å | ||
| 185 | T | 77.9 | Confident | 80.9 | Confident | 33 Ų | 33 | 78.7 Ų | 78.7 | 20% | 0.202 | 39% | 0.392 | C | S | . | . | trans | -86.7 | 159.5 | 168.8 | 78.7 | 0 | 0 | 0 | 0 | 110.1 | Y168 H183 E187 S188 | Y168-T185 HydrophobicContact CE1-CG2 3.8Å; H183-T185 PolarHBondContact O-N 3.34Å; T185-E187 WeakPolarHBondContact CB-OE2 3.42Å; T185-E187 PolarHBondContact O-N 3.13Å; T185-E187 PolarHBondContact OG1-OE2 3.45Å; T185-S188 PolarHBondContact N-OG 3.26Å; T185-S188 VanDerWaalsContact N-OG 3.13Å; T185-S188 WeakPolarHBondContact O-CB 3.38Å; T185-S188 PolarHBondContact O-N 3.06Å; T185-S188 PolarHBondContact O-OG 3.03Å; T185-S188 PolarHBondContact OG1-N 2.96Å | ||
| 186 | P | 74.2 | Confident | 78.9 | Confident | 128 Ų | 128 | 83.2 Ų | 83.2 | 83% | 0.831 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -23.3 | 179.2 | 15.9 | -23.3 | 0 | 0 | 0 | 114.2 | ||
| 187 | E | 74.1 | Confident | 77.2 | Confident | 152 Ų | 152 | 83 Ų | 83 | 71% | 0.71 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -7.2 | 176.8 | -44.2 | 74.1 | -165 | 0 | 0 | 113.3 | T185 K189 | T185-E187 WeakPolarHBondContact CB-OE2 3.42Å; T185-E187 PolarHBondContact O-N 3.13Å; T185-E187 PolarHBondContact OG1-OE2 3.45Å; E187-K189 PolarHBondContact O-N 3.08Å |
| 188 | S | 78.6 | Confident | 75.5 | Confident | 23 Ų | 23 | 80.9 Ų | 80.9 | 16% | 0.161 | 42% | 0.42 | C | S | . | . | trans | -75.2 | 112.2 | -170.4 | 62.7 | 0 | 0 | 0 | 0 | 113.3 | W145 T185 | W145-S188 WeakPolarHBondContact CZ3-O 3.17Å; W145-S188 VanDerWaalsContact O-CB 3.25Å; W145-S188 WeakPolarHBondContact O-CB 3.34Å; T185-S188 PolarHBondContact N-OG 3.26Å; T185-S188 VanDerWaalsContact N-OG 3.13Å; T185-S188 WeakPolarHBondContact O-CB 3.38Å; T185-S188 PolarHBondContact O-N 3.06Å; T185-S188 PolarHBondContact O-OG 3.03Å; T185-S188 PolarHBondContact OG1-N 2.96Å | ||
| 189 | K | 77.8 | Confident | 74 | Confident | 177 Ų | 177 | 86.5 Ų | 86.5 | 77% | 0.77 | 45% | 0.449 | S | S | * | . | trans | -86.1 | 119.8 | 170.4 | -177.6 | 177.3 | 179.4 | 178 | 0 | 110.5 | E187 T191 | E187-K189 PolarHBondContact O-N 3.08Å; K189-T191 PolarHBondContact O-N 3.44Å; K189-T191 PolarHBondContact O-OG1 3.03Å | ||
| 190 | Y | 81.3 | Confident | 73.1 | Confident | 115 Ų | 115 | 87.6 Ų | 87.6 | 45% | 0.451 | 46% | 0.458 | S | S | . | . | trans | -60.3 | 120.5 | 175.9 | -175.1 | -105.3 | 0 | 0 | 0 | 111.7 | A144 W145 Q192 | A144-Y190 HydrophobicContact CB-CE2 4.01Å; A144-Y190 CarbonylContact O-C 3.51Å; A144-Y190 WeakPolarHBondContact O-CA 3.21Å; W145-Y190 HydrophobicContact CD2-CD2 4.01Å; W145-Y190 AromaticContact CE2-CD2 3.64Å; W145-Y190 HydrophobicContact CG-CD2 4.27Å; W145-Y190 AromaticContact CZ2-CD2 4Å; W145-Y190 HydrophobicContact CZ2-CD2 4Å; W145-Y190 HydrophobicContact CZ2-CG 4.24Å; W145-Y190 AromaticContact NE1-CD2 3.67Å; Y190-Q192 HydrophobicContact CE1-CG 3.89Å | ||
| 191 | T | 78.3 | Confident | 72.8 | Confident | 63 Ų | 63 | 82.4 Ų | 82.4 | 39% | 0.387 | 44% | 0.435 | S | S | . | . | B | Isolated β-bridge | trans | -122.9 | 118.8 | 179.4 | -57 | 0 | 0 | 0 | 0 | 108.8 | E142 A144 K189 P193 | E142-T191 WeakPolarHBondContact O-CB 3.43Å; A144-T191 WeakPolarHBondContact CA-O 3.39Å; A144-T191 PolarHBondContact N-O 3.42Å; A144-T191 PolarHBondContact O-N 3.43Å; K189-T191 PolarHBondContact O-N 3.44Å; K189-T191 PolarHBondContact O-OG1 3.03Å; T191-P193 WeakPolarHBondContact O-CD 3.46Å |
| 192 | Q | 73 | Confident | 72.5 | Confident | 162 Ų | 162 | 83.7 Ų | 83.7 | 76% | 0.757 | 44% | 0.438 | S | S | * | . | trans | -60.9 | 128.1 | -179.1 | -72.3 | -170.5 | -2.6 | 0 | 0 | 110.9 | Y190 | Y190-Q192 HydrophobicContact CE1-CG 3.89Š| ||
| 193 | P | 67.9 | Low | 72.1 | Confident | 42 Ų | 42 | 87.9 Ų | 87.9 | 27% | 0.273 | 45% | 0.449 | S | S | . | . | trans | -66.3 | 132.7 | 172 | -17.2 | 30.4 | 0 | 0 | 0 | 111.1 | C143 A144 T191 A195 F198 | C143-P193 HydrophobicContact CB-CB 4.25Å; C143-P193 HydrophobicContact CB-CG 4.15Å; A144-P193 HydrophobicContact CB-CG 4.47Å; T191-P193 WeakPolarHBondContact O-CD 3.46Å; P193-A195 PolarHBondContact O-N 2.96Å; P193-F198 HydrophobicContact CB-CE1 4.48Å | ||
| 194 | D | 67.5 | Low | 71.8 | Confident | 68 Ų | 68 | 86.9 Ų | 86.9 | 36% | 0.364 | 44% | 0.444 | S | S | . | . | trans | -61.5 | 102.8 | 170.1 | 168.3 | 15.7 | 0 | 0 | 0 | 110.1 | A196 R203 | D194-A196 PolarHBondContact O-N 3.18Å; D194-A196 WeakPolarHBondContact OD1-CB 3.44Å; D194-A196 PolarHBondContact OD1-N 3.14Å; D194-R203 IonicContact OD2-CZ 2.64Å; D194-R203 IonicContact OD2-NH1 3.64Å; D194-R203 IonicContact OD2-NH2 2.69Å; D194-R203 PolarHBondContact OD2-NH2 3.44Å | ||
| 195 | A | 54 | Low | 71.9 | Confident | 67 Ų | 67 | 77.9 Ų | 77.9 | 55% | 0.554 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -72.3 | -15 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | P193 N197 F198 | P193-A195 PolarHBondContact O-N 2.96Å; A195-N197 PolarHBondContact O-N 3.37Å; A195-F198 VanDerWaalsContact CA-CZ 3.41Å; A195-F198 HydrophobicContact CB-CE1 4.36Å; A195-F198 HydrophobicContact CB-CE2 4.05Å; A195-F198 HydrophobicContact CB-CZ 3.66Å; A195-F198 WeakPolarHBondContact O-CD2 3.28Å; A195-F198 VanDerWaalsContact O-CE2 3.28Å; A195-F198 WeakPolarHBondContact O-CE2 3.42Å |
| 196 | A | 48 | Very low | 72.4 | Confident | 95 Ų | 95 | 80.4 Ų | 80.4 | 79% | 0.785 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -76.7 | -10.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | D194 | D194-A196 PolarHBondContact O-N 3.18Å; D194-A196 WeakPolarHBondContact OD1-CB 3.44Å; D194-A196 PolarHBondContact OD1-N 3.14Å |
| 197 | N | 52.4 | Low | 73.1 | Confident | 53 Ų | 53 | 75.5 Ų | 75.5 | 28% | 0.283 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -142.9 | 35.5 | -163.6 | -144.7 | -23.8 | 0 | 0 | 0 | 115.7 | A195 N199 S200 R203 | A195-N197 PolarHBondContact O-N 3.37Å; N197-N199 PolarHBondContact O-N 3.35Å; N197-S200 WeakPolarHBondContact O-CB 3.32Å; N197-S200 PolarHBondContact O-N 3.01Å; N197-S200 WeakPolarHBondContact OD1-CB 3.46Å; N197-S200 PolarHBondContact OD1-OG 3.47Å; N197-R203 PolarHBondContact ND2-NH1 3.23Å |
| 198 | F | 53.3 | Low | 73.6 | Confident | 85 Ų | 85 | 69.9 Ų | 69.9 | 37% | 0.373 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -17.9 | -179.3 | -61.5 | -51.8 | 0 | 0 | 0 | 115.8 | F180 P193 A195 S200 | F180-F198 AromaticContact CE1-CD1 3.72Å; F180-F198 HydrophobicContact CE1-CD1 3.72Å; F180-F198 AromaticContact CE1-CE1 3.45Å; F180-F198 HydrophobicContact CE1-CE1 3.45Å; F180-F198 VanDerWaalsContact CE1-CE1 3.45Å; F180-F198 HydrophobicContact CE1-CG 4.45Å; F180-F198 AromaticContact CE1-CZ 3.99Å; F180-F198 HydrophobicContact CE1-CZ 3.99Å; F180-F198 HydrophobicContact CE2-CD1 4.36Å; F180-F198 HydrophobicContact CZ-CB 4.19Å; F180-F198 AromaticContact CZ-CD1 3.32Å; F180-F198 HydrophobicContact CZ-CD1 3.32Å; F180-F198 HydrophobicContact CZ-CD2 4.34Å; F180-F198 AromaticContact CZ-CE1 3.57Å; F180-F198 HydrophobicContact CZ-CE1 3.57Å; F180-F198 AromaticContact CZ-CG 3.73Å; F180-F198 HydrophobicContact CZ-CG 3.73Å; F180-F198 HydrophobicContact CZ-CZ 4.17Å; P193-F198 HydrophobicContact CB-CE1 4.48Å; A195-F198 VanDerWaalsContact CA-CZ 3.41Å; A195-F198 HydrophobicContact CB-CE1 4.36Å; A195-F198 HydrophobicContact CB-CE2 4.05Å; A195-F198 HydrophobicContact CB-CZ 3.66Å; A195-F198 WeakPolarHBondContact O-CD2 3.28Å; A195-F198 VanDerWaalsContact O-CE2 3.28Å; A195-F198 WeakPolarHBondContact O-CE2 3.42Å; F198-S200 PolarHBondContact O-N 3.47Å |
| 199 | N | 60.1 | Low | 73.7 | Confident | 117 Ų | 117 | 73 Ų | 73 | 63% | 0.626 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -6.1 | 174.9 | -150.4 | -2.3 | 0 | 0 | 0 | 112.9 | N197 R202 | N197-N199 PolarHBondContact O-N 3.35Å; N199-R202 PolarHBondContact O-NH1 3.39Å |
| 200 | S | 70.8 | Confident | 73.3 | Confident | 30 Ų | 30 | 73.3 Ų | 73.3 | 21% | 0.21 | 38% | 0.379 | C | S | . | . | trans | -102.6 | 44.1 | 179.9 | -65.8 | 0 | 0 | 0 | 0 | 113.1 | N197 F198 R202 R203 H204 | N197-S200 WeakPolarHBondContact O-CB 3.32Å; N197-S200 PolarHBondContact O-N 3.01Å; N197-S200 WeakPolarHBondContact OD1-CB 3.46Å; N197-S200 PolarHBondContact OD1-OG 3.47Å; F198-S200 PolarHBondContact O-N 3.47Å; S200-R202 PolarHBondContact O-N 3.12Å; S200-R203 WeakPolarHBondContact O-CB 3.44Å; S200-R203 PolarHBondContact O-N 2.81Å; S200-H204 PolarHBondContact O-CD2 3.5Å; S200-H204 VanDerWaalsContact O-CD2 3.27Å | ||
| 201 | W | 81.9 | Confident | 72.5 | Confident | 4 Ų | 4 | 70.8 Ų | 70.8 | 2% | 0.015 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -44 | -35.9 | 169.9 | 66.3 | -89.8 | 0 | 0 | 0 | 113 | F151 Y156 P175 I179 R203 H204 L205 W220 F227 | F151-W201 HydrophobicContact CE2-CH2 4.35Å; Y156-W201 HydrophobicContact CE1-CZ2 4.4Å; P175-W201 HydrophobicContact CB-CB 4.44Å; P175-W201 HydrophobicContact CB-CD2 3.41Å; P175-W201 VanDerWaalsContact CB-CD2 3.41Å; P175-W201 HydrophobicContact CB-CE3 3.57Å; P175-W201 HydrophobicContact CB-CG 3.85Å; P175-W201 HydrophobicContact CB-CH2 4.22Å; P175-W201 HydrophobicContact CB-CZ2 4.08Å; P175-W201 HydrophobicContact CB-CZ3 3.99Å; P175-W201 HydrophobicContact CG-CD2 4.45Å; P175-W201 HydrophobicContact CG-CE3 4.49Å; P175-W201 HydrophobicContact CG-CH2 4.33Å; P175-W201 HydrophobicContact CG-CZ2 4.28Å; P175-W201 HydrophobicContact CG-CZ3 4.44Å; I179-W201 HydrophobicContact CD1-CB 4.16Å; I179-W201 HydrophobicContact CG2-CB 4.13Å; W201-R203 PolarHBondContact O-N 3.22Å; W201-R203 VanDerWaalsContact O-N 3.12Å; W201-H204 PolarHBondContact O-N 2.91Å; W201-L205 HydrophobicContact CE3-CB 4.25Å; W201-L205 HydrophobicContact CE3-CD2 3.82Å; W201-L205 HydrophobicContact CZ3-CD2 3.91Å; W201-L205 WeakPolarHBondContact O-CB 3.46Å; W201-L205 PolarHBondContact O-N 2.91Å; W201-W220 HydrophobicContact CZ3-CH2 4.16Å; W201-F227 HydrophobicContact CZ2-CB 4.45Å |
| 202 | R | 82.9 | Confident | 72.3 | Confident | 62 Ų | 62 | 68.3 Ų | 68.3 | 23% | 0.234 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -55.4 | -21.7 | 175.1 | -55.5 | 170.6 | -157.5 | 72.3 | -0.2 | 115.2 | N199 S200 K224 F227 | N199-R202 PolarHBondContact O-NH1 3.39Å; S200-R202 PolarHBondContact O-N 3.12Å; R202-K224 HydrophobicContact CB-CG 4.4Å; R202-K224 WeakPolarHBondContact CD-O 3.33Å; R202-K224 HydrophobicContact CG-CB 4.49Å; R202-F227 PolarHBondContact NE-O 3.29Å; R202-F227 PolarHBondContact NH2-O 3.49Å |
| 203 | R | 82.3 | Confident | 72.5 | Confident | 122 Ų | 122 | 64.3 Ų | 64.3 | 46% | 0.46 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -88 | -27.1 | 173.3 | -62.1 | -173.3 | -43.3 | 158.6 | 12.1 | 112.9 | D194 N197 S200 W201 | D194-R203 IonicContact OD2-CZ 2.64Å; D194-R203 IonicContact OD2-NH1 3.64Å; D194-R203 IonicContact OD2-NH2 2.69Å; D194-R203 PolarHBondContact OD2-NH2 3.44Å; N197-R203 PolarHBondContact ND2-NH1 3.23Å; S200-R203 WeakPolarHBondContact O-CB 3.44Å; S200-R203 PolarHBondContact O-N 2.81Å; W201-R203 PolarHBondContact O-N 3.22Å; W201-R203 VanDerWaalsContact O-N 3.12Å |
| 204 | H | 84.3 | Confident | 72.9 | Confident | 35 Ų | 35 | 68.6 Ų | 68.6 | 16% | 0.162 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -99 | -22.7 | -171.4 | -60.7 | -71.6 | 0 | 0 | 0 | 112.4 | H141 I179 S200 W201 | H141-H204 WeakPolarHBondContact CA-O 3.14Å; H141-H204 WeakPolarHBondContact CB-O 3.24Å; I179-H204 HydrophobicContact CG2-CB 4.21Å; S200-H204 PolarHBondContact O-CD2 3.5Å; S200-H204 VanDerWaalsContact O-CD2 3.27Å; W201-H204 PolarHBondContact O-N 2.91Å |
| 205 | L | 88.9 | Confident | 73.2 | Confident | 3 Ų | 3 | 73 Ų | 73 | 2% | 0.016 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 111.3 | 177.4 | -166.9 | 63.6 | 0 | 0 | 0 | 110.6 | V139 I164 F178 W201 W220 | V139-L205 HydrophobicContact CB-CD1 3.75Å; V139-L205 HydrophobicContact CB-CD2 4.4Å; V139-L205 HydrophobicContact CB-CG 3.96Å; V139-L205 HydrophobicContact CG1-CG 4.43Å; V139-L205 HydrophobicContact CG2-CD1 3.84Å; V139-L205 HydrophobicContact CG2-CD2 4.23Å; V139-L205 HydrophobicContact CG2-CG 4.23Å; I164-L205 HydrophobicContact CD1-CD2 3.6Å; F178-L205 HydrophobicContact CD1-CD1 3.7Å; F178-L205 HydrophobicContact CE1-CD1 3.65Å; W201-L205 HydrophobicContact CE3-CB 4.25Å; W201-L205 HydrophobicContact CE3-CD2 3.82Å; W201-L205 HydrophobicContact CZ3-CD2 3.91Å; W201-L205 WeakPolarHBondContact O-CB 3.46Å; W201-L205 PolarHBondContact O-N 2.91Å; L205-W220 HydrophobicContact CB-CZ2 4.44Å; L205-W220 HydrophobicContact CD2-CH2 3.8Å; L205-W220 HydrophobicContact CD2-CZ2 4.03Å; L205-W220 HydrophobicContact CG-CH2 4.23Å; L205-W220 HydrophobicContact CG-CZ2 3.97Å |
| 206 | K | 88.2 | Confident | 74.5 | Confident | 86 Ų | 86 | 72.1 Ų | 72.1 | 37% | 0.374 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 166.9 | 179.4 | -56 | 176.9 | -169.5 | 175.7 | 0 | 109.4 | V139 S140 E142 | V139-K206 CarbonylContact C-O 3.31Å; V139-K206 WeakPolarHBondContact CA-O 3.33Å; V139-K206 WeakPolarHBondContact CB-O 3.28Å; S140-K206 PolarHBondContact N-O 3.43Å; S140-K206 PolarHBondContact O-N 2.95Å; E142-K206 IonicContact OE1-NZ 2.62Å; E142-K206 PolarHBondContact OE1-NZ 3.38Å; E142-K206 IonicContact OE2-NZ 2.9Å; E142-K206 PolarHBondContact OE2-NZ 2.72Å |
| 207 | L | 90 | Very high | 76.1 | Confident | 25 Ų | 25 | 71 Ų | 71 | 13% | 0.131 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 142.1 | 160.1 | -65 | 175.4 | 0 | 0 | 0 | 108.5 | F137 D138 V139 I216 M217 W220 | F137-L207 HydrophobicContact CB-CD2 3.93Å; F137-L207 HydrophobicContact CD1-CD2 3.82Å; F137-L207 HydrophobicContact CG-CD2 4.31Å; D138-L207 WeakPolarHBondContact O-CA 3.2Å; V139-L207 HydrophobicContact CG1-CD2 4.13Å; L207-I216 HydrophobicContact CD1-CG2 4.31Å; L207-M217 HydrophobicContact CD1-CG 4.21Å; L207-W220 HydrophobicContact CD1-CB 4.05Å; L207-W220 HydrophobicContact CD1-CG 4.21Å; L207-W220 HydrophobicContact CD2-CB 4.05Å; L207-W220 HydrophobicContact CD2-CD2 3.96Å; L207-W220 HydrophobicContact CD2-CG 3.7Å; L207-W220 HydrophobicContact CG-CB 4.22Å; L207-W220 HydrophobicContact CG-CD2 4.49Å; L207-W220 HydrophobicContact CG-CG 3.85Å |
| 208 | S | 84.6 | Confident | 77.4 | Confident | 34 Ų | 34 | 73.9 Ų | 73.9 | 24% | 0.238 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -79.5 | -25.4 | 179.7 | -162.8 | 0 | 0 | 0 | 0 | 112.7 | D138 R148 | D138-S208 PolarHBondContact O-N 3.09Å; D138-S208 WeakPolarHBondContact OD1-CB 3.44Å; R148-S208 WeakPolarHBondContact CD-OG 3.36Å; R148-S208 PolarHBondContact NE-OG 3.17Å |
| 209 | D | 81.1 | Confident | 78.7 | Confident | 87 Ų | 87 | 70.3 Ų | 70.3 | 47% | 0.465 | 36% | 0.361 | S | S | . | . | trans | -87.4 | 142.4 | 166.8 | -178.2 | 23.2 | 0 | 0 | 0 | 110.6 | G211 S212 | D209-G211 PolarHBondContact OD1-N 3.4Å; D209-S212 WeakPolarHBondContact OD2-CA 3.47Å; D209-S212 PolarHBondContact OD2-N 2.83Å | ||
| 210 | K | 67.9 | Low | 79.9 | Confident | 184 Ų | 184 | 65.1 Ų | 65.1 | 80% | 0.8 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -104 | -15.8 | 176.4 | -57.1 | -177.5 | -170.2 | -59.3 | 0 | 112.5 | ||
| 211 | G | 64.2 | Low | 80.4 | Confident | 63 Ų | 63 | 69 Ų | 69 | 65% | 0.649 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -93.9 | 5.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | D209 | D209-G211 PolarHBondContact OD1-N 3.4Š|
| 212 | S | 74.3 | Confident | 80.2 | Confident | 10 Ų | 10 | 72.8 Ų | 72.8 | 7% | 0.07 | 37% | 0.367 | C | S | . | . | trans | -57.9 | 134.9 | -173.8 | 62.9 | 0 | 0 | 0 | 0 | 111.3 | D209 M217 | D209-S212 WeakPolarHBondContact OD2-CA 3.47Å; D209-S212 PolarHBondContact OD2-N 2.83Å; S212-M217 VanDerWaalsContact OG-CG 3.27Å; S212-M217 WeakPolarHBondContact OG-CG 3.32Å | ||
| 213 | P | 77.3 | Confident | 80.1 | Confident | 78 Ų | 78 | 70.3 Ų | 70.3 | 51% | 0.506 | 36% | 0.359 | S | S | . | . | trans | -46.1 | 144.4 | 178.4 | -31.5 | 33.9 | 0 | 0 | 0 | 113.8 | E215 I216 M217 | P213-E215 PolarHBondContact O-N 3.32Å; P213-E215 VanDerWaalsContact O-N 3.1Å; P213-I216 HydrophobicContact CB-CG1 4.43Å; P213-I216 HydrophobicContact CG-CD1 4.35Å; P213-I216 WeakPolarHBondContact O-CA 3.38Å; P213-I216 WeakPolarHBondContact O-CB 3.15Å; P213-I216 PolarHBondContact O-N 3.4Å; P213-M217 PolarHBondContact O-N 3.06Å | ||
| 214 | M | 76.2 | Confident | 79.9 | Confident | 132 Ų | 132 | 66.3 Ų | 66.3 | 65% | 0.65 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -56.6 | -31.4 | -178.6 | -67.5 | -127.8 | -74.4 | 0 | 0 | 112.9 | M217 H218 | M214-M217 HydrophobicContact CB-CE 4.38Å; M214-M217 HydrophobicContact CG-CE 3.83Å; M214-M217 PolarHBondContact O-N 2.96Å; M214-M217 HydrophobicContact SD-CE 4.3Å; M214-H218 WeakPolarHBondContact O-CB 3.42Å; M214-H218 PolarHBondContact O-N 2.72Å; M214-H218 PolarHBondContact O-ND1 3.49Å |
| 215 | E | 75.8 | Confident | 79.3 | Confident | 161 Ų | 161 | 67.1 Ų | 67.1 | 75% | 0.752 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -60.9 | -43 | 171.5 | -174.7 | 176 | -162.7 | 0 | 0 | 112.9 | P213 H218 A219 | P213-E215 PolarHBondContact O-N 3.32Å; P213-E215 VanDerWaalsContact O-N 3.1Å; E215-H218 PolarHBondContact O-N 3Å; E215-A219 VanDerWaalsContact O-CB 3.27Å; E215-A219 WeakPolarHBondContact O-CB 3.4Å; E215-A219 PolarHBondContact O-N 2.97Å |
| 216 | I | 80.3 | Confident | 78.1 | Confident | 49 Ų | 49 | 69.5 Ų | 69.5 | 25% | 0.251 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -69.7 | -37.1 | 176.1 | -62.1 | -175.5 | 0 | 0 | 0 | 110.6 | F135 F137 L207 P213 A219 W220 | F135-I216 HydrophobicContact CE2-CD1 4.15Å; F135-I216 HydrophobicContact CZ-CD1 4.01Å; F135-I216 HydrophobicContact CZ-CG1 4.15Å; F135-I216 HydrophobicContact CZ-CG2 4.19Å; F137-I216 HydrophobicContact CD1-CG2 3.94Å; F137-I216 HydrophobicContact CE1-CG2 3.95Å; F137-I216 WeakPolarHBondContact CE1-O 3.41Å; L207-I216 HydrophobicContact CD1-CG2 4.31Å; P213-I216 HydrophobicContact CB-CG1 4.43Å; P213-I216 HydrophobicContact CG-CD1 4.35Å; P213-I216 WeakPolarHBondContact O-CA 3.38Å; P213-I216 WeakPolarHBondContact O-CB 3.15Å; P213-I216 PolarHBondContact O-N 3.4Å; I216-A219 PolarHBondContact O-N 2.92Å; I216-W220 WeakPolarHBondContact O-CB 3.44Å; I216-W220 PolarHBondContact O-N 3.05Å |
| 217 | M | 80.7 | Confident | 77 | Confident | 72 Ų | 72 | 68 Ų | 68 | 36% | 0.355 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.6 | -48.9 | 172.9 | -66.4 | -164 | -73.3 | 0 | 0 | 111.4 | L207 S212 P213 M214 A219 W220 E221 | L207-M217 HydrophobicContact CD1-CG 4.21Å; S212-M217 VanDerWaalsContact OG-CG 3.27Å; S212-M217 WeakPolarHBondContact OG-CG 3.32Å; P213-M217 PolarHBondContact O-N 3.06Å; M214-M217 HydrophobicContact CB-CE 4.38Å; M214-M217 HydrophobicContact CG-CE 3.83Å; M214-M217 PolarHBondContact O-N 2.96Å; M214-M217 HydrophobicContact SD-CE 4.3Å; M217-A219 PolarHBondContact O-N 2.82Å; M217-W220 WeakPolarHBondContact O-CB 3.27Å; M217-W220 PolarHBondContact O-N 3.44Å; M217-E221 WeakPolarHBondContact O-CG 3.43Å; M217-E221 PolarHBondContact O-N 2.79Å |
| 218 | H | 80.4 | Confident | 75.2 | Confident | 113 Ų | 113 | 70.2 Ų | 70.2 | 52% | 0.523 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 175.9 | -64.7 | 152.4 | 0 | 0 | 0 | 112.2 | M214 E215 W220 E221 D222 | M214-H218 WeakPolarHBondContact O-CB 3.42Å; M214-H218 PolarHBondContact O-N 2.72Å; M214-H218 PolarHBondContact O-ND1 3.49Å; E215-H218 PolarHBondContact O-N 3Å; H218-W220 VanDerWaalsContact C-N 3.27Å; H218-W220 PolarHBondContact O-N 3.21Å; H218-E221 CarbonylContact O-C 3.56Å; H218-E221 WeakPolarHBondContact O-CA 3.47Å; H218-E221 WeakPolarHBondContact O-CB 3.5Å; H218-E221 PolarHBondContact O-N 2.73Å; H218-E221 VanDerWaalsContact O-N 3.1Å; H218-D222 PolarHBondContact O-N 3.01Å |
| 219 | A | 81.2 | Confident | 73.6 | Confident | 10 Ų | 10 | 72 Ų | 72 | 8% | 0.083 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.8 | -32.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | L131 F137 E215 I216 M217 V223 | L131-A219 HydrophobicContact CD1-CB 4.32Å; L131-A219 HydrophobicContact CD2-CB 3.98Å; F137-A219 HydrophobicContact CE1-CB 4.09Å; F137-A219 HydrophobicContact CZ-CB 3.82Å; E215-A219 VanDerWaalsContact O-CB 3.27Å; E215-A219 WeakPolarHBondContact O-CB 3.4Å; E215-A219 PolarHBondContact O-N 2.97Å; I216-A219 PolarHBondContact O-N 2.92Å; M217-A219 PolarHBondContact O-N 2.82Å; A219-V223 WeakPolarHBondContact O-CB 3.46Å; A219-V223 WeakPolarHBondContact O-CG2 3.41Å; A219-V223 PolarHBondContact O-N 3.29Å |
| 220 | W | 84.6 | Confident | 71.8 | Confident | 7 Ų | 7 | 68.4 Ų | 68.4 | 3% | 0.027 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -72 | -37.3 | 171.4 | -178.6 | -123.1 | 0 | 0 | 0 | 112.4 | F137 V139 F151 W201 L205 L207 I216 M217 H218 V223 K224 | F137-W220 HydrophobicContact CB-CE3 4.1Å; F137-W220 HydrophobicContact CB-CZ3 4.36Å; F137-W220 HydrophobicContact CD1-CB 3.95Å; F137-W220 HydrophobicContact CD1-CD2 4.49Å; F137-W220 HydrophobicContact CD1-CE3 4.06Å; F137-W220 HydrophobicContact CD1-CG 4.49Å; F137-W220 AromaticContact CD2-CE3 3.95Å; F137-W220 HydrophobicContact CD2-CE3 3.95Å; F137-W220 HydrophobicContact CD2-CZ3 4.35Å; F137-W220 HydrophobicContact CE1-CB 3.72Å; F137-W220 HydrophobicContact CE1-CE3 4.43Å; F137-W220 HydrophobicContact CE2-CE3 4.34Å; F137-W220 AromaticContact CG-CE3 3.78Å; F137-W220 HydrophobicContact CG-CE3 3.78Å; F137-W220 HydrophobicContact CG-CZ3 4.37Å; F137-W220 HydrophobicContact CZ-CB 4.41Å; V139-W220 HydrophobicContact CG1-CE3 4.4Å; V139-W220 HydrophobicContact CG1-CH2 3.64Å; V139-W220 HydrophobicContact CG1-CZ2 3.76Å; V139-W220 HydrophobicContact CG1-CZ3 3.97Å; F151-W220 HydrophobicContact CB-CZ3 4.35Å; F151-W220 HydrophobicContact CD1-CZ3 4.08Å; F151-W220 HydrophobicContact CD2-CH2 4.11Å; F151-W220 HydrophobicContact CD2-CZ3 4.04Å; F151-W220 HydrophobicContact CE1-CZ3 4.39Å; F151-W220 HydrophobicContact CE2-CH2 4.49Å; F151-W220 HydrophobicContact CE2-CZ3 4.35Å; F151-W220 HydrophobicContact CG-CH2 4.35Å; F151-W220 AromaticContact CG-CZ3 3.92Å; F151-W220 HydrophobicContact CG-CZ3 3.92Å; W201-W220 HydrophobicContact CZ3-CH2 4.16Å; L205-W220 HydrophobicContact CB-CZ2 4.44Å; L205-W220 HydrophobicContact CD2-CH2 3.8Å; L205-W220 HydrophobicContact CD2-CZ2 4.03Å; L205-W220 HydrophobicContact CG-CH2 4.23Å; L205-W220 HydrophobicContact CG-CZ2 3.97Å; L207-W220 HydrophobicContact CD1-CB 4.05Å; L207-W220 HydrophobicContact CD1-CG 4.21Å; L207-W220 HydrophobicContact CD2-CB 4.05Å; L207-W220 HydrophobicContact CD2-CD2 3.96Å; L207-W220 HydrophobicContact CD2-CG 3.7Å; L207-W220 HydrophobicContact CG-CB 4.22Å; L207-W220 HydrophobicContact CG-CD2 4.49Å; L207-W220 HydrophobicContact CG-CG 3.85Å; I216-W220 WeakPolarHBondContact O-CB 3.44Å; I216-W220 PolarHBondContact O-N 3.05Å; M217-W220 WeakPolarHBondContact O-CB 3.27Å; M217-W220 PolarHBondContact O-N 3.44Å; H218-W220 VanDerWaalsContact C-N 3.27Å; H218-W220 PolarHBondContact O-N 3.21Å; W220-V223 HydrophobicContact CE3-CB 4.21Å; W220-V223 HydrophobicContact CE3-CG1 3.97Å; W220-V223 HydrophobicContact CZ3-CG1 3.78Å; W220-V223 PolarHBondContact O-N 3.42Å; W220-K224 HydrophobicContact CD2-CG 4.46Å; W220-K224 HydrophobicContact CZ2-CD 4.34Å; W220-K224 HydrophobicContact CZ2-CG 4.24Å; W220-K224 WeakPolarHBondContact O-CE 3.46Å; W220-K224 WeakPolarHBondContact O-CG 3.37Å; W220-K224 PolarHBondContact O-N 3.02Å |
| 221 | E | 82 | Confident | 70.4 | Confident | 111 Ų | 111 | 64.2 Ų | 64.2 | 52% | 0.519 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.4 | -46.9 | 170.9 | -61.4 | -94.6 | 100.9 | 0 | 0 | 110.8 | M217 H218 K224 A225 | M217-E221 WeakPolarHBondContact O-CG 3.43Å; M217-E221 PolarHBondContact O-N 2.79Å; H218-E221 CarbonylContact O-C 3.56Å; H218-E221 WeakPolarHBondContact O-CA 3.47Å; H218-E221 WeakPolarHBondContact O-CB 3.5Å; H218-E221 PolarHBondContact O-N 2.73Å; H218-E221 VanDerWaalsContact O-N 3.1Å; E221-K224 WeakPolarHBondContact O-CB 3.38Å; E221-K224 PolarHBondContact O-N 2.91Å; E221-K224 WeakPolarHBondContact OE1-CE 3.39Å; E221-K224 IonicContact OE1-NZ 3.28Å; E221-K224 PolarHBondContact OE1-NZ 2.83Å; E221-A225 VanDerWaalsContact O-CB 3.28Å; E221-A225 WeakPolarHBondContact O-CB 3.13Å; E221-A225 PolarHBondContact O-N 2.88Å |
| 222 | D | 78.3 | Confident | 69.3 | Low | 84 Ų | 84 | 72 Ų | 72 | 45% | 0.449 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 174.9 | -80.2 | -27.1 | 0 | 0 | 0 | 112 | H218 K224 A225 M226 | H218-D222 PolarHBondContact O-N 3.01Å; D222-K224 VanDerWaalsContact C-N 3.32Å; D222-K224 PolarHBondContact O-N 2.95Å; D222-A225 CarbonylContact O-C 3.16Å; D222-A225 WeakPolarHBondContact O-CA 3.43Å; D222-A225 PolarHBondContact O-N 3.32Å; D222-M226 WeakPolarHBondContact O-CG 3.5Å; D222-M226 PolarHBondContact O-N 3.25Å |
| 223 | V | 78.9 | Confident | 67.6 | Low | 10 Ų | 10 | 80.5 Ų | 80.5 | 6% | 0.061 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.9 | -38 | 175.1 | 163.4 | 0 | 0 | 0 | 0 | 112.1 | F137 F151 A219 W220 A225 | F137-V223 HydrophobicContact CE2-CG2 3.85Å; F137-V223 HydrophobicContact CZ-CG2 4.2Å; F151-V223 HydrophobicContact CD1-CG1 4.4Å; F151-V223 HydrophobicContact CE1-CG1 3.54Å; F151-V223 HydrophobicContact CE2-CG1 4.44Å; F151-V223 HydrophobicContact CZ-CG1 3.57Å; A219-V223 WeakPolarHBondContact O-CB 3.46Å; A219-V223 WeakPolarHBondContact O-CG2 3.41Å; A219-V223 PolarHBondContact O-N 3.29Å; W220-V223 HydrophobicContact CE3-CB 4.21Å; W220-V223 HydrophobicContact CE3-CG1 3.97Å; W220-V223 HydrophobicContact CZ3-CG1 3.78Å; W220-V223 PolarHBondContact O-N 3.42Å; V223-A225 VanDerWaalsContact C-N 3.35Å |
| 224 | K | 78.8 | Confident | 65.5 | Low | 39 Ų | 39 | 86.8 Ų | 86.8 | 17% | 0.17 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -65.5 | -38.2 | 170.7 | -70.3 | 173.4 | -63.2 | -179.2 | 0 | 111.3 | R202 W220 E221 D222 | R202-K224 HydrophobicContact CB-CG 4.4Å; R202-K224 WeakPolarHBondContact CD-O 3.33Å; R202-K224 HydrophobicContact CG-CB 4.49Å; W220-K224 HydrophobicContact CD2-CG 4.46Å; W220-K224 HydrophobicContact CZ2-CD 4.34Å; W220-K224 HydrophobicContact CZ2-CG 4.24Å; W220-K224 WeakPolarHBondContact O-CE 3.46Å; W220-K224 WeakPolarHBondContact O-CG 3.37Å; W220-K224 PolarHBondContact O-N 3.02Å; E221-K224 WeakPolarHBondContact O-CB 3.38Å; E221-K224 PolarHBondContact O-N 2.91Å; E221-K224 WeakPolarHBondContact OE1-CE 3.39Å; E221-K224 IonicContact OE1-NZ 3.28Å; E221-K224 PolarHBondContact OE1-NZ 2.83Å; D222-K224 VanDerWaalsContact C-N 3.32Å; D222-K224 PolarHBondContact O-N 2.95Å |
| 225 | A | 71.6 | Confident | 63.5 | Low | 52 Ų | 52 | 86.6 Ų | 86.6 | 43% | 0.43 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -79.1 | -33.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | E221 D222 V223 F227 N228 | E221-A225 VanDerWaalsContact O-CB 3.28Å; E221-A225 WeakPolarHBondContact O-CB 3.13Å; E221-A225 PolarHBondContact O-N 2.88Å; D222-A225 CarbonylContact O-C 3.16Å; D222-A225 WeakPolarHBondContact O-CA 3.43Å; D222-A225 PolarHBondContact O-N 3.32Å; V223-A225 VanDerWaalsContact C-N 3.35Å; A225-F227 PolarHBondContact O-N 3.1Å; A225-N228 WeakPolarHBondContact O-CB 3.25Å; A225-N228 PolarHBondContact O-N 3.21Å |
| 226 | M | 64.8 | Low | 61.3 | Low | 53 Ų | 53 | 85.6 Ų | 85.6 | 26% | 0.261 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -50.4 | -39.9 | 170.6 | -77.7 | -179.6 | 78.6 | 0 | 0 | 111.3 | P128 D222 | P128-M226 HydrophobicContact CB-CE 3.88Å; P128-M226 HydrophobicContact CB-SD 3.62Å; P128-M226 HydrophobicContact CG-CE 3.7Å; P128-M226 HydrophobicContact CG-SD 3.99Å; D222-M226 WeakPolarHBondContact O-CG 3.5Å; D222-M226 PolarHBondContact O-N 3.25Å |
| 227 | F | 63.9 | Low | 59.5 | Low | 53 Ų | 53 | 89.1 Ų | 89.1 | 23% | 0.232 | 47% | 0.467 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 13.4 | -176.8 | -68.7 | -93.1 | 0 | 0 | 0 | 113 | Y156 W201 R202 A225 G229 | Y156-F227 HydrophobicContact CD1-CD1 4.3Å; Y156-F227 AromaticContact CD1-CD2 3.84Å; Y156-F227 HydrophobicContact CD1-CD2 3.84Å; Y156-F227 AromaticContact CD1-CE1 3.82Å; Y156-F227 HydrophobicContact CD1-CE1 3.82Å; Y156-F227 AromaticContact CD1-CE2 3.32Å; Y156-F227 HydrophobicContact CD1-CE2 3.32Å; Y156-F227 HydrophobicContact CD1-CG 4.32Å; Y156-F227 AromaticContact CD1-CZ 3.3Å; Y156-F227 HydrophobicContact CD1-CZ 3.3Å; Y156-F227 HydrophobicContact CE1-CB 4.44Å; Y156-F227 AromaticContact CE1-CD1 3.51Å; Y156-F227 HydrophobicContact CE1-CD1 3.51Å; Y156-F227 AromaticContact CE1-CD2 3.39Å; Y156-F227 HydrophobicContact CE1-CD2 3.39Å; Y156-F227 AromaticContact CE1-CE1 3.46Å; Y156-F227 HydrophobicContact CE1-CE1 3.46Å; Y156-F227 VanDerWaalsContact CE1-CE1 3.46Å; Y156-F227 AromaticContact CE1-CE2 3.37Å; Y156-F227 HydrophobicContact CE1-CE2 3.37Å; Y156-F227 AromaticContact CE1-CG 3.48Å; Y156-F227 HydrophobicContact CE1-CG 3.48Å; Y156-F227 VanDerWaalsContact CE1-CG 3.48Å; Y156-F227 AromaticContact CE1-CZ 3.4Å; Y156-F227 HydrophobicContact CE1-CZ 3.4Å; Y156-F227 HydrophobicContact CG-CE2 4.48Å; Y156-F227 HydrophobicContact CG-CZ 4.15Å; Y156-F227 AromaticContact CZ-CD1 3.86Å; Y156-F227 AromaticContact CZ-CE1 3.9Å; W201-F227 HydrophobicContact CZ2-CB 4.45Å; R202-F227 PolarHBondContact NE-O 3.29Å; R202-F227 PolarHBondContact NH2-O 3.49Å; A225-F227 PolarHBondContact O-N 3.1Å; F227-G229 PolarHBondContact O-N 3.43Å |
| 228 | N | 53.6 | Low | 57 | Low | 73 Ų | 73 | 89.2 Ų | 89.2 | 39% | 0.39 | 49% | 0.487 | S | S | . | . | trans | -72.2 | 109.1 | 155.7 | -101.3 | -1.5 | 0 | 0 | 0 | 108.5 | A225 G230 | A225-N228 WeakPolarHBondContact O-CB 3.25Å; A225-N228 PolarHBondContact O-N 3.21Å; N228-G230 PolarHBondContact O-N 3Å | ||
| 229 | G | 50.4 | Low | 54.6 | Low | 70 Ų | 70 | 90.1 Ų | 90.1 | 72% | 0.722 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -67.9 | 50.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 112 | A78 F227 | A78-G229 WeakPolarHBondContact CA-O 3.31Å; A78-G229 VanDerWaalsContact CB-O 3.24Å; A78-G229 WeakPolarHBondContact CB-O 3.29Å; F227-G229 PolarHBondContact O-N 3.43Å |
| 230 | G | 43.5 | Very low | 52.3 | Low | 13 Ų | 13 | 93.7 Ų | 93.7 | 13% | 0.134 | 54% | 0.543 | C | S | . | . | S | Bend | trans | 157 | 99.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | A78 N228 R232 | A78-G230 WeakPolarHBondContact O-CA 3.29Å; N228-G230 PolarHBondContact O-N 3Å; G230-R232 PolarHBondContact O-N 2.86Å |
| 231 | S | 37.5 | Very low | 49.8 | Very low | 96 Ų | 96 | 99.3 Ų | 99.3 | 67% | 0.671 | 58% | 0.584 | S | S | * | * | trans | -73.8 | 73 | 174.5 | -169.5 | 0 | 0 | 0 | 0 | 109.6 | K233 | S231-K233 PolarHBondContact O-N 2.96Š| ||
| 232 | R | 42.5 | Very low | 47.3 | Very low | 226 Ų | 226 | 97.5 Ų | 97.5 | 85% | 0.853 | 60% | 0.595 | S | S | * | * | trans | -71.7 | 84.1 | 166.8 | -66.1 | -173.8 | -174.4 | -122 | 3.4 | 107.3 | G230 R234 | G230-R232 PolarHBondContact O-N 2.86Å; R232-R234 VanDerWaalsContact C-N 3.25Å; R232-R234 PolarHBondContact O-N 3.24Å | ||
| 233 | K | 37.3 | Very low | 45 | Very low | 189 Ų | 189 | 98.8 Ų | 98.8 | 82% | 0.822 | 61% | 0.611 | S | S | * | * | trans | -59.2 | 96.1 | 160.2 | -77.4 | -155.4 | 173.3 | -163.1 | 0 | 107.5 | S231 T235 | S231-K233 PolarHBondContact O-N 2.96Å; K233-T235 PolarHBondContact O-N 2.7Å; K233-T235 VanDerWaalsContact O-N 3.09Å | ||
| 234 | R | 33.7 | Very low | 42.6 | Very low | 210 Ų | 210 | 106 Ų | 106 | 79% | 0.792 | 65% | 0.648 | S | S | * | * | trans | -71.4 | 99.2 | 164.8 | -179.3 | -175.6 | -73 | 159.8 | -6.4 | 106.2 | R232 L236 | R232-R234 VanDerWaalsContact C-N 3.25Å; R232-R234 PolarHBondContact O-N 3.24Å; R234-L236 HydrophobicContact CG-CD2 4.05Å; R234-L236 HydrophobicContact CG-CG 4.05Å; R234-L236 PolarHBondContact O-N 3.17Å | ||
| 235 | T | 33.5 | Very low | 40.3 | Very low | 128 Ų | 128 | 109.4 Ų | 109.4 | 79% | 0.785 | 68% | 0.677 | S | S | * | * | trans | -61.8 | 100 | 162 | 45.8 | 0 | 0 | 0 | 0 | 108 | K233 | K233-T235 PolarHBondContact O-N 2.7Å; K233-T235 VanDerWaalsContact O-N 3.09Å | ||
| 236 | L | 29.3 | Very low | 39 | Very low | 140 Ų | 140 | 112.1 Ų | 112.1 | 73% | 0.733 | 69% | 0.691 | S | S | * | * | trans | -88.5 | 118.3 | 162.1 | -72.5 | 179.2 | 0 | 0 | 0 | 107.8 | R234 | R234-L236 HydrophobicContact CG-CD2 4.05Å; R234-L236 HydrophobicContact CG-CG 4.05Å; R234-L236 PolarHBondContact O-N 3.17Å | ||
| 237 | P | 43.3 | Very low | 37.3 | Very low | 122 Ų | 122 | 117.9 Ų | 117.9 | 79% | 0.792 | 72% | 0.721 | S | S | * | * | trans | -77.5 | 153.2 | 158 | 34.1 | -32 | 0 | 0 | 0 | 109.5 | ||||
| 238 | G | 28.5 | Very low | 35.8 | Very low | 75 Ų | 75 | 123.2 Ų | 123.2 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | trans | 108.8 | 95.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 239 | S | 29.5 | Very low | 34.5 | Very low | 132 Ų | 132 | 128.4 Ų | 128.4 | 92% | 0.923 | 77% | 0.772 | S | S | * | * | trans | -152.9 | 84.2 | 146.3 | -78 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 240 | G | 33.6 | Very low | 33.6 | Very low | 84 Ų | 84 | 132.4 Ų | 132.4 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | trans | -102.7 | 108.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 241 | S | 31.6 | Very low | 32.8 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 88% | 0.881 | 80% | 0.801 | S | S | * | * | trans | -165.7 | 136.5 | 162 | -164.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 242 | G | 29.7 | Very low | 33.3 | Very low | 73 Ų | 73 | 136.8 Ų | 136.8 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | cis | 151.5 | 96.5 | -0.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 243 | S | 30.1 | Very low | 32.7 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -155.2 | 106.7 | 172.6 | -165.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 244 | N | 28.6 | Very low | 32.2 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | trans | 38.3 | 138.5 | 142.8 | -57.5 | -11.8 | 0 | 0 | 0 | 122.6 | ||||
| 245 | S | 30.3 | Very low | 31.9 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -87.5 | -175.4 | 169.4 | 70.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 246 | P | 44.6 | Very low | 31.7 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | cis | -125.4 | 177.3 | 39.5 | 36.2 | -14.6 | 0 | 0 | 0 | 113 | ||||
| 247 | L | 28.7 | Very low | 31.5 | Very low | 173 Ų | 173 | 130.4 Ų | 130.4 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | -155.5 | 170 | 62.9 | -83 | 168.8 | 0 | 0 | 0 | 113.8 | |||||
| 248 | K | 31.3 | Very low | 30.7 | Very low | 166 Ų | 166 | 129.7 Ų | 129.7 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | -123.2 | 134.5 | -171.7 | 168.9 | -170.5 | 172.8 | -172.5 | 0 | 110.9 | Q250 | K248-Q250 VanDerWaalsContact CE-OE1 3.24Š| ||
| 249 | L | 27.9 | Very low | 31.6 | Very low | 182 Ų | 182 | 132.3 Ų | 132.3 | 95% | 0.953 | 80% | 0.797 | S | S | * | * | trans | -144.3 | 162.8 | 162.6 | -101.6 | 168.5 | 0 | 0 | 0 | 110.2 | ||||
| 250 | Q | 30.9 | Very low | 31.4 | Very low | 154 Ų | 154 | 134 Ų | 134 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | trans | -145.1 | 109.4 | -141.8 | -175.8 | 170.3 | -30.7 | 0 | 0 | 116.7 | K248 | K248-Q250 VanDerWaalsContact CE-OE1 3.24Š| ||
| 251 | G | 25.6 | Very low | 31.4 | Very low | 73 Ų | 73 | 136.8 Ų | 136.8 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | 77.4 | -175.4 | 156.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 252 | P | 48.3 | Very low | 31.8 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | cis | -144.8 | 160.6 | -3.8 | 43.4 | -25.7 | 0 | 0 | 0 | 118.9 | ||||
| 253 | N | 29.5 | Very low | 31.9 | Very low | 154 Ų | 154 | 136.9 Ų | 136.9 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | 88.3 | 151.6 | 139.4 | -141.9 | 0.5 | 0 | 0 | 0 | 124.4 | ||||
| 254 | R | 27.3 | Very low | 31.8 | Very low | 222 Ų | 222 | 141.3 Ų | 141.3 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | 89.6 | 138.9 | 167.4 | -71.4 | -168.5 | 167.9 | -133.6 | -3.5 | 120.6 | ||||
| 255 | S | 28.5 | Very low | 32.2 | Very low | 78 Ų | 78 | 141.3 Ų | 141.3 | 55% | 0.545 | 78% | 0.779 | S | S | . | * | cis | -178.8 | 144.2 | -33.9 | 41.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 256 | Q | 29.1 | Very low | 32 | Very low | 165 Ų | 165 | 143.8 Ų | 143.8 | 77% | 0.771 | 78% | 0.782 | S | S | * | * | trans | 78.3 | 120.5 | 152.1 | -74 | -177.6 | -95.2 | 0 | 0 | 123.9 | ||||
| 257 | D | 25.2 | Very low | 31 | Very low | 141 Ų | 141 | 144 Ų | 144 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | 82.8 | 156.9 | 121.6 | -54.8 | -13.3 | 0 | 0 | 0 | 125.7 | |||||
| 258 | S | 27 | Very low | 31.1 | Very low | 106 Ų | 106 | 141.2 Ų | 141.2 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | -137 | 157.6 | -174 | 177.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 259 | P | 46.6 | Very low | 31.2 | Very low | 131 Ų | 131 | 141.9 Ų | 141.9 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | -152.5 | -171.6 | 126.3 | 37.5 | -18.2 | 0 | 0 | 0 | 116.5 | |||||
| 260 | E | 24.3 | Very low | 31.1 | Very low | 167 Ų | 167 | 140 Ų | 140 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | trans | -106.2 | 153.7 | -164.5 | -73.1 | 177.3 | 82.7 | 0 | 0 | 118.5 | ||||
| 261 | I | 33.6 | Very low | 31.2 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | 32.2 | 129.3 | 127.1 | -53.2 | 169.1 | 0 | 0 | 0 | 119.5 | |||||
| 262 | P | 40.8 | Very low | 31.5 | Very low | 119 Ų | 119 | 144.4 Ų | 144.4 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | -155.8 | 124.6 | 105.5 | 36.2 | -14.8 | 0 | 0 | 0 | 121.2 | |||||
| 263 | A | 31.9 | Very low | 30.5 | Very low | 81 Ų | 81 | 142.3 Ų | 142.3 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | 55.5 | 144 | 122.6 | 0 | 0 | 0 | 0 | 0 | 126.5 | |||||
| 264 | K | 28.8 | Very low | 30.5 | Very low | 204 Ų | 204 | 139.2 Ų | 139.2 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | trans | -166.2 | -171.6 | 136.7 | -100.9 | 137.2 | -157.4 | 160.8 | 0 | 114 | ||||
| 265 | I | 35.2 | Very low | 30.8 | Very low | 161 Ų | 161 | 137.3 Ų | 137.3 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | -134.6 | 176.8 | -146.1 | -63.8 | 148.9 | 0 | 0 | 0 | 112.6 | ||||
| 266 | I | 27.5 | Very low | 30.9 | Very low | 163 Ų | 163 | 140 Ų | 140 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | 103.9 | 120.7 | 171.7 | -58.4 | 173.4 | 0 | 0 | 0 | 113 | ||||
| 267 | S | 22.8 | Very low | 31 | Very low | 114 Ų | 114 | 138.3 Ų | 138.3 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | cis | -156.6 | 170.9 | -4.7 | -163.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 268 | C | 31.5 | Very low | 31.5 | Very low | 114 Ų | 114 | 136 Ų | 136 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | -62.1 | 172.9 | 178.8 | -57.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 269 | E | 32.3 | Very low | 31.9 | Very low | 180 Ų | 180 | 142.6 Ų | 142.6 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | cis | 179.2 | 145.6 | -24 | 171.8 | 161.1 | 67.1 | 0 | 0 | 109.2 | ||||
| 270 | D | 27 | Very low | 31.1 | Very low | 142 Ų | 142 | 141.9 Ų | 141.9 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | trans | -169.2 | 125.2 | 135.6 | -162.6 | 34.9 | 0 | 0 | 0 | 115.4 | ||||
| 271 | T | 33 | Very low | 31.6 | Very low | 81 Ų | 81 | 143.4 Ų | 143.4 | 50% | 0.497 | 80% | 0.8 | S | S | . | * | trans | 40 | 104.1 | 142.4 | -58.8 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 272 | R | 31.8 | Very low | 31.9 | Very low | 239 Ų | 239 | 142.6 Ų | 142.6 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | 60.3 | 122.9 | 132.4 | -56.3 | 173 | -153.5 | 163.2 | 9.2 | 121.9 | ||||
| 273 | G | 26.9 | Very low | 32.1 | Very low | 83 Ų | 83 | 143.3 Ų | 143.3 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | -173.7 | 125.7 | 153.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 274 | A | 29.5 | Very low | 32.4 | Very low | 89 Ų | 89 | 146.6 Ų | 146.6 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | trans | -110.3 | 142.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 275 | M | 33 | Very low | 33.1 | Very low | 182 Ų | 182 | 142.7 Ų | 142.7 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | 168.7 | 154.5 | 123.7 | 63.4 | -167.9 | 76.8 | 0 | 0 | 113.5 | |||||
| 276 | T | 31.3 | Very low | 33.1 | Very low | 135 Ų | 135 | 141 Ų | 141 | 83% | 0.828 | 80% | 0.803 | S | S | * | * | trans | -24.8 | 135.8 | 177.1 | 46.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 277 | S | 31.8 | Very low | 33.7 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -98 | 129.9 | 166.3 | -172.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 278 | A | 34.9 | Very low | 34.2 | Very low | 94 Ų | 94 | 139.5 Ų | 139.5 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | trans | -123.2 | 144.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 279 | R | 34.8 | Very low | 34.7 | Very low | 244 Ų | 244 | 144.4 Ų | 144.4 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -73.3 | 134.8 | -172.7 | -68.3 | -179.1 | 174 | -170.3 | -1.7 | 112.4 | ||||
| 280 | S | 30.5 | Very low | 35 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | trans | -90.2 | 140.6 | 174.2 | -173.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 281 | Y | 34.3 | Very low | 35.5 | Very low | 199 Ų | 199 | 143 Ų | 143 | 78% | 0.78 | 82% | 0.817 | S | S | * | * | trans | -124.5 | 139.7 | 167.7 | -96.8 | -87.9 | 0 | 0 | 0 | 108.8 | ||||
| 282 | P | 40.9 | Very low | 35.6 | Very low | 125 Ų | 125 | 142.7 Ų | 142.7 | 81% | 0.812 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 128.1 | -175.2 | 29.5 | -34.5 | 0 | 0 | 0 | 112.5 | ||
| 283 | V | 43.7 | Very low | 36.4 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 140.8 | 174.3 | 178.6 | 0 | 0 | 0 | 0 | 110.1 | ||
| 284 | I | 39.3 | Very low | 37.1 | Very low | 149 Ų | 149 | 143.7 Ų | 143.7 | 76% | 0.764 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 129.3 | -176.3 | -58.3 | 170.4 | 0 | 0 | 0 | 110.1 | ||
| 285 | P | 42.4 | Very low | 38 | Very low | 123 Ų | 123 | 147.6 Ų | 147.6 | 80% | 0.799 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 140.2 | 177.3 | -18.6 | 32 | 0 | 0 | 0 | 113.4 | ||
| 286 | V | 36.4 | Very low | 38.1 | Very low | 124 Ų | 124 | 148.4 Ų | 148.4 | 75% | 0.752 | 83% | 0.832 | S | S | * | * | trans | -117.2 | 133.1 | 169.9 | -174.8 | 0 | 0 | 0 | 0 | 108.1 | S288 | V286-S288 PolarHBondContact O-N 3.37Š| ||
| 287 | P | 38.8 | Very low | 38.9 | Very low | 130 Ų | 130 | 149.1 Ų | 149.1 | 84% | 0.844 | 83% | 0.829 | S | S | * | * | trans | -80.1 | 116.7 | -169.3 | 30.1 | -34.7 | 0 | 0 | 0 | 113 | ||||
| 288 | S | 34.3 | Very low | 39.6 | Very low | 116 Ų | 116 | 148.2 Ų | 148.2 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | trans | -115.4 | 139.7 | 171.1 | -78.2 | 0 | 0 | 0 | 0 | 111.8 | V286 | V286-S288 PolarHBondContact O-N 3.37Š| ||
| 289 | K | 41.8 | Very low | 40.1 | Very low | 217 Ų | 217 | 149 Ų | 149 | 94% | 0.943 | 82% | 0.818 | S | S | * | * | trans | -55.1 | 134.9 | 179.3 | -91.8 | 170.3 | 169.8 | 171.1 | 0 | 112.6 | ||||
| 290 | G | 37.6 | Very low | 40.6 | Very low | 72 Ų | 72 | 143.6 Ų | 143.6 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | trans | -138.7 | 142.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 291 | F | 38.2 | Very low | 41.3 | Very low | 222 Ų | 222 | 145.9 Ų | 145.9 | 97% | 0.974 | 82% | 0.816 | S | S | * | * | trans | -84 | 144 | 176.1 | -86.1 | -106.9 | 0 | 0 | 0 | 110.9 | ||||
| 292 | G | 35.1 | Very low | 41.8 | Very low | 73 Ų | 73 | 146.3 Ų | 146.3 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | trans | -156.5 | 128.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 293 | I | 48.8 | Very low | 41.9 | Very low | 178 Ų | 178 | 145.5 Ų | 145.5 | 91% | 0.913 | 82% | 0.817 | S | S | * | * | trans | -73.6 | 137 | 178.3 | -76.6 | 168.8 | 0 | 0 | 0 | 109.7 | ||||
| 294 | L | 42.2 | Very low | 41.5 | Very low | 165 Ų | 165 | 147.7 Ų | 147.7 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | trans | -127.9 | 138.5 | 172.2 | -168.8 | 64.6 | 0 | 0 | 0 | 111.3 | ||||
| 295 | Q | 48 | Very low | 41.5 | Very low | 171 Ų | 171 | 145.8 Ų | 145.8 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | trans | -64.3 | 146.4 | 179 | -78.5 | -74.4 | 1.8 | 0 | 0 | 112.6 | I297 | Q295-I297 PolarHBondContact O-N 2.81Š| ||
| 296 | K | 35.2 | Very low | 41.5 | Very low | 199 Ų | 199 | 150.6 Ų | 150.6 | 87% | 0.865 | 82% | 0.819 | S | S | * | * | trans | -93.2 | 99.1 | -173.4 | -177.2 | -176.8 | 177.6 | -177.5 | 0 | 111.6 | ||||
| 297 | I | 46.8 | Very low | 41.4 | Very low | 151 Ų | 151 | 148.4 Ų | 148.4 | 77% | 0.774 | 82% | 0.822 | S | S | * | * | trans | -105.3 | 128.7 | 168.2 | -58 | 177.4 | 0 | 0 | 0 | 108.6 | Q295 | Q295-I297 PolarHBondContact O-N 2.81Š| ||
| 298 | P | 46.9 | Very low | 41.4 | Very low | 110 Ų | 110 | 151.6 Ų | 151.6 | 71% | 0.714 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 132.5 | -176.2 | 31.3 | -33.5 | 0 | 0 | 0 | 112.9 | ||
| 299 | P | 46.2 | Very low | 42.1 | Very low | 111 Ų | 111 | 150.4 Ų | 150.4 | 72% | 0.721 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 161.7 | 168.1 | 33 | -34 | 0 | 0 | 0 | 112 | ||
| 300 | P | 44.1 | Very low | 41.7 | Very low | 130 Ų | 130 | 145 Ų | 145 | 84% | 0.844 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 153 | -168.2 | 29.8 | -36.4 | 0 | 0 | 0 | 114.9 | ||
| 301 | L | 46.1 | Very low | 41.7 | Very low | 163 Ų | 163 | 150.6 Ų | 150.6 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 120.6 | 177.4 | -63.7 | 168.2 | 0 | 0 | 0 | 111.5 | ||
| 302 | F | 44 | Very low | 41.6 | Very low | 208 Ų | 208 | 143.9 Ų | 143.9 | 91% | 0.912 | 81% | 0.806 | S | S | * | * | trans | -151.1 | 150.1 | 145.8 | -88 | -65.2 | 0 | 0 | 0 | 109.6 | ||||
| 303 | P | 44.3 | Very low | 41.6 | Very low | 108 Ų | 108 | 148.9 Ų | 148.9 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | trans | -90.1 | 161.5 | -155.8 | 34.9 | -37.6 | 0 | 0 | 0 | 114.8 | ||||
| 304 | H | 34.3 | Very low | 40.8 | Very low | 182 Ų | 182 | 145.9 Ų | 145.9 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | -126.4 | 139.6 | 152.7 | -80.6 | 34.1 | 0 | 0 | 0 | 108 | ||||
| 305 | P | 40.8 | Very low | 40.4 | Very low | 109 Ų | 109 | 147 Ų | 147 | 71% | 0.708 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -81.5 | 156.8 | -178.3 | 34.7 | -36.1 | 0 | 0 | 0 | 112.3 | ||
| 306 | Y | 41.5 | Very low | 39.6 | Very low | 224 Ų | 224 | 148.1 Ų | 148.1 | 88% | 0.878 | 81% | 0.811 | S | S | * | * | trans | 62.7 | 86.1 | 174.7 | -57 | -76.5 | 0 | 0 | 0 | 116.9 | ||||
| 307 | G | 34.7 | Very low | 39.4 | Very low | 78 Ų | 78 | 147.1 Ų | 147.1 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 142.2 | 155.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 308 | F | 39.3 | Very low | 38.5 | Very low | 197 Ų | 197 | 145.6 Ų | 145.6 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 147.3 | 169.2 | -88.2 | -98.6 | 0 | 0 | 0 | 110.7 | ||
| 309 | P | 47.1 | Very low | 37.7 | Very low | 90 Ų | 90 | 147.3 Ų | 147.3 | 58% | 0.584 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 139.4 | -179.3 | 31.1 | -34.7 | 0 | 0 | 0 | 112.4 | F311 | P309-F311 HydrophobicContact CB-CE1 4.43Å; P309-F311 HydrophobicContact CB-CZ 4.19Å; P309-F311 HydrophobicContact CG-CE1 4.39Å; P309-F311 HydrophobicContact CG-CE2 4.15Å; P309-F311 HydrophobicContact CG-CZ 3.73Å |
| 310 | A | 35.1 | Very low | 36.9 | Very low | 103 Ų | 103 | 145 Ų | 145 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 123.6 | 164 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 311 | F | 36.4 | Very low | 36.3 | Very low | 191 Ų | 191 | 146 Ų | 146 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 137.6 | -178.1 | -56.6 | -80.7 | 0 | 0 | 0 | 111.1 | P309 | P309-F311 HydrophobicContact CB-CE1 4.43Å; P309-F311 HydrophobicContact CB-CZ 4.19Å; P309-F311 HydrophobicContact CG-CE1 4.39Å; P309-F311 HydrophobicContact CG-CE2 4.15Å; P309-F311 HydrophobicContact CG-CZ 3.73Å |
| 312 | G | 35.6 | Very low | 35.6 | Very low | 81 Ų | 81 | 146.3 Ų | 146.3 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 156.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 313 | L | 35.1 | Very low | 34.9 | Very low | 178 Ų | 178 | 139.7 Ų | 139.7 | 93% | 0.932 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 130.9 | 168.3 | -71.8 | 162.8 | 0 | 0 | 0 | 110.7 | ||
| 314 | C | 32.7 | Very low | 34.2 | Very low | 114 Ų | 114 | 142.4 Ų | 142.4 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -154.5 | 123.1 | 159.8 | -116 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 315 | Q | 34.3 | Very low | 34.2 | Very low | 189 Ų | 189 | 141 Ų | 141 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | 72.3 | 169.6 | 150.9 | -57.4 | -164.2 | 29 | 0 | 0 | 120.5 | ||||
| 316 | K | 30.7 | Very low | 33.7 | Very low | 195 Ų | 195 | 140.2 Ų | 140.2 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | trans | -140.6 | 165.9 | -160.6 | 149.5 | -173.5 | 173.8 | -176.8 | 0 | 106.1 | ||||
| 317 | K | 30.4 | Very low | 33.2 | Very low | 178 Ų | 178 | 138.9 Ų | 138.9 | 77% | 0.774 | 78% | 0.78 | S | S | * | * | trans | 102.1 | 135.7 | 178 | -159.5 | -176.8 | -175.8 | -178.4 | 0 | 111.7 | ||||
| 318 | D | 28.1 | Very low | 33.1 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 63% | 0.631 | 78% | 0.783 | S | S | * | * | cis | -148.3 | -179.3 | -10.4 | -107.9 | 165 | 0 | 0 | 0 | 110 | ||||
| 319 | D | 30.3 | Very low | 32.7 | Very low | 147 Ų | 147 | 134.1 Ų | 134.1 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | trans | 5.1 | 138.3 | 158.2 | -71.3 | -106.2 | 0 | 0 | 0 | 122.7 | ||||
| 320 | G | 30.5 | Very low | 32 | Very low | 63 Ų | 63 | 138 Ų | 138 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | 131.2 | 95.3 | 107.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 321 | I | 30.5 | Very low | 32.9 | Very low | 151 Ų | 151 | 139 Ų | 139 | 77% | 0.774 | 79% | 0.788 | S | S | * | * | 72.7 | 125.9 | 121.8 | -68.2 | 167.9 | 0 | 0 | 0 | 121.5 | |||||
| 322 | I | 31.8 | Very low | 32.6 | Very low | 169 Ų | 169 | 133 Ų | 133 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | 78.6 | 145.5 | 154 | -77 | 165.8 | 0 | 0 | 0 | 121.7 | ||||
| 323 | G | 30.1 | Very low | 32.9 | Very low | 68 Ų | 68 | 135.6 Ų | 135.6 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | 96.3 | 104.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 324 | E | 28.9 | Very low | 32.9 | Very low | 165 Ų | 165 | 135 Ų | 135 | 77% | 0.771 | 78% | 0.778 | S | S | * | * | cis | 97.9 | 107.7 | 31.4 | -159.5 | -177.9 | 166.7 | 0 | 0 | 115.7 | ||||
| 325 | Q | 33.6 | Very low | 32.9 | Very low | 153 Ų | 153 | 141 Ų | 141 | 72% | 0.715 | 78% | 0.784 | S | S | * | * | trans | 57.9 | 140.8 | 151.5 | -70.4 | -164.1 | 78.8 | 0 | 0 | 125.3 | ||||
| 326 | S | 30 | Very low | 33.7 | Very low | 93 Ų | 93 | 137.7 Ų | 137.7 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | trans | 90.8 | 109.8 | 132 | -82.3 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 327 | K | 31.9 | Very low | 33.6 | Very low | 196 Ų | 196 | 132.1 Ų | 132.1 | 85% | 0.852 | 78% | 0.776 | S | S | * | * | 47.3 | 111.8 | 124.2 | -70.2 | -174.2 | 174 | 177.1 | 0 | 121.6 | |||||
| 328 | A | 33 | Very low | 34 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | 66.9 | 137.1 | 119.5 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 329 | G | 30.3 | Very low | 34.2 | Very low | 70 Ų | 70 | 132.6 Ų | 132.6 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | 145.4 | 76.2 | 135.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 330 | L | 33.5 | Very low | 34.4 | Very low | 172 Ų | 172 | 131.4 Ų | 131.4 | 90% | 0.901 | 78% | 0.778 | S | S | * | * | trans | 62.4 | -165 | 150 | -54.8 | 172.3 | 0 | 0 | 0 | 115.7 | ||||
| 331 | P | 52.8 | Low | 34.5 | Very low | 123 Ų | 123 | 134 Ų | 134 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | -138.2 | 166.9 | -96.3 | 42.8 | -25.3 | 0 | 0 | 0 | 117.6 | |||||
| 332 | G | 30.3 | Very low | 34.7 | Very low | 67 Ų | 67 | 131.4 Ų | 131.4 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | trans | 121.9 | 140.7 | 134.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 333 | V | 41.7 | Very low | 34.6 | Very low | 134 Ų | 134 | 133.7 Ų | 133.7 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | 52.6 | 120.7 | 143.7 | -150.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 334 | L | 34.5 | Very low | 35.4 | Very low | 167 Ų | 167 | 135.4 Ų | 135.4 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | 172.9 | 143.1 | 115.5 | -88.6 | 164.2 | 0 | 0 | 0 | 113.9 | |||||
| 335 | W | 33.7 | Very low | 35.5 | Very low | 240 Ų | 240 | 131.3 Ų | 131.3 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | trans | -93.3 | -172.3 | 168.5 | -83.6 | 83.7 | 0 | 0 | 0 | 109.9 | ||||
| 336 | P | 50.8 | Low | 35.6 | Very low | 119 Ų | 119 | 133.2 Ų | 133.2 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | cis | -130.3 | -165.8 | -13.6 | 30.9 | -8.3 | 0 | 0 | 0 | 113.2 | ||||
| 337 | G | 29.4 | Very low | 36.5 | Very low | 77 Ų | 77 | 134.2 Ų | 134.2 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | 161.7 | 124.7 | 152.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 338 | T | 37.9 | Very low | 36.8 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | -111.5 | 161.4 | -173.1 | 50.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 339 | K | 31.8 | Very low | 37.1 | Very low | 167 Ų | 167 | 137.7 Ų | 137.7 | 73% | 0.726 | 79% | 0.787 | S | S | * | * | trans | 104.7 | 138.6 | 131.5 | -120.5 | -174.9 | 170.7 | -76.7 | 0 | 122.7 | ||||
| 340 | D | 36.4 | Very low | 37.5 | Very low | 122 Ų | 122 | 143.6 Ų | 143.6 | 65% | 0.652 | 79% | 0.788 | S | S | * | * | trans | 82.4 | 118.2 | 143.1 | -75.7 | -15.8 | 0 | 0 | 0 | 125.9 | ||||
| 341 | S | 32.6 | Very low | 37.8 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | 84.8 | 109.9 | 125.3 | -159.6 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 342 | A | 33.3 | Very low | 36.8 | Very low | 97 Ų | 97 | 140.1 Ų | 140.1 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | -176.7 | 150.8 | 123.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 343 | Y | 31 | Very low | 37.4 | Very low | 217 Ų | 217 | 141.6 Ų | 141.6 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | trans | -111.4 | 175.8 | 173.5 | -131.8 | -125 | 0 | 0 | 0 | 108.6 | ||||
| 344 | P | 46.2 | Very low | 36.9 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | cis | -148.7 | 173.8 | 19.3 | 45.9 | -26 | 0 | 0 | 0 | 120.2 | ||||
| 345 | S | 31.4 | Very low | 37.1 | Very low | 79 Ų | 79 | 137 Ų | 137 | 55% | 0.552 | 78% | 0.775 | S | S | * | * | trans | 67.1 | 109 | 137.7 | -70 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 346 | F | 35.6 | Very low | 37.6 | Very low | 193 Ų | 193 | 132.9 Ų | 132.9 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | 65.2 | 160.5 | 124.7 | -70.6 | -61.9 | 0 | 0 | 0 | 123.1 | |||||
| 347 | P | 49.1 | Very low | 36.9 | Very low | 114 Ų | 114 | 133.1 Ų | 133.1 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | cis | -127.9 | 163.4 | -22.4 | 35.6 | -19.9 | 0 | 0 | 0 | 114.5 | ||||
| 348 | M | 37.4 | Very low | 37.5 | Very low | 177 Ų | 177 | 137.4 Ų | 137.4 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | trans | -133.9 | 132.5 | 156.5 | -99.2 | -68.6 | -78 | 0 | 0 | 109.7 | ||||
| 349 | F | 39.9 | Very low | 37.5 | Very low | 196 Ų | 196 | 135.8 Ų | 135.8 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | -99.7 | 112.1 | -169.9 | 173.4 | -94 | 0 | 0 | 0 | 111.4 | ||||
| 350 | W | 38.4 | Very low | 38 | Very low | 193 Ų | 193 | 133.8 Ų | 133.8 | 73% | 0.731 | 77% | 0.769 | S | S | * | * | trans | -151 | 144.8 | 161.6 | 70.5 | -73.8 | 0 | 0 | 0 | 110.1 | ||||
| 351 | P | 40.8 | Very low | 38.1 | Very low | 115 Ų | 115 | 139 Ų | 139 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 121.2 | -179.8 | 31.9 | -32.4 | 0 | 0 | 0 | 112 | ||
| 352 | T | 31.8 | Very low | 38.1 | Very low | 108 Ų | 108 | 137.6 Ų | 137.6 | 66% | 0.663 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 148.9 | 169 | -66.7 | 0 | 0 | 0 | 0 | 111 | ||
| 353 | A | 41.3 | Very low | 38 | Very low | 97 Ų | 97 | 141.9 Ų | 141.9 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 152.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 354 | G | 32.8 | Very low | 38.2 | Very low | 71 Ų | 71 | 138 Ų | 138 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | -107.3 | 158.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 355 | P | 38.6 | Very low | 38 | Very low | 134 Ų | 134 | 138 Ų | 138 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | trans | -98.2 | 178.2 | -158.8 | 38.2 | -37.4 | 0 | 0 | 0 | 116.9 | ||||
| 356 | L | 42.7 | Very low | 37.9 | Very low | 154 Ų | 154 | 143 Ų | 143 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | trans | -57 | 164.8 | -178.5 | -55.5 | 168.5 | 0 | 0 | 0 | 114.7 | ||||
| 357 | P | 37.3 | Very low | 37.4 | Very low | 123 Ų | 123 | 143 Ų | 143 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | -137.4 | 155.8 | 97.1 | 38.3 | -28.3 | 0 | 0 | 0 | 115.7 | |||||
| 358 | M | 41.3 | Very low | 37.3 | Very low | 167 Ų | 167 | 142.5 Ų | 142.5 | 82% | 0.823 | 79% | 0.789 | S | S | * | * | trans | -139.1 | 121.5 | 174 | -113 | -75.1 | -73.1 | 0 | 0 | 109.3 | ||||
| 359 | P | 38.7 | Very low | 37.3 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | trans | -148.7 | 176.3 | 148.6 | 39.4 | -24.2 | 0 | 0 | 0 | 113.5 | ||||
| 360 | P | 41.8 | Very low | 37.9 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | cis | -125.2 | -176.3 | -38.4 | 36.3 | -20.9 | 0 | 0 | 0 | 111.4 | ||||
| 361 | Y | 38.8 | Very low | 37.3 | Very low | 232 Ų | 232 | 134.8 Ų | 134.8 | 91% | 0.91 | 78% | 0.782 | S | S | * | * | trans | -117.1 | 139.7 | 175.1 | -160.3 | -88.5 | 0 | 0 | 0 | 111.2 | ||||
| 362 | A | 31.7 | Very low | 36.8 | Very low | 87 Ų | 87 | 135.9 Ų | 135.9 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | trans | -151.3 | 119.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 363 | Q | 31.9 | Very low | 36.6 | Very low | 187 Ų | 187 | 138.3 Ų | 138.3 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | 41.6 | 131.3 | 145.1 | -53.9 | -173.8 | 12.8 | 0 | 0 | 122 | ||||
| 364 | T | 35.3 | Very low | 36 | Very low | 136 Ų | 136 | 139.4 Ų | 139.4 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | -75.9 | 154.9 | 161.3 | 51.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 365 | P | 41 | Very low | 36.5 | Very low | 103 Ų | 103 | 141.2 Ų | 141.2 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | -153.2 | 178.9 | 106.3 | 27 | -2.9 | 0 | 0 | 0 | 117.2 | |||||
| 366 | H | 29.8 | Very low | 36 | Very low | 186 Ų | 186 | 144.6 Ų | 144.6 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | 110.5 | 156.6 | 155.1 | -66.1 | -71.7 | 0 | 0 | 0 | 122.7 | ||||
| 367 | K | 24.6 | Very low | 35.2 | Very low | 191 Ų | 191 | 142.7 Ų | 142.7 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | trans | -140.2 | -176.7 | -168.5 | -131.9 | -173 | -178.9 | -177.9 | 0 | 105.4 | ||||
| 368 | P | 46.7 | Very low | 34.7 | Very low | 104 Ų | 104 | 142.3 Ų | 142.3 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | cis | -124.8 | -128.9 | -18.8 | 32.9 | -7.1 | 0 | 0 | 0 | 107.9 | ||||
| 369 | P | 39.1 | Very low | 34 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | cis | -125 | -108.3 | -26.1 | 34.5 | -8.9 | 0 | 0 | 0 | 114.1 | ||||
| 370 | P | 52.3 | Low | 33.8 | Very low | 114 Ų | 114 | 141.7 Ų | 141.7 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | trans | -136.7 | -179.8 | -157.3 | 43.1 | -19.6 | 0 | 0 | 0 | 118.4 | ||||
| 371 | E | 25.3 | Very low | 33.1 | Very low | 174 Ų | 174 | 141.7 Ų | 141.7 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | trans | 166.6 | 153.7 | 139.4 | -94 | -165.1 | 174.3 | 0 | 0 | 108.5 | ||||
| 372 | L | 30.5 | Very low | 32.6 | Very low | 137 Ų | 137 | 137.1 Ų | 137.1 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | cis | -164.6 | 177.5 | -31.9 | -117.9 | -179.7 | 0 | 0 | 0 | 107.4 | ||||
| 373 | L | 27.4 | Very low | 32.6 | Very low | 159 Ų | 159 | 137.9 Ų | 137.9 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | trans | 76.1 | 111.3 | 166.1 | -49.8 | -174.9 | 0 | 0 | 0 | 121.1 | ||||
| 374 | C | 29 | Very low | 32.4 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | -94.6 | 170.8 | 139.2 | -134.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 375 | P | 42.4 | Very low | 32 | Very low | 109 Ų | 109 | 135.7 Ų | 135.7 | 71% | 0.708 | 74% | 0.736 | S | S | * | * | -161.9 | -169.2 | 62 | 41.4 | -17.2 | 0 | 0 | 0 | 118.6 | |||||
| 376 | R | 28 | Very low | 31.4 | Very low | 205 Ų | 205 | 135.5 Ų | 135.5 | 77% | 0.774 | 74% | 0.737 | S | S | * | * | trans | 80.2 | 115.8 | 159.1 | -65.4 | -167.2 | 105.3 | 124.6 | 9.1 | 118.5 | ||||
| 377 | Q | 25.8 | Very low | 31.3 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 53% | 0.533 | 73% | 0.732 | S | S | . | * | 84.1 | 147.6 | 85.8 | -75.2 | -164.5 | -71.1 | 0 | 0 | 113.4 | E379 | Q377-E379 PolarHBondContact NE2-OE1 3.38Å; Q377-E379 PolarHBondContact NE2-OE2 3.48Å | |||
| 378 | T | 27.3 | Very low | 31.6 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | cis | -146.3 | 157 | 27.2 | -29.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 379 | E | 26.5 | Very low | 30.7 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 60% | 0.603 | 73% | 0.727 | S | S | * | * | trans | -47.1 | 165.6 | 171.7 | -51.6 | 83.7 | 88.9 | 0 | 0 | 115.4 | Q377 | Q377-E379 PolarHBondContact NE2-OE1 3.38Å; Q377-E379 PolarHBondContact NE2-OE2 3.48Å | ||
| 380 | V | 35 | Very low | 30.6 | Very low | 130 Ų | 130 | 133.6 Ų | 133.6 | 79% | 0.788 | 73% | 0.725 | S | S | * | * | cis | -144 | -147.7 | 24.5 | -138.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 381 | D | 26.5 | Very low | 29.6 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 67% | 0.674 | 73% | 0.727 | S | S | * | * | cis | -162.2 | 173.2 | 3.7 | -137.2 | 142 | 0 | 0 | 0 | 114.9 | ||||
| 382 | I | 29.1 | Very low | 29.8 | Very low | 135 Ų | 135 | 132.5 Ų | 132.5 | 69% | 0.692 | 72% | 0.723 | S | S | * | * | trans | 28 | 116.6 | 148.2 | -94.9 | 159.7 | 0 | 0 | 0 | 122.1 | ||||
| 383 | S | 30.3 | Very low | 29.7 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 72% | 0.72 | 73% | 0.728 | S | S | * | * | 82.4 | 145.8 | 80.5 | -79.5 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 384 | E | 27.5 | Very low | 30 | Very low | 174 Ų | 174 | 132.2 Ų | 132.2 | 81% | 0.813 | 72% | 0.724 | S | S | * | * | cis | -165 | 175.1 | -1.8 | -178.8 | 173.2 | 124.1 | 0 | 0 | 110.2 | ||||
| 385 | S | 28 | Very low | 29.9 | Very low | 104 Ų | 104 | 132 Ų | 132 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | trans | 78.4 | 140.1 | 169.5 | 71.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 386 | S | 28.9 | Very low | 29.4 | Very low | 99 Ų | 99 | 131.4 Ų | 131.4 | 69% | 0.692 | 71% | 0.713 | S | S | * | * | cis | 74.1 | 136.6 | 43.8 | -85.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 387 | D | 26.8 | Very low | 29.8 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 75% | 0.749 | 71% | 0.712 | S | S | * | * | cis | -170.6 | 172.9 | -5.1 | -134.4 | -63.9 | 0 | 0 | 0 | 112.7 | ||||
| 388 | R | 30.1 | Very low | 30.3 | Very low | 215 Ų | 215 | 128.1 Ų | 128.1 | 81% | 0.811 | 72% | 0.723 | S | S | * | * | trans | 64.2 | 140 | 138.2 | 177 | 177.1 | 151 | -136.4 | -4.7 | 124.2 | ||||
| 389 | S | 29.8 | Very low | 30.4 | Very low | 85 Ų | 85 | 128.7 Ų | 128.7 | 59% | 0.594 | 72% | 0.722 | S | S | * | * | trans | 71.1 | 130.1 | 156.7 | -75.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 390 | T | 37 | Very low | 30.4 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 72% | 0.718 | 73% | 0.725 | S | S | * | * | cis | 79.3 | 113.7 | 37.1 | 72.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 391 | N | 29.8 | Very low | 30.2 | Very low | 148 Ų | 148 | 128.4 Ų | 128.4 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | trans | -176.9 | 110.1 | 145.8 | -94.1 | -11.4 | 0 | 0 | 0 | 108.6 | ||||
| 392 | T | 30.1 | Very low | 30.8 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 72% | 0.718 | 73% | 0.733 | S | S | * | * | 82.9 | 131.3 | 77.8 | 57.3 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 393 | S | 29.3 | Very low | 30.8 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | 85.5 | 147.4 | 158.9 | 84.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 394 | K | 32.4 | Very low | 30.9 | Very low | 174 Ų | 174 | 133.1 Ų | 133.1 | 76% | 0.757 | 74% | 0.743 | S | S | * | * | cis | -158.6 | 158.1 | 4.5 | -144.1 | -172.6 | 176.8 | -98.2 | 0 | 112.1 | ||||
| 395 | D | 26.5 | Very low | 31 | Very low | 115 Ų | 115 | 129.7 Ų | 129.7 | 62% | 0.615 | 74% | 0.738 | S | S | * | * | trans | 44.6 | 125.4 | 154 | -86.6 | -88.3 | 0 | 0 | 0 | 120.9 | ||||
| 396 | S | 33.3 | Very low | 31.2 | Very low | 97 Ų | 97 | 130.2 Ų | 130.2 | 68% | 0.678 | 74% | 0.737 | S | S | * | * | 89.9 | 136.4 | 74.7 | -159.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 397 | V | 35.5 | Very low | 31.3 | Very low | 123 Ų | 123 | 134 Ų | 134 | 75% | 0.745 | 74% | 0.744 | S | S | * | * | cis | -164.9 | 167.2 | 0.1 | 110.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 398 | V | 35.9 | Very low | 31.4 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | trans | 72.4 | 141.1 | 163.6 | 128.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 399 | D | 29.1 | Very low | 31.4 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 68% | 0.679 | 74% | 0.737 | S | S | * | * | cis | -156.6 | 153.5 | -15.7 | -141.4 | -131.1 | 0 | 0 | 0 | 112.8 | ||||
| 400 | T | 27.9 | Very low | 32 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 66% | 0.663 | 75% | 0.75 | S | S | * | * | trans | 24.9 | 128 | 135.3 | -48.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 401 | D | 29.8 | Very low | 31.8 | Very low | 145 Ų | 145 | 138 Ų | 138 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | cis | -161.2 | 165.7 | -16.5 | -140.9 | -29.8 | 0 | 0 | 0 | 112.1 | ||||
| 402 | R | 38.9 | Very low | 32.1 | Very low | 226 Ų | 226 | 139.4 Ų | 139.4 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | trans | -99.3 | 151.2 | 157.1 | -82.4 | 175.7 | 165.6 | 158.9 | -5.3 | 108.8 | ||||
| 403 | C | 28.9 | Very low | 32.3 | Very low | 128 Ų | 128 | 141 Ų | 141 | 87% | 0.865 | 76% | 0.764 | S | S | * | * | trans | -150.6 | 147.6 | 141.2 | -113.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 404 | S | 33.3 | Very low | 32.5 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | trans | -160 | 137.8 | 170.3 | -76 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 405 | S | 30.2 | Very low | 32.7 | Very low | 102 Ų | 102 | 140.9 Ų | 140.9 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | trans | 71.7 | 111.6 | 153.7 | -56.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 406 | T | 32 | Very low | 33 | Very low | 115 Ų | 115 | 141.2 Ų | 141.2 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | 78.2 | 141.1 | 125 | 60.1 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 407 | Q | 29.8 | Very low | 32.9 | Very low | 178 Ų | 178 | 139.9 Ų | 139.9 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | 72.5 | 149.2 | 156.5 | -71.7 | 174.5 | 68.6 | 0 | 0 | 116.9 | ||||
| 408 | S | 29 | Very low | 32.7 | Very low | 87 Ų | 87 | 141.8 Ų | 141.8 | 61% | 0.608 | 77% | 0.773 | S | S | * | * | cis | -167.1 | -170.9 | -17.6 | 58.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 409 | I | 30.6 | Very low | 32.9 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 82% | 0.815 | 78% | 0.779 | S | S | * | * | trans | 78.4 | 149.4 | 163.1 | -70.4 | 166.3 | 0 | 0 | 0 | 116.6 | ||||
| 410 | R | 42.1 | Very low | 33.2 | Very low | 231 Ų | 231 | 142.4 Ų | 142.4 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | trans | -112.6 | 155.3 | 178.2 | -73.4 | 169.9 | 150 | 178.7 | -10.3 | 109.6 | ||||
| 411 | N | 32.5 | Very low | 33.8 | Very low | 164 Ų | 164 | 149.1 Ų | 149.1 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | -154.2 | 165.3 | 143.2 | -97.9 | -20.6 | 0 | 0 | 0 | 109.1 | ||||
| 412 | E | 36.8 | Very low | 34.8 | Very low | 177 Ų | 177 | 147.9 Ų | 147.9 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | -80.1 | 165.9 | -179.9 | -51.1 | -165 | 86.8 | 0 | 0 | 110.1 | ||||
| 413 | D | 33.7 | Very low | 34.4 | Very low | 150 Ų | 150 | 141.4 Ų | 141.4 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | -178.4 | -173.3 | 59.9 | -134.9 | -50.1 | 0 | 0 | 0 | 113.2 | |||||
| 414 | D | 33.5 | Very low | 34.5 | Very low | 114 Ų | 114 | 144.9 Ų | 144.9 | 61% | 0.61 | 80% | 0.796 | S | S | * | * | trans | 71.4 | 85.9 | 166 | -125.9 | -126.9 | 0 | 0 | 0 | 119.6 | ||||
| 415 | K | 36.7 | Very low | 34.4 | Very low | 175 Ų | 175 | 143.5 Ų | 143.5 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | 72.9 | 98.4 | 106.9 | -176.7 | -166.5 | -169.2 | 172.7 | 0 | 121.6 | |||||
| 416 | S | 32.8 | Very low | 34.5 | Very low | 122 Ų | 122 | 146.9 Ų | 146.9 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -167.8 | 141.8 | 135.1 | -172.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 417 | G | 32.8 | Very low | 34.4 | Very low | 70 Ų | 70 | 145.9 Ų | 145.9 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | cis | 139.3 | 71.8 | -3.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 418 | D | 31 | Very low | 34.7 | Very low | 162 Ų | 162 | 145.4 Ų | 145.4 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | trans | -160.4 | 172.1 | 158.2 | -154.6 | 4.4 | 0 | 0 | 0 | 112.7 | ||||
| 419 | E | 39.7 | Very low | 35.4 | Very low | 190 Ų | 190 | 146.8 Ų | 146.8 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | trans | -82.8 | 165 | -165 | -66.6 | -154.1 | 82.2 | 0 | 0 | 118.3 | ||||
| 420 | G | 35.6 | Very low | 35.4 | Very low | 78 Ų | 78 | 143.4 Ų | 143.4 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | 159 | 94.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 421 | R | 40.1 | Very low | 35.3 | Very low | 250 Ų | 250 | 144 Ų | 144 | 94% | 0.943 | 81% | 0.81 | S | S | * | * | trans | -109.6 | 170 | -176.1 | -96.2 | -159.2 | 171.7 | -176.8 | 0.2 | 114.9 | ||||
| 422 | P | 49.8 | Very low | 35.2 | Very low | 119 Ų | 119 | 146.2 Ų | 146.2 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | -121.5 | 175.1 | -147.9 | 44.7 | -36.2 | 0 | 0 | 0 | 117.3 | ||||
| 423 | A | 30.9 | Very low | 35 | Very low | 90 Ų | 90 | 145.8 Ų | 145.8 | 74% | 0.744 | 82% | 0.815 | S | S | * | * | trans | -164.2 | 129.7 | 149.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 424 | E | 32.6 | Very low | 34.9 | Very low | 201 Ų | 201 | 144 Ų | 144 | 94% | 0.939 | 81% | 0.814 | S | S | * | * | 68.8 | 119.7 | 64.9 | -65.6 | -147.2 | 130.2 | 0 | 0 | 115.5 | |||||
| 425 | G | 30.8 | Very low | 34.9 | Very low | 79 Ų | 79 | 149.2 Ų | 149.2 | 81% | 0.814 | 83% | 0.827 | S | S | * | * | trans | 172.5 | 74 | -176.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 426 | M | 31.6 | Very low | 34.8 | Very low | 173 Ų | 173 | 147 Ų | 147 | 85% | 0.852 | 83% | 0.828 | S | S | * | * | trans | 25.2 | 126.8 | 156.1 | -113.8 | 63.1 | 77.2 | 0 | 0 | 125.1 | ||||
| 427 | S | 30.3 | Very low | 34.9 | Very low | 94 Ų | 94 | 145.7 Ų | 145.7 | 66% | 0.657 | 82% | 0.819 | S | S | * | * | trans | 68.5 | 104.5 | 133.9 | 64 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 428 | L | 35.3 | Very low | 34.9 | Very low | 168 Ų | 168 | 147 Ų | 147 | 88% | 0.88 | 82% | 0.823 | S | S | * | * | 64 | 158.9 | 129.5 | -63.1 | 178.2 | 0 | 0 | 0 | 121.7 | |||||
| 429 | P | 44.1 | Very low | 35.2 | Very low | 117 Ų | 117 | 148.7 Ų | 148.7 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | cis | -125.3 | -177.8 | -17 | 39.7 | -25 | 0 | 0 | 0 | 114 | ||||
| 430 | A | 30 | Very low | 35.2 | Very low | 88 Ų | 88 | 151.1 Ų | 151.1 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | trans | 127.8 | 108.5 | 144.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 431 | R | 40.8 | Very low | 35.7 | Very low | 242 Ų | 242 | 153 Ų | 153 | 91% | 0.913 | 82% | 0.822 | S | S | * | * | trans | 29.6 | 109.9 | 138.1 | -58.3 | 175.2 | -176.4 | 148 | 1.3 | 118.4 | ||||
| 432 | K | 30.4 | Very low | 35.3 | Very low | 211 Ų | 211 | 147.6 Ų | 147.6 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | trans | -119.6 | 134.9 | 145.9 | -74.8 | -174.5 | 176.5 | 178.3 | 0 | 109.6 | ||||
| 433 | L | 32.4 | Very low | 35.1 | Very low | 168 Ų | 168 | 149.7 Ų | 149.7 | 88% | 0.88 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 146.1 | 173.1 | -97.1 | 64 | 0 | 0 | 0 | 110.1 | ||
| 434 | S | 30.8 | Very low | 35.2 | Very low | 114 Ų | 114 | 153.3 Ų | 153.3 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 143.5 | 170.7 | -71.1 | 0 | 0 | 0 | 0 | 111.4 | ||
| 435 | Y | 34 | Very low | 35.4 | Very low | 222 Ų | 222 | 149.7 Ų | 149.7 | 87% | 0.871 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 124 | 170.6 | 166.9 | -89.6 | 0 | 0 | 0 | 110.5 | ||
| 436 | V | 35.3 | Very low | 36.2 | Very low | 130 Ų | 130 | 149.5 Ų | 149.5 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | trans | -137.2 | 134.6 | 168.5 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 437 | S | 35.5 | Very low | 37 | Very low | 94 Ų | 94 | 149 Ų | 149 | 66% | 0.657 | 80% | 0.797 | S | S | * | * | trans | -41.4 | 142.3 | -179.5 | -173.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 438 | A | 32.6 | Very low | 37.3 | Very low | 97 Ų | 97 | 150.4 Ų | 150.4 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | -117.7 | 79.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 439 | F | 37.3 | Very low | 37.5 | Very low | 198 Ų | 198 | 150.9 Ų | 150.9 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | trans | -136.1 | 71.7 | 166.6 | -99.6 | -67.4 | 0 | 0 | 0 | 111.7 | ||||
| 440 | R | 39.6 | Very low | 36.9 | Very low | 240 Ų | 240 | 149.3 Ų | 149.3 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -171.5 | 154 | 151 | -103.3 | 153.5 | -160.1 | -105.3 | 3.8 | 110.5 | ||
| 441 | P | 44.7 | Very low | 37.2 | Very low | 119 Ų | 119 | 154.4 Ų | 154.4 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -84.3 | 151.3 | -179.4 | 34.6 | -34.5 | 0 | 0 | 0 | 112.1 | ||||
| 442 | V | 33.3 | Very low | 36.8 | Very low | 136 Ų | 136 | 150.5 Ų | 150.5 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -128.7 | 131.8 | 166.8 | 177.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 443 | I | 45.4 | Very low | 36.9 | Very low | 163 Ų | 163 | 152.2 Ų | 152.2 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | trans | -113.8 | 118.8 | 167.5 | -62.2 | 172.5 | 0 | 0 | 0 | 106.4 | ||||
| 444 | K | 32.7 | Very low | 36.8 | Very low | 166 Ų | 166 | 147.7 Ų | 147.7 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | trans | 163.5 | 145.1 | 161.5 | -98 | -173.5 | 149.2 | -78 | 0 | 107.1 | ||||
| 445 | D | 36.7 | Very low | 36.8 | Very low | 125 Ų | 125 | 148.3 Ų | 148.3 | 67% | 0.668 | 81% | 0.807 | S | S | * | * | cis | -134.6 | 178.5 | -1.8 | -97.7 | -53.9 | 0 | 0 | 0 | 110 | ||||
| 446 | A | 47.1 | Very low | 36.6 | Very low | 75 Ų | 75 | 149.8 Ų | 149.8 | 62% | 0.62 | 81% | 0.811 | S | S | * | * | trans | -77.6 | -169.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 447 | D | 48.3 | Very low | 36.3 | Very low | 162 Ų | 162 | 147.5 Ų | 147.5 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | trans | 68.6 | 37.2 | 164.7 | -53.4 | -26 | 0 | 0 | 0 | 118.4 | ||||
| 448 | C | 36.1 | Very low | 36 | Very low | 123 Ų | 123 | 147.4 Ų | 147.4 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | trans | -136 | 26.6 | 175.8 | -94.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 449 | I | 39.9 | Very low | 35.8 | Very low | 178 Ų | 178 | 153.4 Ų | 153.4 | 91% | 0.913 | 82% | 0.822 | S | S | * | * | trans | -133.3 | 72.5 | 158.6 | -47.2 | -179.9 | 0 | 0 | 0 | 110.7 | ||||
| 450 | A | 32.4 | Very low | 35.5 | Very low | 85 Ų | 85 | 151.6 Ų | 151.6 | 70% | 0.702 | 82% | 0.821 | S | S | * | * | trans | -113.2 | 127.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 451 | K | 36.1 | Very low | 35 | Very low | 194 Ų | 194 | 144 Ų | 144 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | trans | 62.4 | 113.6 | 173.6 | -52.1 | 168.5 | -178.5 | 170.7 | 0 | 116 | ||||
| 452 | L | 31.9 | Very low | 34.2 | Very low | 160 Ų | 160 | 144.1 Ų | 144.1 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | 169.2 | 90.3 | 106.3 | -89.7 | 172.2 | 0 | 0 | 0 | 111.5 | |||||
| 453 | Y | 32 | Very low | 34.1 | Very low | 247 Ų | 247 | 148.1 Ų | 148.1 | 97% | 0.969 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -177.6 | 118.2 | 146.1 | -87.7 | -59.2 | 0 | 0 | 0 | 106.7 | ||
| 454 | G | 31.4 | Very low | 33.5 | Very low | 74 Ų | 74 | 146.4 Ų | 146.4 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | cis | -152.4 | 171.3 | -9.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 455 | S | 30.2 | Very low | 33.5 | Very low | 127 Ų | 127 | 142 Ų | 142 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | trans | -145.8 | 108.2 | 179.9 | -178 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 456 | R | 29.9 | Very low | 33.3 | Very low | 252 Ų | 252 | 146.1 Ų | 146.1 | 95% | 0.951 | 83% | 0.827 | S | S | * | * | trans | -170.4 | 126 | 145.9 | -150.9 | 172 | -173.5 | -178.6 | 1 | 109.4 | ||||
| 457 | G | 28.3 | Very low | 32.6 | Very low | 82 Ų | 82 | 149.2 Ų | 149.2 | 85% | 0.845 | 83% | 0.833 | S | S | * | * | trans | 160.9 | 41.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 458 | A | 29.8 | Very low | 31.8 | Very low | 92 Ų | 92 | 146.7 Ų | 146.7 | 76% | 0.76 | 83% | 0.828 | S | S | * | * | trans | -150.3 | 131.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 459 | Y | 29.4 | Very low | 32.4 | Very low | 223 Ų | 223 | 145.7 Ų | 145.7 | 88% | 0.875 | 82% | 0.82 | S | S | * | * | trans | -156.1 | 137.2 | 159.3 | -113.6 | -79.9 | 0 | 0 | 0 | 109.8 | ||||
| 460 | N | 30.2 | Very low | 31.9 | Very low | 160 Ų | 160 | 143.3 Ų | 143.3 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | 58.5 | 102.3 | 168.2 | -65 | -4.3 | 0 | 0 | 0 | 119.7 | ||||
| 461 | G | 30.2 | Very low | 31.8 | Very low | 82 Ų | 82 | 147.9 Ų | 147.9 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | -167.5 | 139.7 | 158.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 462 | C | 26.3 | Very low | 31.6 | Very low | 121 Ų | 121 | 146 Ų | 146 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -140.1 | 153.4 | -161.6 | -167.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 463 | R | 32.1 | Very low | 31.6 | Very low | 220 Ų | 220 | 143.8 Ų | 143.8 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | trans | 74.5 | 145.7 | 174.7 | -56.8 | -172.8 | 175.7 | -95.1 | -1.1 | 115.5 | ||||
| 464 | T | 33.6 | Very low | 31.4 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | cis | -161.3 | 144 | -11.5 | 12.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 465 | G | 30.9 | Very low | 31.4 | Very low | 74 Ų | 74 | 142.5 Ų | 142.5 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | trans | 72.2 | 164.7 | 153.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 466 | Y | 33.6 | Very low | 31.4 | Very low | 211 Ų | 211 | 142.2 Ų | 142.2 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | cis | -163.3 | 131.5 | -26.9 | -153.3 | -114.1 | 0 | 0 | 0 | 108.1 | ||||
| 467 | L | 32.8 | Very low | 31.6 | Very low | 140 Ų | 140 | 134.6 Ų | 134.6 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | 37.6 | 129 | 160.3 | -56 | -175.8 | 0 | 0 | 0 | 122.9 | ||||
| 468 | S | 31 | Very low | 31.6 | Very low | 109 Ų | 109 | 139.6 Ų | 139.6 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | -67.5 | -174.5 | 148.2 | -41.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 469 | P | 48.3 | Very low | 31.6 | Very low | 102 Ų | 102 | 143.4 Ų | 143.4 | 66% | 0.662 | 78% | 0.778 | S | S | * | * | cis | -149.4 | -166.7 | 12.7 | 45.6 | -23.4 | 0 | 0 | 0 | 117.6 | ||||
| 470 | D | 30.4 | Very low | 31.7 | Very low | 129 Ų | 129 | 138.5 Ų | 138.5 | 69% | 0.69 | 78% | 0.776 | S | S | * | * | trans | 69.1 | 115.1 | 141.7 | -64.2 | -22.3 | 0 | 0 | 0 | 125 | ||||
| 471 | F | 29.9 | Very low | 31.8 | Very low | 181 Ų | 181 | 137.2 Ų | 137.2 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | 69 | 135.4 | 125.3 | -85.8 | -82.1 | 0 | 0 | 0 | 125.2 | |||||
| 472 | L | 30.5 | Very low | 32.2 | Very low | 154 Ų | 154 | 138.3 Ų | 138.3 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | trans | 89.9 | 142.9 | 147.1 | -72.5 | 177.4 | 0 | 0 | 0 | 123 | ||||
| 473 | S | 32.6 | Very low | 33.2 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | 88.8 | 144.2 | 150.7 | -64.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 474 | E | 28.8 | Very low | 33.3 | Very low | 180 Ų | 180 | 133.1 Ų | 133.1 | 84% | 0.841 | 76% | 0.764 | S | S | * | * | trans | -102.4 | 164.4 | -164.3 | -63.2 | 156.4 | 68.6 | 0 | 0 | 113.9 | ||||
| 475 | S | 30.9 | Very low | 33.4 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | 86.3 | 147.3 | 146.3 | -69.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 476 | S | 29.7 | Very low | 33.5 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 84% | 0.839 | 76% | 0.764 | S | S | * | * | trans | 77.2 | 138.9 | 172.2 | -156.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 477 | S | 34.1 | Very low | 33.6 | Very low | 93 Ų | 93 | 130.6 Ų | 130.6 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | cis | 163.2 | 120.4 | -37.4 | 165.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 478 | Y | 27.8 | Very low | 33.7 | Very low | 187 Ų | 187 | 133.4 Ų | 133.4 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | -159.7 | 96.3 | 148.2 | -140.7 | -103.2 | 0 | 0 | 0 | 115.8 | ||||
| 479 | R | 31.1 | Very low | 33.7 | Very low | 171 Ų | 171 | 132 Ų | 132 | 65% | 0.645 | 77% | 0.766 | S | S | * | * | trans | 64.1 | 157.5 | 142.8 | -56.8 | -156.5 | -164.3 | -67.1 | -5.1 | 117.2 | ||||
| 480 | S | 31.3 | Very low | 32.9 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | cis | -132.2 | 163 | 29.5 | -68.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 481 | V | 31.7 | Very low | 34 | Very low | 133 Ų | 133 | 134.6 Ų | 134.6 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | trans | -78.3 | 148.7 | -168.5 | -96.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 482 | S | 37.8 | Very low | 33.9 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -84 | 174 | 152.2 | -46.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 483 | P | 49.4 | Very low | 34.1 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | -146 | -176.4 | 103.4 | 39.9 | -25.6 | 0 | 0 | 0 | 114.6 | |||||
| 484 | C | 32.9 | Very low | 33.9 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | trans | -129.3 | 169.5 | 164.6 | -55.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 485 | V | 36.8 | Very low | 34.4 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | trans | 67.1 | 158.1 | 175.2 | -42.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 486 | D | 31.2 | Very low | 34.4 | Very low | 138 Ų | 138 | 132.4 Ų | 132.4 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | cis | -153.3 | 171 | 7.3 | -139.8 | -39.3 | 0 | 0 | 0 | 113.6 | ||||
| 487 | S | 37.4 | Very low | 34.6 | Very low | 88 Ų | 88 | 132.4 Ų | 132.4 | 62% | 0.615 | 76% | 0.756 | S | S | * | * | trans | 53.7 | 115.7 | 154.1 | -56.4 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 488 | E | 33.5 | Very low | 34.5 | Very low | 198 Ų | 198 | 134.5 Ų | 134.5 | 93% | 0.925 | 76% | 0.76 | S | S | * | * | 64.2 | 134.3 | 124.5 | -58.3 | -175.1 | 174.2 | 0 | 0 | 123.6 | |||||
| 489 | G | 32.1 | Very low | 34.4 | Very low | 81 Ų | 81 | 136.3 Ų | 136.3 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | trans | 165.7 | 110.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 490 | E | 31.4 | Very low | 34.1 | Very low | 192 Ų | 192 | 132.5 Ų | 132.5 | 90% | 0.897 | 77% | 0.765 | S | S | * | * | trans | -91.1 | 178.7 | 157.4 | -90.1 | -147.6 | 154.2 | 0 | 0 | 109.9 | ||||
| 491 | P | 52.7 | Low | 34.8 | Very low | 92 Ų | 92 | 131.4 Ų | 131.4 | 60% | 0.597 | 76% | 0.755 | S | S | * | * | cis | -138.3 | -156.6 | 13.2 | 35.8 | -11.2 | 0 | 0 | 0 | 114.7 | ||||
| 492 | D | 28.9 | Very low | 34.8 | Very low | 141 Ų | 141 | 133 Ų | 133 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | trans | 69.4 | 155.5 | 152.6 | -66.3 | -15.2 | 0 | 0 | 0 | 118.6 | ||||
| 493 | V | 33.4 | Very low | 34.6 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | cis | -165.4 | 171.5 | -12.4 | -93.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 494 | D | 29.5 | Very low | 33.8 | Very low | 139 Ų | 139 | 136.8 Ų | 136.8 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | cis | -177.9 | 172.3 | -36.2 | -172.2 | 20.1 | 0 | 0 | 0 | 107.7 | ||||
| 495 | V | 39.4 | Very low | 33.6 | Very low | 111 Ų | 111 | 140.3 Ų | 140.3 | 67% | 0.673 | 76% | 0.755 | S | S | * | * | trans | 59 | 98.8 | 167.4 | -173.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 496 | E | 30.4 | Very low | 33.1 | Very low | 179 Ų | 179 | 141.1 Ų | 141.1 | 84% | 0.836 | 75% | 0.754 | S | S | * | * | 64.6 | 126 | 69.5 | -163.8 | 179.5 | 144.6 | 0 | 0 | 115.7 | |||||
| 497 | T | 34.3 | Very low | 33.8 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | trans | -149 | 111.5 | 172.9 | -36.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 498 | N | 30.6 | Very low | 33.3 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | 36.9 | 133.3 | 154.5 | -70.4 | -79.7 | 0 | 0 | 0 | 119.6 | ||||
| 499 | R | 26.1 | Very low | 33.8 | Very low | 224 Ų | 224 | 135.4 Ų | 135.4 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | cis | -165.4 | 106.1 | 47.9 | -162.6 | 165.3 | -162.2 | 148.8 | 5.5 | 113.9 | ||||
| 500 | S | 24.4 | Very low | 33.5 | Very low | 92 Ų | 92 | 142.7 Ų | 142.7 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | trans | 29.5 | 152.8 | 133.6 | 67.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 501 | P | 46.8 | Very low | 33.7 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 63% | 0.63 | 75% | 0.753 | S | S | * | * | cis | -149.8 | -166.6 | -27.5 | 40.8 | -20.4 | 0 | 0 | 0 | 115.6 | ||||
| 502 | E | 31.5 | Very low | 33.5 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | 88.4 | 120.6 | 144 | -82.6 | 152.9 | -169.2 | 0 | 0 | 123 | ||||
| 503 | E | 33.5 | Very low | 33.4 | Very low | 164 Ų | 164 | 142.3 Ų | 142.3 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | trans | 67.4 | 152.2 | 146.1 | -63.2 | -166.8 | 125.2 | 0 | 0 | 121.9 | ||||
| 504 | Q | 32.3 | Very low | 33 | Very low | 143 Ų | 143 | 139.6 Ų | 139.6 | 67% | 0.668 | 76% | 0.764 | S | S | * | * | cis | -169.6 | 152.3 | -24.4 | -177 | 163.4 | 109.6 | 0 | 0 | 110.6 | ||||
| 505 | E | 29.9 | Very low | 33 | Very low | 185 Ų | 185 | 141.7 Ų | 141.7 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | 69.2 | 176 | 158.6 | -86 | 179.6 | 163.6 | 0 | 0 | 124.2 | ||||
| 506 | D | 25.5 | Very low | 32.4 | Very low | 148 Ų | 148 | 140 Ų | 140 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | -120.8 | -162.9 | -165.7 | -164.5 | 28.7 | 0 | 0 | 0 | 108.8 | ||||
| 507 | P | 45.4 | Very low | 32.6 | Very low | 103 Ų | 103 | 139.9 Ų | 139.9 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | cis | -125.2 | 132.8 | -35.3 | 12.7 | 11.9 | 0 | 0 | 0 | 115.9 | ||||
| 508 | G | 28.8 | Very low | 32.3 | Very low | 81 Ų | 81 | 139.6 Ų | 139.6 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | trans | 59.4 | -164.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 509 | P | 42.3 | Very low | 32.2 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | cis | -126.7 | 161.5 | -26.5 | 40.3 | -26.7 | 0 | 0 | 0 | 114.8 | ||||
| 510 | R | 27.1 | Very low | 32.6 | Very low | 234 Ų | 234 | 131.9 Ų | 131.9 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | trans | 53.5 | 109.4 | 159.4 | -68.9 | -179.4 | 177.2 | 158.4 | 0.9 | 121 | ||||
| 511 | T | 35.1 | Very low | 33.1 | Very low | 133 Ų | 133 | 133.7 Ų | 133.7 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | trans | 18.7 | 148.7 | 132.7 | 39.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 512 | P | 48.5 | Very low | 32.4 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | cis | -144 | -170.6 | 36.8 | 40.4 | -19.9 | 0 | 0 | 0 | 117.6 | ||||
| 513 | L | 26.1 | Very low | 32.4 | Very low | 177 Ų | 177 | 135.6 Ų | 135.6 | 93% | 0.927 | 78% | 0.782 | S | S | * | * | trans | 79.3 | 131.1 | 176.4 | -52.7 | 167 | 0 | 0 | 0 | 115.4 | ||||
| 514 | G | 25.7 | Very low | 32.3 | Very low | 70 Ų | 70 | 133.3 Ų | 133.3 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | cis | 178.1 | 157.7 | -10.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 515 | L | 28.9 | Very low | 32 | Very low | 184 Ų | 184 | 135.2 Ų | 135.2 | 96% | 0.963 | 79% | 0.793 | S | S | * | * | trans | 66.1 | 132.9 | 169.9 | -80 | 161.2 | 0 | 0 | 0 | 120.7 | ||||
| 516 | A | 28.3 | Very low | 33 | Very low | 74 Ų | 74 | 131.2 Ų | 131.2 | 61% | 0.612 | 78% | 0.783 | S | S | * | * | trans | -158.5 | 162 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 517 | H | 32.6 | Very low | 32.9 | Very low | 178 Ų | 178 | 129.9 Ų | 129.9 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | cis | -145 | 160.6 | 12.4 | -96.3 | -73.4 | 0 | 0 | 0 | 112.5 | ||||
| 518 | S | 29.2 | Very low | 32.1 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | 58.9 | 110.3 | 146.6 | 62.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 519 | A | 28.5 | Very low | 32 | Very low | 96 Ų | 96 | 134.8 Ų | 134.8 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | trans | -161 | 156.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 520 | S | 33.6 | Very low | 31.3 | Very low | 103 Ų | 103 | 133.8 Ų | 133.8 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | cis | -164 | 164.3 | -16.9 | -93.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 521 | P | 36.5 | Very low | 31.2 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | trans | -68.5 | 158.2 | 167.6 | 31 | -34.8 | 0 | 0 | 0 | 111.6 | ||||
| 522 | K | 31.8 | Very low | 30.6 | Very low | 176 Ų | 176 | 130 Ų | 130 | 77% | 0.765 | 80% | 0.801 | S | S | * | * | trans | -89.4 | 141.4 | -161.1 | -85.6 | 178.4 | 151.1 | -86.2 | 0 | 116.2 | ||||
| 523 | D | 30.6 | Very low | 29.5 | Very low | 128 Ų | 128 | 129.6 Ų | 129.6 | 68% | 0.684 | 80% | 0.8 | S | S | * | * | 53.5 | 147 | 128 | -45.1 | -26 | 0 | 0 | 0 | 120.2 | |||||
| 524 | S | 30.8 | Very low | 29.4 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | cis | -148.9 | 148.1 | 9.1 | 55 | 0 | 0 | 0 | 0 | 114 | ||||
| 525 | E | 26.7 | Very low | 29.4 | Very low | 183 Ų | 183 | 130.7 Ų | 130.7 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | -95.1 | -163 | 171.7 | -118.1 | -152 | 144.1 | 0 | 0 | 111.5 | ||||
| 526 | P | 51.2 | Low | 29.4 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | cis | -135.2 | -178.3 | -22.5 | 29.4 | -8.8 | 0 | 0 | 0 | 114.2 | ||||
| 527 | S | 23.4 | Very low | 29.5 | Very low | 121 Ų | 121 | 129.9 Ų | 129.9 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | -158.8 | 152.7 | 132.5 | 52 | 0 | 0 | 0 | 0 | 115 | ||||
| 528 | K | 29 | Very low | 29.5 | Very low | 214 Ų | 214 | 128.9 Ų | 128.9 | 93% | 0.93 | 77% | 0.772 | S | S | * | * | trans | -58.4 | 154.4 | -176 | -51.5 | 163.6 | -177.4 | 176 | 0 | 112.5 | ||||
| 529 | G | 26 | Very low | 29.5 | Very low | 72 Ų | 72 | 130.8 Ų | 130.8 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | cis | 126.3 | 135.5 | 22.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 530 | A | 27.7 | Very low | 29.6 | Very low | 100 Ų | 100 | 133.9 Ų | 133.9 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | trans | 79.2 | 137.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 531 | E | 24.8 | Very low | 29.3 | Very low | 203 Ų | 203 | 135.6 Ų | 135.6 | 95% | 0.949 | 77% | 0.767 | S | S | * | * | trans | 57.2 | 160.9 | 158.9 | -57.5 | -166.6 | 145.9 | 0 | 0 | 120.7 | ||||
| 532 | G | 22.3 | Very low | 29 | Very low | 83 Ų | 83 | 135.4 Ų | 135.4 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | trans | 139.2 | 135.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 533 | S | 24.9 | Very low | 28.8 | Very low | 99 Ų | 99 | 135.2 Ų | 135.2 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | trans | -105.1 | 171 | -176.6 | -164.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 534 | E | 24.9 | Very low | 28.7 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | 80.8 | 137.3 | 143.6 | -87.1 | 149.7 | -108.2 | 0 | 0 | 125.2 | ||||
| 535 | N | 26.1 | Very low | 28.6 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 64% | 0.642 | 76% | 0.758 | S | S | * | * | trans | 67.1 | 110.9 | 140.1 | -58.3 | -17.9 | 0 | 0 | 0 | 119.6 | ||||
| 536 | E | 29.3 | Very low | 28.7 | Very low | 176 Ų | 176 | 133.5 Ų | 133.5 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | 94.9 | 144.9 | 90.1 | -83.6 | -145.3 | 89.1 | 0 | 0 | 113 | |||||
| 537 | A | 30.6 | Very low | 27.6 | Very low | 66 Ų | 66 | 133.7 Ų | 133.7 | 55% | 0.545 | 76% | 0.761 | S | S | . | * | cis | -167 | -179 | -12.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 538 | Q | 31.1 | Very low | 27.8 | Very low | 157 Ų | 157 | 132.8 Ų | 132.8 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | trans | 77 | 140.4 | 165.9 | -50.9 | -167.6 | 29.6 | 0 | 0 | 116 | ||||
| 539 | K | 30.1 | Very low | 27.8 | Very low | 153 Ų | 153 | 129.8 Ų | 129.8 | 67% | 0.665 | 75% | 0.748 | S | S | * | * | cis | -155.6 | 134.9 | 5.3 | -138.6 | 168.6 | -173 | 141.2 | 0 | 113.2 | ||||
| 540 | M | 31.2 | Very low | 28 | Very low | 161 Ų | 161 | 135.4 Ų | 135.4 | 79% | 0.793 | 75% | 0.747 | S | S | * | * | trans | 50.7 | 145.3 | 149.7 | 77.1 | -161.6 | -154 | 0 | 0 | 120.5 | ||||
| 541 | N | 26.6 | Very low | 28.1 | Very low | 139 Ų | 139 | 136.7 Ų | 136.7 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | cis | -145.2 | 173.5 | 17 | -149.6 | -8.6 | 0 | 0 | 0 | 113.6 | ||||
| 542 | L | 29.8 | Very low | 28.3 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 67% | 0.665 | 73% | 0.727 | S | S | * | * | trans | -48.8 | 142.7 | -171.1 | -89.1 | 62.7 | 0 | 0 | 0 | 116 | ||||
| 543 | Q | 28.5 | Very low | 28.6 | Very low | 171 Ų | 171 | 137.6 Ų | 137.6 | 80% | 0.799 | 72% | 0.722 | S | S | * | * | 69 | 152.1 | 66.7 | -61.9 | -178.6 | -8.9 | 0 | 0 | 113.3 | |||||
| 544 | V | 28.3 | Very low | 28.7 | Very low | 134 Ų | 134 | 136.5 Ų | 136.5 | 81% | 0.812 | 72% | 0.715 | S | S | * | * | cis | -133.7 | 165.1 | 29 | 173.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 545 | A | 28.7 | Very low | 28.9 | Very low | 78 Ų | 78 | 137.8 Ų | 137.8 | 65% | 0.645 | 72% | 0.718 | S | S | * | * | trans | -139.8 | 165.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 546 | Q | 28.9 | Very low | 28.9 | Very low | 179 Ų | 179 | 140 Ų | 140 | 84% | 0.836 | 73% | 0.725 | S | S | * | * | trans | 69.5 | 131.8 | 149.9 | -74.9 | -177.3 | 46.1 | 0 | 0 | 123.2 | ||||
| 547 | S | 27 | Very low | 28.8 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | 105.9 | 132 | 123.7 | 66.5 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 548 | S | 27.8 | Very low | 29.9 | Very low | 103 Ų | 103 | 140.7 Ų | 140.7 | 72% | 0.72 | 73% | 0.729 | S | S | * | * | trans | 64 | 100.3 | 138.8 | 61.1 | 0 | 0 | 0 | 0 | 124 | ||||
| 549 | D | 28.7 | Very low | 29.7 | Very low | 150 Ų | 150 | 141 Ų | 141 | 80% | 0.802 | 73% | 0.731 | S | S | * | * | 82.9 | 153.1 | 104.6 | -135.2 | -25.5 | 0 | 0 | 0 | 122.6 | |||||
| 550 | R | 31.5 | Very low | 29.9 | Very low | 190 Ų | 190 | 140.6 Ų | 140.6 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | trans | 71.5 | 146.5 | 168 | -53.1 | -174.3 | 81.6 | 124.6 | 9.4 | 116.8 | ||||
| 551 | E | 28.5 | Very low | 29.9 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 60% | 0.598 | 73% | 0.73 | S | S | * | * | cis | -165.1 | -179.2 | -7.8 | -123.5 | 175.9 | 150.8 | 0 | 0 | 112 | ||||
| 552 | L | 29.8 | Very low | 30.2 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 75% | 0.749 | 74% | 0.735 | S | S | * | * | trans | 75.1 | 142.3 | 166.2 | -47 | -170.5 | 0 | 0 | 0 | 116.6 | ||||
| 553 | Q | 29.1 | Very low | 30.2 | Very low | 161 Ų | 161 | 140.9 Ų | 140.9 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | cis | -172.3 | 172.6 | -20.3 | -126.2 | -164.4 | 101.4 | 0 | 0 | 107.2 | ||||
| 554 | S | 26.7 | Very low | 30.4 | Very low | 77 Ų | 77 | 137.2 Ų | 137.2 | 54% | 0.538 | 74% | 0.742 | S | S | . | * | cis | -167 | 176.1 | -2.9 | -152 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 555 | K | 29.2 | Very low | 31.7 | Very low | 176 Ų | 176 | 136.4 Ų | 136.4 | 77% | 0.765 | 74% | 0.739 | S | S | * | * | trans | 67 | 137.6 | 154 | -75.8 | 178.7 | 179.7 | -177 | 0 | 120.1 | ||||
| 556 | Q | 26 | Very low | 31.8 | Very low | 168 Ų | 168 | 141.6 Ų | 141.6 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | cis | -155.5 | 158.9 | -5.2 | -156.2 | 161.7 | -57.1 | 0 | 0 | 113.3 | ||||
| 557 | L | 26.4 | Very low | 32 | Very low | 151 Ų | 151 | 138 Ų | 138 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | trans | -90.6 | -175.7 | 177.7 | -91.1 | 164.2 | 0 | 0 | 0 | 112.8 | ||||
| 558 | P | 53.8 | Low | 32 | Very low | 105 Ų | 105 | 142.3 Ų | 142.3 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | cis | -118.2 | -160.3 | 8.1 | 28.7 | -3.4 | 0 | 0 | 0 | 112.9 | ||||
| 559 | E | 26.8 | Very low | 32.2 | Very low | 164 Ų | 164 | 143.4 Ų | 143.4 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | cis | -138.2 | 152.9 | 16.1 | -93.3 | -165.1 | 71.3 | 0 | 0 | 111.1 | ||||
| 560 | H | 35.5 | Very low | 32 | Very low | 144 Ų | 144 | 146.2 Ų | 146.2 | 67% | 0.667 | 75% | 0.75 | S | S | * | * | 68.5 | 129.6 | 70.7 | -77 | -114.6 | 0 | 0 | 0 | 115.3 | |||||
| 561 | H | 30.4 | Very low | 32.3 | Very low | 167 Ų | 167 | 143 Ų | 143 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | cis | -139.1 | -179.8 | 15.5 | -111.6 | -78 | 0 | 0 | 0 | 114.1 | ||||
| 562 | I | 33.1 | Very low | 33.2 | Very low | 165 Ų | 165 | 142.8 Ų | 142.8 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | trans | -127.5 | 141.9 | -174.5 | -62.9 | 164 | 0 | 0 | 0 | 111 | ||||
| 563 | A | 28.8 | Very low | 33.2 | Very low | 101 Ų | 101 | 142.4 Ų | 142.4 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | trans | 178.9 | 151.3 | 140.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 564 | A | 33.7 | Very low | 33.3 | Very low | 94 Ų | 94 | 144.1 Ų | 144.1 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | trans | -143.4 | 178.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 565 | P | 54.9 | Low | 33.4 | Very low | 116 Ų | 116 | 145.2 Ų | 145.2 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | cis | -149.9 | -171.8 | 22.1 | 42.6 | -19.6 | 0 | 0 | 0 | 118.4 | ||||
| 566 | F | 32.1 | Very low | 33.4 | Very low | 187 Ų | 187 | 144.2 Ų | 144.2 | 82% | 0.82 | 77% | 0.771 | S | S | * | * | trans | 75.5 | 105.7 | 145.2 | -115.4 | -113.9 | 0 | 0 | 0 | 123.7 | ||||
| 567 | T | 31.5 | Very low | 33.5 | Very low | 103 Ų | 103 | 143.3 Ų | 143.3 | 63% | 0.632 | 77% | 0.771 | S | S | * | * | 57.7 | 119 | 121.7 | -48.8 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 568 | E | 27.1 | Very low | 33.6 | Very low | 196 Ų | 196 | 143.2 Ų | 143.2 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | -154.3 | -179.7 | 128.6 | -135.6 | -178 | -172.6 | 0 | 0 | 112.6 | |||||
| 569 | V | 31.8 | Very low | 32.5 | Very low | 125 Ų | 125 | 147.5 Ų | 147.5 | 76% | 0.758 | 78% | 0.778 | S | S | * | * | trans | -136.8 | 127.8 | -164.3 | 173.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 570 | Y | 26.3 | Very low | 32.6 | Very low | 209 Ų | 209 | 150.4 Ų | 150.4 | 82% | 0.82 | 78% | 0.781 | S | S | * | * | trans | -162.9 | 157.5 | 144.4 | -143.5 | -105.6 | 0 | 0 | 0 | 114.8 | ||||
| 571 | T | 37.4 | Very low | 32.3 | Very low | 123 Ų | 123 | 148.3 Ų | 148.3 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -143.2 | 127.4 | 168 | 52.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 572 | P | 45.8 | Very low | 32.3 | Very low | 124 Ų | 124 | 145.6 Ų | 145.6 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | trans | -98.8 | 161.6 | 167.5 | 34.7 | -29.1 | 0 | 0 | 0 | 113.6 | ||||
| 573 | D | 31.2 | Very low | 33.1 | Very low | 134 Ų | 134 | 142.7 Ų | 142.7 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | trans | -90.8 | 170.7 | -161.9 | -175 | 32.3 | 0 | 0 | 0 | 115.4 | ||||
| 574 | R | 30.3 | Very low | 33.1 | Very low | 197 Ų | 197 | 148 Ų | 148 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | trans | 50 | 128.6 | 149.5 | -98.3 | -179.8 | 140.6 | 92.4 | 8.5 | 121.8 | ||||
| 575 | A | 29.2 | Very low | 33 | Very low | 101 Ų | 101 | 151.1 Ų | 151.1 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | -166.8 | 151.2 | 101.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 576 | E | 29.1 | Very low | 31.6 | Very low | 155 Ų | 155 | 153.4 Ų | 153.4 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | trans | -101.1 | 147.8 | 167.2 | -63.3 | 166.9 | 89.3 | 0 | 0 | 109.8 | ||||
| 577 | L | 29 | Very low | 31.5 | Very low | 149 Ų | 149 | 155 Ų | 155 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | -179.5 | 155.8 | 113 | -116.7 | 87.3 | 0 | 0 | 0 | 113.7 | |||||
| 578 | Q | 27.1 | Very low | 32 | Very low | 149 Ų | 149 | 154.5 Ų | 154.5 | 70% | 0.696 | 77% | 0.77 | S | S | * | * | trans | 3.5 | 135 | 155.8 | -92.4 | 70.3 | -18.9 | 0 | 0 | 119.9 | ||||
| 579 | Q | 31.3 | Very low | 32.2 | Very low | 195 Ų | 195 | 150.7 Ų | 150.7 | 91% | 0.911 | 76% | 0.761 | S | S | * | * | -149 | 123.3 | 104.6 | -111.5 | 168.3 | 31.3 | 0 | 0 | 115.3 | |||||
| 580 | R | 29.8 | Very low | 32.1 | Very low | 225 Ų | 225 | 150.1 Ų | 150.1 | 85% | 0.849 | 75% | 0.753 | S | S | * | * | trans | -68.7 | 164.1 | 152.3 | -94.3 | -175.2 | 173 | -166.2 | -0.5 | 108.8 | ||||
| 581 | S | 28.9 | Very low | 32.3 | Very low | 99 Ų | 99 | 149.1 Ų | 149.1 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | cis | -170 | 160.5 | -3.7 | 39.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 582 | S | 30.8 | Very low | 32 | Very low | 110 Ų | 110 | 150.3 Ų | 150.3 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | trans | -62 | 153.1 | 161.8 | -153 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 583 | P | 49.8 | Very low | 31.2 | Very low | 105 Ų | 105 | 150.2 Ų | 150.2 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | -154.8 | 159.9 | 82.1 | 42.5 | -23.7 | 0 | 0 | 0 | 119.1 | |||||
| 584 | Y | 28.2 | Very low | 31.1 | Very low | 213 Ų | 213 | 148.3 Ų | 148.3 | 84% | 0.835 | 75% | 0.751 | S | S | * | * | trans | 77.4 | 132.6 | 138 | -96.5 | -55.4 | 0 | 0 | 0 | 125.5 | ||||
| 585 | Q | 31.1 | Very low | 31.1 | Very low | 159 Ų | 159 | 144.8 Ų | 144.8 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | trans | 98.5 | 110.3 | 144.2 | -68.3 | -165 | -69.1 | 0 | 0 | 124 | ||||
| 586 | F | 25.5 | Very low | 31.2 | Very low | 163 Ų | 163 | 147.1 Ų | 147.1 | 72% | 0.715 | 75% | 0.748 | S | S | * | * | trans | 64.3 | 110.2 | 132 | -81.2 | -107.6 | 0 | 0 | 0 | 124.1 | ||||
| 587 | R | 30.4 | Very low | 31.3 | Very low | 222 Ų | 222 | 145.1 Ų | 145.1 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | 55.8 | 166.5 | 116.8 | -87.5 | -167.3 | 175.2 | -160.7 | 0.5 | 121.3 | |||||
| 588 | P | 42.9 | Very low | 31.3 | Very low | 91 Ų | 91 | 144.1 Ų | 144.1 | 59% | 0.591 | 75% | 0.747 | S | S | * | * | cis | -141.6 | 166.7 | -27.9 | 37.5 | -19.6 | 0 | 0 | 0 | 116.4 | ||||
| 589 | T | 30.6 | Very low | 31.3 | Very low | 117 Ų | 117 | 144 Ų | 144 | 72% | 0.718 | 75% | 0.751 | S | S | * | * | trans | 60.1 | 155.2 | 145.8 | 51.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 590 | N | 30.7 | Very low | 31.1 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 60% | 0.599 | 75% | 0.745 | S | S | * | * | cis | -165 | 167.1 | -6.3 | -118.4 | -0.1 | 0 | 0 | 0 | 113.7 | ||||
| 591 | Y | 28.8 | Very low | 31.2 | Very low | 189 Ų | 189 | 139.7 Ų | 139.7 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | trans | 80.4 | 125 | 144.9 | -73 | -43.3 | 0 | 0 | 0 | 125.8 | ||||
| 592 | L | 32.7 | Very low | 31.2 | Very low | 147 Ų | 147 | 140.4 Ų | 140.4 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | 66.5 | 150.2 | 136.9 | -57.7 | 168.1 | 0 | 0 | 0 | 120.8 | ||||
| 593 | T | 28.6 | Very low | 31.3 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | cis | -174.1 | 140.1 | -25.5 | -97.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 594 | A | 28.7 | Very low | 30.2 | Very low | 95 Ų | 95 | 140.6 Ų | 140.6 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | 158.8 | 152.8 | 155.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 595 | V | 30.8 | Very low | 30.4 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 74% | 0.739 | 76% | 0.757 | S | S | * | * | cis | -165.6 | 140.3 | -28.3 | 102.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 596 | L | 31.4 | Very low | 30.5 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | trans | 59.4 | 151.9 | 165.4 | -63.4 | 173.1 | 0 | 0 | 0 | 119.7 | ||||
| 597 | T | 29.9 | Very low | 30.7 | Very low | 113 Ų | 113 | 138.7 Ų | 138.7 | 69% | 0.693 | 76% | 0.758 | S | S | * | * | cis | -170.8 | 143.3 | -34.4 | 20.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 598 | T | 28.6 | Very low | 31.7 | Very low | 128 Ų | 128 | 132.9 Ų | 132.9 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | 176.1 | 124.9 | 128.7 | 36.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 599 | N | 28.6 | Very low | 31 | Very low | 146 Ų | 146 | 133.9 Ų | 133.9 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | trans | 72.8 | 149.3 | 142.7 | -63.1 | 23.4 | 0 | 0 | 0 | 123.3 | ||||
| 600 | D | 27.2 | Very low | 30.9 | Very low | 147 Ų | 147 | 133 Ų | 133 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | trans | 58.9 | 73.5 | 164.3 | -69.4 | -112.4 | 0 | 0 | 0 | 121.2 | ||||
| 601 | E | 30.6 | Very low | 30.9 | Very low | 182 Ų | 182 | 133.9 Ų | 133.9 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | -20.3 | 143.3 | 123.9 | -171.2 | 166.9 | 115.4 | 0 | 0 | 115.6 | |||||
| 602 | S | 29 | Very low | 31.1 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | cis | -151.3 | 169.7 | -0.3 | -134.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 603 | A | 33.1 | Very low | 31.1 | Very low | 98 Ų | 98 | 131.2 Ų | 131.2 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | -112.5 | 165 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 604 | S | 27.7 | Very low | 31.2 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | trans | -132.8 | 129.4 | 167.2 | 60.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 605 | K | 31.9 | Very low | 31.3 | Very low | 175 Ų | 175 | 134 Ų | 134 | 76% | 0.761 | 76% | 0.756 | S | S | * | * | trans | -140.9 | 121.8 | 177.1 | -117.5 | -170.6 | 173.6 | -98 | 0 | 110.5 | ||||
| 606 | E | 31.9 | Very low | 31.2 | Very low | 149 Ų | 149 | 136.1 Ų | 136.1 | 70% | 0.696 | 76% | 0.757 | S | S | * | * | trans | 42.1 | 133.9 | 132.4 | -62.9 | -177.7 | 124.2 | 0 | 0 | 121.9 | ||||
| 607 | E | 31 | Very low | 31.1 | Very low | 170 Ų | 170 | 133.1 Ų | 133.1 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | trans | 76.5 | 159 | 144.8 | -67.7 | -82.5 | 83.7 | 0 | 0 | 119.5 | ||||
| 608 | P | 51 | Low | 31.1 | Very low | 101 Ų | 101 | 136.4 Ų | 136.4 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | cis | -138.4 | 154.7 | -24.3 | 31.8 | -12 | 0 | 0 | 0 | 117.2 | ||||
| 609 | S | 28.8 | Very low | 31.1 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 78% | 0.783 | 75% | 0.748 | S | S | * | * | trans | 30.7 | 133.2 | 136.7 | -159.8 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 610 | S | 28.7 | Very low | 31.1 | Very low | 97 Ų | 97 | 137.2 Ų | 137.2 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | 155.9 | 159.7 | 106.2 | -162.4 | 0 | 0 | 0 | 0 | 116 | |||||
| 611 | T | 30.9 | Very low | 31.2 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | trans | 65.8 | 150.5 | 167.6 | 60 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 612 | V | 32.5 | Very low | 31 | Very low | 110 Ų | 110 | 131 Ų | 131 | 67% | 0.667 | 74% | 0.738 | S | S | * | * | cis | -168.9 | 149.5 | -28.8 | 69 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 613 | E | 32.2 | Very low | 31.1 | Very low | 169 Ų | 169 | 134.7 Ų | 134.7 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | trans | 58.7 | 158.4 | 159.1 | -85.1 | 160.5 | -165.4 | 0 | 0 | 119.7 | ||||
| 614 | E | 31.2 | Very low | 30.9 | Very low | 152 Ų | 152 | 135.6 Ų | 135.6 | 71% | 0.71 | 74% | 0.743 | S | S | * | * | cis | -155.2 | 170.1 | -17.6 | -142.8 | -165.5 | 160.1 | 0 | 0 | 112.2 | ||||
| 615 | I | 31.3 | Very low | 31.1 | Very low | 125 Ų | 125 | 135.3 Ų | 135.3 | 64% | 0.641 | 74% | 0.741 | S | S | * | * | trans | 23.6 | 134.6 | 161 | 53.4 | 153.1 | 0 | 0 | 0 | 126.5 | ||||
| 616 | E | 28.6 | Very low | 31.3 | Very low | 165 Ų | 165 | 134.5 Ų | 134.5 | 77% | 0.771 | 75% | 0.745 | S | S | * | * | trans | 61.8 | 156.2 | 136 | -67.1 | -154.4 | 120.8 | 0 | 0 | 122.2 | ||||
| 617 | T | 28 | Very low | 31.4 | Very low | 88 Ų | 88 | 136.8 Ų | 136.8 | 54% | 0.54 | 76% | 0.756 | S | S | . | * | cis | -158 | 162.3 | -10.9 | 19 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 618 | K | 30.6 | Very low | 31.3 | Very low | 183 Ų | 183 | 133.3 Ų | 133.3 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | trans | 66.1 | 143.3 | 150.3 | -71.3 | 158.5 | -177.4 | 158.4 | 0 | 118.3 | ||||
| 619 | S | 29 | Very low | 30.3 | Very low | 104 Ų | 104 | 137 Ų | 137 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | cis | -151.8 | -137.4 | -12.5 | -84.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 620 | F | 27.1 | Very low | 30.5 | Very low | 187 Ų | 187 | 141.4 Ų | 141.4 | 82% | 0.82 | 76% | 0.758 | S | S | * | * | cis | -167.8 | 146.7 | -2.6 | -168.6 | -96.1 | 0 | 0 | 0 | 107.1 | ||||
| 621 | N | 29.3 | Very low | 30.5 | Very low | 130 Ų | 130 | 143.7 Ų | 143.7 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | cis | -165.6 | 156 | -25.9 | -178.9 | 16 | 0 | 0 | 0 | 106.7 | ||||
| 622 | G | 27.5 | Very low | 31.6 | Very low | 69 Ų | 69 | 142.8 Ų | 142.8 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | trans | -172.6 | 86.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 623 | Q | 30.6 | Very low | 31.5 | Very low | 191 Ų | 191 | 145 Ų | 145 | 89% | 0.893 | 76% | 0.762 | S | S | * | * | trans | 1.8 | 142 | 159.4 | -62.3 | 168 | -11.7 | 0 | 0 | 119 | ||||
| 624 | S | 29.4 | Very low | 31.5 | Very low | 117 Ų | 117 | 145.7 Ų | 145.7 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | cis | -150 | 165.1 | 18.9 | -170.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 625 | S | 32.7 | Very low | 31.6 | Very low | 115 Ų | 115 | 141.6 Ų | 141.6 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -88.6 | 164.9 | -178.4 | 51.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 626 | D | 35.7 | Very low | 31.8 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | -130.5 | 129.6 | 171.3 | -179.5 | 5.9 | 0 | 0 | 0 | 108.4 | ||||
| 627 | E | 32.5 | Very low | 32 | Very low | 197 Ų | 197 | 142.8 Ų | 142.8 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | trans | -156.1 | 155.6 | 167.9 | -161.6 | 171.6 | 98.3 | 0 | 0 | 110.9 | ||||
| 628 | S | 30.2 | Very low | 32.5 | Very low | 96 Ų | 96 | 143.4 Ų | 143.4 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | trans | -144.4 | 119.5 | -171.6 | -169.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 629 | Q | 30.6 | Very low | 32.9 | Very low | 178 Ų | 178 | 146.6 Ų | 146.6 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -168.2 | 124 | 148.1 | -100.1 | 143.7 | 101.6 | 0 | 0 | 106.9 | ||||
| 630 | R | 31.3 | Very low | 33.4 | Very low | 206 Ų | 206 | 149.2 Ų | 149.2 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | 61.4 | 135.9 | 66.5 | -116.6 | -157.2 | -80 | 175.7 | -0.1 | 112.5 | |||||
| 631 | E | 29.8 | Very low | 34.3 | Very low | 145 Ų | 145 | 149.7 Ų | 149.7 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | cis | -122.7 | -131.5 | 22.7 | -73.7 | -88.6 | 175.9 | 0 | 0 | 113.2 | ||||
| 632 | P | 54.3 | Low | 34.8 | Very low | 112 Ų | 112 | 153.6 Ų | 153.6 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | -127.6 | 173.6 | -107.7 | 40.9 | -24.8 | 0 | 0 | 0 | 116 | |||||
| 633 | D | 30.1 | Very low | 35.1 | Very low | 156 Ų | 156 | 157.9 Ų | 157.9 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | trans | -153.8 | 169.9 | 148.6 | -148.4 | -1.6 | 0 | 0 | 0 | 113.4 | ||||
| 634 | E | 32.6 | Very low | 35.4 | Very low | 185 Ų | 185 | 156.1 Ų | 156.1 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | -77.3 | 161.7 | -158.1 | -65.8 | 177.6 | 164.2 | 0 | 0 | 118.4 | ||||
| 635 | G | 32.5 | Very low | 35.7 | Very low | 65 Ų | 65 | 158.3 Ų | 158.3 | 67% | 0.67 | 80% | 0.804 | S | S | * | * | 112.3 | 87.2 | 106.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 636 | E | 35.1 | Very low | 35.9 | Very low | 184 Ų | 184 | 160.8 Ų | 160.8 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | 57.8 | 172.7 | 140.3 | -56.9 | -158 | 120.3 | 0 | 0 | 119.1 | ||||
| 637 | L | 33.9 | Very low | 35.9 | Very low | 131 Ų | 131 | 160.9 Ų | 160.9 | 69% | 0.686 | 80% | 0.801 | S | S | * | * | cis | -138.8 | 147.1 | -3.4 | -163.1 | 71.4 | 0 | 0 | 0 | 111.5 | ||||
| 638 | V | 37.1 | Very low | 36.1 | Very low | 101 Ų | 101 | 158.5 Ų | 158.5 | 61% | 0.612 | 79% | 0.793 | S | S | * | * | trans | 3 | 138.4 | 154 | -178.6 | 0 | 0 | 0 | 0 | 119.6 | E640 | V638-E640 HydrophobicContact CG1-CG 3.88Š| ||
| 639 | R | 38.6 | Very low | 36.5 | Very low | 251 Ų | 251 | 163 Ų | 163 | 95% | 0.947 | 80% | 0.802 | S | S | * | * | trans | -139.5 | 120.2 | 134.1 | -116 | 173 | -167.5 | 162.9 | 8.2 | 112.8 | ||||
| 640 | E | 40.7 | Very low | 37 | Very low | 159 Ų | 159 | 161.8 Ų | 161.8 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | trans | -74.3 | 156.4 | 178.9 | -55.5 | 137 | 91.1 | 0 | 0 | 112.9 | V638 | V638-E640 HydrophobicContact CG1-CG 3.88Š| ||
| 641 | K | 45.7 | Very low | 37.4 | Very low | 196 Ų | 196 | 158.2 Ų | 158.2 | 85% | 0.852 | 80% | 0.801 | S | S | * | * | -178.8 | 137.6 | 122.2 | -97.2 | 155.6 | -174.3 | 176 | 0 | 109.5 | |||||
| 642 | N | 38.9 | Very low | 38.1 | Very low | 213 Ų | 213 | 159.4 Ų | 159.4 | 100% | 1.139 | 81% | 0.812 | S | S | * | * | cis | -152.5 | 0 | -3 | -163.6 | 116.5 | 0 | 0 | 0 | 108.3 |
Retrieved 642 of 642 residues in 283.4 ms
(Link to these results)