| 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 | 31.6 | Very low | 33.4 | Very low | 227 Ų | 227 | 154.8 Ų | 154.8 | 100% | 1.118 | 81% | 0.81 | S | S | * | * | 0 | 121.4 | 0 | -72.5 | 165.3 | 177.3 | 0 | 0 | 106.2 | |||||
| 2 | L | 27 | Very low | 33.3 | Very low | 152 Ų | 152 | 154.4 Ų | 154.4 | 80% | 0.796 | 81% | 0.808 | S | S | * | * | 66.7 | 125.5 | 71.1 | -60.4 | 172.6 | 0 | 0 | 0 | 110.1 | |||||
| 3 | L | 29.8 | Very low | 33.3 | Very low | 156 Ų | 156 | 152.5 Ų | 152.5 | 82% | 0.817 | 81% | 0.807 | S | S | * | * | cis | -151.6 | 165.5 | 10.8 | -113.2 | 159.1 | 0 | 0 | 0 | 114.1 | ||||
| 4 | Q | 33.8 | Very low | 33.5 | Very low | 165 Ų | 165 | 150.9 Ų | 150.9 | 77% | 0.771 | 81% | 0.805 | S | S | * | * | trans | -72.7 | 176.5 | 169.3 | -120.8 | 179.7 | -1.1 | 0 | 0 | 110.9 | ||||
| 5 | P | 41.2 | Very low | 33.5 | Very low | 103 Ų | 103 | 148.9 Ų | 148.9 | 67% | 0.669 | 80% | 0.801 | S | S | * | * | -158.1 | 164.8 | 52.4 | 43.6 | -22 | 0 | 0 | 0 | 120.8 | |||||
| 6 | N | 31.3 | Very low | 33.4 | Very low | 121 Ų | 121 | 146.3 Ų | 146.3 | 65% | 0.647 | 80% | 0.796 | S | S | * | * | trans | 62.6 | 154.2 | 142.8 | -76 | -30.2 | 0 | 0 | 0 | 120.6 | ||||
| 7 | R | 33.5 | Very low | 33.6 | Very low | 223 Ų | 223 | 146.6 Ų | 146.6 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | cis | -150.6 | 148 | 4 | -132.5 | 163.2 | -160 | 172.3 | 2.2 | 110.5 | ||||
| 8 | S | 34.7 | Very low | 33.7 | Very low | 101 Ų | 101 | 144.1 Ų | 144.1 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 151.8 | 169.1 | 49.2 | 0 | 0 | 0 | 0 | 111.9 | ||
| 9 | P | 36.8 | Very low | 34.2 | Very low | 126 Ų | 126 | 146.6 Ų | 146.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 147.1 | 158.9 | 34.4 | -30.2 | 0 | 0 | 0 | 110.6 | ||
| 10 | L | 33.9 | Very low | 34.4 | Very low | 156 Ų | 156 | 144.8 Ų | 144.8 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 151.1 | 172.8 | -63.2 | 94 | 0 | 0 | 0 | 111 | ||
| 11 | L | 33.3 | Very low | 34.6 | Very low | 173 Ų | 173 | 141.7 Ų | 141.7 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | trans | -130.6 | 127 | 155.3 | -156 | 75 | 0 | 0 | 0 | 108.1 | T13 | L11-T13 PolarHBondContact O-N 3.13Š| ||
| 12 | L | 32.9 | Very low | 35.1 | Very low | 150 Ų | 150 | 135.6 Ų | 135.6 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | -74.7 | 125.6 | -176.1 | -84.9 | 74.8 | 0 | 0 | 0 | 110.9 | V14 | L12-V14 PolarHBondContact O-N 2.71Š| ||
| 13 | T | 33.5 | Very low | 35.6 | Very low | 130 Ų | 130 | 134.9 Ų | 134.9 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | trans | -77.7 | 96.7 | 166.3 | 50.2 | 0 | 0 | 0 | 0 | 110.2 | L11 T15 | L11-T13 PolarHBondContact O-N 3.13Å; T13-T15 PolarHBondContact O-N 3.24Å | ||
| 14 | V | 35.1 | Very low | 35.9 | Very low | 130 Ų | 130 | 135.3 Ų | 135.3 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | trans | -84.8 | 102.7 | 168.1 | -179.9 | 0 | 0 | 0 | 0 | 108.6 | L12 C16 | L12-V14 PolarHBondContact O-N 2.71Å; V14-C16 PolarHBondContact O-N 2.94Å; V14-C16 VanDerWaalsContact O-N 3.16Å | ||
| 15 | T | 34.8 | Very low | 35.8 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | trans | -76.7 | 97 | 179.7 | 49.5 | 0 | 0 | 0 | 0 | 111.5 | T13 M17 | T13-T15 PolarHBondContact O-N 3.24Å; T15-M17 PolarHBondContact O-N 2.76Å | ||
| 16 | C | 30.7 | Very low | 35.5 | Very low | 106 Ų | 106 | 137 Ų | 137 | 72% | 0.716 | 78% | 0.776 | S | S | * | * | trans | -86.6 | 102 | 167.3 | -162.5 | 0 | 0 | 0 | 0 | 109.9 | V14 C18 | V14-C16 PolarHBondContact O-N 2.94Å; V14-C16 VanDerWaalsContact O-N 3.16Å; C16-C18 VanDerWaalsContact C-N 3.28Å; C16-C18 PolarHBondContact O-N 3.4Å | ||
| 17 | M | 37.5 | Very low | 35.8 | Very low | 152 Ų | 152 | 140.8 Ų | 140.8 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | trans | -78.9 | 70.2 | 179.4 | -75.8 | -91.9 | -97.1 | 0 | 0 | 111.5 | T15 F19 | T15-M17 PolarHBondContact O-N 2.76Å; M17-F19 HydrophobicContact CE-CE2 4.26Å; M17-F19 PolarHBondContact O-N 3.41Å; M17-F19 VanDerWaalsContact O-N 3.12Å; M17-F19 HydrophobicContact SD-CE2 4.48Å | ||
| 18 | C | 34.7 | Very low | 35.8 | Very low | 102 Ų | 102 | 137.6 Ų | 137.6 | 69% | 0.689 | 78% | 0.777 | S | S | * | * | trans | -78.4 | 88.6 | 169.5 | -72.4 | 0 | 0 | 0 | 0 | 110.7 | C16 S20 | C16-C18 VanDerWaalsContact C-N 3.28Å; C16-C18 PolarHBondContact O-N 3.4Å; C18-S20 PolarHBondContact O-N 2.88Å; C18-S20 VanDerWaalsContact O-N 3.16Å | ||
| 19 | F | 44.3 | Very low | 36.1 | Very low | 192 Ų | 192 | 139.8 Ų | 139.8 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | trans | -69.3 | 102.3 | 162.1 | -92.6 | -96.8 | 0 | 0 | 0 | 109.8 | M17 | M17-F19 HydrophobicContact CE-CE2 4.26Å; M17-F19 PolarHBondContact O-N 3.41Å; M17-F19 VanDerWaalsContact O-N 3.12Å; M17-F19 HydrophobicContact SD-CE2 4.48Å | ||
| 20 | S | 38.3 | Very low | 36.2 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -128.8 | 131.2 | 158.1 | 49.2 | 0 | 0 | 0 | 0 | 108.9 | C18 | C18-S20 PolarHBondContact O-N 2.88Å; C18-S20 VanDerWaalsContact O-N 3.16Å | ||
| 21 | G | 38.8 | Very low | 36.5 | Very low | 79 Ų | 79 | 141.4 Ų | 141.4 | 81% | 0.814 | 77% | 0.773 | S | S | * | * | trans | -68.6 | 137.3 | -165.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L23 | G21-L23 PolarHBondContact O-N 3.05Å; G21-L23 VanDerWaalsContact O-N 3.17Å | ||
| 22 | A | 40.8 | Very low | 37 | Very low | 100 Ų | 100 | 137.2 Ų | 137.2 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | trans | -71.5 | 106.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 23 | L | 38.7 | Very low | 37.4 | Very low | 137 Ų | 137 | 135.4 Ų | 135.4 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | trans | -125 | 73.3 | 154.6 | -81 | 177.2 | 0 | 0 | 0 | 108.8 | G21 W25 | G21-L23 PolarHBondContact O-N 3.05Å; G21-L23 VanDerWaalsContact O-N 3.17Å; L23-W25 PolarHBondContact O-N 3.21Å | ||
| 24 | L | 36 | Very low | 38.1 | Very low | 165 Ų | 165 | 138 Ų | 138 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | trans | -71.4 | 80.7 | 164.3 | -173.3 | 74.8 | 0 | 0 | 0 | 108 | S26 | L24-S26 VanDerWaalsContact C-N 3.25Å; L24-S26 PolarHBondContact O-N 2.75Å | ||
| 25 | W | 31.5 | Very low | 38.8 | Very low | 205 Ų | 205 | 134.9 Ų | 134.9 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | trans | -68.7 | 87.6 | 169.9 | -81.1 | -6.7 | 0 | 0 | 0 | 109.4 | L23 Y27 | L23-W25 PolarHBondContact O-N 3.21Å; W25-Y27 PolarHBondContact O-N 3.46Å; W25-Y27 VanDerWaalsContact O-N 3.07Å | ||
| 26 | S | 33.4 | Very low | 40.1 | Very low | 97 Ų | 97 | 132.5 Ų | 132.5 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | trans | -57.3 | 108.6 | 157.1 | 50.6 | 0 | 0 | 0 | 0 | 108 | L24 Q28 | L24-S26 VanDerWaalsContact C-N 3.25Å; L24-S26 PolarHBondContact O-N 2.75Å; S26-Q28 PolarHBondContact O-N 3.39Å | ||
| 27 | Y | 39 | Very low | 41.7 | Very low | 201 Ų | 201 | 137.2 Ų | 137.2 | 79% | 0.788 | 75% | 0.75 | S | S | * | * | trans | -69.6 | 82.2 | 169 | -169.2 | -96.5 | 0 | 0 | 0 | 107.9 | W25 E29 | W25-Y27 PolarHBondContact O-N 3.46Å; W25-Y27 VanDerWaalsContact O-N 3.07Å; Y27-E29 VanDerWaalsContact C-N 3.32Å; Y27-E29 HydrophobicContact CD1-CB 4.19Å; Y27-E29 HydrophobicContact CE1-CB 4.01Å; Y27-E29 HydrophobicContact CE1-CG 4.23Å; Y27-E29 PolarHBondContact O-N 2.84Å | ||
| 28 | Q | 33 | Very low | 43.4 | Very low | 157 Ų | 157 | 132.4 Ų | 132.4 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | trans | -72.7 | 97.1 | 167.7 | -175.6 | 167.2 | -15.3 | 0 | 0 | 106.4 | S26 E30 | S26-Q28 PolarHBondContact O-N 3.39Å; Q28-E30 VanDerWaalsContact C-N 3.3Å; Q28-E30 PolarHBondContact O-N 2.9Å | ||
| 29 | E | 40.3 | Very low | 45.4 | Very low | 147 Ų | 147 | 130.7 Ų | 130.7 | 69% | 0.687 | 72% | 0.72 | S | S | * | * | trans | -63.8 | 95.4 | 168.4 | -167.3 | 160.1 | -150.2 | 0 | 0 | 106.7 | Y27 D31 | Y27-E29 VanDerWaalsContact C-N 3.32Å; Y27-E29 HydrophobicContact CD1-CB 4.19Å; Y27-E29 HydrophobicContact CE1-CB 4.01Å; Y27-E29 HydrophobicContact CE1-CG 4.23Å; Y27-E29 PolarHBondContact O-N 2.84Å; E29-D31 PolarHBondContact O-N 3.44Å | ||
| 30 | E | 39.6 | Very low | 46.8 | Very low | 167 Ų | 167 | 130.4 Ų | 130.4 | 78% | 0.78 | 72% | 0.721 | S | S | * | * | trans | -63.4 | 110.4 | 172.3 | -72.9 | -167.8 | 126.7 | 0 | 0 | 107.7 | Q28 A32 | Q28-E30 VanDerWaalsContact C-N 3.3Å; Q28-E30 PolarHBondContact O-N 2.9Å; E30-A32 VanDerWaalsContact C-N 3.27Å; E30-A32 PolarHBondContact O-N 2.96Å | ||
| 31 | D | 39.8 | Very low | 48.6 | Very low | 148 Ų | 148 | 130.5 Ų | 130.5 | 79% | 0.791 | 71% | 0.713 | S | S | * | * | trans | -57.8 | 90.3 | 174 | -92.6 | -52.1 | 0 | 0 | 0 | 109.8 | E29 S33 | E29-D31 PolarHBondContact O-N 3.44Å; D31-S33 PolarHBondContact O-N 3.41Å; D31-S33 PolarHBondContact O-OG 3.48Å; D31-S33 VanDerWaalsContact O-OG 3.13Å | ||
| 32 | A | 44.2 | Very low | 50.7 | Low | 85 Ų | 85 | 129.4 Ų | 129.4 | 70% | 0.702 | 69% | 0.688 | S | S | * | * | trans | -69.1 | 70.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | E30 E34 | E30-A32 VanDerWaalsContact C-N 3.27Å; E30-A32 PolarHBondContact O-N 2.96Å; A32-E34 PolarHBondContact O-N 2.03Å | ||
| 33 | S | 41.5 | Very low | 52.7 | Low | 113 Ų | 113 | 125.4 Ų | 125.4 | 79% | 0.79 | 65% | 0.653 | S | S | * | * | trans | -77.1 | -1.4 | 176.8 | 45.9 | 0 | 0 | 0 | 0 | 112.7 | D31 G35 | D31-S33 PolarHBondContact O-N 3.41Å; D31-S33 PolarHBondContact O-OG 3.48Å; D31-S33 VanDerWaalsContact O-OG 3.13Å; S33-G35 PolarHBondContact O-N 2.83Å | ||
| 34 | E | 47.2 | Very low | 54.9 | Low | 183 Ų | 183 | 119.3 Ų | 119.3 | 86% | 0.855 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -63.6 | 88.7 | 147.8 | -70.8 | -157.9 | 133.3 | 0 | 0 | 109 | A32 E36 | A32-E34 PolarHBondContact O-N 2.03Å; E34-E36 PolarHBondContact O-N 2.99Å |
| 35 | G | 51.6 | Low | 57.2 | Low | 65 Ų | 65 | 114.8 Ų | 114.8 | 67% | 0.67 | 60% | 0.601 | S | S | * | * | trans | -47.6 | 125.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S33 K37 | S33-G35 PolarHBondContact O-N 2.83Å; G35-K37 PolarHBondContact O-N 3.21Å | ||
| 36 | E | 60.2 | Low | 59.8 | Low | 71 Ų | 71 | 107.6 Ų | 107.6 | 33% | 0.332 | 58% | 0.58 | S | S | . | * | trans | -44.4 | 101.1 | -164.9 | -64.6 | -164.9 | 73.4 | 0 | 0 | 113.2 | E34 C38 S44 K64 K67 | E34-E36 PolarHBondContact O-N 2.99Å; E36-C38 PolarHBondContact O-N 3.35Å; E36-S44 PolarHBondContact OE1-OG 3.43Å; E36-K64 WeakPolarHBondContact OE1-CE 3.03Å; E36-K64 IonicContact OE1-NZ 3.5Å; E36-K64 PolarHBondContact OE1-NZ 3.43Å; E36-K64 IonicContact OE2-NZ 3.19Å; E36-K67 VanDerWaalsContact OE2-CE 3.24Å; E36-K67 WeakPolarHBondContact OE2-CE 3.26Å; E36-K67 IonicContact OE2-NZ 3.59Å | ||
| 37 | K | 65.1 | Low | 62.4 | Low | 205 Ų | 205 | 110.2 Ų | 110.2 | 89% | 0.891 | 58% | 0.579 | S | S | * | * | trans | -73.4 | 83.4 | -177.1 | -166.7 | 172.2 | -174.6 | 174.8 | 0 | 110.5 | G35 S39 | G35-K37 PolarHBondContact O-N 3.21Å; K37-S39 PolarHBondContact O-N 2.83Å | ||
| 38 | C | 73.1 | Confident | 64.6 | Low | 51 Ų | 51 | 105.8 Ų | 105.8 | 35% | 0.345 | 56% | 0.562 | S | S | . | * | trans | -56.5 | 128.4 | 178 | -162.5 | 0 | 0 | 0 | 0 | 110.3 | E36 N42 C66 | E36-C38 PolarHBondContact O-N 3.35Å; C38-N42 VanDerWaalsContact SG-CA 3.55Å; C38-C66 VanDerWaalsContact CA-SG 3.57Å; C38-C66 HydrophobicContact CB-CB 4.1Å; C38-C66 WeakPolarHBondContact CB-SG 3.24Å; C38-C66 WeakPolarHBondContact SG-CB 3.39Å; C38-C66 CovalentContact SG-SG 2.03Å; C38-C66 PolarHBondContact SG-SG 3.09Å | ||
| 39 | S | 76.7 | Confident | 67.4 | Low | 66 Ų | 66 | 103.2 Ų | 103.2 | 46% | 0.462 | 56% | 0.559 | S | S | . | * | B | Isolated β-bridge | trans | -71.4 | 155.2 | 171.1 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | K37 N41 N42 I43 | K37-S39 PolarHBondContact O-N 2.83Å; S39-N41 PolarHBondContact O-N 2.93Å; S39-N42 WeakPolarHBondContact O-CA 3.19Å; S39-N42 PolarHBondContact O-N 3.35Å; S39-I43 VanDerWaalsContact CB-O 3.23Å; S39-I43 WeakPolarHBondContact CB-O 2.94Å; S39-I43 PolarHBondContact N-O 3.35Å |
| 40 | E | 73.7 | Confident | 69.8 | Low | 187 Ų | 187 | 97.4 Ų | 97.4 | 87% | 0.874 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | -29.4 | -179.7 | -61.8 | 175.2 | 162.2 | 0 | 0 | 113.7 | N42 | E40-N42 PolarHBondContact O-N 2.97Š|
| 41 | N | 75.8 | Confident | 72.3 | Confident | 111 Ų | 111 | 93.7 Ų | 93.7 | 59% | 0.594 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | 17.2 | 176.1 | -64.5 | 0.7 | 0 | 0 | 0 | 114 | S39 I43 | S39-N41 PolarHBondContact O-N 2.93Å; N41-I43 VanDerWaalsContact C-N 3.29Å; N41-I43 HydrophobicContact CB-CD1 4.22Å; N41-I43 PolarHBondContact O-N 2.82Å |
| 42 | N | 82.8 | Confident | 74.5 | Confident | 56 Ų | 56 | 91.3 Ų | 91.3 | 30% | 0.299 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 32.9 | -174.4 | -58.7 | -53.7 | 0 | 0 | 0 | 115.1 | C38 S39 E40 C65 C66 F69 C76 | C38-N42 VanDerWaalsContact SG-CA 3.55Å; S39-N42 WeakPolarHBondContact O-CA 3.19Å; S39-N42 PolarHBondContact O-N 3.35Å; E40-N42 PolarHBondContact O-N 2.97Å; N42-C65 WeakPolarHBondContact O-CA 3.28Å; N42-C66 VanDerWaalsContact C-SG 3.5Å; N42-C66 PolarHBondContact O-N 3.07Å; N42-C66 PolarHBondContact O-SG 3.06Å; N42-C66 VanDerWaalsContact O-SG 3.41Å; N42-F69 HydrophobicContact CB-CD1 3.72Å; N42-F69 HydrophobicContact CB-CD2 4.17Å; N42-F69 HydrophobicContact CB-CE1 3.75Å; N42-F69 HydrophobicContact CB-CE2 4.19Å; N42-F69 HydrophobicContact CB-CG 3.95Å; N42-F69 HydrophobicContact CB-CZ 3.99Å; N42-F69 WeakPolarHBondContact ND2-CE1 3.47Å; N42-F69 WeakPolarHBondContact OD1-CZ 3.11Å; N42-C76 HydrophobicContact CB-CB 3.88Å; N42-C76 PolarHBondContact O-SG 2.94Å |
| 43 | I | 84.3 | Confident | 76.6 | Confident | 17 Ų | 17 | 93.6 Ų | 93.6 | 9% | 0.087 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 124.9 | -177.5 | -67.7 | 166.2 | 0 | 0 | 0 | 111 | S39 N41 R63 K64 C76 | S39-I43 VanDerWaalsContact CB-O 3.23Å; S39-I43 WeakPolarHBondContact CB-O 2.94Å; S39-I43 PolarHBondContact N-O 3.35Å; N41-I43 VanDerWaalsContact C-N 3.29Å; N41-I43 HydrophobicContact CB-CD1 4.22Å; N41-I43 PolarHBondContact O-N 2.82Å; I43-R63 HydrophobicContact CG2-CB 4.05Å; I43-R63 HydrophobicContact CG2-CG 4.39Å; I43-K64 CarbonylContact C-O 3.29Å; I43-K64 WeakPolarHBondContact CA-O 3.4Å; I43-C76 WeakPolarHBondContact CG1-SG 3.05Å |
| 44 | S | 84.9 | Confident | 78.8 | Confident | 9 Ų | 9 | 92.7 Ų | 92.7 | 6% | 0.063 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 141.2 | 166.9 | 171.4 | 0 | 0 | 0 | 0 | 109 | E36 K64 C66 | E36-S44 PolarHBondContact OE1-OG 3.43Å; S44-K64 PolarHBondContact N-O 3.32Å; S44-K64 PolarHBondContact O-N 3.39Å; S44-K64 VanDerWaalsContact OG-CE 3.28Å; S44-K64 WeakPolarHBondContact OG-CE 3.1Å; S44-C66 PolarHBondContact N-SG 2.8Å |
| 45 | T | 84.1 | Confident | 80.6 | Confident | 69 Ų | 69 | 86.6 Ų | 86.6 | 42% | 0.423 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 103.3 | 179.4 | -56.1 | 0 | 0 | 0 | 0 | 109.8 | Y61 R62 R63 | T45-Y61 HydrophobicContact CG2-CD1 4.11Å; T45-R62 CarbonylContact C-O 3.58Å; T45-R62 WeakPolarHBondContact CA-O 3.34Å; T45-R63 HydrophobicContact CG2-CG 4.25Å |
| 46 | T | 85.6 | Confident | 82.5 | Confident | 54 Ų | 54 | 88.2 Ų | 88.2 | 33% | 0.331 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 133.3 | 178.1 | 54.6 | 0 | 0 | 0 | 0 | 110.5 | R62 | T46-R62 PolarHBondContact N-O 2.89Å; T46-R62 PolarHBondContact O-N 2.9Å; T46-R62 PolarHBondContact OG1-O 3.34Å |
| 47 | K | 88.3 | Confident | 83.9 | Confident | 153 Ų | 153 | 89.5 Ų | 89.5 | 67% | 0.665 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 143.9 | 171 | -56.5 | 178.2 | -169.6 | 169.1 | 0 | 108.6 | C60 Y61 | K47-C60 WeakPolarHBondContact CA-O 3.42Å; K47-Y61 HydrophobicContact CD-CE1 4.22Å; K47-Y61 HydrophobicContact CG-CD1 4.03Å; K47-Y61 HydrophobicContact CG-CE1 3.85Å |
| 48 | Y | 85.9 | Confident | 85.2 | Confident | 107 Ų | 107 | 82 Ų | 82 | 42% | 0.42 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 149.3 | 174.9 | 67.4 | -78.4 | 0 | 0 | 0 | 111.2 | C50 C60 R62 | Y48-C50 HydrophobicContact CD2-CB 4.47Å; Y48-C50 HydrophobicContact CE2-CB 4.08Å; Y48-C60 HydrophobicContact CD1-CB 3.97Å; Y48-C60 HydrophobicContact CD2-CB 4.22Å; Y48-C60 HydrophobicContact CE1-CB 3.43Å; Y48-C60 VanDerWaalsContact CE1-CB 3.43Å; Y48-C60 HydrophobicContact CE2-CB 3.73Å; Y48-C60 HydrophobicContact CG-CB 4.34Å; Y48-C60 PolarHBondContact N-O 3.39Å; Y48-C60 PolarHBondContact O-N 3.49Å; Y48-R62 HydrophobicContact CD1-CB 4.12Å; Y48-R62 HydrophobicContact CE1-CB 3.76Å |
| 49 | P | 90.8 | Very high | 86.1 | Confident | 104 Ų | 104 | 83.8 Ų | 83.8 | 68% | 0.675 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 136.4 | 174.4 | 28.7 | -33.9 | 0 | 0 | 0 | 110.7 | V57 T58 | P49-V57 HydrophobicContact CB-CG1 4.02Å; P49-T58 CarbonylContact C-O 3.53Å; P49-T58 WeakPolarHBondContact CA-O 3.23Å |
| 50 | C | 90.1 | Very high | 86.6 | Confident | 24 Ų | 24 | 82.5 Ų | 82.5 | 16% | 0.162 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 146.9 | 176.9 | 65 | 0 | 0 | 0 | 0 | 110.5 | Y48 T58 C60 | Y48-C50 HydrophobicContact CD2-CB 4.47Å; Y48-C50 HydrophobicContact CE2-CB 4.08Å; C50-T58 PolarHBondContact N-O 2.67Å; C50-T58 PolarHBondContact O-N 3.06Å; C50-T58 PolarHBondContact O-OG1 3.34Å; C50-C60 HydrophobicContact CB-CB 3.67Å; C50-C60 WeakPolarHBondContact CB-SG 3.48Å; C50-C60 WeakPolarHBondContact SG-CB 3.3Å; C50-C60 PolarHBondContact SG-N 2.77Å; C50-C60 VanDerWaalsContact SG-N 3.37Å; C50-C60 CovalentContact SG-SG 2.03Å; C50-C60 PolarHBondContact SG-SG 2.04Å |
| 51 | V | 93.1 | Very high | 87.3 | Confident | 89 Ų | 89 | 80.4 Ų | 80.4 | 54% | 0.539 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 128.9 | -176.4 | -165.7 | 0 | 0 | 0 | 0 | 109.6 | G55 E56 V57 | V51-G55 WeakPolarHBondContact CG1-O 3.05Å; V51-E56 WeakPolarHBondContact CA-O 3.32Å; V51-V57 HydrophobicContact CG2-CG2 4.45Å |
| 52 | K | 86.4 | Confident | 87.7 | Confident | 98 Ų | 98 | 83.3 Ų | 83.3 | 43% | 0.426 | 45% | 0.454 | S | S | . | . | trans | -69.9 | 165.3 | 170.6 | -75.7 | 167.9 | 169.9 | 164.2 | 0 | 111 | T54 G55 E56 T58 | K52-T54 WeakPolarHBondContact CB-OG1 3.41Å; K52-T54 PolarHBondContact O-N 3.06Å; K52-G55 PolarHBondContact O-N 3.45Å; K52-E56 HydrophobicContact CB-CB 4.41Å; K52-E56 HydrophobicContact CD-CB 3.95Å; K52-E56 VanDerWaalsContact CD-OE2 3.27Å; K52-E56 WeakPolarHBondContact CD-OE2 3.41Å; K52-E56 PolarHBondContact N-O 2.95Å; K52-E56 IonicContact NZ-OE2 2.75Å; K52-E56 PolarHBondContact NZ-OE2 2.85Å; K52-T58 HydrophobicContact CD-CG2 3.97Å; K52-T58 HydrophobicContact CG-CG2 4.4Å | ||
| 53 | S | 87.8 | Confident | 87.9 | Confident | 134 Ų | 134 | 88.8 Ų | 88.8 | 94% | 0.937 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -17.4 | 167.9 | 49.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 54 | T | 86.8 | Confident | 88 | Confident | 94 Ų | 94 | 92 Ų | 92 | 58% | 0.577 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -3.1 | 174 | 54.8 | 0 | 0 | 0 | 0 | 114.4 | K52 E56 | K52-T54 WeakPolarHBondContact CB-OG1 3.41Å; K52-T54 PolarHBondContact O-N 3.06Å; T54-E56 VanDerWaalsContact C-N 3.27Å; T54-E56 PolarHBondContact O-N 2.87Å |
| 55 | G | 86.3 | Confident | 88.2 | Confident | 54 Ų | 54 | 92.5 Ų | 92.5 | 56% | 0.557 | 49% | 0.487 | S | S | * | . | S | Bend | trans | 82.9 | -5.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | V51 K52 | V51-G55 WeakPolarHBondContact CG1-O 3.05Å; K52-G55 PolarHBondContact O-N 3.45Å |
| 56 | E | 90.9 | Very high | 88.3 | Confident | 99 Ų | 99 | 89.9 Ų | 89.9 | 46% | 0.463 | 47% | 0.471 | S | S | . | . | trans | -68.2 | 130.1 | 174.4 | -71.9 | 169.8 | -159.6 | 0 | 0 | 111.9 | V51 K52 T54 | V51-E56 WeakPolarHBondContact CA-O 3.32Å; K52-E56 HydrophobicContact CB-CB 4.41Å; K52-E56 HydrophobicContact CD-CB 3.95Å; K52-E56 VanDerWaalsContact CD-OE2 3.27Å; K52-E56 WeakPolarHBondContact CD-OE2 3.41Å; K52-E56 PolarHBondContact N-O 2.95Å; K52-E56 IonicContact NZ-OE2 2.75Å; K52-E56 PolarHBondContact NZ-OE2 2.85Å; T54-E56 VanDerWaalsContact C-N 3.27Å; T54-E56 PolarHBondContact O-N 2.87Å | ||
| 57 | V | 90 | Very high | 88.3 | Confident | 99 Ų | 99 | 95.8 Ų | 95.8 | 60% | 0.6 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 129.9 | 168.1 | -175.4 | 0 | 0 | 0 | 0 | 109.5 | P49 V51 | P49-V57 HydrophobicContact CB-CG1 4.02Å; V51-V57 HydrophobicContact CG2-CG2 4.45Å |
| 58 | T | 91.9 | Very high | 88 | Confident | 47 Ų | 47 | 90 Ų | 90 | 29% | 0.288 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 170.8 | 178.1 | 54.9 | 0 | 0 | 0 | 0 | 111.4 | P49 C50 K52 | P49-T58 CarbonylContact C-O 3.53Å; P49-T58 WeakPolarHBondContact CA-O 3.23Å; C50-T58 PolarHBondContact N-O 2.67Å; C50-T58 PolarHBondContact O-N 3.06Å; C50-T58 PolarHBondContact O-OG1 3.34Å; K52-T58 HydrophobicContact CD-CG2 3.97Å; K52-T58 HydrophobicContact CG-CG2 4.4Å |
| 59 | T | 92.2 | Very high | 88 | Confident | 89 Ų | 89 | 87.4 Ų | 87.4 | 55% | 0.546 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 111.4 | 180 | 43.3 | 0 | 0 | 0 | 0 | 111.7 | Y61 | T59-Y61 WeakPolarHBondContact O-CE2 3.23Å |
| 60 | C | 87.9 | Confident | 87.7 | Confident | 39 Ų | 39 | 85.2 Ų | 85.2 | 26% | 0.264 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 161.9 | 167.4 | -78.3 | 0 | 0 | 0 | 0 | 111.2 | K47 Y48 C50 | K47-C60 WeakPolarHBondContact CA-O 3.42Å; Y48-C60 HydrophobicContact CD1-CB 3.97Å; Y48-C60 HydrophobicContact CD2-CB 4.22Å; Y48-C60 HydrophobicContact CE1-CB 3.43Å; Y48-C60 VanDerWaalsContact CE1-CB 3.43Å; Y48-C60 HydrophobicContact CE2-CB 3.73Å; Y48-C60 HydrophobicContact CG-CB 4.34Å; Y48-C60 PolarHBondContact N-O 3.39Å; Y48-C60 PolarHBondContact O-N 3.49Å; C50-C60 HydrophobicContact CB-CB 3.67Å; C50-C60 WeakPolarHBondContact CB-SG 3.48Å; C50-C60 WeakPolarHBondContact SG-CB 3.3Å; C50-C60 PolarHBondContact SG-N 2.77Å; C50-C60 VanDerWaalsContact SG-N 3.37Å; C50-C60 CovalentContact SG-SG 2.03Å; C50-C60 PolarHBondContact SG-SG 2.04Å |
| 61 | Y | 87.2 | Confident | 87.4 | Confident | 142 Ų | 142 | 90.7 Ų | 90.7 | 56% | 0.557 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 123.1 | -178 | -62.1 | -97.2 | 0 | 0 | 0 | 109.4 | T45 K47 T59 | T45-Y61 HydrophobicContact CG2-CD1 4.11Å; K47-Y61 HydrophobicContact CD-CE1 4.22Å; K47-Y61 HydrophobicContact CG-CD1 4.03Å; K47-Y61 HydrophobicContact CG-CE1 3.85Å; T59-Y61 WeakPolarHBondContact O-CE2 3.23Å |
| 62 | R | 85.4 | Confident | 86.8 | Confident | 173 Ų | 173 | 87 Ų | 87 | 65% | 0.653 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110 | 122.4 | 174.3 | -177.3 | 174.1 | -177.7 | 177.1 | 0.4 | 109.2 | T45 T46 Y48 | T45-R62 CarbonylContact C-O 3.58Å; T45-R62 WeakPolarHBondContact CA-O 3.34Å; T46-R62 PolarHBondContact N-O 2.89Å; T46-R62 PolarHBondContact O-N 2.9Å; T46-R62 PolarHBondContact OG1-O 3.34Å; Y48-R62 HydrophobicContact CD1-CB 4.12Å; Y48-R62 HydrophobicContact CE1-CB 3.76Å |
| 63 | R | 86.6 | Confident | 86 | Confident | 171 Ų | 171 | 90.4 Ų | 90.4 | 65% | 0.645 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 137.8 | 173.2 | -60.4 | 175.6 | 77.5 | -168.3 | 4.2 | 109.1 | I43 T45 | I43-R63 HydrophobicContact CG2-CB 4.05Å; I43-R63 HydrophobicContact CG2-CG 4.39Å; T45-R63 HydrophobicContact CG2-CG 4.25Å |
| 64 | K | 86.2 | Confident | 85.5 | Confident | 85 Ų | 85 | 86.4 Ų | 86.4 | 37% | 0.37 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 155.9 | 171.6 | 61.4 | 174.8 | -173.4 | 170.4 | 0 | 108.8 | E36 I43 S44 | E36-K64 WeakPolarHBondContact OE1-CE 3.03Å; E36-K64 IonicContact OE1-NZ 3.5Å; E36-K64 PolarHBondContact OE1-NZ 3.43Å; E36-K64 IonicContact OE2-NZ 3.19Å; I43-K64 CarbonylContact C-O 3.29Å; I43-K64 WeakPolarHBondContact CA-O 3.4Å; S44-K64 PolarHBondContact N-O 3.32Å; S44-K64 PolarHBondContact O-N 3.39Å; S44-K64 VanDerWaalsContact OG-CE 3.28Å; S44-K64 WeakPolarHBondContact OG-CE 3.1Å |
| 65 | C | 88 | Confident | 85.3 | Confident | 19 Ų | 19 | 88.6 Ų | 88.6 | 13% | 0.128 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 155.2 | 166.2 | -62.9 | 0 | 0 | 0 | 0 | 110.2 | N42 F69 F71 C76 | N42-C65 WeakPolarHBondContact O-CA 3.28Å; C65-F69 HydrophobicContact CB-CB 3.84Å; C65-F69 WeakPolarHBondContact CB-O 3.45Å; C65-F71 WeakPolarHBondContact SG-CA 3.48Å; C65-F71 VanDerWaalsContact SG-CB 3.56Å; C65-C76 WeakPolarHBondContact CA-SG 3.42Å; C65-C76 HydrophobicContact CB-CB 3.81Å; C65-C76 WeakPolarHBondContact CB-SG 3.46Å; C65-C76 VanDerWaalsContact SG-CA 3.54Å; C65-C76 WeakPolarHBondContact SG-CB 3.37Å; C65-C76 CovalentContact SG-SG 2.04Å; C65-C76 PolarHBondContact SG-SG 3.07Å |
| 66 | C | 87.8 | Confident | 85.3 | Confident | 14 Ų | 14 | 86.7 Ų | 86.7 | 10% | 0.095 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 163.6 | 174.4 | -58.3 | 0 | 0 | 0 | 0 | 111.1 | C38 N42 S44 G68 F69 | C38-C66 VanDerWaalsContact CA-SG 3.57Å; C38-C66 HydrophobicContact CB-CB 4.1Å; C38-C66 WeakPolarHBondContact CB-SG 3.24Å; C38-C66 WeakPolarHBondContact SG-CB 3.39Å; C38-C66 CovalentContact SG-SG 2.03Å; C38-C66 PolarHBondContact SG-SG 3.09Å; N42-C66 VanDerWaalsContact C-SG 3.5Å; N42-C66 PolarHBondContact O-N 3.07Å; N42-C66 PolarHBondContact O-SG 3.06Å; N42-C66 VanDerWaalsContact O-SG 3.41Å; S44-C66 PolarHBondContact N-SG 2.8Å; C66-G68 PolarHBondContact O-N 3.26Å; C66-F69 HydrophobicContact CB-CD2 4.36Å; C66-F69 WeakPolarHBondContact O-CB 3.42Å; C66-F69 PolarHBondContact O-N 2.88Å |
| 67 | K | 84.3 | Confident | 84.9 | Confident | 178 Ų | 178 | 83.5 Ų | 83.5 | 77% | 0.774 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 133.3 | 177.9 | -66.1 | 171.8 | 179.7 | 166.6 | 0 | 109.9 | E36 | E36-K67 VanDerWaalsContact OE2-CE 3.24Å; E36-K67 WeakPolarHBondContact OE2-CE 3.26Å; E36-K67 IonicContact OE2-NZ 3.59Å |
| 68 | G | 82.7 | Confident | 84.7 | Confident | 32 Ų | 32 | 80.6 Ų | 80.6 | 33% | 0.33 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | 5.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | C66 P78 E79 | C66-G68 PolarHBondContact O-N 3.26Å; G68-P78 CarbonylContact O-C 3.54Å; G68-P78 VanDerWaalsContact O-CA 3.32Å; G68-P78 WeakPolarHBondContact O-CA 3.06Å; G68-E79 WeakPolarHBondContact CA-OE2 3.43Å; G68-E79 PolarHBondContact N-OE2 2.98Å; G68-E79 PolarHBondContact O-N 3.06Å |
| 69 | F | 85.9 | Confident | 84.2 | Confident | 51 Ų | 51 | 84.4 Ų | 84.4 | 22% | 0.224 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 127.6 | 179.8 | -67 | -98.7 | 0 | 0 | 0 | 113.1 | N42 C65 C66 C76 I77 P78 | N42-F69 HydrophobicContact CB-CD1 3.72Å; N42-F69 HydrophobicContact CB-CD2 4.17Å; N42-F69 HydrophobicContact CB-CE1 3.75Å; N42-F69 HydrophobicContact CB-CE2 4.19Å; N42-F69 HydrophobicContact CB-CG 3.95Å; N42-F69 HydrophobicContact CB-CZ 3.99Å; N42-F69 WeakPolarHBondContact ND2-CE1 3.47Å; N42-F69 WeakPolarHBondContact OD1-CZ 3.11Å; C65-F69 HydrophobicContact CB-CB 3.84Å; C65-F69 WeakPolarHBondContact CB-O 3.45Å; C66-F69 HydrophobicContact CB-CD2 4.36Å; C66-F69 WeakPolarHBondContact O-CB 3.42Å; C66-F69 PolarHBondContact O-N 2.88Å; F69-C76 HydrophobicContact CB-CB 4.14Å; F69-C76 HydrophobicContact CD1-CB 4.41Å; F69-I77 CarbonylContact C-O 3.53Å; F69-I77 VanDerWaalsContact CA-O 3.26Å; F69-I77 WeakPolarHBondContact CA-O 3.4Å; F69-P78 HydrophobicContact CD1-CB 4.41Å; F69-P78 HydrophobicContact CD1-CG 4.11Å; F69-P78 HydrophobicContact CE1-CB 4.32Å; F69-P78 HydrophobicContact CE1-CG 3.72Å; F69-P78 HydrophobicContact CZ-CG 4.48Å |
| 70 | K | 84.3 | Confident | 83.6 | Confident | 58 Ų | 58 | 87 Ų | 87 | 25% | 0.252 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 137 | 172.2 | 55.5 | -179.3 | 177.1 | -172.2 | 0 | 111.4 | V72 I77 E79 D95 | K70-V72 HydrophobicContact CD-CG2 4.27Å; K70-V72 HydrophobicContact CG-CG2 4.01Å; K70-I77 HydrophobicContact CG-CB 4.48Å; K70-I77 WeakPolarHBondContact CG-O 3.34Å; K70-I77 PolarHBondContact N-O 3.23Å; K70-I77 PolarHBondContact O-N 2.86Å; K70-E79 HydrophobicContact CB-CG 4.24Å; K70-D95 IonicContact NZ-OD2 2.67Å; K70-D95 PolarHBondContact NZ-OD2 3.39Å |
| 71 | F | 83.6 | Confident | 83.3 | Confident | 140 Ų | 140 | 91.6 Ų | 91.6 | 61% | 0.614 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 122 | 173.8 | -176.6 | -102.5 | 0 | 0 | 0 | 110.6 | C65 | C65-F71 WeakPolarHBondContact SG-CA 3.48Å; C65-F71 VanDerWaalsContact SG-CB 3.56Å |
| 72 | V | 81.4 | Confident | 83 | Confident | 12 Ų | 12 | 89.5 Ų | 89.5 | 7% | 0.073 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 118.3 | -173.8 | 172 | 0 | 0 | 0 | 0 | 109.5 | K70 G74 Q75 I77 F97 | K70-V72 HydrophobicContact CD-CG2 4.27Å; K70-V72 HydrophobicContact CG-CG2 4.01Å; V72-G74 PolarHBondContact O-N 2.84Å; V72-Q75 PolarHBondContact N-O 3.47Å; V72-Q75 PolarHBondContact O-N 3.21Å; V72-I77 HydrophobicContact CB-CD1 3.77Å; V72-I77 HydrophobicContact CB-CG1 4.23Å; V72-I77 HydrophobicContact CG1-CD1 3.78Å; V72-I77 HydrophobicContact CG2-CD1 4.27Å; V72-F97 VanDerWaalsContact CG1-C 3.44Å; V72-F97 HydrophobicContact CG1-CB 4.5Å; V72-F97 WeakPolarHBondContact CG1-O 3.5Å |
| 73 | M | 69.8 | Low | 82.9 | Confident | 168 Ų | 168 | 82 Ų | 82 | 83% | 0.828 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47 | 34.8 | 170.9 | -59 | -62.4 | -89.5 | 0 | 0 | 115.2 | ||
| 74 | G | 76.8 | Confident | 82.9 | Confident | 51 Ų | 51 | 75.5 Ų | 75.5 | 53% | 0.526 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.5 | -8.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | V72 | V72-G74 PolarHBondContact O-N 2.84Š|
| 75 | Q | 81.7 | Confident | 82.8 | Confident | 139 Ų | 139 | 75.4 Ų | 75.4 | 65% | 0.65 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 162.5 | -179.5 | -66.6 | -177.5 | -18.7 | 0 | 0 | 111.9 | V72 | V72-Q75 PolarHBondContact N-O 3.47Å; V72-Q75 PolarHBondContact O-N 3.21Å |
| 76 | C | 86.5 | Confident | 82.2 | Confident | 15 Ų | 15 | 78.1 Ų | 78.1 | 10% | 0.101 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 109.2 | 172.2 | -69.3 | 0 | 0 | 0 | 0 | 108.7 | N42 I43 C65 F69 | N42-C76 HydrophobicContact CB-CB 3.88Å; N42-C76 PolarHBondContact O-SG 2.94Å; I43-C76 WeakPolarHBondContact CG1-SG 3.05Å; C65-C76 WeakPolarHBondContact CA-SG 3.42Å; C65-C76 HydrophobicContact CB-CB 3.81Å; C65-C76 WeakPolarHBondContact CB-SG 3.46Å; C65-C76 VanDerWaalsContact SG-CA 3.54Å; C65-C76 WeakPolarHBondContact SG-CB 3.37Å; C65-C76 CovalentContact SG-SG 2.04Å; C65-C76 PolarHBondContact SG-SG 3.07Å; F69-C76 HydrophobicContact CB-CB 4.14Å; F69-C76 HydrophobicContact CD1-CB 4.41Å |
| 77 | I | 83.4 | Confident | 81.9 | Confident | 31 Ų | 31 | 78.5 Ų | 78.5 | 16% | 0.159 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 141.9 | -178.8 | -57.9 | -179.1 | 0 | 0 | 0 | 107.8 | F69 K70 V72 Y81 | F69-I77 CarbonylContact C-O 3.53Å; F69-I77 VanDerWaalsContact CA-O 3.26Å; F69-I77 WeakPolarHBondContact CA-O 3.4Å; K70-I77 HydrophobicContact CG-CB 4.48Å; K70-I77 WeakPolarHBondContact CG-O 3.34Å; K70-I77 PolarHBondContact N-O 3.23Å; K70-I77 PolarHBondContact O-N 2.86Å; V72-I77 HydrophobicContact CB-CD1 3.77Å; V72-I77 HydrophobicContact CB-CG1 4.23Å; V72-I77 HydrophobicContact CG1-CD1 3.78Å; V72-I77 HydrophobicContact CG2-CD1 4.27Å; I77-Y81 HydrophobicContact CG2-CD1 3.84Å; I77-Y81 HydrophobicContact CG2-CG 4.01Å |
| 78 | P | 85.1 | Confident | 81.7 | Confident | 39 Ų | 39 | 74 Ų | 74 | 25% | 0.253 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 146.9 | 177.3 | -20.1 | 29.2 | 0 | 0 | 0 | 112.6 | G68 F69 D80 Y81 | G68-P78 CarbonylContact O-C 3.54Å; G68-P78 VanDerWaalsContact O-CA 3.32Å; G68-P78 WeakPolarHBondContact O-CA 3.06Å; F69-P78 HydrophobicContact CD1-CB 4.41Å; F69-P78 HydrophobicContact CD1-CG 4.11Å; F69-P78 HydrophobicContact CE1-CB 4.32Å; F69-P78 HydrophobicContact CE1-CG 3.72Å; F69-P78 HydrophobicContact CZ-CG 4.48Å; P78-D80 VanDerWaalsContact C-N 3.28Å; P78-D80 WeakPolarHBondContact CB-OD1 3.32Å; P78-D80 PolarHBondContact O-N 3.49Å; P78-Y81 WeakPolarHBondContact O-CB 3.38Å; P78-Y81 PolarHBondContact O-N 3.03Å |
| 79 | E | 80.6 | Confident | 81.8 | Confident | 127 Ų | 127 | 73.7 Ų | 73.7 | 59% | 0.593 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -28.7 | 179.2 | -73.5 | 174.3 | 149.9 | 0 | 0 | 112.1 | G68 K70 | G68-E79 WeakPolarHBondContact CA-OE2 3.43Å; G68-E79 PolarHBondContact N-OE2 2.98Å; G68-E79 PolarHBondContact O-N 3.06Å; K70-E79 HydrophobicContact CB-CG 4.24Å |
| 80 | D | 80.3 | Confident | 81.9 | Confident | 142 Ų | 142 | 74.5 Ų | 74.5 | 76% | 0.759 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 0.1 | 176.3 | 64.5 | -34.1 | 0 | 0 | 0 | 114.1 | P78 D82 | P78-D80 VanDerWaalsContact C-N 3.28Å; P78-D80 WeakPolarHBondContact CB-OD1 3.32Å; P78-D80 PolarHBondContact O-N 3.49Å; D80-D82 PolarHBondContact O-N 2.93Å |
| 81 | Y | 82.6 | Confident | 82.1 | Confident | 136 Ų | 136 | 73.6 Ų | 73.6 | 53% | 0.533 | 42% | 0.419 | S | S | . | . | trans | -72.3 | 101.6 | -179.5 | -174.6 | -96.1 | 0 | 0 | 0 | 111.7 | I77 P78 V83 | I77-Y81 HydrophobicContact CG2-CD1 3.84Å; I77-Y81 HydrophobicContact CG2-CG 4.01Å; P78-Y81 WeakPolarHBondContact O-CB 3.38Å; P78-Y81 PolarHBondContact O-N 3.03Å; Y81-V83 HydrophobicContact CD1-CG2 4.13Å; Y81-V83 HydrophobicContact CE1-CG2 4.42Å; Y81-V83 PolarHBondContact O-N 2.03Å; Y81-V83 VanDerWaalsContact O-N 3.09Å | ||
| 82 | D | 81 | Confident | 82.3 | Confident | 98 Ų | 98 | 71.1 Ų | 71.1 | 52% | 0.524 | 41% | 0.41 | S | S | . | . | trans | -70.9 | 101 | 172 | -177 | 8 | 0 | 0 | 0 | 111.2 | D80 C84 A85 | D80-D82 PolarHBondContact O-N 2.93Å; D82-C84 PolarHBondContact O-N 3.32Å; D82-C84 WeakPolarHBondContact OD1-CA 3.45Å; D82-C84 WeakPolarHBondContact OD1-CB 3.2Å; D82-C84 PolarHBondContact OD1-N 2.82Å; D82-A85 HydrophobicContact CB-CB 4.08Å; D82-A85 PolarHBondContact O-N 2.84Å; D82-A85 PolarHBondContact OD1-N 3.41Å; D82-A85 WeakPolarHBondContact OD2-CB 3.43Å; D82-A85 PolarHBondContact OD2-N 2.81Å | ||
| 83 | V | 83.3 | Confident | 82.7 | Confident | 16 Ų | 16 | 72.2 Ų | 72.2 | 10% | 0.097 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -25.3 | 175.7 | -161.2 | 0 | 0 | 0 | 0 | 111.8 | Y81 D95 V100 | Y81-V83 HydrophobicContact CD1-CG2 4.13Å; Y81-V83 HydrophobicContact CE1-CG2 4.42Å; Y81-V83 PolarHBondContact O-N 2.03Å; Y81-V83 VanDerWaalsContact O-N 3.09Å; V83-D95 HydrophobicContact CB-CB 4.43Å; V83-D95 HydrophobicContact CG2-CB 4.05Å; V83-V100 HydrophobicContact CG1-CG2 3.6Å; V83-V100 WeakPolarHBondContact O-CG2 3.47Å |
| 84 | C | 85.8 | Confident | 83.6 | Confident | 34 Ų | 34 | 67 Ų | 67 | 23% | 0.23 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -20.2 | -176.1 | -72.2 | 0 | 0 | 0 | 0 | 114.4 | D82 G86 A87 C93 | D82-C84 PolarHBondContact O-N 3.32Å; D82-C84 WeakPolarHBondContact OD1-CA 3.45Å; D82-C84 WeakPolarHBondContact OD1-CB 3.2Å; D82-C84 PolarHBondContact OD1-N 2.82Å; C84-G86 PolarHBondContact O-N 2.75Å; C84-A87 WeakPolarHBondContact O-CB 3Å; C84-A87 PolarHBondContact O-N 2.98Å; C84-C93 WeakPolarHBondContact CA-SG 3.47Å; C84-C93 HydrophobicContact CB-CB 3.77Å; C84-C93 WeakPolarHBondContact CB-SG 3.44Å; C84-C93 VanDerWaalsContact SG-C 3.53Å; C84-C93 WeakPolarHBondContact SG-CB 3.02Å; C84-C93 CovalentContact SG-SG 2.04Å; C84-C93 PolarHBondContact SG-SG 3.37Å |
| 85 | A | 83.3 | Confident | 84.1 | Confident | 84 Ų | 84 | 67.9 Ų | 67.9 | 69% | 0.694 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -28.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D82 | D82-A85 HydrophobicContact CB-CB 4.08Å; D82-A85 PolarHBondContact O-N 2.84Å; D82-A85 PolarHBondContact OD1-N 3.41Å; D82-A85 WeakPolarHBondContact OD2-CB 3.43Å; D82-A85 PolarHBondContact OD2-N 2.81Å |
| 86 | G | 76.8 | Confident | 84.1 | Confident | 76 Ų | 76 | 65.3 Ų | 65.3 | 78% | 0.784 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.8 | 11.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | C84 | C84-G86 PolarHBondContact O-N 2.75Š|
| 87 | A | 80.9 | Confident | 83.8 | Confident | 22 Ų | 22 | 71.6 Ų | 71.6 | 18% | 0.182 | 40% | 0.401 | C | S | . | . | trans | -75.9 | 135 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | C84 C89 V100 | C84-A87 WeakPolarHBondContact O-CB 3Å; C84-A87 PolarHBondContact O-N 2.98Å; A87-C89 PolarHBondContact O-N 2.04Å; A87-V100 HydrophobicContact CB-CG1 3.61Å; A87-V100 HydrophobicContact CB-CG2 4.02Å | ||
| 88 | P | 80.7 | Confident | 83.4 | Confident | 83 Ų | 83 | 71.3 Ų | 71.3 | 54% | 0.539 | 41% | 0.406 | S | S | . | . | trans | -77.8 | 22.9 | 179.3 | 34.3 | -37.4 | 0 | 0 | 0 | 113.9 | ||||
| 89 | C | 84.1 | Confident | 83.1 | Confident | 25 Ų | 25 | 77.8 Ų | 77.8 | 17% | 0.169 | 43% | 0.426 | C | S | . | . | trans | -67.1 | 158.4 | 178.6 | -53.2 | 0 | 0 | 0 | 0 | 111.6 | A87 C93 C102 | A87-C89 PolarHBondContact O-N 2.04Å; C89-C93 HydrophobicContact CB-CB 4.13Å; C89-C102 WeakPolarHBondContact CA-SG 3.02Å; C89-C102 HydrophobicContact CB-CB 3.71Å; C89-C102 WeakPolarHBondContact CB-SG 3.04Å; C89-C102 WeakPolarHBondContact SG-CA 3.31Å; C89-C102 WeakPolarHBondContact SG-CB 3.5Å; C89-C102 CovalentContact SG-SG 2.04Å; C89-C102 PolarHBondContact SG-SG 2.69Å | ||
| 90 | E | 87.4 | Confident | 83.3 | Confident | 69 Ų | 69 | 74.3 Ų | 74.3 | 32% | 0.322 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -105.3 | -43.1 | -178.8 | -178.5 | 165.9 | -122.7 | 0 | 0 | 113.9 | P121 Y122 C123 | E90-P121 VanDerWaalsContact OE1-CA 3.25Å; E90-P121 WeakPolarHBondContact OE1-CA 3.5Å; E90-P121 WeakPolarHBondContact OE1-CB 3.3Å; E90-P121 WeakPolarHBondContact OE2-CA 3Å; E90-P121 WeakPolarHBondContact OE2-CB 3.09Å; E90-Y122 HydrophobicContact CB-CD2 4.34Å; E90-Y122 PolarHBondContact OE2-N 3.33Å; E90-C123 PolarHBondContact OE2-N 2.84Å |
| 91 | Q | 88.6 | Confident | 83.6 | Confident | 38 Ų | 38 | 69.6 Ų | 69.6 | 18% | 0.178 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -114.3 | -61.6 | -176.3 | -72.2 | -175.9 | -19.4 | 0 | 0 | 111.8 | C104 Y105 Y108 C123 | Q91-C104 VanDerWaalsContact OE1-CB 3.31Å; Q91-Y105 HydrophobicContact CB-CD1 4.47Å; Q91-Y105 HydrophobicContact CB-CD2 3.82Å; Q91-Y105 HydrophobicContact CB-CE1 4.34Å; Q91-Y105 HydrophobicContact CB-CE2 3.69Å; Q91-Y105 HydrophobicContact CB-CG 4.21Å; Q91-Y105 HydrophobicContact CG-CD2 3.81Å; Q91-Y105 HydrophobicContact CG-CE2 3.83Å; Q91-Y105 PolarHBondContact O-OH 2.89Å; Q91-Y108 VanDerWaalsContact NE2-CD1 3.28Å; Q91-C123 VanDerWaalsContact CD-CB 3.41Å; Q91-C123 HydrophobicContact CG-CB 3.99Å; Q91-C123 PolarHBondContact OE1-SG 2.87Å |
| 92 | Q | 89.2 | Confident | 83.9 | Confident | 89 Ų | 89 | 64.7 Ų | 64.7 | 42% | 0.416 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 144.6 | -178.7 | -175.7 | 177 | 57.5 | 0 | 0 | 111.1 | T94 C102 T103 Y105 | Q92-T94 HydrophobicContact CG-CG2 4.48Å; Q92-C102 WeakPolarHBondContact O-CA 3.38Å; Q92-T103 WeakPolarHBondContact CB-OG1 3.34Å; Q92-T103 VanDerWaalsContact CG-OG1 3.3Å; Q92-T103 WeakPolarHBondContact CG-OG1 3.39Å; Q92-T103 PolarHBondContact N-O 2.96Å; Q92-T103 PolarHBondContact O-N 2.98Å; Q92-T103 PolarHBondContact OE1-OG1 3.17Å; Q92-Y105 HydrophobicContact CB-CE1 4.27Å |
| 93 | C | 90.1 | Very high | 84.3 | Confident | 34 Ų | 34 | 62.3 Ų | 62.3 | 23% | 0.23 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 143.7 | 172.1 | 179.5 | 0 | 0 | 0 | 0 | 108.8 | C84 C89 | C84-C93 WeakPolarHBondContact CA-SG 3.47Å; C84-C93 HydrophobicContact CB-CB 3.77Å; C84-C93 WeakPolarHBondContact CB-SG 3.44Å; C84-C93 VanDerWaalsContact SG-C 3.53Å; C84-C93 WeakPolarHBondContact SG-CB 3.02Å; C84-C93 CovalentContact SG-SG 2.04Å; C84-C93 PolarHBondContact SG-SG 3.37Å; C89-C93 HydrophobicContact CB-CB 4.13Å |
| 94 | T | 87.9 | Confident | 84.7 | Confident | 58 Ų | 58 | 62.7 Ų | 62.7 | 36% | 0.356 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 140.9 | 176.6 | 51.5 | 0 | 0 | 0 | 0 | 110.5 | Q92 V101 | Q92-T94 HydrophobicContact CG-CG2 4.48Å; T94-V101 PolarHBondContact N-O 3.48Å; T94-V101 PolarHBondContact O-N 2.86Å; T94-V101 PolarHBondContact OG1-O 3.28Å; T94-V101 VanDerWaalsContact OG1-O 3.06Å |
| 95 | D | 86.3 | Confident | 85 | Confident | 70 Ų | 70 | 67 Ų | 67 | 37% | 0.374 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 108.3 | 169.6 | 176.3 | 14 | 0 | 0 | 0 | 109.3 | K70 V83 F97 G98 | K70-D95 IonicContact NZ-OD2 2.67Å; K70-D95 PolarHBondContact NZ-OD2 3.39Å; V83-D95 HydrophobicContact CB-CB 4.43Å; V83-D95 HydrophobicContact CG2-CB 4.05Å; D95-F97 PolarHBondContact OD1-N 2.82Å; D95-G98 VanDerWaalsContact OD1-CA 3.3Å; D95-G98 WeakPolarHBondContact OD1-CA 3.33Å; D95-G98 PolarHBondContact OD1-N 3.31Å |
| 96 | H | 83.1 | Confident | 85.4 | Confident | 85 Ų | 85 | 70.9 Ų | 70.9 | 39% | 0.394 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 84 | 169.9 | -175.1 | -77.9 | 0 | 0 | 0 | 109.9 | R99 V101 | H96-R99 PolarHBondContact N-O 3.4Å; H96-R99 WeakPolarHBondContact O-CB 3.48Å; H96-R99 PolarHBondContact O-N 3.42Å; H96-V101 HydrophobicContact CB-CG2 3.67Å |
| 97 | F | 80.4 | Confident | 86 | Confident | 147 Ų | 147 | 68 Ų | 68 | 65% | 0.645 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 64.5 | -176.9 | -60.2 | -91.3 | 0 | 0 | 0 | 112.2 | V72 D95 R99 | V72-F97 VanDerWaalsContact CG1-C 3.44Å; V72-F97 HydrophobicContact CG1-CB 4.5Å; V72-F97 WeakPolarHBondContact CG1-O 3.5Å; D95-F97 PolarHBondContact OD1-N 2.82Å; F97-R99 PolarHBondContact O-N 2.92Å; F97-R99 VanDerWaalsContact O-N 3.16Å |
| 98 | G | 74.2 | Confident | 86.6 | Confident | 25 Ų | 25 | 69.7 Ų | 69.7 | 26% | 0.258 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 3.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | D95 | D95-G98 VanDerWaalsContact OD1-CA 3.3Å; D95-G98 WeakPolarHBondContact OD1-CA 3.33Å; D95-G98 PolarHBondContact OD1-N 3.31Å |
| 99 | R | 79.3 | Confident | 87.1 | Confident | 176 Ų | 176 | 72.9 Ų | 72.9 | 66% | 0.664 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 128.1 | 173.5 | -179.3 | 177.9 | -71.8 | -154.7 | 1.7 | 109.9 | H96 F97 V101 | H96-R99 PolarHBondContact N-O 3.4Å; H96-R99 WeakPolarHBondContact O-CB 3.48Å; H96-R99 PolarHBondContact O-N 3.42Å; F97-R99 PolarHBondContact O-N 2.92Å; F97-R99 VanDerWaalsContact O-N 3.16Å; R99-V101 HydrophobicContact CG-CG2 4.38Å; R99-V101 PolarHBondContact O-N 3.06Å |
| 100 | V | 84.4 | Confident | 87.4 | Confident | 53 Ų | 53 | 76.6 Ų | 76.6 | 32% | 0.321 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 117.1 | 163.3 | 176.2 | 0 | 0 | 0 | 0 | 109.1 | V83 A87 | V83-V100 HydrophobicContact CG1-CG2 3.6Å; V83-V100 WeakPolarHBondContact O-CG2 3.47Å; A87-V100 HydrophobicContact CB-CG1 3.61Å; A87-V100 HydrophobicContact CB-CG2 4.02Å |
| 101 | V | 86.8 | Confident | 87.6 | Confident | 44 Ų | 44 | 75 Ų | 75 | 27% | 0.267 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 108.2 | 166.2 | 179.3 | 0 | 0 | 0 | 0 | 107.9 | T94 H96 R99 T103 | T94-V101 PolarHBondContact N-O 3.48Å; T94-V101 PolarHBondContact O-N 2.86Å; T94-V101 PolarHBondContact OG1-O 3.28Å; T94-V101 VanDerWaalsContact OG1-O 3.06Å; H96-V101 HydrophobicContact CB-CG2 3.67Å; R99-V101 HydrophobicContact CG-CG2 4.38Å; R99-V101 PolarHBondContact O-N 3.06Å; V101-T103 HydrophobicContact CG1-CG2 4.36Å |
| 102 | C | 87.6 | Confident | 87.6 | Confident | 33 Ų | 33 | 82.9 Ų | 82.9 | 22% | 0.223 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 133.7 | 172.5 | -57.1 | 0 | 0 | 0 | 0 | 110.1 | C89 Q92 | C89-C102 WeakPolarHBondContact CA-SG 3.02Å; C89-C102 HydrophobicContact CB-CB 3.71Å; C89-C102 WeakPolarHBondContact CB-SG 3.04Å; C89-C102 WeakPolarHBondContact SG-CA 3.31Å; C89-C102 WeakPolarHBondContact SG-CB 3.5Å; C89-C102 CovalentContact SG-SG 2.04Å; C89-C102 PolarHBondContact SG-SG 2.69Å; Q92-C102 WeakPolarHBondContact O-CA 3.38Å |
| 103 | T | 89.3 | Confident | 87.6 | Confident | 48 Ų | 48 | 85.7 Ų | 85.7 | 29% | 0.294 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 161.3 | 176.1 | 43.6 | 0 | 0 | 0 | 0 | 110.5 | Q92 V101 | Q92-T103 WeakPolarHBondContact CB-OG1 3.34Å; Q92-T103 VanDerWaalsContact CG-OG1 3.3Å; Q92-T103 WeakPolarHBondContact CG-OG1 3.39Å; Q92-T103 PolarHBondContact N-O 2.96Å; Q92-T103 PolarHBondContact O-N 2.98Å; Q92-T103 PolarHBondContact OE1-OG1 3.17Å; V101-T103 HydrophobicContact CG1-CG2 4.36Å |
| 104 | C | 92.6 | Very high | 87.6 | Confident | 23 Ų | 23 | 88.4 Ų | 88.4 | 16% | 0.155 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -100.8 | 159.3 | 172 | -56.3 | 0 | 0 | 0 | 0 | 110.2 | Q91 C123 | Q91-C104 VanDerWaalsContact OE1-CB 3.31Å; C104-C123 WeakPolarHBondContact CA-SG 3.41Å; C104-C123 HydrophobicContact CB-CB 3.77Å; C104-C123 WeakPolarHBondContact CB-SG 3.27Å; C104-C123 WeakPolarHBondContact SG-CA 3.4Å; C104-C123 WeakPolarHBondContact SG-CB 3.38Å; C104-C123 CovalentContact SG-SG 2.04Å; C104-C123 PolarHBondContact SG-SG 3.41Å |
| 105 | Y | 93.1 | Very high | 87.4 | Confident | 125 Ų | 125 | 88.5 Ų | 88.5 | 49% | 0.49 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 165.8 | 172.1 | -59.7 | -47.7 | 0 | 0 | 0 | 111.4 | Q91 Q92 Y108 | Q91-Y105 HydrophobicContact CB-CD1 4.47Å; Q91-Y105 HydrophobicContact CB-CD2 3.82Å; Q91-Y105 HydrophobicContact CB-CE1 4.34Å; Q91-Y105 HydrophobicContact CB-CE2 3.69Å; Q91-Y105 HydrophobicContact CB-CG 4.21Å; Q91-Y105 HydrophobicContact CG-CD2 3.81Å; Q91-Y105 HydrophobicContact CG-CE2 3.83Å; Q91-Y105 PolarHBondContact O-OH 2.89Å; Q92-Y105 HydrophobicContact CB-CE1 4.27Å; Y105-Y108 WeakPolarHBondContact O-CB 3.47Å; Y105-Y108 PolarHBondContact O-N 2.62Å; Y105-Y108 VanDerWaalsContact O-N 3.08Å |
| 106 | L | 90.8 | Very high | 87.5 | Confident | 166 Ų | 166 | 95.1 Ų | 95.1 | 87% | 0.869 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 143.3 | 170.2 | -58.4 | 176.5 | 0 | 0 | 0 | 109.9 | Y108 | L106-Y108 VanDerWaalsContact C-N 3.26Å; L106-Y108 WeakPolarHBondContact O-CD2 3.06Å; L106-Y108 PolarHBondContact O-N 3.46Å |
| 107 | G | 89.6 | Confident | 87.8 | Confident | 15 Ų | 15 | 95.5 Ų | 95.5 | 16% | 0.155 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | -0.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115 | I126 | G107-I126 WeakPolarHBondContact O-CB 3.47Å; G107-I126 WeakPolarHBondContact O-CG1 3.34Å; G107-I126 PolarHBondContact O-N 2.89Å |
| 108 | Y | 93.6 | Very high | 88.1 | Confident | 57 Ų | 57 | 98.7 Ų | 98.7 | 22% | 0.224 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 144.4 | 174.5 | -63.5 | -97.4 | 0 | 0 | 0 | 111.9 | Q91 Y105 L106 C123 L124 A145 G146 | Q91-Y108 VanDerWaalsContact NE2-CD1 3.28Å; Y105-Y108 WeakPolarHBondContact O-CB 3.47Å; Y105-Y108 PolarHBondContact O-N 2.62Å; Y105-Y108 VanDerWaalsContact O-N 3.08Å; L106-Y108 VanDerWaalsContact C-N 3.26Å; L106-Y108 WeakPolarHBondContact O-CD2 3.06Å; L106-Y108 PolarHBondContact O-N 3.46Å; Y108-C123 HydrophobicContact CD1-CB 4.44Å; Y108-L124 CarbonylContact C-O 3.59Å; Y108-L124 VanDerWaalsContact CA-O 3.28Å; Y108-L124 WeakPolarHBondContact CA-O 3.3Å; Y108-A145 WeakPolarHBondContact OH-CB 3.03Å; Y108-A145 PolarHBondContact OH-O 2.87Å; Y108-A145 VanDerWaalsContact OH-O 3.13Å; Y108-G146 PolarHBondContact OH-N 3.03Å |
| 109 | R | 90.5 | Very high | 88.8 | Confident | 151 Ų | 151 | 102.6 Ų | 102.6 | 57% | 0.57 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 143.4 | 175 | 55.9 | 178.3 | 172.8 | 141.4 | -2.2 | 110.8 | L124 D125 I126 | R109-L124 HydrophobicContact CG-CB 4.17Å; R109-L124 WeakPolarHBondContact CG-O 3.34Å; R109-L124 PolarHBondContact N-O 3.12Å; R109-L124 PolarHBondContact O-N 2.92Å; R109-D125 PolarHBondContact NE-O 2.81Å; R109-I126 HydrophobicContact CB-CD1 4.15Å; R109-I126 HydrophobicContact CB-CG1 3.86Å; R109-I126 HydrophobicContact CG-CG1 3.84Å |
| 110 | Y | 91.2 | Very high | 89.1 | Confident | 103 Ų | 103 | 100.4 Ų | 100.4 | 40% | 0.404 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 119.1 | -177.5 | -178.7 | -102 | 0 | 0 | 0 | 112.3 | R112 H115 | Y110-R112 HydrophobicContact CD1-CB 4.49Å; Y110-R112 HydrophobicContact CE1-CB 4.25Å; Y110-R112 PolarHBondContact O-N 3Å; Y110-H115 HydrophobicContact CE2-CB 4.43Å; Y110-H115 AromaticContact CZ-CG 3.98Å; Y110-H115 WeakPolarHBondContact OH-CB 3.36Å; Y110-H115 PolarHBondContact OH-CD2 2.91Å; Y110-H115 PolarHBondContact OH-ND1 3.06Å |
| 111 | D | 91.3 | Very high | 89.3 | Confident | 35 Ų | 35 | 100.8 Ų | 100.8 | 19% | 0.187 | 45% | 0.451 | C | S | . | . | trans | -89.4 | 99.6 | 175.9 | -171.2 | -30.4 | 0 | 0 | 0 | 110.8 | E113 R114 H115 Y122 L124 | D111-E113 VanDerWaalsContact C-N 3.28Å; D111-E113 PolarHBondContact O-N 2.96Å; D111-E113 PolarHBondContact OD1-N 3.34Å; D111-R114 HydrophobicContact CB-CB 4Å; D111-R114 HydrophobicContact CB-CG 4.23Å; D111-R114 PolarHBondContact OD1-N 3.02Å; D111-R114 WeakPolarHBondContact OD2-CD 3.38Å; D111-R114 WeakPolarHBondContact OD2-CG 3.45Å; D111-R114 IonicContact OD2-CZ 2.75Å; D111-R114 IonicContact OD2-NE 2.62Å; D111-R114 PolarHBondContact OD2-NE 2.9Å; D111-H115 PolarHBondContact O-N 2.72Å; D111-H115 VanDerWaalsContact O-N 3.11Å; D111-Y122 WeakPolarHBondContact CB-O 3.32Å; D111-Y122 PolarHBondContact N-O 3.14Å; D111-L124 HydrophobicContact CB-CD1 4.01Å; D111-L124 HydrophobicContact CB-CG 4.06Å; D111-L124 WeakPolarHBondContact OD2-CD1 3.31Å | ||
| 112 | R | 87.9 | Confident | 89.4 | Confident | 203 Ų | 203 | 99.6 Ų | 99.6 | 77% | 0.766 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -65.8 | -28.1 | 179.4 | -173.9 | 177.9 | -179.1 | 173.6 | 2.9 | 112.9 | Y110 R116 | Y110-R112 HydrophobicContact CD1-CB 4.49Å; Y110-R112 HydrophobicContact CE1-CB 4.25Å; Y110-R112 PolarHBondContact O-N 3Å; R112-R116 WeakPolarHBondContact O-CB 3.25Å; R112-R116 PolarHBondContact O-N 3.39Å; R112-R116 VanDerWaalsContact O-N 3.12Å |
| 113 | E | 89.4 | Confident | 89.6 | Confident | 148 Ų | 148 | 98.4 Ų | 98.4 | 69% | 0.692 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -77.4 | -46 | -178 | -59.3 | -162.7 | 155.6 | 0 | 0 | 110.3 | D111 H115 R116 N117 | D111-E113 VanDerWaalsContact C-N 3.28Å; D111-E113 PolarHBondContact O-N 2.96Å; D111-E113 PolarHBondContact OD1-N 3.34Å; E113-H115 PolarHBondContact O-N 3.37Å; E113-R116 WeakPolarHBondContact O-CB 3.49Å; E113-R116 PolarHBondContact O-N 3.11Å; E113-N117 VanDerWaalsContact O-CG 3.26Å; E113-N117 PolarHBondContact O-N 3.44Å; E113-N117 PolarHBondContact O-OD1 3.16Å |
| 114 | R | 89.7 | Confident | 89.8 | Confident | 92 Ų | 92 | 97.5 Ų | 97.5 | 35% | 0.347 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -56.8 | -46.1 | 170.3 | -79.7 | -177.6 | -152.5 | -107.8 | -3 | 113.2 | D111 R116 N117 R118 E119 P121 Y122 | D111-R114 HydrophobicContact CB-CB 4Å; D111-R114 HydrophobicContact CB-CG 4.23Å; D111-R114 PolarHBondContact OD1-N 3.02Å; D111-R114 WeakPolarHBondContact OD2-CD 3.38Å; D111-R114 WeakPolarHBondContact OD2-CG 3.45Å; D111-R114 IonicContact OD2-CZ 2.75Å; D111-R114 IonicContact OD2-NE 2.62Å; D111-R114 PolarHBondContact OD2-NE 2.9Å; R114-R116 VanDerWaalsContact C-N 3.3Å; R114-R116 PolarHBondContact O-N 2.94Å; R114-N117 CarbonylContact O-C 3.44Å; R114-N117 PolarHBondContact O-N 2.04Å; R114-N117 VanDerWaalsContact O-N 3.14Å; R114-R118 WeakPolarHBondContact O-CA 3.45Å; R114-R118 PolarHBondContact O-N 3.25Å; R114-E119 HydrophobicContact CB-CB 4.43Å; R114-E119 VanDerWaalsContact CB-O 3.32Å; R114-E119 WeakPolarHBondContact CB-O 3.01Å; R114-E119 HydrophobicContact CG-CB 4.27Å; R114-E119 PolarHBondContact O-N 2.96Å; R114-P121 WeakPolarHBondContact CD-O 3.41Å; R114-Y122 HydrophobicContact CB-CD1 4.15Å |
| 115 | H | 85.3 | Confident | 89.9 | Confident | 60 Ų | 60 | 98.7 Ų | 98.7 | 28% | 0.278 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 177.2 | -176.8 | -86.1 | 0 | 0 | 0 | 111.9 | Y110 D111 E113 N117 R118 Y122 | Y110-H115 HydrophobicContact CE2-CB 4.43Å; Y110-H115 AromaticContact CZ-CG 3.98Å; Y110-H115 WeakPolarHBondContact OH-CB 3.36Å; Y110-H115 PolarHBondContact OH-CD2 2.91Å; Y110-H115 PolarHBondContact OH-ND1 3.06Å; D111-H115 PolarHBondContact O-N 2.72Å; D111-H115 VanDerWaalsContact O-N 3.11Å; E113-H115 PolarHBondContact O-N 3.37Å; H115-N117 VanDerWaalsContact C-N 3.35Å; H115-R118 PolarHBondContact O-N 3.33Å; H115-Y122 HydrophobicContact CB-CD1 4.17Å; H115-Y122 HydrophobicContact CB-CG 4.19Å; H115-Y122 AromaticContact CD2-CD2 3.69Å; H115-Y122 AromaticContact CD2-CE2 3.76Å |
| 116 | R | 86.7 | Confident | 89.8 | Confident | 209 Ų | 209 | 95.8 Ų | 95.8 | 79% | 0.789 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -62.8 | -39.7 | 173.4 | 172.9 | -177.7 | 172.8 | -173 | -2.4 | 112.1 | R112 E113 R114 | R112-R116 WeakPolarHBondContact O-CB 3.25Å; R112-R116 PolarHBondContact O-N 3.39Å; R112-R116 VanDerWaalsContact O-N 3.12Å; E113-R116 WeakPolarHBondContact O-CB 3.49Å; E113-R116 PolarHBondContact O-N 3.11Å; R114-R116 VanDerWaalsContact C-N 3.3Å; R114-R116 PolarHBondContact O-N 2.94Å |
| 117 | N | 89.9 | Confident | 89.8 | Confident | 93 Ų | 93 | 91.3 Ų | 91.3 | 50% | 0.497 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -82.4 | -11.8 | -179.6 | -63.5 | -7.8 | 0 | 0 | 0 | 113.8 | E113 R114 H115 E119 | E113-N117 VanDerWaalsContact O-CG 3.26Å; E113-N117 PolarHBondContact O-N 3.44Å; E113-N117 PolarHBondContact O-OD1 3.16Å; R114-N117 CarbonylContact O-C 3.44Å; R114-N117 PolarHBondContact O-N 2.04Å; R114-N117 VanDerWaalsContact O-N 3.14Å; H115-N117 VanDerWaalsContact C-N 3.35Å; N117-E119 VanDerWaalsContact C-N 3.31Å; N117-E119 HydrophobicContact CB-CB 4.45Å; N117-E119 HydrophobicContact CB-CG 3.8Å; N117-E119 WeakPolarHBondContact CB-OE2 3.46Å; N117-E119 PolarHBondContact ND2-OE2 2.83Å |
| 118 | R | 86.1 | Confident | 89.9 | Confident | 213 Ų | 213 | 92.3 Ų | 92.3 | 80% | 0.804 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | 26.3 | -170.7 | -50.1 | 179 | 178.2 | -174.3 | -2.1 | 114.4 | R114 H115 | R114-R118 WeakPolarHBondContact O-CA 3.45Å; R114-R118 PolarHBondContact O-N 3.25Å; H115-R118 PolarHBondContact O-N 3.33Å |
| 119 | E | 88.8 | Confident | 89.7 | Confident | 108 Ų | 108 | 91.7 Ų | 91.7 | 51% | 0.505 | 41% | 0.405 | S | S | . | . | trans | -90.7 | 98.8 | 179.6 | -66.1 | 177 | 107 | 0 | 0 | 111.2 | R114 N117 Y122 | R114-E119 HydrophobicContact CB-CB 4.43Å; R114-E119 VanDerWaalsContact CB-O 3.32Å; R114-E119 WeakPolarHBondContact CB-O 3.01Å; R114-E119 HydrophobicContact CG-CB 4.27Å; R114-E119 PolarHBondContact O-N 2.96Å; N117-E119 VanDerWaalsContact C-N 3.31Å; N117-E119 HydrophobicContact CB-CB 4.45Å; N117-E119 HydrophobicContact CB-CG 3.8Å; N117-E119 WeakPolarHBondContact CB-OE2 3.46Å; N117-E119 PolarHBondContact ND2-OE2 2.83Å; E119-Y122 WeakPolarHBondContact O-CD1 3.12Å | ||
| 120 | K | 85.8 | Confident | 89.6 | Confident | 129 Ų | 129 | 87.3 Ų | 87.3 | 56% | 0.561 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -74.4 | 149.9 | 176.3 | -67.9 | -165.8 | 175.5 | -162.4 | 0 | 112.2 | Y122 | K120-Y122 HydrophobicContact CG-CD1 4.3Å; K120-Y122 HydrophobicContact CG-CE1 3.78Å; K120-Y122 HydrophobicContact CG-CE2 4.08Å |
| 121 | P | 89.2 | Confident | 89 | Confident | 61 Ų | 61 | 87.8 Ų | 87.8 | 40% | 0.396 | 41% | 0.411 | S | S | . | . | cis | -77 | 147.8 | -3.4 | 31.1 | -34.9 | 0 | 0 | 0 | 113.3 | E90 R114 L124 | E90-P121 VanDerWaalsContact OE1-CA 3.25Å; E90-P121 WeakPolarHBondContact OE1-CA 3.5Å; E90-P121 WeakPolarHBondContact OE1-CB 3.3Å; E90-P121 WeakPolarHBondContact OE2-CA 3Å; E90-P121 WeakPolarHBondContact OE2-CB 3.09Å; R114-P121 WeakPolarHBondContact CD-O 3.41Å; P121-L124 HydrophobicContact CG-CD2 4.08Å | ||
| 122 | Y | 88.8 | Confident | 87.7 | Confident | 19 Ų | 19 | 95.6 Ų | 95.6 | 8% | 0.075 | 44% | 0.444 | C | S | . | . | trans | -89.8 | -33 | 174 | -48.3 | -39.4 | 0 | 0 | 0 | 111.8 | E90 D111 R114 H115 E119 K120 L124 | E90-Y122 HydrophobicContact CB-CD2 4.34Å; E90-Y122 PolarHBondContact OE2-N 3.33Å; D111-Y122 WeakPolarHBondContact CB-O 3.32Å; D111-Y122 PolarHBondContact N-O 3.14Å; R114-Y122 HydrophobicContact CB-CD1 4.15Å; H115-Y122 HydrophobicContact CB-CD1 4.17Å; H115-Y122 HydrophobicContact CB-CG 4.19Å; H115-Y122 AromaticContact CD2-CD2 3.69Å; H115-Y122 AromaticContact CD2-CE2 3.76Å; E119-Y122 WeakPolarHBondContact O-CD1 3.12Å; K120-Y122 HydrophobicContact CG-CD1 4.3Å; K120-Y122 HydrophobicContact CG-CE1 3.78Å; K120-Y122 HydrophobicContact CG-CE2 4.08Å; Y122-L124 PolarHBondContact O-N 3.17Å | ||
| 123 | C | 93.2 | Very high | 86.5 | Confident | 9 Ų | 9 | 94.1 Ų | 94.1 | 6% | 0.061 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 101.6 | 172.6 | -69.9 | 0 | 0 | 0 | 0 | 108.8 | E90 Q91 C104 Y108 | E90-C123 PolarHBondContact OE2-N 2.84Å; Q91-C123 VanDerWaalsContact CD-CB 3.41Å; Q91-C123 HydrophobicContact CG-CB 3.99Å; Q91-C123 PolarHBondContact OE1-SG 2.87Å; C104-C123 WeakPolarHBondContact CA-SG 3.41Å; C104-C123 HydrophobicContact CB-CB 3.77Å; C104-C123 WeakPolarHBondContact CB-SG 3.27Å; C104-C123 WeakPolarHBondContact SG-CA 3.4Å; C104-C123 WeakPolarHBondContact SG-CB 3.38Å; C104-C123 CovalentContact SG-SG 2.04Å; C104-C123 PolarHBondContact SG-SG 3.41Å; Y108-C123 HydrophobicContact CD1-CB 4.44Å |
| 124 | L | 92.4 | Very high | 85.3 | Confident | 29 Ų | 29 | 93.3 Ų | 93.3 | 15% | 0.152 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 144.3 | 177.9 | -61.1 | -174.6 | 0 | 0 | 0 | 110.8 | Y108 R109 D111 P121 Y122 | Y108-L124 CarbonylContact C-O 3.59Å; Y108-L124 VanDerWaalsContact CA-O 3.28Å; Y108-L124 WeakPolarHBondContact CA-O 3.3Å; R109-L124 HydrophobicContact CG-CB 4.17Å; R109-L124 WeakPolarHBondContact CG-O 3.34Å; R109-L124 PolarHBondContact N-O 3.12Å; R109-L124 PolarHBondContact O-N 2.92Å; D111-L124 HydrophobicContact CB-CD1 4.01Å; D111-L124 HydrophobicContact CB-CG 4.06Å; D111-L124 WeakPolarHBondContact OD2-CD1 3.31Å; P121-L124 HydrophobicContact CG-CD2 4.08Å; Y122-L124 PolarHBondContact O-N 3.17Å |
| 125 | D | 94.5 | Very high | 84.2 | Confident | 48 Ų | 48 | 94 Ų | 94 | 26% | 0.257 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.4 | 143.6 | 169.6 | -158.5 | 48.8 | 0 | 0 | 0 | 111.5 | R109 N143 A145 G146 | R109-D125 PolarHBondContact NE-O 2.81Å; D125-N143 PolarHBondContact OD2-ND2 3.13Å; D125-A145 WeakPolarHBondContact OD1-CA 3.49Å; D125-G146 PolarHBondContact OD1-N 3.48Å |
| 126 | I | 91.8 | Very high | 84.1 | Confident | 64 Ų | 64 | 91.8 Ų | 91.8 | 33% | 0.328 | 46% | 0.46 | S | S | . | . | trans | -97.7 | 108.9 | 169.1 | -59.8 | 173.7 | 0 | 0 | 0 | 106.7 | G107 R109 E128 | G107-I126 WeakPolarHBondContact O-CB 3.47Å; G107-I126 WeakPolarHBondContact O-CG1 3.34Å; G107-I126 PolarHBondContact O-N 2.89Å; R109-I126 HydrophobicContact CB-CD1 4.15Å; R109-I126 HydrophobicContact CB-CG1 3.86Å; R109-I126 HydrophobicContact CG-CG1 3.84Å; I126-E128 HydrophobicContact CG2-CG 4.12Å; I126-E128 PolarHBondContact O-N 3.47Å; I126-E128 VanDerWaalsContact O-N 3.11Å; I126-E128 VanDerWaalsContact O-OE2 3.08Å | ||
| 127 | D | 91.3 | Very high | 84.1 | Confident | 72 Ų | 72 | 82.5 Ų | 82.5 | 39% | 0.385 | 43% | 0.426 | S | S | . | . | trans | -81.2 | 89.1 | 176.5 | -172.2 | -18.5 | 0 | 0 | 0 | 110 | C129 A130 | D127-C129 PolarHBondContact O-N 2.75Å; D127-C129 VanDerWaalsContact O-N 3.13Å; D127-C129 WeakPolarHBondContact OD1-CA 3.36Å; D127-C129 VanDerWaalsContact OD1-CB 3.31Å; D127-C129 WeakPolarHBondContact OD1-CB 3.31Å; D127-C129 PolarHBondContact OD1-N 3.29Å; D127-A130 HydrophobicContact CB-CB 4.06Å; D127-A130 WeakPolarHBondContact O-CB 3.47Å; D127-A130 PolarHBondContact O-N 2.82Å; D127-A130 VanDerWaalsContact O-N 3.12Å; D127-A130 PolarHBondContact OD1-N 3.28Å; D127-A130 VanDerWaalsContact OD1-N 3.13Å | ||
| 128 | E | 90.4 | Very high | 84.1 | Confident | 36 Ų | 36 | 80.9 Ų | 80.9 | 17% | 0.168 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -7.9 | 178.2 | -54.2 | 98.3 | 157.3 | 0 | 0 | 113.2 | I126 A136 F148 | I126-E128 HydrophobicContact CG2-CG 4.12Å; I126-E128 PolarHBondContact O-N 3.47Å; I126-E128 VanDerWaalsContact O-N 3.11Å; I126-E128 VanDerWaalsContact O-OE2 3.08Å; E128-A136 HydrophobicContact CB-CB 4.01Å; E128-A136 WeakPolarHBondContact O-CB 3.3Å; E128-F148 HydrophobicContact CB-CB 4.44Å; E128-F148 HydrophobicContact CB-CD1 3.69Å; E128-F148 HydrophobicContact CB-CE1 4.21Å; E128-F148 HydrophobicContact CB-CG 4.21Å; E128-F148 VanDerWaalsContact CD-CD1 3.46Å; E128-F148 HydrophobicContact CG-CD1 3.8Å; E128-F148 HydrophobicContact CG-CE1 4.2Å; E128-F148 WeakPolarHBondContact OE2-CD1 3.48Å; E128-F148 PolarHBondContact OE2-N 3.46Å |
| 129 | C | 89.4 | Confident | 84.2 | Confident | 43 Ų | 43 | 73.6 Ų | 73.6 | 29% | 0.291 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -12.6 | 174.1 | -54.7 | 0 | 0 | 0 | 0 | 113.3 | D127 C141 I142 N143 | D127-C129 PolarHBondContact O-N 2.75Å; D127-C129 VanDerWaalsContact O-N 3.13Å; D127-C129 WeakPolarHBondContact OD1-CA 3.36Å; D127-C129 VanDerWaalsContact OD1-CB 3.31Å; D127-C129 WeakPolarHBondContact OD1-CB 3.31Å; D127-C129 PolarHBondContact OD1-N 3.29Å; C129-C141 WeakPolarHBondContact CA-SG 3.38Å; C129-C141 HydrophobicContact CB-CB 3.71Å; C129-C141 WeakPolarHBondContact CB-SG 3.48Å; C129-C141 WeakPolarHBondContact SG-CB 3.45Å; C129-C141 CovalentContact SG-SG 2.04Å; C129-C141 PolarHBondContact SG-SG 2.87Å; C129-I142 PolarHBondContact SG-N 3.05Å; C129-N143 HydrophobicContact CB-CB 4.5Å; C129-N143 PolarHBondContact SG-N 2.73Å |
| 130 | A | 88.3 | Confident | 84.2 | Confident | 60 Ų | 60 | 71.8 Ų | 71.8 | 50% | 0.496 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -38.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D127 K132 | D127-A130 HydrophobicContact CB-CB 4.06Å; D127-A130 WeakPolarHBondContact O-CB 3.47Å; D127-A130 PolarHBondContact O-N 2.82Å; D127-A130 VanDerWaalsContact O-N 3.12Å; D127-A130 PolarHBondContact OD1-N 3.28Å; D127-A130 VanDerWaalsContact OD1-N 3.13Å; A130-K132 PolarHBondContact O-N 3.26Å; A130-K132 VanDerWaalsContact O-N 3.12Å |
| 131 | D | 79.9 | Confident | 84.5 | Confident | 113 Ų | 113 | 67.5 Ų | 67.5 | 60% | 0.604 | 38% | 0.376 | S | S | * | . | trans | -85.1 | 86 | -172.4 | -86.2 | -37.1 | 0 | 0 | 0 | 113 | N133 M134 | D131-N133 PolarHBondContact O-N 2.87Å; D131-M134 PolarHBondContact O-N 2.93Å | ||
| 132 | K | 63.6 | Low | 84.6 | Confident | 199 Ų | 199 | 66.9 Ų | 66.9 | 87% | 0.865 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -14 | -179.1 | -62.3 | -175 | 179.1 | -176.7 | 0 | 116.5 | A130 | A130-K132 PolarHBondContact O-N 3.26Å; A130-K132 VanDerWaalsContact O-N 3.12Å |
| 133 | N | 62.7 | Low | 84.8 | Confident | 171 Ų | 171 | 68 Ų | 68 | 91% | 0.914 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -14 | 177.1 | -70.9 | -9.5 | 0 | 0 | 0 | 113.4 | D131 | D131-N133 PolarHBondContact O-N 2.87Š|
| 134 | M | 63.2 | Low | 84.8 | Confident | 132 Ų | 132 | 70.2 Ų | 70.2 | 65% | 0.65 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -125.5 | 87.7 | 180 | -170.4 | 169 | 72 | 0 | 0 | 108.4 | D131 A136 | D131-M134 PolarHBondContact O-N 2.93Å; M134-A136 PolarHBondContact O-N 3.44Å |
| 135 | S | 67.8 | Low | 84.8 | Confident | 106 Ų | 106 | 72.6 Ų | 72.6 | 74% | 0.741 | 41% | 0.414 | S | S | * | . | trans | -66.3 | 89.3 | -174.1 | 58.2 | 0 | 0 | 0 | 0 | 111.7 | C137 | S135-C137 PolarHBondContact O-N 3.23Š| ||
| 136 | A | 82.5 | Confident | 84.5 | Confident | 14 Ų | 14 | 71 Ų | 71 | 12% | 0.116 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -57 | -34.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E128 M134 F148 K163 | E128-A136 HydrophobicContact CB-CB 4.01Å; E128-A136 WeakPolarHBondContact O-CB 3.3Å; M134-A136 PolarHBondContact O-N 3.44Å; A136-F148 HydrophobicContact CB-CD1 4.39Å; A136-F148 HydrophobicContact CB-CD2 3.91Å; A136-F148 HydrophobicContact CB-CE1 4.2Å; A136-F148 HydrophobicContact CB-CE2 3.71Å; A136-F148 HydrophobicContact CB-CG 4.23Å; A136-F148 HydrophobicContact CB-CZ 3.85Å; A136-F148 WeakPolarHBondContact O-CE2 3.43Å; A136-K163 WeakPolarHBondContact O-CD 3.38Å; A136-K163 WeakPolarHBondContact O-CG 3.28Å |
| 137 | C | 87.8 | Confident | 84.6 | Confident | 13 Ų | 13 | 71 Ų | 71 | 9% | 0.088 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -127.6 | 154.2 | 174.3 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | S135 C141 C150 | S135-C137 PolarHBondContact O-N 3.23Å; C137-C141 HydrophobicContact CB-CB 3.97Å; C137-C150 WeakPolarHBondContact CA-SG 3.2Å; C137-C150 HydrophobicContact CB-CB 3.64Å; C137-C150 WeakPolarHBondContact CB-SG 3.33Å; C137-C150 WeakPolarHBondContact SG-CA 3.44Å; C137-C150 WeakPolarHBondContact SG-CB 3.21Å; C137-C150 CovalentContact SG-SG 2.03Å; C137-C150 PolarHBondContact SG-SG 2.98Å |
| 138 | S | 88.6 | Confident | 84.6 | Confident | 60 Ų | 60 | 69.6 Ų | 69.6 | 42% | 0.42 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -77.5 | -22.9 | 175.3 | 60.6 | 0 | 0 | 0 | 0 | 114.7 | K163 T164 C165 | S138-K163 WeakPolarHBondContact CB-O 3.27Å; S138-K163 PolarHBondContact N-O 2.75Å; S138-K163 PolarHBondContact OG-O 2.95Å; S138-T164 WeakPolarHBondContact OG-CA 3.49Å; S138-C165 WeakPolarHBondContact OG-CB 3.41Å; S138-C165 PolarHBondContact OG-N 2.58Å |
| 139 | Q | 88.3 | Confident | 84.7 | Confident | 60 Ų | 60 | 73.3 Ų | 73.3 | 28% | 0.28 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -133.1 | -96.5 | -179.4 | -67.3 | -177.2 | -0.1 | 0 | 0 | 111.6 | Y156 C165 | Q139-Y156 VanDerWaalsContact NE2-CG 3.31Å; Q139-C165 HydrophobicContact CB-CB 4.32Å; Q139-C165 HydrophobicContact CG-CB 3.75Å |
| 140 | I | 89.9 | Confident | 84.8 | Confident | 69 Ų | 69 | 71.7 Ų | 71.7 | 35% | 0.354 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 119.9 | -177.5 | -46.5 | 175.4 | 0 | 0 | 0 | 108.5 | I142 C150 E151 E153 | I140-I142 HydrophobicContact CG2-CD1 4.43Å; I140-I142 HydrophobicContact CG2-CG1 4.1Å; I140-C150 WeakPolarHBondContact O-CA 3.5Å; I140-E151 WeakPolarHBondContact CA-O 3.34Å; I140-E151 HydrophobicContact CB-CB 4.28Å; I140-E151 WeakPolarHBondContact CB-O 3.21Å; I140-E151 PolarHBondContact N-O 2.62Å; I140-E151 PolarHBondContact O-N 3.46Å; I140-E153 HydrophobicContact CD1-CG 4.33Å; I140-E153 HydrophobicContact CG1-CG 4.4Å |
| 141 | C | 92.1 | Very high | 85 | Confident | 39 Ų | 39 | 72.8 Ų | 72.8 | 26% | 0.264 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 131.1 | 171.3 | -169.7 | 0 | 0 | 0 | 0 | 109.4 | C129 C137 | C129-C141 WeakPolarHBondContact CA-SG 3.38Å; C129-C141 HydrophobicContact CB-CB 3.71Å; C129-C141 WeakPolarHBondContact CB-SG 3.48Å; C129-C141 WeakPolarHBondContact SG-CB 3.45Å; C129-C141 CovalentContact SG-SG 2.04Å; C129-C141 PolarHBondContact SG-SG 2.87Å; C137-C141 HydrophobicContact CB-CB 3.97Å |
| 142 | I | 91.4 | Very high | 85.6 | Confident | 48 Ų | 48 | 69 Ų | 69 | 25% | 0.246 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 108 | 175.2 | -54.5 | 178.5 | 0 | 0 | 0 | 108.8 | C129 I140 R149 E151 | C129-I142 PolarHBondContact SG-N 3.05Å; I140-I142 HydrophobicContact CG2-CD1 4.43Å; I140-I142 HydrophobicContact CG2-CG1 4.1Å; I142-R149 HydrophobicContact CB-CG 4.22Å; I142-R149 PolarHBondContact N-O 2.8Å; I142-R149 PolarHBondContact O-N 3.41Å; I142-E151 HydrophobicContact CD1-CB 4.39Å; I142-E151 VanDerWaalsContact CD1-CD 3.41Å; I142-E151 HydrophobicContact CD1-CG 4.02Å; I142-E151 WeakPolarHBondContact CD1-OE1 3.16Å |
| 143 | N | 92.8 | Very high | 86.9 | Confident | 44 Ų | 44 | 65 Ų | 65 | 24% | 0.235 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 144.3 | 174.5 | -175.1 | 27 | 0 | 0 | 0 | 110.8 | D125 C129 | D125-N143 PolarHBondContact OD2-ND2 3.13Å; C129-N143 HydrophobicContact CB-CB 4.5Å; C129-N143 PolarHBondContact SG-N 2.73Å |
| 144 | T | 91.9 | Very high | 88.1 | Confident | 54 Ų | 54 | 67.1 Ų | 67.1 | 33% | 0.331 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 159.6 | 174.9 | 68.5 | 0 | 0 | 0 | 0 | 109.6 | G146 S147 | T144-G146 PolarHBondContact O-N 2.04Å; T144-S147 CarbonylContact C-O 3.58Å; T144-S147 VanDerWaalsContact C-O 3.29Å; T144-S147 VanDerWaalsContact CA-O 3.27Å; T144-S147 WeakPolarHBondContact CA-O 3.44Å; T144-S147 WeakPolarHBondContact CB-O 3.05Å; T144-S147 PolarHBondContact N-O 3.43Å; T144-S147 CarbonylContact O-C 2.81Å; T144-S147 PolarHBondContact O-N 2.83Å; T144-S147 PolarHBondContact OG1-O 3.46Å |
| 145 | A | 92.1 | Very high | 89.2 | Confident | 80 Ų | 80 | 62.9 Ų | 62.9 | 66% | 0.661 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 102.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y108 D125 | Y108-A145 WeakPolarHBondContact OH-CB 3.03Å; Y108-A145 PolarHBondContact OH-O 2.87Å; Y108-A145 VanDerWaalsContact OH-O 3.13Å; D125-A145 WeakPolarHBondContact OD1-CA 3.49Å |
| 146 | G | 90.1 | Very high | 90.2 | Very high | 15 Ų | 15 | 61.7 Ų | 61.7 | 16% | 0.155 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | 10.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y108 D125 T144 | Y108-G146 PolarHBondContact OH-N 3.03Å; D125-G146 PolarHBondContact OD1-N 3.48Å; T144-G146 PolarHBondContact O-N 2.04Å |
| 147 | S | 91.9 | Very high | 90.5 | Very high | 62 Ų | 62 | 64.7 Ų | 64.7 | 43% | 0.434 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.8 | 156.9 | 175.3 | -145.8 | 0 | 0 | 0 | 0 | 112.5 | T144 | T144-S147 CarbonylContact C-O 3.58Å; T144-S147 VanDerWaalsContact C-O 3.29Å; T144-S147 VanDerWaalsContact CA-O 3.27Å; T144-S147 WeakPolarHBondContact CA-O 3.44Å; T144-S147 WeakPolarHBondContact CB-O 3.05Å; T144-S147 PolarHBondContact N-O 3.43Å; T144-S147 CarbonylContact O-C 2.81Å; T144-S147 PolarHBondContact O-N 2.83Å; T144-S147 PolarHBondContact OG1-O 3.46Å |
| 148 | F | 92.4 | Very high | 90.6 | Very high | 44 Ų | 44 | 67.7 Ų | 67.7 | 19% | 0.193 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 159.8 | 165.7 | 67.4 | -79.9 | 0 | 0 | 0 | 111.8 | E128 A136 K163 | E128-F148 HydrophobicContact CB-CB 4.44Å; E128-F148 HydrophobicContact CB-CD1 3.69Å; E128-F148 HydrophobicContact CB-CE1 4.21Å; E128-F148 HydrophobicContact CB-CG 4.21Å; E128-F148 VanDerWaalsContact CD-CD1 3.46Å; E128-F148 HydrophobicContact CG-CD1 3.8Å; E128-F148 HydrophobicContact CG-CE1 4.2Å; E128-F148 WeakPolarHBondContact OE2-CD1 3.48Å; E128-F148 PolarHBondContact OE2-N 3.46Å; A136-F148 HydrophobicContact CB-CD1 4.39Å; A136-F148 HydrophobicContact CB-CD2 3.91Å; A136-F148 HydrophobicContact CB-CE1 4.2Å; A136-F148 HydrophobicContact CB-CE2 3.71Å; A136-F148 HydrophobicContact CB-CG 4.23Å; A136-F148 HydrophobicContact CB-CZ 3.85Å; A136-F148 WeakPolarHBondContact O-CE2 3.43Å; F148-K163 HydrophobicContact CE2-CG 4.49Å |
| 149 | R | 91.8 | Very high | 90.6 | Very high | 113 Ų | 113 | 68.9 Ų | 68.9 | 43% | 0.426 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 153.2 | 162.1 | 73 | 177.2 | -169.2 | -76.2 | -4 | 111.1 | I142 E151 | I142-R149 HydrophobicContact CB-CG 4.22Å; I142-R149 PolarHBondContact N-O 2.8Å; I142-R149 PolarHBondContact O-N 3.41Å; R149-E151 IonicContact CZ-OE1 2.8Å; R149-E151 IonicContact NE-OE1 2.78Å; R149-E151 PolarHBondContact NE-OE1 2.82Å; R149-E151 IonicContact NH2-OE1 2.62Å; R149-E151 PolarHBondContact NH2-OE1 2.91Å |
| 150 | C | 92.3 | Very high | 90.6 | Very high | 9 Ų | 9 | 74.7 Ų | 74.7 | 6% | 0.061 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 136.6 | 176.7 | -54.1 | 0 | 0 | 0 | 0 | 110.8 | C137 I140 L158 G162 | C137-C150 WeakPolarHBondContact CA-SG 3.2Å; C137-C150 HydrophobicContact CB-CB 3.64Å; C137-C150 WeakPolarHBondContact CB-SG 3.33Å; C137-C150 WeakPolarHBondContact SG-CA 3.44Å; C137-C150 WeakPolarHBondContact SG-CB 3.21Å; C137-C150 CovalentContact SG-SG 2.03Å; C137-C150 PolarHBondContact SG-SG 2.98Å; I140-C150 WeakPolarHBondContact O-CA 3.5Å; C150-L158 HydrophobicContact CB-CD1 3.85Å; C150-G162 WeakPolarHBondContact CB-O 3.37Å; C150-G162 PolarHBondContact SG-O 3.49Å |
| 151 | E | 91.6 | Very high | 90.4 | Very high | 83 Ų | 83 | 75.3 Ų | 75.3 | 39% | 0.388 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 151.3 | 171 | -69.2 | -177 | -161.1 | 0 | 0 | 109.1 | I140 I142 R149 | I140-E151 WeakPolarHBondContact CA-O 3.34Å; I140-E151 HydrophobicContact CB-CB 4.28Å; I140-E151 WeakPolarHBondContact CB-O 3.21Å; I140-E151 PolarHBondContact N-O 2.62Å; I140-E151 PolarHBondContact O-N 3.46Å; I142-E151 HydrophobicContact CD1-CB 4.39Å; I142-E151 VanDerWaalsContact CD1-CD 3.41Å; I142-E151 HydrophobicContact CD1-CG 4.02Å; I142-E151 WeakPolarHBondContact CD1-OE1 3.16Å; R149-E151 IonicContact CZ-OE1 2.8Å; R149-E151 IonicContact NE-OE1 2.78Å; R149-E151 PolarHBondContact NE-OE1 2.82Å; R149-E151 IonicContact NH2-OE1 2.62Å; R149-E151 PolarHBondContact NH2-OE1 2.91Å |
| 152 | C | 92.3 | Very high | 90.1 | Very high | 33 Ų | 33 | 75 Ų | 75 | 22% | 0.223 | 40% | 0.403 | C | S | . | . | trans | -109.9 | 150.8 | -175.3 | -53.9 | 0 | 0 | 0 | 0 | 111.6 | F157 L158 C165 | C152-F157 VanDerWaalsContact SG-C 3.59Å; C152-L158 VanDerWaalsContact SG-CA 3.57Å; C152-L158 PolarHBondContact SG-N 3.35Å; C152-L158 VanDerWaalsContact SG-N 3.38Å; C152-C165 WeakPolarHBondContact CA-SG 3.34Å; C152-C165 HydrophobicContact CB-CB 3.73Å; C152-C165 WeakPolarHBondContact CB-SG 3.47Å; C152-C165 WeakPolarHBondContact SG-CB 3.15Å; C152-C165 CovalentContact SG-SG 2.04Å; C152-C165 PolarHBondContact SG-SG 2.83Å | ||
| 153 | E | 91.6 | Very high | 90 | Very high | 116 Ų | 116 | 77.3 Ų | 77.3 | 54% | 0.542 | 41% | 0.411 | S | S | . | . | trans | -68 | 163.1 | 175.3 | -63.9 | -165.8 | 159.4 | 0 | 0 | 112.2 | I140 G155 Y156 | I140-E153 HydrophobicContact CD1-CG 4.33Å; I140-E153 HydrophobicContact CG1-CG 4.4Å; E153-G155 PolarHBondContact O-N 3.12Å; E153-Y156 HydrophobicContact CB-CD2 4.14Å; E153-Y156 PolarHBondContact O-N 3.16Å | ||
| 154 | K | 88.3 | Confident | 89.9 | Confident | 216 Ų | 216 | 77.6 Ų | 77.6 | 94% | 0.939 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 113.5 | -175.9 | -67.3 | 178.3 | -179.9 | 175.4 | 0 | 111.3 | ||
| 155 | G | 85.8 | Confident | 89.8 | Confident | 42 Ų | 42 | 75.5 Ų | 75.5 | 43% | 0.433 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 102 | 5.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E153 | E153-G155 PolarHBondContact O-N 3.12Š|
| 156 | Y | 89.3 | Confident | 89.7 | Confident | 81 Ų | 81 | 74.5 Ų | 74.5 | 32% | 0.318 | 39% | 0.388 | S | S | . | . | trans | -114.7 | 155 | 168.7 | -65.5 | -100.6 | 0 | 0 | 0 | 110 | Q139 E153 C165 T166 K167 | Q139-Y156 VanDerWaalsContact NE2-CG 3.31Å; E153-Y156 HydrophobicContact CB-CD2 4.14Å; E153-Y156 PolarHBondContact O-N 3.16Å; Y156-C165 WeakPolarHBondContact CD1-O 3.49Å; Y156-T166 WeakPolarHBondContact CA-O 3.29Å; Y156-K167 HydrophobicContact CD1-CB 3.8Å; Y156-K167 HydrophobicContact CD1-CG 4.33Å; Y156-K167 HydrophobicContact CE1-CB 3.56Å; Y156-K167 HydrophobicContact CE1-CG 4.03Å | ||
| 157 | F | 87.9 | Confident | 89.5 | Confident | 77 Ų | 77 | 81.2 Ų | 81.2 | 34% | 0.338 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 144.8 | 176.7 | -62.2 | -67.5 | 0 | 0 | 0 | 110.3 | C152 C165 T166 G168 R170 | C152-F157 VanDerWaalsContact SG-C 3.59Å; F157-C165 CarbonylContact O-C 3.57Å; F157-C165 VanDerWaalsContact O-CA 3.29Å; F157-C165 WeakPolarHBondContact O-CA 3.47Å; F157-T166 PolarHBondContact N-O 2.96Å; F157-T166 PolarHBondContact O-N 2.85Å; F157-G168 WeakPolarHBondContact CE2-O 3.47Å; F157-R170 VanDerWaalsContact CE1-NH2 3.3Å; F157-R170 HydrophobicContact CE2-CG 3.77Å; F157-R170 HydrophobicContact CZ-CG 3.79Å; F157-R170 VanDerWaalsContact CZ-NE 3.28Å |
| 158 | L | 90.6 | Very high | 88.5 | Confident | 76 Ų | 76 | 79.7 Ų | 79.7 | 40% | 0.398 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 132.6 | 177.9 | -163.6 | 70.6 | 0 | 0 | 0 | 109 | C150 C152 T164 | C150-L158 HydrophobicContact CB-CD1 3.85Å; C152-L158 VanDerWaalsContact SG-CA 3.57Å; C152-L158 PolarHBondContact SG-N 3.35Å; C152-L158 VanDerWaalsContact SG-N 3.38Å; L158-T164 WeakPolarHBondContact CA-O 3.25Å |
| 159 | E | 89.1 | Confident | 87 | Confident | 85 Ų | 85 | 86.3 Ų | 86.3 | 40% | 0.397 | 44% | 0.439 | S | S | . | . | trans | -82.9 | 171.5 | 178.1 | -60.2 | -167.3 | 141.6 | 0 | 0 | 111.8 | D161 G162 T164 T166 | E159-D161 PolarHBondContact O-N 3.04Å; E159-G162 PolarHBondContact O-N 3.27Å; E159-T164 PolarHBondContact N-O 2.81Å; E159-T164 VanDerWaalsContact OE2-CG2 3.26Å; E159-T164 WeakPolarHBondContact OE2-CG2 3.42Å; E159-T166 VanDerWaalsContact CD-CG2 3.49Å; E159-T166 VanDerWaalsContact CD-OG1 3.29Å; E159-T166 HydrophobicContact CG-CG2 4.33Å; E159-T166 WeakPolarHBondContact CG-OG1 3.22Å; E159-T166 WeakPolarHBondContact OE1-CB 3.21Å; E159-T166 WeakPolarHBondContact OE1-CG2 3.4Å; E159-T166 PolarHBondContact OE1-OG1 2.87Å | ||
| 160 | D | 86.8 | Confident | 85.4 | Confident | 183 Ų | 183 | 89.6 Ų | 89.6 | 98% | 0.979 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -11.1 | -178.2 | -63.7 | -47.6 | 0 | 0 | 0 | 113.8 | G162 | D160-G162 VanDerWaalsContact C-N 3.25Š|
| 161 | D | 86.4 | Confident | 83.4 | Confident | 81 Ų | 81 | 94.2 Ų | 94.2 | 43% | 0.433 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -12.2 | 171.8 | 80.8 | -22.7 | 0 | 0 | 0 | 113.5 | E159 K163 T164 | E159-D161 PolarHBondContact O-N 3.04Å; D161-K163 PolarHBondContact O-N 2.97Å; D161-K163 PolarHBondContact OD1-N 3.33Å; D161-T164 PolarHBondContact OD1-N 3.46Å; D161-T164 VanDerWaalsContact OD2-CB 3.29Å; D161-T164 WeakPolarHBondContact OD2-CB 3.42Å; D161-T164 PolarHBondContact OD2-N 3.08Å; D161-T164 PolarHBondContact OD2-OG1 3.12Å |
| 162 | G | 86.3 | Confident | 81.4 | Confident | 33 Ų | 33 | 97.4 Ų | 97.4 | 34% | 0.34 | 49% | 0.494 | S | S | . | . | S | Bend | trans | 70.1 | 12.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | C150 E159 D160 | C150-G162 WeakPolarHBondContact CB-O 3.37Å; C150-G162 PolarHBondContact SG-O 3.49Å; E159-G162 PolarHBondContact O-N 3.27Å; D160-G162 VanDerWaalsContact C-N 3.25Å |
| 163 | K | 88.7 | Confident | 79.3 | Confident | 96 Ų | 96 | 102.1 Ų | 102.1 | 42% | 0.417 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -138.1 | -35.1 | -171.1 | -61.3 | 180 | -178.1 | -168.7 | 0 | 114.6 | A136 S138 F148 D161 | A136-K163 WeakPolarHBondContact O-CD 3.38Å; A136-K163 WeakPolarHBondContact O-CG 3.28Å; S138-K163 WeakPolarHBondContact CB-O 3.27Å; S138-K163 PolarHBondContact N-O 2.75Å; S138-K163 PolarHBondContact OG-O 2.95Å; F148-K163 HydrophobicContact CE2-CG 4.49Å; D161-K163 PolarHBondContact O-N 2.97Å; D161-K163 PolarHBondContact OD1-N 3.33Å |
| 164 | T | 90.4 | Very high | 77.2 | Confident | 50 Ų | 50 | 105.4 Ų | 105.4 | 31% | 0.307 | 53% | 0.529 | S | S | . | . | trans | -89 | 131.7 | -177 | -59.2 | 0 | 0 | 0 | 0 | 110 | S138 L158 E159 D161 T166 | S138-T164 WeakPolarHBondContact OG-CA 3.49Å; L158-T164 WeakPolarHBondContact CA-O 3.25Å; E159-T164 PolarHBondContact N-O 2.81Å; E159-T164 VanDerWaalsContact OE2-CG2 3.26Å; E159-T164 WeakPolarHBondContact OE2-CG2 3.42Å; D161-T164 PolarHBondContact OD1-N 3.46Å; D161-T164 VanDerWaalsContact OD2-CB 3.29Å; D161-T164 WeakPolarHBondContact OD2-CB 3.42Å; D161-T164 PolarHBondContact OD2-N 3.08Å; D161-T164 PolarHBondContact OD2-OG1 3.12Å; T164-T166 HydrophobicContact CG2-CG2 4.22Å | ||
| 165 | C | 91.2 | Very high | 75.3 | Confident | 11 Ų | 11 | 102 Ų | 102 | 7% | 0.074 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 98.5 | -177.9 | -72.1 | 0 | 0 | 0 | 0 | 109.3 | S138 Q139 C152 Y156 F157 | S138-C165 WeakPolarHBondContact OG-CB 3.41Å; S138-C165 PolarHBondContact OG-N 2.58Å; Q139-C165 HydrophobicContact CB-CB 4.32Å; Q139-C165 HydrophobicContact CG-CB 3.75Å; C152-C165 WeakPolarHBondContact CA-SG 3.34Å; C152-C165 HydrophobicContact CB-CB 3.73Å; C152-C165 WeakPolarHBondContact CB-SG 3.47Å; C152-C165 WeakPolarHBondContact SG-CB 3.15Å; C152-C165 CovalentContact SG-SG 2.04Å; C152-C165 PolarHBondContact SG-SG 2.83Å; Y156-C165 WeakPolarHBondContact CD1-O 3.49Å; F157-C165 CarbonylContact O-C 3.57Å; F157-C165 VanDerWaalsContact O-CA 3.29Å; F157-C165 WeakPolarHBondContact O-CA 3.47Å |
| 166 | T | 89.1 | Confident | 73.4 | Confident | 59 Ų | 59 | 108.4 Ų | 108.4 | 36% | 0.362 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 150.8 | 179.1 | 49 | 0 | 0 | 0 | 0 | 112.8 | Y156 F157 E159 T164 G168 | Y156-T166 WeakPolarHBondContact CA-O 3.29Å; F157-T166 PolarHBondContact N-O 2.96Å; F157-T166 PolarHBondContact O-N 2.85Å; E159-T166 VanDerWaalsContact CD-CG2 3.49Å; E159-T166 VanDerWaalsContact CD-OG1 3.29Å; E159-T166 HydrophobicContact CG-CG2 4.33Å; E159-T166 WeakPolarHBondContact CG-OG1 3.22Å; E159-T166 WeakPolarHBondContact OE1-CB 3.21Å; E159-T166 WeakPolarHBondContact OE1-CG2 3.4Å; E159-T166 PolarHBondContact OE1-OG1 2.87Å; T164-T166 HydrophobicContact CG2-CG2 4.22Å; T166-G168 VanDerWaalsContact C-N 3.29Å; T166-G168 PolarHBondContact O-N 2.8Å |
| 167 | K | 86.1 | Confident | 71.5 | Confident | 156 Ų | 156 | 109.7 Ų | 109.7 | 68% | 0.678 | 55% | 0.552 | S | S | * | * | trans | -82.9 | 72.8 | -175.4 | -164.9 | -171.1 | 173.1 | -173.1 | 0 | 110.8 | Y156 E169 | Y156-K167 HydrophobicContact CD1-CB 3.8Å; Y156-K167 HydrophobicContact CD1-CG 4.33Å; Y156-K167 HydrophobicContact CE1-CB 3.56Å; Y156-K167 HydrophobicContact CE1-CG 4.03Å; K167-E169 PolarHBondContact O-N 3.47Å | ||
| 168 | G | 70.1 | Confident | 69.6 | Low | 30 Ų | 30 | 112 Ų | 112 | 31% | 0.309 | 57% | 0.568 | S | S | . | * | trans | -67.4 | 114.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111 | F157 T166 R170 | F157-G168 WeakPolarHBondContact CE2-O 3.47Å; T166-G168 VanDerWaalsContact C-N 3.29Å; T166-G168 PolarHBondContact O-N 2.8Å; G168-R170 PolarHBondContact O-N 3.08Å | ||
| 169 | E | 62.3 | Low | 67.9 | Low | 182 Ų | 182 | 114.4 Ų | 114.4 | 85% | 0.85 | 58% | 0.581 | S | S | * | * | trans | -60.6 | 125.7 | 141.2 | -75.3 | -168.6 | 156.7 | 0 | 0 | 106.7 | K167 V171 | K167-E169 PolarHBondContact O-N 3.47Å; E169-V171 VanDerWaalsContact C-N 3.26Å; E169-V171 PolarHBondContact O-N 2.97Å | ||
| 170 | R | 56.3 | Low | 66.2 | Low | 182 Ų | 182 | 118.3 Ų | 118.3 | 69% | 0.687 | 60% | 0.603 | S | S | * | * | trans | -67.6 | 95.2 | 165.5 | -76.6 | -175.9 | 177.6 | 147 | -4.2 | 107.5 | F157 G168 H172 | F157-R170 VanDerWaalsContact CE1-NH2 3.3Å; F157-R170 HydrophobicContact CE2-CG 3.77Å; F157-R170 HydrophobicContact CZ-CG 3.79Å; F157-R170 VanDerWaalsContact CZ-NE 3.28Å; G168-R170 PolarHBondContact O-N 3.08Å; R170-H172 PolarHBondContact O-N 3.46Å; R170-H172 VanDerWaalsContact O-N 3.11Å | ||
| 171 | V | 52 | Low | 64.6 | Low | 107 Ų | 107 | 116.3 Ų | 116.3 | 65% | 0.648 | 59% | 0.59 | S | S | * | * | trans | -48.4 | 120.7 | 145.1 | -178.1 | 0 | 0 | 0 | 0 | 105.3 | E169 L173 | E169-V171 VanDerWaalsContact C-N 3.26Å; E169-V171 PolarHBondContact O-N 2.97Å; V171-L173 HydrophobicContact CB-CD1 4.33Å; V171-L173 HydrophobicContact CG1-CD1 4.25Å; V171-L173 HydrophobicContact CG1-CG 4.05Å; V171-L173 PolarHBondContact O-N 3.43Å | ||
| 172 | H | 49.2 | Very low | 63.3 | Low | 150 Ų | 150 | 118.6 Ų | 118.6 | 69% | 0.694 | 60% | 0.602 | S | S | * | * | trans | -67.8 | 90.3 | 171 | -94.4 | -116.9 | 0 | 0 | 0 | 107 | R170 F174 E175 | R170-H172 PolarHBondContact O-N 3.46Å; R170-H172 VanDerWaalsContact O-N 3.11Å; H172-F174 CarbonylContact O-C 3.53Å; H172-E175 PolarHBondContact O-N 2.88Å | ||
| 173 | L | 48.1 | Very low | 61.2 | Low | 132 Ų | 132 | 122 Ų | 122 | 69% | 0.691 | 63% | 0.627 | S | S | * | * | trans | -93.6 | 54.3 | 167.6 | -87.6 | 153.7 | 0 | 0 | 0 | 108.1 | V171 E175 | V171-L173 HydrophobicContact CB-CD1 4.33Å; V171-L173 HydrophobicContact CG1-CD1 4.25Å; V171-L173 HydrophobicContact CG1-CG 4.05Å; V171-L173 PolarHBondContact O-N 3.43Å; L173-E175 HydrophobicContact CD2-CB 4.19Å; L173-E175 HydrophobicContact CD2-CG 3.78Å | ||
| 174 | F | 47.6 | Very low | 59.9 | Low | 185 Ų | 185 | 121.2 Ų | 121.2 | 81% | 0.811 | 65% | 0.647 | S | S | * | * | -27.4 | 53.8 | 57.3 | -61.7 | -75.9 | 0 | 0 | 0 | 121.8 | H172 K176 | H172-F174 CarbonylContact O-C 3.53Å; F174-K176 PolarHBondContact O-N 2.79Å | |||
| 175 | E | 48.1 | Very low | 58.6 | Low | 145 Ų | 145 | 123.8 Ų | 123.8 | 68% | 0.678 | 66% | 0.662 | S | S | * | * | trans | -59.5 | 124.1 | 136.8 | -88.1 | -174.3 | 138.6 | 0 | 0 | 104.4 | H172 L173 C177 | H172-E175 PolarHBondContact O-N 2.88Å; L173-E175 HydrophobicContact CD2-CB 4.19Å; L173-E175 HydrophobicContact CD2-CG 3.78Å; E175-C177 PolarHBondContact O-N 3.32Å; E175-C177 VanDerWaalsContact O-N 3.14Å | ||
| 176 | K | 46.1 | Very low | 57.1 | Low | 175 Ų | 175 | 129.9 Ų | 129.9 | 76% | 0.761 | 70% | 0.703 | S | S | * | * | trans | -52.4 | 123.6 | 159.5 | -110.1 | 177.9 | 169.9 | -174.6 | 0 | 105.8 | F174 D178 | F174-K176 PolarHBondContact O-N 2.79Å; K176-D178 PolarHBondContact O-N 2.79Å | ||
| 177 | C | 49.2 | Very low | 55.8 | Low | 108 Ų | 108 | 130.7 Ų | 130.7 | 73% | 0.73 | 71% | 0.711 | S | S | * | * | trans | -67.8 | 80 | 161.4 | -58.4 | 0 | 0 | 0 | 0 | 107.1 | E175 N179 | E175-C177 PolarHBondContact O-N 3.32Å; E175-C177 VanDerWaalsContact O-N 3.14Å; C177-N179 PolarHBondContact O-N 3.48Å; C177-N179 VanDerWaalsContact O-N 3.09Å; C177-N179 PolarHBondContact O-ND2 3.36Å; C177-N179 VanDerWaalsContact O-ND2 3.07Å | ||
| 178 | D | 47.3 | Very low | 55 | Low | 126 Ų | 126 | 125.8 Ų | 125.8 | 67% | 0.674 | 70% | 0.7 | S | S | * | * | trans | -62.1 | 112.5 | 167.9 | -79.3 | -21.2 | 0 | 0 | 0 | 105.9 | K176 L180 | K176-D178 PolarHBondContact O-N 2.79Å; D178-L180 PolarHBondContact O-N 3.16Å | ||
| 179 | N | 56.2 | Low | 55.2 | Low | 126 Ų | 126 | 127.5 Ų | 127.5 | 67% | 0.674 | 70% | 0.704 | S | S | * | * | trans | -76.1 | 62.9 | -162.6 | -68 | -77.4 | 0 | 0 | 0 | 112 | C177 M181 | C177-N179 PolarHBondContact O-N 3.48Å; C177-N179 VanDerWaalsContact O-N 3.09Å; C177-N179 PolarHBondContact O-ND2 3.36Å; C177-N179 VanDerWaalsContact O-ND2 3.07Å; N179-M181 PolarHBondContact O-N 2.81Å | ||
| 180 | L | 53.6 | Low | 55.5 | Low | 167 Ų | 167 | 123.7 Ų | 123.7 | 87% | 0.874 | 70% | 0.697 | S | S | * | * | trans | -80.3 | 71.7 | 178.3 | -159.3 | 69.6 | 0 | 0 | 0 | 110.1 | D178 N182 | D178-L180 PolarHBondContact O-N 3.16Å; L180-N182 PolarHBondContact O-N 2.93Å | ||
| 181 | M | 53.5 | Low | 56.5 | Low | 141 Ų | 141 | 119.9 Ų | 119.9 | 70% | 0.695 | 69% | 0.687 | S | S | * | * | trans | -53.4 | 123.3 | 175.3 | -68 | -70.8 | -176.8 | 0 | 0 | 110.5 | N179 | N179-M181 PolarHBondContact O-N 2.81Š| ||
| 182 | N | 57.4 | Low | 57.6 | Low | 130 Ų | 130 | 118.3 Ų | 118.3 | 70% | 0.695 | 68% | 0.675 | S | S | * | * | trans | -119.2 | 147 | 170.6 | -167.6 | 15.1 | 0 | 0 | 0 | 110.2 | L180 G184 | L180-N182 PolarHBondContact O-N 2.93Å; N182-G184 PolarHBondContact O-N 2.82Å; N182-G184 VanDerWaalsContact O-N 3.08Å | ||
| 183 | A | 42.5 | Very low | 58.8 | Low | 104 Ų | 104 | 117.6 Ų | 117.6 | 86% | 0.86 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 103.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 184 | G | 62 | Low | 60.1 | Low | 80 Ų | 80 | 114.9 Ų | 114.9 | 83% | 0.825 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 138.2 | -13.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | N182 | N182-G184 PolarHBondContact O-N 2.82Å; N182-G184 VanDerWaalsContact O-N 3.08Å |
| 185 | T | 62.3 | Low | 61.4 | Low | 103 Ų | 103 | 111.4 Ų | 111.4 | 63% | 0.632 | 64% | 0.642 | S | S | * | * | trans | -111.6 | 125.5 | 179.5 | 45.7 | 0 | 0 | 0 | 0 | 112.4 | S187 | T185-S187 PolarHBondContact O-N 3.34Š| ||
| 186 | C | 60.3 | Low | 63 | Low | 139 Ų | 139 | 109 Ų | 109 | 94% | 0.939 | 63% | 0.633 | S | S | * | * | trans | -85 | 96.8 | 173.4 | -64.9 | 0 | 0 | 0 | 0 | 110.7 | A188 | C186-A188 PolarHBondContact O-N 3.37Š| ||
| 187 | S | 62.9 | Low | 64.5 | Low | 76 Ų | 76 | 106.9 Ų | 106.9 | 53% | 0.531 | 62% | 0.624 | S | S | . | * | trans | -86.2 | 102.2 | 169.9 | 39.2 | 0 | 0 | 0 | 0 | 110.9 | T185 | T185-S187 PolarHBondContact O-N 3.34Š| ||
| 188 | A | 67.6 | Low | 66 | Low | 54 Ų | 54 | 105.5 Ų | 105.5 | 45% | 0.446 | 61% | 0.608 | S | S | . | * | trans | -69.8 | 136.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110 | C186 D192 F193 | C186-A188 PolarHBondContact O-N 3.37Å; A188-D192 HydrophobicContact CB-CB 4.18Å; A188-F193 HydrophobicContact CB-CD2 4.22Å; A188-F193 HydrophobicContact CB-CE2 3.87Å | ||
| 189 | T | 75.4 | Confident | 67.7 | Low | 65 Ų | 65 | 102.1 Ų | 102.1 | 40% | 0.399 | 60% | 0.597 | S | S | . | * | trans | -77.8 | 166 | -179.1 | 71.2 | 0 | 0 | 0 | 0 | 111.7 | E191 D192 F193 | T189-E191 PolarHBondContact O-N 3.11Å; T189-E191 PolarHBondContact OG1-N 2.83Å; T189-D192 WeakPolarHBondContact CA-OD2 3.33Å; T189-D192 VanDerWaalsContact CB-OD2 3.29Å; T189-D192 WeakPolarHBondContact CB-OD2 3.49Å; T189-D192 WeakPolarHBondContact CG2-OD2 3.46Å; T189-D192 PolarHBondContact N-OD2 3.43Å; T189-D192 WeakPolarHBondContact O-CB 3.3Å; T189-D192 PolarHBondContact O-N 2.84Å; T189-D192 VanDerWaalsContact O-N 3.12Å; T189-D192 VanDerWaalsContact OG1-CG 3.29Å; T189-D192 PolarHBondContact OG1-N 3.45Å; T189-D192 VanDerWaalsContact OG1-N 3.15Å; T189-D192 PolarHBondContact OG1-OD2 3.33Å; T189-F193 WeakPolarHBondContact O-CD2 3.35Å; T189-F193 PolarHBondContact O-N 3.18Å; T189-F193 VanDerWaalsContact O-N 3.08Å | ||
| 190 | C | 67.9 | Low | 68.9 | Low | 102 Ų | 102 | 100.3 Ų | 100.3 | 69% | 0.689 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -60.2 | -31 | 173 | -167.2 | 0 | 0 | 0 | 0 | 112.1 | F193 L194 | C190-F193 PolarHBondContact O-N 3.39Å; C190-L194 WeakPolarHBondContact O-CG 3.18Å; C190-L194 PolarHBondContact O-N 3.34Å |
| 191 | E | 76.4 | Confident | 69.9 | Low | 103 Ų | 103 | 96.4 Ų | 96.4 | 48% | 0.481 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.4 | -44 | 173.2 | -174 | 57.3 | -147.8 | 0 | 0 | 111.1 | T189 F193 L194 Q195 | T189-E191 PolarHBondContact O-N 3.11Å; T189-E191 PolarHBondContact OG1-N 2.83Å; E191-F193 VanDerWaalsContact C-N 3.29Å; E191-F193 PolarHBondContact O-N 2.88Å; E191-L194 CarbonylContact O-C 3.51Å; E191-L194 WeakPolarHBondContact O-CA 3.41Å; E191-L194 WeakPolarHBondContact O-CB 3.35Å; E191-L194 PolarHBondContact O-N 2.93Å; E191-Q195 HydrophobicContact CG-CG 4.45Å; E191-Q195 WeakPolarHBondContact O-CG 3.49Å; E191-Q195 PolarHBondContact O-N 3.5Å; E191-Q195 PolarHBondContact OE1-NE2 3.47Å |
| 192 | D | 76.6 | Confident | 71.1 | Confident | 74 Ų | 74 | 94.9 Ų | 94.9 | 40% | 0.396 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59 | -40.9 | 175.2 | -59.7 | -60.8 | 0 | 0 | 0 | 111.6 | A188 T189 Q195 I196 | A188-D192 HydrophobicContact CB-CB 4.18Å; T189-D192 WeakPolarHBondContact CA-OD2 3.33Å; T189-D192 VanDerWaalsContact CB-OD2 3.29Å; T189-D192 WeakPolarHBondContact CB-OD2 3.49Å; T189-D192 WeakPolarHBondContact CG2-OD2 3.46Å; T189-D192 PolarHBondContact N-OD2 3.43Å; T189-D192 WeakPolarHBondContact O-CB 3.3Å; T189-D192 PolarHBondContact O-N 2.84Å; T189-D192 VanDerWaalsContact O-N 3.12Å; T189-D192 VanDerWaalsContact OG1-CG 3.29Å; T189-D192 PolarHBondContact OG1-N 3.45Å; T189-D192 VanDerWaalsContact OG1-N 3.15Å; T189-D192 PolarHBondContact OG1-OD2 3.33Å; D192-Q195 PolarHBondContact O-N 2.85Å; D192-I196 WeakPolarHBondContact O-CB 3.36Å; D192-I196 WeakPolarHBondContact O-CD1 3.43Å; D192-I196 WeakPolarHBondContact O-CG1 3.24Å; D192-I196 PolarHBondContact O-N 3.42Å |
| 193 | F | 74.4 | Confident | 72.2 | Confident | 134 Ų | 134 | 93.2 Ų | 93.2 | 59% | 0.588 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.2 | -35.4 | 173.6 | -86.7 | -78.4 | 0 | 0 | 0 | 113.3 | A188 T189 C190 E191 K197 | A188-F193 HydrophobicContact CB-CD2 4.22Å; A188-F193 HydrophobicContact CB-CE2 3.87Å; T189-F193 WeakPolarHBondContact O-CD2 3.35Å; T189-F193 PolarHBondContact O-N 3.18Å; T189-F193 VanDerWaalsContact O-N 3.08Å; C190-F193 PolarHBondContact O-N 3.39Å; E191-F193 VanDerWaalsContact C-N 3.29Å; E191-F193 PolarHBondContact O-N 2.88Å; F193-K197 VanDerWaalsContact O-CB 3.25Å; F193-K197 WeakPolarHBondContact O-CB 3.43Å; F193-K197 PolarHBondContact O-N 3.16Å |
| 194 | L | 75 | Confident | 73.9 | Confident | 76 Ų | 76 | 95.6 Ų | 95.6 | 40% | 0.398 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.2 | -43.7 | 172.1 | -79.4 | 163.1 | 0 | 0 | 0 | 111.4 | C190 E191 K197 M198 | C190-L194 WeakPolarHBondContact O-CG 3.18Å; C190-L194 PolarHBondContact O-N 3.34Å; E191-L194 CarbonylContact O-C 3.51Å; E191-L194 WeakPolarHBondContact O-CA 3.41Å; E191-L194 WeakPolarHBondContact O-CB 3.35Å; E191-L194 PolarHBondContact O-N 2.93Å; L194-K197 WeakPolarHBondContact O-CB 3.36Å; L194-K197 PolarHBondContact O-N 3.43Å; L194-M198 WeakPolarHBondContact O-CG 3.47Å; L194-M198 PolarHBondContact O-N 3.26Å |
| 195 | Q | 75.4 | Confident | 74.7 | Confident | 111 Ų | 111 | 98.1 Ų | 98.1 | 52% | 0.519 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 176 | -66.1 | -60.9 | -26.3 | 0 | 0 | 111.6 | E191 D192 K197 M198 A199 | E191-Q195 HydrophobicContact CG-CG 4.45Å; E191-Q195 WeakPolarHBondContact O-CG 3.49Å; E191-Q195 PolarHBondContact O-N 3.5Å; E191-Q195 PolarHBondContact OE1-NE2 3.47Å; D192-Q195 PolarHBondContact O-N 2.85Å; Q195-K197 PolarHBondContact O-N 2.94Å; Q195-M198 PolarHBondContact O-N 3.12Å; Q195-A199 VanDerWaalsContact O-CB 3.31Å; Q195-A199 WeakPolarHBondContact O-CB 3.29Å; Q195-A199 PolarHBondContact O-N 3.15Å |
| 196 | I | 81.9 | Confident | 75.4 | Confident | 96 Ų | 96 | 99.4 Ų | 99.4 | 49% | 0.492 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.8 | -45.4 | 172.8 | -70 | 163.2 | 0 | 0 | 0 | 110.5 | D192 M198 A199 V200 | D192-I196 WeakPolarHBondContact O-CB 3.36Å; D192-I196 WeakPolarHBondContact O-CD1 3.43Å; D192-I196 WeakPolarHBondContact O-CG1 3.24Å; D192-I196 PolarHBondContact O-N 3.42Å; I196-M198 PolarHBondContact O-N 3.23Å; I196-A199 PolarHBondContact O-N 2.62Å; I196-V200 HydrophobicContact CG2-CG2 4.38Å; I196-V200 WeakPolarHBondContact O-CB 3.48Å; I196-V200 VanDerWaalsContact O-CG2 3.31Å; I196-V200 WeakPolarHBondContact O-CG2 3.45Å; I196-V200 PolarHBondContact O-N 3.28Å |
| 197 | K | 76.3 | Confident | 76 | Confident | 129 Ų | 129 | 98.6 Ų | 98.6 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.6 | -42.7 | 177 | -174.2 | -177.6 | -178.5 | 178.6 | 0 | 111.8 | F193 L194 Q195 L201 | F193-K197 VanDerWaalsContact O-CB 3.25Å; F193-K197 WeakPolarHBondContact O-CB 3.43Å; F193-K197 PolarHBondContact O-N 3.16Å; L194-K197 WeakPolarHBondContact O-CB 3.36Å; L194-K197 PolarHBondContact O-N 3.43Å; Q195-K197 PolarHBondContact O-N 2.94Å; K197-L201 HydrophobicContact CG-CD1 4.43Å; K197-L201 VanDerWaalsContact O-CG 3.3Å; K197-L201 WeakPolarHBondContact O-CG 3.43Å; K197-L201 PolarHBondContact O-N 2.7Å |
| 198 | M | 80.6 | Confident | 76.1 | Confident | 80 Ų | 80 | 97.8 Ų | 97.8 | 39% | 0.394 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.6 | -42.5 | 176 | -68.2 | -52 | 105.2 | 0 | 0 | 111.7 | L194 Q195 I196 V200 L201 Q202 | L194-M198 WeakPolarHBondContact O-CG 3.47Å; L194-M198 PolarHBondContact O-N 3.26Å; Q195-M198 PolarHBondContact O-N 3.12Å; I196-M198 PolarHBondContact O-N 3.23Å; M198-V200 PolarHBondContact O-N 3.46Å; M198-L201 HydrophobicContact CE-CD1 3.85Å; M198-L201 PolarHBondContact O-N 2.98Å; M198-L201 HydrophobicContact SD-CD1 4.47Å; M198-Q202 WeakPolarHBondContact O-CB 3.36Å; M198-Q202 WeakPolarHBondContact O-CG 3.5Å; M198-Q202 PolarHBondContact O-N 3.39Å |
| 199 | A | 82.7 | Confident | 75.8 | Confident | 55 Ų | 55 | 101.1 Ų | 101.1 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q195 I196 Q202 L203 | Q195-A199 VanDerWaalsContact O-CB 3.31Å; Q195-A199 WeakPolarHBondContact O-CB 3.29Å; Q195-A199 PolarHBondContact O-N 3.15Å; I196-A199 PolarHBondContact O-N 2.62Å; A199-Q202 PolarHBondContact O-N 2.79Å; A199-L203 VanDerWaalsContact O-CB 3.31Å; A199-L203 WeakPolarHBondContact O-CB 3.45Å; A199-L203 PolarHBondContact O-N 2.9Å |
| 200 | V | 81.9 | Confident | 74.9 | Confident | 87 Ų | 87 | 104.5 Ų | 104.5 | 53% | 0.527 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.2 | -39.6 | 175.1 | 170.1 | 0 | 0 | 0 | 0 | 111.6 | I196 M198 L203 K204 | I196-V200 HydrophobicContact CG2-CG2 4.38Å; I196-V200 WeakPolarHBondContact O-CB 3.48Å; I196-V200 VanDerWaalsContact O-CG2 3.31Å; I196-V200 WeakPolarHBondContact O-CG2 3.45Å; I196-V200 PolarHBondContact O-N 3.28Å; M198-V200 PolarHBondContact O-N 3.46Å; V200-L203 PolarHBondContact O-N 2.78Å; V200-K204 WeakPolarHBondContact O-CB 3.43Å; V200-K204 PolarHBondContact O-N 2.93Å |
| 201 | L | 75.8 | Confident | 74.1 | Confident | 86 Ų | 86 | 104.2 Ų | 104.2 | 45% | 0.45 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.8 | -42.9 | 174.2 | -73.5 | 170.4 | 0 | 0 | 0 | 112.1 | K197 M198 K204 Q205 | K197-L201 HydrophobicContact CG-CD1 4.43Å; K197-L201 VanDerWaalsContact O-CG 3.3Å; K197-L201 WeakPolarHBondContact O-CG 3.43Å; K197-L201 PolarHBondContact O-N 2.7Å; M198-L201 HydrophobicContact CE-CD1 3.85Å; M198-L201 PolarHBondContact O-N 2.98Å; M198-L201 HydrophobicContact SD-CD1 4.47Å; L201-K204 PolarHBondContact O-N 3.3Å; L201-Q205 PolarHBondContact O-N 3.46Å |
| 202 | Q | 78.3 | Confident | 73 | Confident | 108 Ų | 108 | 106 Ų | 106 | 51% | 0.505 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.8 | -38.9 | 173.8 | -72.4 | 179.6 | 18.7 | 0 | 0 | 112.1 | M198 A199 Q205 K206 | M198-Q202 WeakPolarHBondContact O-CB 3.36Å; M198-Q202 WeakPolarHBondContact O-CG 3.5Å; M198-Q202 PolarHBondContact O-N 3.39Å; A199-Q202 PolarHBondContact O-N 2.79Å; Q202-Q205 PolarHBondContact O-N 2.88Å; Q202-K206 WeakPolarHBondContact O-CB 3.49Å; Q202-K206 WeakPolarHBondContact O-CG 3.05Å; Q202-K206 PolarHBondContact O-N 3.17Å |
| 203 | L | 80.6 | Confident | 71.5 | Confident | 96 Ų | 96 | 107 Ų | 107 | 50% | 0.503 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.9 | -42.9 | 174.8 | -175.5 | 64.8 | 0 | 0 | 0 | 110.9 | A199 V200 Q205 K206 M207 | A199-L203 VanDerWaalsContact O-CB 3.31Å; A199-L203 WeakPolarHBondContact O-CB 3.45Å; A199-L203 PolarHBondContact O-N 2.9Å; V200-L203 PolarHBondContact O-N 2.78Å; L203-Q205 VanDerWaalsContact C-N 3.35Å; L203-Q205 PolarHBondContact O-N 2.92Å; L203-K206 PolarHBondContact O-N 2.93Å; L203-M207 HydrophobicContact CD1-CE 4.29Å; L203-M207 HydrophobicContact CD2-CE 4.38Å; L203-M207 HydrophobicContact CG-CE 4.19Å; L203-M207 WeakPolarHBondContact O-CG 3.21Å; L203-M207 PolarHBondContact O-N 3.45Å |
| 204 | K | 77.6 | Confident | 70.1 | Confident | 154 Ų | 154 | 104.7 Ų | 104.7 | 67% | 0.67 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.1 | -41 | 174.8 | -171.6 | 176.5 | -178.4 | 178 | 0 | 111.9 | V200 L201 A208 | V200-K204 WeakPolarHBondContact O-CB 3.43Å; V200-K204 PolarHBondContact O-N 2.93Å; L201-K204 PolarHBondContact O-N 3.3Å; K204-A208 WeakPolarHBondContact O-CB 3.42Å; K204-A208 PolarHBondContact O-N 2.92Å |
| 205 | Q | 79.1 | Confident | 68.4 | Low | 133 Ų | 133 | 108.5 Ų | 108.5 | 62% | 0.621 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66 | -42.3 | 172.1 | -94.3 | -178.3 | -32.7 | 0 | 0 | 112.6 | L201 Q202 L203 M207 A208 L209 | L201-Q205 PolarHBondContact O-N 3.46Å; Q202-Q205 PolarHBondContact O-N 2.88Å; L203-Q205 VanDerWaalsContact C-N 3.35Å; L203-Q205 PolarHBondContact O-N 2.92Å; Q205-M207 PolarHBondContact O-N 2.85Å; Q205-A208 PolarHBondContact O-N 3.29Å; Q205-L209 WeakPolarHBondContact O-CG 3.31Å; Q205-L209 PolarHBondContact O-N 3.44Å |
| 206 | K | 77.6 | Confident | 66.5 | Low | 129 Ų | 129 | 109.8 Ų | 109.8 | 56% | 0.561 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -63.2 | -40.5 | 176.3 | -75.2 | 172.7 | -179.8 | 176.7 | 0 | 112 | Q202 L203 L209 L210 | Q202-K206 WeakPolarHBondContact O-CB 3.49Å; Q202-K206 WeakPolarHBondContact O-CG 3.05Å; Q202-K206 PolarHBondContact O-N 3.17Å; L203-K206 PolarHBondContact O-N 2.93Å; K206-L209 PolarHBondContact O-N 2.79Å; K206-L210 WeakPolarHBondContact O-CB 3.4Å; K206-L210 VanDerWaalsContact O-CG 3.3Å; K206-L210 WeakPolarHBondContact O-CG 3.45Å; K206-L210 PolarHBondContact O-N 3.36Å |
| 207 | M | 71.2 | Confident | 64.8 | Low | 122 Ų | 122 | 110.3 Ų | 110.3 | 60% | 0.601 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62.4 | -42.2 | 172.6 | -65.2 | -122.2 | -168.6 | 0 | 0 | 112 | L203 Q205 L210 S211 | L203-M207 HydrophobicContact CD1-CE 4.29Å; L203-M207 HydrophobicContact CD2-CE 4.38Å; L203-M207 HydrophobicContact CG-CE 4.19Å; L203-M207 WeakPolarHBondContact O-CG 3.21Å; L203-M207 PolarHBondContact O-N 3.45Å; Q205-M207 PolarHBondContact O-N 2.85Å; M207-L210 PolarHBondContact O-N 3.31Å; M207-S211 PolarHBondContact O-N 2.04Å |
| 208 | A | 66.4 | Low | 62.7 | Low | 59 Ų | 59 | 111.4 Ų | 111.4 | 49% | 0.488 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -65.6 | -36.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K204 Q205 S211 | K204-A208 WeakPolarHBondContact O-CB 3.42Å; K204-A208 PolarHBondContact O-N 2.92Å; Q205-A208 PolarHBondContact O-N 3.29Å; A208-S211 WeakPolarHBondContact O-CB 3.06Å; A208-S211 PolarHBondContact O-N 3.11Å |
| 209 | L | 60.3 | Low | 60.4 | Low | 124 Ų | 124 | 115.7 Ų | 115.7 | 65% | 0.649 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -73.2 | -36 | 176.3 | -70.2 | 169.3 | 0 | 0 | 0 | 112.6 | Q205 K206 S211 N212 | Q205-L209 WeakPolarHBondContact O-CG 3.31Å; Q205-L209 PolarHBondContact O-N 3.44Å; K206-L209 PolarHBondContact O-N 2.79Å; L209-S211 PolarHBondContact O-N 2.86Å; L209-N212 PolarHBondContact O-N 3.01Å |
| 210 | L | 57.6 | Low | 57.8 | Low | 137 Ų | 137 | 121 Ų | 121 | 72% | 0.717 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -63.2 | -18.5 | 171.6 | -74.8 | 168 | 0 | 0 | 0 | 113.1 | K206 M207 N212 | K206-L210 WeakPolarHBondContact O-CB 3.4Å; K206-L210 VanDerWaalsContact O-CG 3.3Å; K206-L210 WeakPolarHBondContact O-CG 3.45Å; K206-L210 PolarHBondContact O-N 3.36Å; M207-L210 PolarHBondContact O-N 3.31Å; L210-N212 VanDerWaalsContact C-N 3.32Å |
| 211 | S | 50.8 | Low | 55.3 | Low | 96 Ų | 96 | 122.8 Ų | 122.8 | 67% | 0.671 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -12.7 | 173.5 | -168.6 | 0 | 0 | 0 | 0 | 113.8 | M207 A208 L209 | M207-S211 PolarHBondContact O-N 2.04Å; A208-S211 WeakPolarHBondContact O-CB 3.06Å; A208-S211 PolarHBondContact O-N 3.11Å; L209-S211 PolarHBondContact O-N 2.86Å |
| 212 | N | 52.5 | Low | 53.2 | Low | 141 Ų | 141 | 125.3 Ų | 125.3 | 75% | 0.754 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -129.4 | 54.2 | -171.6 | -80.5 | -5.4 | 0 | 0 | 0 | 112 | L209 L210 | L209-N212 PolarHBondContact O-N 3.01Å; L210-N212 VanDerWaalsContact C-N 3.32Å |
| 213 | S | 46.7 | Very low | 51.1 | Low | 95 Ų | 95 | 128.8 Ų | 128.8 | 66% | 0.664 | 71% | 0.707 | S | S | * | * | trans | -133.7 | 71.9 | 167.2 | 65.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 214 | A | 44 | Very low | 48.8 | Very low | 85 Ų | 85 | 133.7 Ų | 133.7 | 70% | 0.702 | 72% | 0.724 | S | S | * | * | trans | -85.8 | 161.2 | 150.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 215 | D | 39.5 | Very low | 47.2 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 83% | 0.834 | 73% | 0.731 | S | S | * | * | trans | 66.5 | 134.8 | -175 | -45.1 | -38.5 | 0 | 0 | 0 | 113.6 | ||||
| 216 | V | 36.3 | Very low | 44.8 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 83% | 0.83 | 74% | 0.742 | S | S | * | * | cis | -140.5 | -172.5 | 14.8 | -141.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 217 | P | 46.1 | Very low | 42.6 | Very low | 108 Ų | 108 | 135.9 Ų | 135.9 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | -116.2 | 161.2 | -107.6 | 41.6 | -27 | 0 | 0 | 0 | 117.2 | |||||
| 218 | V | 31.6 | Very low | 40.8 | Very low | 151 Ų | 151 | 135.2 Ų | 135.2 | 92% | 0.915 | 76% | 0.761 | S | S | * | * | trans | -138.5 | 153.5 | 148.5 | -176.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 219 | Q | 32.7 | Very low | 39.6 | Very low | 170 Ų | 170 | 137.5 Ų | 137.5 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | -98 | 166.5 | -167.7 | -59.2 | 177.9 | -48.5 | 0 | 0 | 115.3 | ||||
| 220 | M | 27.5 | Very low | 38.5 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 83% | 0.828 | 78% | 0.78 | S | S | * | * | trans | 104 | 129.5 | 148.4 | -74 | -171.4 | 172.2 | 0 | 0 | 121.8 | ||||
| 221 | T | 30 | Very low | 37.5 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | trans | 72.1 | 96.6 | 153.7 | 49.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 222 | N | 31.1 | Very low | 37 | Very low | 138 Ų | 138 | 144.2 Ų | 144.2 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | 63.1 | 131.3 | 129.6 | -70.4 | 28.2 | 0 | 0 | 0 | 123.1 | |||||
| 223 | E | 34.1 | Very low | 36.7 | Very low | 181 Ų | 181 | 143.3 Ų | 143.3 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | 57.4 | 106.1 | 148.3 | -65.2 | 179.7 | -148.4 | 0 | 0 | 119.1 | ||||
| 224 | K | 32.8 | Very low | 36.5 | Very low | 199 Ų | 199 | 141.8 Ų | 141.8 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | -178.9 | 145.2 | 94.1 | -171.1 | 164.5 | -177.4 | 175.1 | 0 | 111.5 | |||||
| 225 | I | 43.3 | Very low | 36.8 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | trans | -77.5 | 127.4 | 172.3 | -61.6 | 164.8 | 0 | 0 | 0 | 109.3 | ||||
| 226 | M | 28.6 | Very low | 37.4 | Very low | 174 Ų | 174 | 142.2 Ų | 142.2 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | trans | -156.2 | 145.1 | 148.8 | -128.6 | 160.4 | 71.5 | 0 | 0 | 113.3 | ||||
| 227 | T | 31.1 | Very low | 37.8 | Very low | 132 Ų | 132 | 139.1 Ų | 139.1 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 145.1 | -174.7 | -25.9 | 0 | 0 | 0 | 0 | 111.9 | ||
| 228 | S | 32.9 | Very low | 37.9 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 133.9 | 168.8 | -162.7 | 0 | 0 | 0 | 0 | 110.4 | ||
| 229 | P | 42 | Very low | 39 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 69% | 0.688 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 143.6 | 179.3 | 31.8 | -34.4 | 0 | 0 | 0 | 112.2 | ||
| 230 | V | 37.6 | Very low | 39.7 | Very low | 139 Ų | 139 | 132.5 Ų | 132.5 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 136.9 | 166.1 | 174.6 | 0 | 0 | 0 | 0 | 108.9 | L232 | V230-L232 PolarHBondContact O-N 3.13Š|
| 231 | F | 36.3 | Very low | 40.8 | Very low | 199 Ų | 199 | 130 Ų | 130 | 87% | 0.873 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 121.2 | 174.9 | -81.5 | -103.7 | 0 | 0 | 0 | 110.9 | ||
| 232 | L | 40.5 | Very low | 42.2 | Very low | 160 Ų | 160 | 130.2 Ų | 130.2 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 143 | 163.2 | -72.2 | 167.1 | 0 | 0 | 0 | 109.8 | V230 G234 | V230-L232 PolarHBondContact O-N 3.13Å; L232-G234 PolarHBondContact O-N 3.13Å |
| 233 | P | 46.8 | Very low | 43.2 | Very low | 123 Ų | 123 | 127 Ų | 127 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -59 | 126 | 161.8 | -19.5 | 32.4 | 0 | 0 | 0 | 109.4 | ||
| 234 | G | 42.2 | Very low | 44 | Very low | 62 Ų | 62 | 126.1 Ų | 126.1 | 64% | 0.639 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 158.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L232 | L232-G234 PolarHBondContact O-N 3.13Š|
| 235 | P | 49.3 | Very low | 45.3 | Very low | 119 Ų | 119 | 123.2 Ų | 123.2 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 153.2 | 171.8 | 27.5 | -35.1 | 0 | 0 | 0 | 110.6 | G237 | P235-G237 PolarHBondContact O-N 3.12Š|
| 236 | P | 52.4 | Low | 45.8 | Very low | 132 Ų | 132 | 118.2 Ų | 118.2 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 128 | 176.1 | -26.7 | 35 | 0 | 0 | 0 | 111.1 | S238 | P236-S238 PolarHBondContact O-N 2.86Š|
| 237 | G | 44.6 | Very low | 47.1 | Very low | 71 Ų | 71 | 116.2 Ų | 116.2 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 140.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | P235 | P235-G237 PolarHBondContact O-N 3.12Š|
| 238 | S | 47.6 | Very low | 48.6 | Very low | 105 Ų | 105 | 116.8 Ų | 116.8 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 146.4 | 169.6 | 53 | 0 | 0 | 0 | 0 | 110.2 | P236 G240 | P236-S238 PolarHBondContact O-N 2.86Å; S238-G240 PolarHBondContact O-N 3.06Å |
| 239 | P | 56.5 | Low | 49.6 | Very low | 123 Ų | 123 | 114 Ų | 114 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | trans | -45.5 | 132.2 | 174.6 | -28.8 | 35.3 | 0 | 0 | 0 | 111.1 | ||||
| 240 | G | 47 | Very low | 50.4 | Low | 62 Ų | 62 | 114.8 Ų | 114.8 | 64% | 0.639 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 147.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | S238 | S238-G240 PolarHBondContact O-N 3.06Š|
| 241 | P | 50.2 | Low | 51.6 | Low | 117 Ų | 117 | 114.2 Ų | 114.2 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 145.7 | 175.7 | 25.3 | -34.2 | 0 | 0 | 0 | 109.6 | G243 | P241-G243 PolarHBondContact O-N 3.18Š|
| 242 | P | 59.9 | Low | 52.5 | Low | 127 Ų | 127 | 108.2 Ų | 108.2 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 127.7 | 176.1 | -26.8 | 34.8 | 0 | 0 | 0 | 110.2 | ||
| 243 | G | 52.4 | Low | 53.2 | Low | 70 Ų | 70 | 109 Ų | 109 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 145.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | P241 T245 | P241-G243 PolarHBondContact O-N 3.18Å; G243-T245 PolarHBondContact O-N 3.35Å |
| 244 | D | 49.9 | Very low | 53.7 | Low | 164 Ų | 164 | 107.9 Ų | 107.9 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 136.9 | -173 | -72.4 | -55.3 | 0 | 0 | 0 | 112.1 | G246 | D244-G246 PolarHBondContact O-N 3.42Å; D244-G246 VanDerWaalsContact O-N 3.08Å |
| 245 | T | 60.2 | Low | 54.3 | Low | 138 Ų | 138 | 108 Ų | 108 | 85% | 0.847 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 120 | -180 | -61.4 | 0 | 0 | 0 | 0 | 108.8 | G243 | G243-T245 PolarHBondContact O-N 3.35Š|
| 246 | G | 54.6 | Low | 54.6 | Low | 51 Ų | 51 | 108.1 Ų | 108.1 | 53% | 0.526 | 77% | 0.769 | S | S | . | * | P | Polyproline II helix | trans | -51.4 | 150 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D244 V248 | D244-G246 PolarHBondContact O-N 3.42Å; D244-G246 VanDerWaalsContact O-N 3.08Å; G246-V248 PolarHBondContact O-N 2.95Å |
| 247 | P | 56 | Low | 55 | Low | 132 Ų | 132 | 108 Ų | 108 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 131.3 | -169.7 | 21.8 | -33.8 | 0 | 0 | 0 | 111.3 | G249 | P247-G249 PolarHBondContact O-N 2.78Å; P247-G249 VanDerWaalsContact O-N 3.14Å |
| 248 | V | 62.4 | Low | 55.5 | Low | 144 Ų | 144 | 107.6 Ų | 107.6 | 87% | 0.873 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 121.2 | 179.4 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | G246 | G246-V248 PolarHBondContact O-N 2.95Š|
| 249 | G | 54 | Low | 55.9 | Low | 50 Ų | 50 | 108.4 Ų | 108.4 | 52% | 0.515 | 77% | 0.767 | S | S | . | * | P | Polyproline II helix | trans | -56.5 | 150.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | P247 | P247-G249 PolarHBondContact O-N 2.78Å; P247-G249 VanDerWaalsContact O-N 3.14Å |
| 250 | P | 57.4 | Low | 56.1 | Low | 122 Ų | 122 | 108.8 Ų | 108.8 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 141.1 | -178.1 | 24.3 | -34.2 | 0 | 0 | 0 | 110.7 | G252 | P250-G252 PolarHBondContact O-N 3.06Š|
| 251 | P | 62.5 | Low | 56.5 | Low | 128 Ų | 128 | 108.9 Ų | 108.9 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 131.9 | 178.3 | -27.6 | 35.2 | 0 | 0 | 0 | 111.8 | ||
| 252 | G | 56.3 | Low | 56.7 | Low | 73 Ų | 73 | 109.7 Ų | 109.7 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 143.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P250 A254 | P250-G252 PolarHBondContact O-N 3.06Å; G252-A254 PolarHBondContact O-N 3.35Å |
| 253 | L | 54.1 | Low | 56.6 | Low | 175 Ų | 175 | 115.1 Ų | 115.1 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 132.9 | 179.2 | -67.9 | 172.1 | 0 | 0 | 0 | 110.6 | G255 | L253-G255 PolarHBondContact O-N 3.5Š|
| 254 | A | 57.2 | Low | 56.8 | Low | 101 Ų | 101 | 115 Ų | 115 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 130.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | G252 | G252-A254 PolarHBondContact O-N 3.35Š|
| 255 | G | 54.8 | Low | 56.9 | Low | 64 Ų | 64 | 115.7 Ų | 115.7 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 149.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L253 | L253-G255 PolarHBondContact O-N 3.5Š|
| 256 | P | 56.1 | Low | 56.6 | Low | 122 Ų | 122 | 116.9 Ų | 116.9 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 146.3 | 178.6 | 26.3 | -34.6 | 0 | 0 | 0 | 111 | G258 | P256-G258 PolarHBondContact O-N 3.42Š|
| 257 | P | 60.5 | Low | 56.6 | Low | 129 Ų | 129 | 116.9 Ų | 116.9 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -54 | 137 | 176.7 | -26.7 | 35.1 | 0 | 0 | 0 | 112.3 | ||
| 258 | G | 55.3 | Low | 56.6 | Low | 63 Ų | 63 | 117 Ų | 117 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 148.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | P256 | P256-G258 PolarHBondContact O-N 3.42Š|
| 259 | P | 55.9 | Low | 56.4 | Low | 122 Ų | 122 | 117.5 Ų | 117.5 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 145 | -179.1 | 26.1 | -34.6 | 0 | 0 | 0 | 111.2 | G261 | P259-G261 PolarHBondContact O-N 3.19Š|
| 260 | P | 61.7 | Low | 56.3 | Low | 131 Ų | 131 | 117.7 Ų | 117.7 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 133 | 176.2 | -26.4 | 34.9 | 0 | 0 | 0 | 112 | ||
| 261 | G | 54.4 | Low | 56.3 | Low | 64 Ų | 64 | 118.1 Ų | 118.1 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 150.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P259 R263 | P259-G261 PolarHBondContact O-N 3.19Å; G261-R263 PolarHBondContact O-N 3.25Å |
| 262 | P | 54.4 | Low | 56 | Low | 134 Ų | 134 | 118.8 Ų | 118.8 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 130.8 | -177 | 25 | -34.2 | 0 | 0 | 0 | 111.1 | G264 | P262-G264 PolarHBondContact O-N 2.95Š|
| 263 | R | 59.4 | Low | 55.7 | Low | 241 Ų | 241 | 120.5 Ų | 120.5 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 120.9 | 178.9 | -175.7 | 172.9 | 178.8 | 166.6 | -3.8 | 109.5 | G261 | G261-R263 PolarHBondContact O-N 3.25Š|
| 264 | G | 54.9 | Low | 55.3 | Low | 68 Ų | 68 | 119.6 Ų | 119.6 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 141.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | P262 | P262-G264 PolarHBondContact O-N 2.95Š|
| 265 | L | 53.4 | Low | 55.3 | Low | 177 Ų | 177 | 121.6 Ų | 121.6 | 93% | 0.927 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 137.4 | -176.5 | -63.5 | 175.6 | 0 | 0 | 0 | 111.2 | ||
| 266 | M | 52.5 | Low | 55.1 | Low | 164 Ų | 164 | 127.9 Ų | 127.9 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 130.5 | 175.6 | -170.7 | 167.9 | 69 | 0 | 0 | 109.5 | ||
| 267 | G | 55.5 | Low | 54.9 | Low | 51 Ų | 51 | 130 Ų | 130 | 53% | 0.526 | 78% | 0.781 | S | S | . | * | P | Polyproline II helix | trans | -61.6 | 158.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 268 | P | 56.6 | Low | 54.4 | Low | 135 Ų | 135 | 130.8 Ų | 130.8 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 141.1 | -177.7 | 25.4 | -34.5 | 0 | 0 | 0 | 111.8 | G270 | P268-G270 PolarHBondContact O-N 3.36Š|
| 269 | I | 57.6 | Low | 53.9 | Low | 153 Ų | 153 | 136.7 Ų | 136.7 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 120.6 | 179.3 | -62.6 | 173.3 | 0 | 0 | 0 | 108.6 | ||
| 270 | G | 50.8 | Low | 53.7 | Low | 55 Ų | 55 | 142.9 Ų | 142.9 | 57% | 0.567 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 157.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P268 | P268-G270 PolarHBondContact O-N 3.36Š|
| 271 | P | 59 | Low | 53.4 | Low | 131 Ų | 131 | 139.4 Ų | 139.4 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 153.3 | -179.3 | 25.5 | -34.3 | 0 | 0 | 0 | 112.6 | ||
| 272 | T | 56.2 | Low | 53.5 | Low | 141 Ų | 141 | 142.7 Ų | 142.7 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 130.6 | -174.1 | 38.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 273 | P | 49.4 | Very low | 53.6 | Low | 109 Ų | 109 | 147.2 Ų | 147.2 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 150.8 | -178.7 | 34.7 | -35.5 | 0 | 0 | 0 | 112.5 | ||
| 274 | D | 46.3 | Very low | 53.3 | Low | 157 Ų | 157 | 138.2 Ų | 138.2 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 146.2 | 161.7 | -164.2 | 1.2 | 0 | 0 | 0 | 110.1 | F276 | D274-F276 PolarHBondContact O-N 3.03Š|
| 275 | L | 56.6 | Low | 53.2 | Low | 143 Ų | 143 | 141.1 Ų | 141.1 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -90.2 | 90.8 | -174.8 | -86.9 | 77.8 | 0 | 0 | 0 | 111.1 | ||
| 276 | F | 50.8 | Low | 53.4 | Low | 195 Ų | 195 | 140 Ų | 140 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | S | Bend | -173.6 | 136.9 | 127.7 | -97.1 | -67.2 | 0 | 0 | 0 | 109.9 | D274 | D274-F276 PolarHBondContact O-N 3.03Š| |
| 277 | H | 51.2 | Low | 53.5 | Low | 167 Ų | 167 | 135 Ų | 135 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 84.5 | 108.6 | -175.2 | -51.7 | 87.9 | 0 | 0 | 0 | 117.6 | ||
| 278 | I | 51 | Low | 53.4 | Low | 146 Ų | 146 | 138.4 Ų | 138.4 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | 70.7 | 133.6 | 141.7 | -61.5 | 169.3 | 0 | 0 | 0 | 117.1 | ||||
| 279 | K | 43.7 | Very low | 53.5 | Low | 187 Ų | 187 | 137.9 Ų | 137.9 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | cis | -154.4 | 152.7 | -19.2 | -106.8 | 176.3 | -170.1 | 175.8 | 0 | 105.8 | G281 | K279-G281 PolarHBondContact O-N 3.42Å; K279-G281 VanDerWaalsContact O-N 3.13Å | ||
| 280 | R | 52.5 | Low | 53.3 | Low | 252 Ų | 252 | 134.1 Ų | 134.1 | 95% | 0.951 | 77% | 0.771 | S | S | * | * | trans | -66 | 115.1 | 172 | -168.1 | 177.7 | -170.2 | 174.5 | 4.8 | 109.2 | ||||
| 281 | G | 55.9 | Low | 53.4 | Low | 57 Ų | 57 | 135.8 Ų | 135.8 | 59% | 0.588 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 154.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K279 R283 | K279-G281 PolarHBondContact O-N 3.42Å; K279-G281 VanDerWaalsContact O-N 3.13Å; G281-R283 PolarHBondContact O-N 3.03Å |
| 282 | P | 55.2 | Low | 53.5 | Low | 133 Ų | 133 | 135.5 Ų | 135.5 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -60 | 139 | 178.5 | 26.1 | -34 | 0 | 0 | 0 | 110.5 | G284 | P282-G284 PolarHBondContact O-N 2.03Š|
| 283 | R | 56.7 | Low | 53.6 | Low | 229 Ų | 229 | 132.1 Ų | 132.1 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 126.7 | 171.2 | -177.3 | 175.5 | 179.5 | 165.1 | -1.6 | 107.9 | G281 | G281-R283 PolarHBondContact O-N 3.03Š|
| 284 | G | 53.8 | Low | 53.9 | Low | 52 Ų | 52 | 138.8 Ų | 138.8 | 54% | 0.536 | 78% | 0.782 | S | S | . | * | P | Polyproline II helix | trans | -53.5 | 151.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | P282 | P282-G284 PolarHBondContact O-N 2.03Š|
| 285 | P | 52 | Low | 54.3 | Low | 130 Ų | 130 | 138.9 Ų | 138.9 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 144.3 | -175.4 | 23.9 | -34.3 | 0 | 0 | 0 | 110.9 | ||
| 286 | L | 58.8 | Low | 54.3 | Low | 152 Ų | 152 | 135.4 Ų | 135.4 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 140.6 | 166.7 | -71.2 | 92.5 | 0 | 0 | 0 | 108.1 | ||
| 287 | G | 53.4 | Low | 54.4 | Low | 61 Ų | 61 | 134.5 Ų | 134.5 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 153.3 | 173 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 288 | P | 53.7 | Low | 54.6 | Low | 121 Ų | 121 | 136.3 Ų | 136.3 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 149.8 | 176.7 | 25.8 | -34.7 | 0 | 0 | 0 | 110.4 | G290 | P288-G290 PolarHBondContact O-N 3.25Š|
| 289 | P | 58.4 | Low | 54.9 | Low | 125 Ų | 125 | 132.4 Ų | 132.4 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 142.5 | 172.3 | -26.3 | 35 | 0 | 0 | 0 | 111.1 | A291 | P289-A291 PolarHBondContact O-N 2.91Š|
| 290 | G | 54.8 | Low | 55.5 | Low | 73 Ų | 73 | 132.7 Ų | 132.7 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 139.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | P288 | P288-G290 PolarHBondContact O-N 3.25Š|
| 291 | A | 52.5 | Low | 55.8 | Low | 91 Ų | 91 | 131.7 Ų | 131.7 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 141.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | P289 G293 | P289-A291 PolarHBondContact O-N 2.91Å; A291-G293 PolarHBondContact O-N 3.12Å |
| 292 | P | 61.4 | Low | 55.7 | Low | 125 Ų | 125 | 131.9 Ų | 131.9 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 140.4 | 174.8 | -28.1 | 35.5 | 0 | 0 | 0 | 111.5 | R294 | P292-R294 PolarHBondContact O-N 3.16Š|
| 293 | G | 57.2 | Low | 55.7 | Low | 70 Ų | 70 | 129.9 Ų | 129.9 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 139.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | A291 D295 | A291-G293 PolarHBondContact O-N 3.12Å; G293-D295 PolarHBondContact O-N 2.94Å |
| 294 | R | 56 | Low | 56.3 | Low | 249 Ų | 249 | 124.7 Ų | 124.7 | 94% | 0.94 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -59 | 133.7 | 175.6 | -69.3 | -177.8 | 174.7 | -172.5 | -2.7 | 109 | P292 G296 | P292-R294 PolarHBondContact O-N 3.16Å; R294-G296 PolarHBondContact O-N 3.08Å |
| 295 | D | 55.6 | Low | 56.5 | Low | 158 Ų | 158 | 125.1 Ų | 125.1 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -52 | 137.2 | 172.1 | -63.2 | -65.4 | 0 | 0 | 0 | 110.1 | G293 L297 | G293-D295 PolarHBondContact O-N 2.94Å; D295-L297 PolarHBondContact O-N 2.74Å |
| 296 | G | 55.4 | Low | 56.7 | Low | 71 Ų | 71 | 125.1 Ų | 125.1 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 140 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | R294 K298 | R294-G296 PolarHBondContact O-N 3.08Å; G296-K298 PolarHBondContact O-N 3.28Å |
| 297 | L | 54.3 | Low | 57.2 | Low | 176 Ų | 176 | 122.5 Ų | 122.5 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 120.5 | 177.3 | -69 | 175.2 | 0 | 0 | 0 | 109.1 | D295 G299 | D295-L297 PolarHBondContact O-N 2.74Å; L297-G299 PolarHBondContact O-N 3.07Å |
| 298 | K | 55 | Low | 57.3 | Low | 204 Ų | 204 | 122.4 Ų | 122.4 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 116.7 | 176.4 | 177.9 | 173.1 | -179.4 | 172 | 0 | 108 | G296 E300 | G296-K298 PolarHBondContact O-N 3.28Å; K298-E300 PolarHBondContact O-N 3.08Å |
| 299 | G | 56.5 | Low | 57.3 | Low | 64 Ų | 64 | 122.4 Ų | 122.4 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 139.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L297 R301 | L297-G299 PolarHBondContact O-N 3.07Å; G299-R301 PolarHBondContact O-N 3.09Å |
| 300 | E | 57.1 | Low | 57.7 | Low | 193 Ų | 193 | 122.4 Ų | 122.4 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 138.6 | -175.9 | -62.8 | -169.9 | 138.5 | 0 | 0 | 110.3 | K298 G302 | K298-E300 PolarHBondContact O-N 3.08Å; E300-G302 PolarHBondContact O-N 3.14Å; E300-G302 VanDerWaalsContact O-N 3.08Å |
| 301 | R | 57.8 | Low | 57.7 | Low | 232 Ų | 232 | 121.9 Ų | 121.9 | 88% | 0.875 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 118.8 | 172.7 | -176.7 | -169.8 | -63 | -171.6 | 0.6 | 106.5 | G299 A303 | G299-R301 PolarHBondContact O-N 3.09Å; R301-A303 PolarHBondContact O-N 2.75Å |
| 302 | G | 55.3 | Low | 57.7 | Low | 61 Ų | 61 | 123.3 Ų | 123.3 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 136.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | E300 | E300-G302 PolarHBondContact O-N 3.14Å; E300-G302 VanDerWaalsContact O-N 3.08Å |
| 303 | A | 54.9 | Low | 57.4 | Low | 91 Ų | 91 | 123.6 Ų | 123.6 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 137.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | R301 G305 | R301-A303 PolarHBondContact O-N 2.75Å; A303-G305 PolarHBondContact O-N 3.22Å |
| 304 | P | 68.9 | Low | 57.3 | Low | 119 Ų | 119 | 123 Ų | 123 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 135.6 | 173.1 | -25.9 | 34.6 | 0 | 0 | 0 | 109.8 | ||
| 305 | G | 56.6 | Low | 57.5 | Low | 61 Ų | 61 | 115.5 Ų | 115.5 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 147.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | A303 A307 | A303-G305 PolarHBondContact O-N 3.22Å; G305-A307 PolarHBondContact O-N 3.34Å |
| 306 | P | 58.2 | Low | 57.3 | Low | 131 Ų | 131 | 114.9 Ų | 114.9 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 131.8 | -179.1 | 23.5 | -33.8 | 0 | 0 | 0 | 109.1 | G308 | P306-G308 PolarHBondContact O-N 3.19Š|
| 307 | A | 67.6 | Low | 57.3 | Low | 97 Ų | 97 | 117.6 Ų | 117.6 | 80% | 0.802 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 136.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | G305 | G305-A307 PolarHBondContact O-N 3.34Š|
| 308 | G | 55.8 | Low | 57.5 | Low | 58 Ų | 58 | 114.1 Ų | 114.1 | 60% | 0.598 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 151.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | P306 | P306-G308 PolarHBondContact O-N 3.19Š|
| 309 | P | 53.3 | Low | 58 | Low | 121 Ų | 121 | 107.8 Ų | 107.8 | 79% | 0.786 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 139.2 | 177.6 | 23.7 | -34.1 | 0 | 0 | 0 | 109.2 | G311 | P309-G311 PolarHBondContact O-N 3.23Š|
| 310 | P | 67.3 | Low | 58.5 | Low | 126 Ų | 126 | 109.3 Ų | 109.3 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -49 | 132.6 | 178.9 | -28.1 | 34.8 | 0 | 0 | 0 | 110.4 | ||
| 311 | G | 54.3 | Low | 58.8 | Low | 61 Ų | 61 | 105.9 Ų | 105.9 | 63% | 0.629 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 146.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | P309 | P309-G311 PolarHBondContact O-N 3.23Š|
| 312 | P | 52.7 | Low | 59.5 | Low | 121 Ų | 121 | 97.9 Ų | 97.9 | 79% | 0.786 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -51.3 | 138.7 | -178.5 | 23.4 | -34.3 | 0 | 0 | 0 | 109.4 | G314 | P312-G314 PolarHBondContact O-N 2.81Š|
| 313 | P | 56.2 | Low | 60.4 | Low | 132 Ų | 132 | 99.8 Ų | 99.8 | 86% | 0.857 | 65% | 0.649 | S | S | * | * | trans | -53.7 | 112.5 | -166.4 | 19.5 | -32.3 | 0 | 0 | 0 | 110.5 | ||||
| 314 | G | 55.3 | Low | 60.9 | Low | 58 Ų | 58 | 97 Ų | 97 | 60% | 0.598 | 63% | 0.626 | S | S | * | * | trans | -60.6 | 168.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | P312 F316 | P312-G314 PolarHBondContact O-N 2.81Å; G314-F316 PolarHBondContact O-N 3.01Å | ||
| 315 | S | 59.5 | Low | 61 | Low | 91 Ų | 91 | 96.4 Ų | 96.4 | 64% | 0.636 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 34.5 | -172.9 | 59.6 | 0 | 0 | 0 | 0 | 115.2 | D317 F318 L319 | S315-D317 VanDerWaalsContact C-N 3.34Å; S315-F318 CarbonylContact O-C 3.51Å; S315-F318 WeakPolarHBondContact O-CB 3.37Å; S315-F318 PolarHBondContact O-N 2.87Å; S315-L319 PolarHBondContact O-N 3.38Å |
| 316 | F | 50.5 | Low | 62 | Low | 144 Ų | 144 | 97.1 Ų | 97.1 | 63% | 0.632 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -69.2 | -33.6 | 175 | -146.2 | -87.4 | 0 | 0 | 0 | 111.6 | G314 F318 L319 L320 | G314-F316 PolarHBondContact O-N 3.01Å; F316-F318 VanDerWaalsContact C-N 3.32Å; F316-L319 HydrophobicContact CD2-CD2 4.47Å; F316-L319 HydrophobicContact CE2-CD2 4.22Å; F316-L319 HydrophobicContact CZ-CD2 4.41Å; F316-L319 WeakPolarHBondContact O-CB 3.48Å; F316-L319 PolarHBondContact O-N 2.83Å; F316-L320 HydrophobicContact CD1-CD1 4.33Å; F316-L320 HydrophobicContact CD1-CG 4.48Å; F316-L320 WeakPolarHBondContact O-CG 3.47Å; F316-L320 PolarHBondContact O-N 2.64Å |
| 317 | D | 57.1 | Low | 62.7 | Low | 128 Ų | 128 | 98.4 Ų | 98.4 | 68% | 0.684 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65 | -38.7 | 171.3 | -135.6 | 41 | 0 | 0 | 0 | 110.9 | S315 L320 L321 | S315-D317 VanDerWaalsContact C-N 3.34Å; D317-L320 WeakPolarHBondContact O-CB 3.29Å; D317-L320 PolarHBondContact O-N 3.21Å; D317-L321 WeakPolarHBondContact O-CB 3.43Å; D317-L321 PolarHBondContact O-N 2.79Å |
| 318 | F | 58.2 | Low | 63 | Low | 103 Ų | 103 | 98.7 Ų | 98.7 | 45% | 0.452 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.9 | -33.9 | 170 | 169.7 | -92.5 | 0 | 0 | 0 | 112.7 | S315 F316 L320 L321 L322 | S315-F318 CarbonylContact O-C 3.51Å; S315-F318 WeakPolarHBondContact O-CB 3.37Å; S315-F318 PolarHBondContact O-N 2.87Å; F316-F318 VanDerWaalsContact C-N 3.32Å; F318-L320 VanDerWaalsContact C-N 3.34Å; F318-L321 PolarHBondContact O-N 2.86Å; F318-L322 HydrophobicContact CE1-CD2 4.21Å; F318-L322 WeakPolarHBondContact O-CB 3.42Å; F318-L322 PolarHBondContact O-N 2.8Å |
| 319 | L | 64.6 | Low | 64.1 | Low | 72 Ų | 72 | 100.7 Ų | 100.7 | 38% | 0.377 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.1 | -40.2 | 171.1 | 179.7 | 62.1 | 0 | 0 | 0 | 111 | S315 F316 M323 | S315-L319 PolarHBondContact O-N 3.38Å; F316-L319 HydrophobicContact CD2-CD2 4.47Å; F316-L319 HydrophobicContact CE2-CD2 4.22Å; F316-L319 HydrophobicContact CZ-CD2 4.41Å; F316-L319 WeakPolarHBondContact O-CB 3.48Å; F316-L319 PolarHBondContact O-N 2.83Å; L319-M323 HydrophobicContact CD1-CE 4.08Å; L319-M323 HydrophobicContact CD1-CG 4.29Å; L319-M323 HydrophobicContact CG-CG 4.5Å; L319-M323 WeakPolarHBondContact O-CB 3.37Å; L319-M323 WeakPolarHBondContact O-CG 3.31Å; L319-M323 PolarHBondContact O-N 2.96Å |
| 320 | L | 67.6 | Low | 65.2 | Low | 95 Ų | 95 | 98.9 Ų | 98.9 | 50% | 0.497 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.4 | -40.3 | 174 | -72 | 167.1 | 0 | 0 | 0 | 112 | F316 D317 F318 M323 A324 | F316-L320 HydrophobicContact CD1-CD1 4.33Å; F316-L320 HydrophobicContact CD1-CG 4.48Å; F316-L320 WeakPolarHBondContact O-CG 3.47Å; F316-L320 PolarHBondContact O-N 2.64Å; D317-L320 WeakPolarHBondContact O-CB 3.29Å; D317-L320 PolarHBondContact O-N 3.21Å; F318-L320 VanDerWaalsContact C-N 3.34Å; L320-M323 PolarHBondContact O-N 3.06Å; L320-A324 WeakPolarHBondContact O-CB 3.49Å; L320-A324 PolarHBondContact O-N 2.04Å |
| 321 | L | 63.5 | Low | 65.3 | Low | 121 Ų | 121 | 95.4 Ų | 95.4 | 63% | 0.634 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.4 | -45.9 | 175.7 | -139.5 | 73.2 | 0 | 0 | 0 | 111.6 | D317 F318 A324 D325 | D317-L321 WeakPolarHBondContact O-CB 3.43Å; D317-L321 PolarHBondContact O-N 2.79Å; F318-L321 PolarHBondContact O-N 2.86Å; L321-A324 WeakPolarHBondContact O-CA 3.39Å; L321-A324 WeakPolarHBondContact O-CB 3.21Å; L321-A324 PolarHBondContact O-N 2.71Å; L321-D325 PolarHBondContact O-N 2.98Å |
| 322 | L | 72.9 | Confident | 66.2 | Low | 65 Ų | 65 | 96.6 Ų | 96.6 | 34% | 0.34 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.2 | -39.8 | 175.5 | -177.6 | 64.7 | 0 | 0 | 0 | 111.3 | F318 A324 D325 I326 | F318-L322 HydrophobicContact CE1-CD2 4.21Å; F318-L322 WeakPolarHBondContact O-CB 3.42Å; F318-L322 PolarHBondContact O-N 2.8Å; L322-A324 VanDerWaalsContact C-N 3.27Å; L322-A324 PolarHBondContact O-N 2.92Å; L322-D325 PolarHBondContact O-N 2.87Å; L322-I326 HydrophobicContact CD1-CD1 4.01Å; L322-I326 HydrophobicContact CD1-CG1 4.31Å; L322-I326 HydrophobicContact CG-CD1 3.83Å; L322-I326 HydrophobicContact CG-CG1 4.49Å; L322-I326 VanDerWaalsContact O-CB 3.29Å; L322-I326 WeakPolarHBondContact O-CB 2.98Å; L322-I326 WeakPolarHBondContact O-CG1 3.19Å; L322-I326 PolarHBondContact O-N 3.42Å |
| 323 | M | 72.5 | Confident | 66.9 | Low | 100 Ų | 100 | 95.9 Ų | 95.9 | 49% | 0.493 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.3 | -26.4 | 171.6 | -74.1 | -81.8 | 173.8 | 0 | 0 | 112.4 | L319 L320 R327 | L319-M323 HydrophobicContact CD1-CE 4.08Å; L319-M323 HydrophobicContact CD1-CG 4.29Å; L319-M323 HydrophobicContact CG-CG 4.5Å; L319-M323 WeakPolarHBondContact O-CB 3.37Å; L319-M323 WeakPolarHBondContact O-CG 3.31Å; L319-M323 PolarHBondContact O-N 2.96Å; L320-M323 PolarHBondContact O-N 3.06Å; M323-R327 WeakPolarHBondContact O-CB 3.02Å; M323-R327 VanDerWaalsContact O-CG 3.29Å; M323-R327 WeakPolarHBondContact O-CG 3.4Å; M323-R327 PolarHBondContact O-N 2.94Å; M323-R327 PolarHBondContact O-NE 3.14Å |
| 324 | A | 65.7 | Low | 67.4 | Low | 34 Ų | 34 | 94.8 Ų | 94.8 | 28% | 0.281 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -76.5 | -48.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L320 L321 L322 I326 R327 N328 | L320-A324 WeakPolarHBondContact O-CB 3.49Å; L320-A324 PolarHBondContact O-N 2.04Å; L321-A324 WeakPolarHBondContact O-CA 3.39Å; L321-A324 WeakPolarHBondContact O-CB 3.21Å; L321-A324 PolarHBondContact O-N 2.71Å; L322-A324 VanDerWaalsContact C-N 3.27Å; L322-A324 PolarHBondContact O-N 2.92Å; A324-I326 PolarHBondContact O-N 3.24Å; A324-R327 PolarHBondContact O-N 2.64Å; A324-N328 PolarHBondContact O-N 3.31Å; A324-N328 PolarHBondContact O-ND2 3.32Å |
| 325 | D | 72.1 | Confident | 68 | Low | 105 Ų | 105 | 94.6 Ų | 94.6 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.3 | -46.7 | 176.5 | -115 | 15.3 | 0 | 0 | 0 | 111.2 | L321 L322 R327 N328 D329 | L321-D325 PolarHBondContact O-N 2.98Å; L322-D325 PolarHBondContact O-N 2.87Å; D325-R327 VanDerWaalsContact C-N 3.32Å; D325-R327 PolarHBondContact O-N 3.11Å; D325-N328 PolarHBondContact O-N 2.87Å; D325-N328 VanDerWaalsContact O-N 3.16Å; D325-D329 WeakPolarHBondContact O-CB 3.48Å; D325-D329 PolarHBondContact O-N 3.35Å |
| 326 | I | 76.4 | Confident | 68.7 | Low | 77 Ų | 77 | 96.9 Ų | 96.9 | 40% | 0.395 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.4 | -37.9 | 176.4 | -70.6 | 170 | 0 | 0 | 0 | 111.8 | L322 A324 I330 | L322-I326 HydrophobicContact CD1-CD1 4.01Å; L322-I326 HydrophobicContact CD1-CG1 4.31Å; L322-I326 HydrophobicContact CG-CD1 3.83Å; L322-I326 HydrophobicContact CG-CG1 4.49Å; L322-I326 VanDerWaalsContact O-CB 3.29Å; L322-I326 WeakPolarHBondContact O-CB 2.98Å; L322-I326 WeakPolarHBondContact O-CG1 3.19Å; L322-I326 PolarHBondContact O-N 3.42Å; A324-I326 PolarHBondContact O-N 3.24Å; I326-I330 HydrophobicContact CG2-CD1 3.7Å; I326-I330 HydrophobicContact CG2-CG1 4.39Å; I326-I330 WeakPolarHBondContact O-CB 3.42Å; I326-I330 WeakPolarHBondContact O-CD1 3.43Å; I326-I330 WeakPolarHBondContact O-CG1 3.37Å; I326-I330 PolarHBondContact O-N 2.99Å |
| 327 | R | 73.4 | Confident | 69.5 | Low | 158 Ų | 158 | 95.1 Ų | 95.1 | 60% | 0.596 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.1 | -38.9 | 175.9 | -82.6 | 178.6 | -68.4 | 173.1 | 0.9 | 111.9 | M323 A324 D325 A331 | M323-R327 WeakPolarHBondContact O-CB 3.02Å; M323-R327 VanDerWaalsContact O-CG 3.29Å; M323-R327 WeakPolarHBondContact O-CG 3.4Å; M323-R327 PolarHBondContact O-N 2.94Å; M323-R327 PolarHBondContact O-NE 3.14Å; A324-R327 PolarHBondContact O-N 2.64Å; D325-R327 VanDerWaalsContact C-N 3.32Å; D325-R327 PolarHBondContact O-N 3.11Å; R327-A331 PolarHBondContact O-N 3.44Å |
| 328 | N | 74.7 | Confident | 69.9 | Low | 103 Ų | 103 | 97.8 Ų | 97.8 | 55% | 0.551 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.2 | -50.8 | 174.3 | -68.2 | -24.6 | 0 | 0 | 0 | 110.7 | A324 D325 I330 A331 D332 | A324-N328 PolarHBondContact O-N 3.31Å; A324-N328 PolarHBondContact O-ND2 3.32Å; D325-N328 PolarHBondContact O-N 2.87Å; D325-N328 VanDerWaalsContact O-N 3.16Å; N328-I330 VanDerWaalsContact C-N 3.3Å; N328-I330 PolarHBondContact O-N 3.32Å; N328-A331 PolarHBondContact O-N 3.37Å; N328-A331 VanDerWaalsContact O-N 3.11Å; N328-D332 WeakPolarHBondContact O-CB 3.47Å; N328-D332 PolarHBondContact O-N 3.39Å |
| 329 | D | 77.6 | Confident | 69.7 | Low | 100 Ų | 100 | 95.7 Ų | 95.7 | 54% | 0.535 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.8 | -39.7 | 176.9 | -88.8 | -9.7 | 0 | 0 | 0 | 112.1 | D325 D332 L333 | D325-D329 WeakPolarHBondContact O-CB 3.48Å; D325-D329 PolarHBondContact O-N 3.35Å; D329-D332 PolarHBondContact O-N 3.1Å; D329-L333 VanDerWaalsContact O-CB 3.3Å; D329-L333 WeakPolarHBondContact O-CB 3.07Å; D329-L333 WeakPolarHBondContact O-CD1 3.29Å; D329-L333 WeakPolarHBondContact O-CG 3.29Å; D329-L333 PolarHBondContact O-N 3.06Å |
| 330 | I | 76.9 | Confident | 69 | Low | 82 Ų | 82 | 102.6 Ų | 102.6 | 42% | 0.421 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 174.9 | -73.2 | 167.7 | 0 | 0 | 0 | 111.2 | I326 N328 D332 L333 Q334 | I326-I330 HydrophobicContact CG2-CD1 3.7Å; I326-I330 HydrophobicContact CG2-CG1 4.39Å; I326-I330 WeakPolarHBondContact O-CB 3.42Å; I326-I330 WeakPolarHBondContact O-CD1 3.43Å; I326-I330 WeakPolarHBondContact O-CG1 3.37Å; I326-I330 PolarHBondContact O-N 2.99Å; N328-I330 VanDerWaalsContact C-N 3.3Å; N328-I330 PolarHBondContact O-N 3.32Å; I330-D332 VanDerWaalsContact C-N 3.3Å; I330-D332 PolarHBondContact O-N 3.37Å; I330-L333 PolarHBondContact O-N 3.47Å; I330-Q334 HydrophobicContact CG2-CG 4.38Å; I330-Q334 WeakPolarHBondContact O-CB 3.07Å; I330-Q334 VanDerWaalsContact O-CG 3.24Å; I330-Q334 WeakPolarHBondContact O-CG 3.38Å; I330-Q334 PolarHBondContact O-N 3.05Å |
| 331 | A | 69.2 | Low | 67.9 | Low | 53 Ų | 53 | 103.5 Ų | 103.5 | 44% | 0.438 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.4 | -37.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | R327 N328 Q334 S335 | R327-A331 PolarHBondContact O-N 3.44Å; N328-A331 PolarHBondContact O-N 3.37Å; N328-A331 VanDerWaalsContact O-N 3.11Å; A331-Q334 PolarHBondContact O-N 3.45Å; A331-S335 WeakPolarHBondContact O-CB 3.44Å; A331-S335 PolarHBondContact O-N 3.08Å; A331-S335 PolarHBondContact O-OG 3.46Å |
| 332 | D | 73.4 | Confident | 66.6 | Low | 86 Ų | 86 | 107 Ų | 107 | 46% | 0.46 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -77.4 | -21.4 | -179.8 | -135 | 46.6 | 0 | 0 | 0 | 112.8 | N328 D329 I330 S335 K336 | N328-D332 WeakPolarHBondContact O-CB 3.47Å; N328-D332 PolarHBondContact O-N 3.39Å; D329-D332 PolarHBondContact O-N 3.1Å; I330-D332 VanDerWaalsContact C-N 3.3Å; I330-D332 PolarHBondContact O-N 3.37Å; D332-S335 PolarHBondContact O-OG 3.49Å; D332-K336 VanDerWaalsContact CG-NZ 3.25Å; D332-K336 WeakPolarHBondContact O-CD 3Å; D332-K336 WeakPolarHBondContact O-CE 3.35Å; D332-K336 WeakPolarHBondContact O-CG 3.33Å; D332-K336 PolarHBondContact O-NZ 3.44Å; D332-K336 IonicContact OD2-NZ 3.89Å; D332-K336 PolarHBondContact OD2-NZ 3.49Å |
| 333 | L | 68.3 | Low | 65 | Low | 107 Ų | 107 | 111.4 Ų | 111.4 | 56% | 0.56 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -82.1 | -41 | 168 | -75.2 | 166.3 | 0 | 0 | 0 | 111 | D329 I330 S335 K336 V337 | D329-L333 VanDerWaalsContact O-CB 3.3Å; D329-L333 WeakPolarHBondContact O-CB 3.07Å; D329-L333 WeakPolarHBondContact O-CD1 3.29Å; D329-L333 WeakPolarHBondContact O-CG 3.29Å; D329-L333 PolarHBondContact O-N 3.06Å; I330-L333 PolarHBondContact O-N 3.47Å; L333-S335 PolarHBondContact O-N 3.42Å; L333-K336 PolarHBondContact O-N 3.49Å; L333-V337 WeakPolarHBondContact O-CB 3.26Å; L333-V337 WeakPolarHBondContact O-CG2 3.44Å; L333-V337 PolarHBondContact O-N 3.34Å |
| 334 | Q | 66.6 | Low | 63.3 | Low | 109 Ų | 109 | 111 Ų | 111 | 51% | 0.509 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.8 | -41.9 | 174.7 | -75.9 | 173.3 | -10.9 | 0 | 0 | 111.6 | I330 A331 K336 V337 Y338 | I330-Q334 HydrophobicContact CG2-CG 4.38Å; I330-Q334 WeakPolarHBondContact O-CB 3.07Å; I330-Q334 VanDerWaalsContact O-CG 3.24Å; I330-Q334 WeakPolarHBondContact O-CG 3.38Å; I330-Q334 PolarHBondContact O-N 3.05Å; A331-Q334 PolarHBondContact O-N 3.45Å; Q334-K336 VanDerWaalsContact C-N 3.33Å; Q334-K336 PolarHBondContact O-N 3.45Å; Q334-V337 PolarHBondContact O-N 3.37Å; Q334-Y338 HydrophobicContact CB-CD2 4.26Å; Q334-Y338 HydrophobicContact CG-CD2 4.49Å; Q334-Y338 HydrophobicContact CG-CE2 4.44Å; Q334-Y338 WeakPolarHBondContact O-CB 3.03Å; Q334-Y338 WeakPolarHBondContact O-CD2 3.41Å; Q334-Y338 PolarHBondContact O-N 3.34Å |
| 335 | S | 66.9 | Low | 61.9 | Low | 54 Ų | 54 | 115.6 Ų | 115.6 | 38% | 0.378 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.7 | -36.9 | 175.9 | 69.6 | 0 | 0 | 0 | 0 | 112.5 | A331 D332 L333 G339 | A331-S335 WeakPolarHBondContact O-CB 3.44Å; A331-S335 PolarHBondContact O-N 3.08Å; A331-S335 PolarHBondContact O-OG 3.46Å; D332-S335 PolarHBondContact O-OG 3.49Å; L333-S335 PolarHBondContact O-N 3.42Å; S335-G339 WeakPolarHBondContact O-CA 3.32Å; S335-G339 PolarHBondContact O-N 3.38Å |
| 336 | K | 73.8 | Confident | 60.2 | Low | 139 Ų | 139 | 119 Ų | 119 | 60% | 0.604 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -74.8 | -28.5 | 177 | -68.6 | 173.1 | -163.3 | 111.8 | 0 | 113.8 | D332 L333 Q334 | D332-K336 VanDerWaalsContact CG-NZ 3.25Å; D332-K336 WeakPolarHBondContact O-CD 3Å; D332-K336 WeakPolarHBondContact O-CE 3.35Å; D332-K336 WeakPolarHBondContact O-CG 3.33Å; D332-K336 PolarHBondContact O-NZ 3.44Å; D332-K336 IonicContact OD2-NZ 3.89Å; D332-K336 PolarHBondContact OD2-NZ 3.49Å; L333-K336 PolarHBondContact O-N 3.49Å; Q334-K336 VanDerWaalsContact C-N 3.33Å; Q334-K336 PolarHBondContact O-N 3.45Å |
| 337 | V | 67.9 | Low | 58.5 | Low | 106 Ų | 106 | 124.2 Ų | 124.2 | 64% | 0.642 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -87.5 | -39.3 | 178.3 | 171.6 | 0 | 0 | 0 | 0 | 112.4 | L333 Q334 | L333-V337 WeakPolarHBondContact O-CB 3.26Å; L333-V337 WeakPolarHBondContact O-CG2 3.44Å; L333-V337 PolarHBondContact O-N 3.34Å; Q334-V337 PolarHBondContact O-N 3.37Å |
| 338 | Y | 65.9 | Low | 56.6 | Low | 184 Ų | 184 | 124.5 Ų | 124.5 | 72% | 0.722 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -102.2 | -7.5 | -175.5 | -60.8 | -70.3 | 0 | 0 | 0 | 114.3 | Q334 R340 | Q334-Y338 HydrophobicContact CB-CD2 4.26Å; Q334-Y338 HydrophobicContact CG-CD2 4.49Å; Q334-Y338 HydrophobicContact CG-CE2 4.44Å; Q334-Y338 WeakPolarHBondContact O-CB 3.03Å; Q334-Y338 WeakPolarHBondContact O-CD2 3.41Å; Q334-Y338 PolarHBondContact O-N 3.34Å; Y338-R340 VanDerWaalsContact C-N 3.33Å; Y338-R340 PolarHBondContact O-N 3.27Å; Y338-R340 VanDerWaalsContact O-N 3.12Å |
| 339 | G | 54 | Low | 54.5 | Low | 59 Ų | 59 | 127.1 Ų | 127.1 | 61% | 0.608 | 67% | 0.667 | S | S | * | * | trans | 75.7 | -1.4 | 156.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | S335 | S335-G339 WeakPolarHBondContact O-CA 3.32Å; S335-G339 PolarHBondContact O-N 3.38Å | ||
| 340 | R | 49.1 | Very low | 52.4 | Low | 217 Ų | 217 | 127.9 Ų | 127.9 | 82% | 0.819 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -144 | 149.2 | 170.4 | -71.4 | -165.1 | 178.3 | -147.7 | -0.7 | 112.8 | Y338 | Y338-R340 VanDerWaalsContact C-N 3.33Å; Y338-R340 PolarHBondContact O-N 3.27Å; Y338-R340 VanDerWaalsContact O-N 3.12Å |
| 341 | P | 44.9 | Very low | 50.3 | Low | 115 Ų | 115 | 132.4 Ų | 132.4 | 75% | 0.747 | 70% | 0.701 | S | S | * | * | trans | -68.9 | 143.3 | 165.9 | -11.8 | 27.6 | 0 | 0 | 0 | 111 | H343 | P341-H343 PolarHBondContact O-N 3.13Å; P341-H343 VanDerWaalsContact O-N 3.16Å | ||
| 342 | M | 36.8 | Very low | 48.7 | Very low | 194 Ų | 194 | 134.1 Ų | 134.1 | 96% | 0.956 | 72% | 0.715 | S | S | * | * | trans | -74.3 | 98 | 162 | -100.3 | -68.8 | -172.4 | 0 | 0 | 108.9 | ||||
| 343 | H | 39.3 | Very low | 46.9 | Very low | 158 Ų | 158 | 136 Ų | 136 | 73% | 0.731 | 73% | 0.732 | S | S | * | * | trans | -95.6 | 140.1 | 164.1 | -132.6 | -62 | 0 | 0 | 0 | 109.5 | P341 | P341-H343 PolarHBondContact O-N 3.13Å; P341-H343 VanDerWaalsContact O-N 3.16Å | ||
| 344 | S | 35.8 | Very low | 45.1 | Very low | 91 Ų | 91 | 139 Ų | 139 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | trans | -34 | 120.3 | 169.7 | 49.2 | 0 | 0 | 0 | 0 | 115.1 | E346 | S344-E346 PolarHBondContact O-N 3.3Š| ||
| 345 | P | 37.3 | Very low | 43.5 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 84% | 0.844 | 76% | 0.756 | S | S | * | * | trans | -84 | 99.5 | 160.6 | 32.5 | -28.7 | 0 | 0 | 0 | 109.4 | ||||
| 346 | E | 36.9 | Very low | 41.8 | Very low | 178 Ų | 178 | 147 Ų | 147 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -102 | 134.7 | 158.1 | -151.4 | 168.9 | -178.2 | 0 | 0 | 106.6 | S344 | S344-E346 PolarHBondContact O-N 3.3Š| ||
| 347 | E | 39.4 | Very low | 39.8 | Very low | 186 Ų | 186 | 151.2 Ų | 151.2 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 56.5 | 86.4 | 178.5 | -51.7 | -157.5 | 124.3 | 0 | 0 | 118 | ||
| 348 | D | 32.9 | Very low | 38 | Very low | 163 Ų | 163 | 153.1 Ų | 153.1 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | -171 | 113.9 | 118.1 | -110.5 | -24.5 | 0 | 0 | 0 | 110.8 | |||||
| 349 | I | 31.5 | Very low | 36.3 | Very low | 159 Ų | 159 | 151.1 Ų | 151.1 | 82% | 0.815 | 81% | 0.806 | S | S | * | * | trans | -124.5 | 112.2 | -179.4 | -58.8 | 177.5 | 0 | 0 | 0 | 109.9 | ||||
| 350 | P | 34.3 | Very low | 35.4 | Very low | 116 Ų | 116 | 152.7 Ų | 152.7 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 132.9 | 167.3 | -19.4 | 32.8 | 0 | 0 | 0 | 111 | A352 | P350-A352 PolarHBondContact O-N 3.29Š|
| 351 | L | 31.3 | Very low | 34.5 | Very low | 176 Ų | 176 | 149.8 Ų | 149.8 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 126.7 | -179.8 | -72 | 159.7 | 0 | 0 | 0 | 112.3 | ||
| 352 | A | 35.8 | Very low | 33.8 | Very low | 89 Ų | 89 | 149.4 Ų | 149.4 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 148.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | P350 | P350-A352 PolarHBondContact O-N 3.29Š|
| 353 | P | 35.4 | Very low | 33.7 | Very low | 125 Ų | 125 | 147.5 Ų | 147.5 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 151.5 | -172.2 | -16.7 | 32.3 | 0 | 0 | 0 | 114.8 | S355 | P353-S355 PolarHBondContact O-N 3.39Å; P353-S355 VanDerWaalsContact O-N 3.1Å |
| 354 | D | 32.1 | Very low | 33.1 | Very low | 172 Ų | 172 | 146.8 Ų | 146.8 | 92% | 0.92 | 81% | 0.809 | S | S | * | * | trans | -63 | 103.5 | 178.7 | -71.1 | -76.2 | 0 | 0 | 0 | 114.3 | ||||
| 355 | S | 32.4 | Very low | 32.9 | Very low | 94 Ų | 94 | 147 Ų | 147 | 66% | 0.657 | 82% | 0.816 | S | S | * | * | trans | -167.5 | 144.4 | 139.2 | 60.8 | 0 | 0 | 0 | 0 | 108.2 | P353 | P353-S355 PolarHBondContact O-N 3.39Å; P353-S355 VanDerWaalsContact O-N 3.1Å | ||
| 356 | W | 30.6 | Very low | 32.4 | Very low | 236 Ų | 236 | 144.3 Ų | 144.3 | 89% | 0.894 | 81% | 0.812 | S | S | * | * | cis | -126.8 | 143.5 | 10.3 | -67 | 56.3 | 0 | 0 | 0 | 109.9 | ||||
| 357 | R | 31.3 | Very low | 32.1 | Very low | 227 Ų | 227 | 142.3 Ų | 142.3 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | trans | -91.5 | 166.2 | 156 | -80.8 | -169.4 | 177.4 | -139 | -0.3 | 109.4 | ||||
| 358 | D | 30.5 | Very low | 31.7 | Very low | 146 Ų | 146 | 136.4 Ų | 136.4 | 78% | 0.781 | 81% | 0.807 | S | S | * | * | trans | 69.3 | 134.7 | 175.7 | -41.9 | -38.7 | 0 | 0 | 0 | 112.8 | ||||
| 359 | T | 30.5 | Very low | 31.7 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 87% | 0.871 | 81% | 0.807 | S | S | * | * | cis | -151.2 | 163.5 | 24.6 | -39.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 360 | A | 35.2 | Very low | 31.9 | Very low | 93 Ų | 93 | 134.8 Ų | 134.8 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | 116.9 | 93.2 | 156.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 361 | D | 30.8 | Very low | 31.7 | Very low | 156 Ų | 156 | 138.1 Ų | 138.1 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -78.5 | 151.7 | 164.5 | -60.9 | -87.1 | 0 | 0 | 0 | 113.7 | ||||
| 362 | S | 29.4 | Very low | 31.6 | Very low | 106 Ų | 106 | 139 Ų | 139 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | 165.9 | 121.6 | 137.8 | -74.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 363 | L | 35.3 | Very low | 31.3 | Very low | 154 Ų | 154 | 143 Ų | 143 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | 62.9 | 130 | 77.3 | -60.7 | 167.8 | 0 | 0 | 0 | 112.3 | |||||
| 364 | D | 27.4 | Very low | 32 | Very low | 144 Ų | 144 | 142 Ų | 142 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | cis | -132.5 | 162.8 | 10.2 | -92.3 | -29.3 | 0 | 0 | 0 | 110.3 | ||||
| 365 | A | 30.8 | Very low | 32.8 | Very low | 95 Ų | 95 | 138.4 Ų | 138.4 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | cis | 97.1 | 136.5 | 28.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 366 | G | 26.8 | Very low | 32.6 | Very low | 74 Ų | 74 | 139 Ų | 139 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | trans | 103.9 | 114.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 367 | S | 29.7 | Very low | 32.8 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 94% | 0.944 | 77% | 0.77 | S | S | * | * | cis | 73.9 | 130.3 | 25.1 | -150.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 368 | G | 32.1 | Very low | 32.8 | Very low | 62 Ų | 62 | 130.8 Ų | 130.8 | 64% | 0.639 | 77% | 0.766 | S | S | * | * | cis | -176.8 | -144.6 | 2.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 369 | E | 32.9 | Very low | 32.7 | Very low | 190 Ų | 190 | 127.3 Ų | 127.3 | 89% | 0.888 | 77% | 0.765 | S | S | * | * | trans | 80.3 | 139.5 | 168.3 | -61.1 | -169.5 | -173.2 | 0 | 0 | 120.9 | ||||
| 370 | D | 34.4 | Very low | 32.6 | Very low | 98 Ų | 98 | 133.1 Ų | 133.1 | 52% | 0.524 | 77% | 0.771 | S | S | . | * | cis | -166.3 | 163.8 | -32.9 | -130.9 | -33.7 | 0 | 0 | 0 | 116.4 | ||||
| 371 | Y | 30.8 | Very low | 32.3 | Very low | 187 Ų | 187 | 139 Ų | 139 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | trans | 48.3 | 150.4 | 161.6 | -53.2 | -55 | 0 | 0 | 0 | 120.7 | ||||
| 372 | K | 28.7 | Very low | 32.3 | Very low | 193 Ų | 193 | 136.1 Ų | 136.1 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | cis | -168.9 | 156.7 | 35.2 | -146.2 | 155.1 | -167.8 | 166.1 | 0 | 114 | ||||
| 373 | E | 30.3 | Very low | 32.5 | Very low | 175 Ų | 175 | 138.3 Ų | 138.3 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -143.2 | -175.2 | 168.3 | -122.1 | -158.3 | -177.7 | 0 | 0 | 108 | ||||
| 374 | P | 50 | Low | 32.5 | Very low | 103 Ų | 103 | 141.2 Ų | 141.2 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | cis | -120.6 | -117.5 | -14.1 | 24.2 | 2.6 | 0 | 0 | 0 | 109 | ||||
| 375 | P | 48.1 | Very low | 32.7 | Very low | 97 Ų | 97 | 140.3 Ų | 140.3 | 63% | 0.63 | 76% | 0.757 | S | S | * | * | cis | -139.1 | 142.7 | -32.7 | 33.3 | -12 | 0 | 0 | 0 | 118 | ||||
| 376 | S | 29.1 | Very low | 33 | Very low | 107 Ų | 107 | 144.5 Ų | 144.5 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | 68.2 | 168.6 | 143.3 | 82.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 377 | Q | 34.4 | Very low | 33.2 | Very low | 162 Ų | 162 | 151.1 Ų | 151.1 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | cis | -161.2 | 162.3 | 4.8 | -149.4 | -178.7 | 77.2 | 0 | 0 | 112.6 | ||||
| 378 | T | 31.4 | Very low | 33.5 | Very low | 128 Ų | 128 | 156.3 Ų | 156.3 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | 68.5 | 154.1 | 166.7 | 76.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 379 | G | 29.1 | Very low | 33.6 | Very low | 73 Ų | 73 | 163.1 Ų | 163.1 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | cis | 150 | 114 | -17.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 380 | R | 28.6 | Very low | 34.3 | Very low | 264 Ų | 264 | 160 Ų | 160 | 100% | 0.996 | 77% | 0.773 | S | S | * | * | trans | -162.8 | 162.2 | 159.2 | -121.5 | 177.7 | -174.8 | -162.5 | 0.9 | 115.1 | ||||
| 381 | W | 27.4 | Very low | 34.2 | Very low | 216 Ų | 216 | 159.1 Ų | 159.1 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -146.6 | 123.1 | -165.7 | 173.7 | -4.5 | 0 | 0 | 0 | 111.2 | ||||
| 382 | S | 32.1 | Very low | 34.8 | Very low | 95 Ų | 95 | 161.5 Ų | 161.5 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | trans | 168.9 | 112.1 | 140.1 | -83.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 383 | K | 33.2 | Very low | 35.7 | Very low | 152 Ų | 152 | 161 Ų | 161 | 66% | 0.661 | 80% | 0.795 | S | S | * | * | 62.9 | 130.9 | 116.1 | -67 | 167.9 | -179.8 | 162.7 | 0 | 122.9 | |||||
| 384 | R | 34.2 | Very low | 36.3 | Very low | 215 Ų | 215 | 163.6 Ų | 163.6 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | 75 | 152.9 | 141 | -72.1 | 177.7 | 175.9 | -177.9 | -1.1 | 117.4 | ||||
| 385 | N | 32.3 | Very low | 36.1 | Very low | 125 Ų | 125 | 164.3 Ų | 164.3 | 67% | 0.668 | 80% | 0.799 | S | S | * | * | cis | -157.2 | 133.7 | -4.1 | -124.8 | -9.3 | 0 | 0 | 0 | 114.7 | ||||
| 386 | K | 37.1 | Very low | 36.1 | Very low | 183 Ų | 183 | 170.6 Ų | 170.6 | 80% | 0.796 | 83% | 0.828 | S | S | * | * | 44.5 | 122.5 | 121.6 | -171.1 | -176.9 | -172.7 | 177.9 | 0 | 121.1 | |||||
| 387 | K | 31.6 | Very low | 36.4 | Very low | 213 Ų | 213 | 173.8 Ų | 173.8 | 93% | 0.926 | 83% | 0.832 | S | S | * | * | trans | -149.7 | 139 | 139.6 | -112.6 | 167.2 | -174.3 | 172.5 | 0 | 112.2 | ||||
| 388 | R | 35.6 | Very low | 36.5 | Very low | 244 Ų | 244 | 174.4 Ų | 174.4 | 92% | 0.921 | 84% | 0.836 | S | S | * | * | trans | -129.4 | 154.7 | 171 | -98.4 | -174.4 | 171.6 | -176.4 | -2.8 | 107.7 | ||||
| 389 | K | 34.4 | Very low | 36.8 | Very low | 205 Ų | 205 | 176.9 Ų | 176.9 | 89% | 0.891 | 84% | 0.838 | S | S | * | * | trans | -130 | 144.5 | 158.3 | -91.6 | -170.5 | 173.1 | -175.3 | 0 | 108.8 | ||||
| 390 | P | 46.6 | Very low | 37.2 | Very low | 126 Ų | 126 | 183.1 Ų | 183.1 | 82% | 0.818 | 84% | 0.843 | S | S | * | * | trans | -95.5 | 156 | 175.5 | 37 | -33.3 | 0 | 0 | 0 | 112.5 | ||||
| 391 | G | 33.4 | Very low | 37.8 | Very low | 78 Ų | 78 | 178 Ų | 178 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | trans | -84.1 | 168.8 | 159 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 392 | R | 43.6 | Very low | 38.5 | Very low | 237 Ų | 237 | 175.5 Ų | 175.5 | 89% | 0.894 | 84% | 0.835 | S | S | * | * | trans | -147.3 | 123.4 | 179.1 | -175.2 | -175.3 | -169.2 | -178.8 | 5.3 | 109.7 | ||||
| 393 | E | 48 | Very low | 38.9 | Very low | 184 Ų | 184 | 181.2 Ų | 181.2 | 86% | 0.86 | 85% | 0.847 | S | S | * | * | trans | -78.1 | 150.8 | 174.2 | -65.1 | 170.5 | 110.8 | 0 | 0 | 112 | ||||
| 394 | R | 42.7 | Very low | 39.4 | Very low | 228 Ų | 228 | 183.5 Ų | 183.5 | 86% | 0.86 | 86% | 0.861 | S | S | * | * | trans | -163.2 | 145.9 | 140.2 | -117 | 178.3 | -175.8 | -169.9 | -1.5 | 111.7 | ||||
| 395 | T | 46.1 | Very low | 39.8 | Very low | 118 Ų | 118 | 180.8 Ų | 180.8 | 72% | 0.724 | 87% | 0.866 | S | S | * | * | trans | -38.3 | 152 | 153.3 | 51.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 396 | N | 46.5 | Very low | 40.5 | Very low | 229 Ų | 229 | 185.9 Ų | 185.9 | 100% | 1.225 | 88% | 0.884 | S | S | * | * | cis | -127.9 | 0 | 19.9 | -100.9 | -3.9 | 0 | 0 | 0 | 111.6 |
Retrieved 396 of 396 residues in 105.2 ms
(Link to these results)