| 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 | 45.6 | Very low | 56.8 | Low | 238 Ų | 238 | 134.5 Ų | 134.5 | 100% | 1.172 | 69% | 0.685 | S | S | * | * | 0 | 140.8 | 0 | -65.8 | 112.3 | 150.2 | 0 | 0 | 109.2 | |||||
| 2 | T | 45.9 | Very low | 57.6 | Low | 118 Ų | 118 | 132.6 Ų | 132.6 | 72% | 0.724 | 68% | 0.677 | S | S | * | * | trans | -132.7 | 103.3 | -179.8 | 35.6 | 0 | 0 | 0 | 0 | 110.3 | Y4 | T2-Y4 VanDerWaalsContact C-N 3.26Å; T2-Y4 PolarHBondContact O-N 3.34Å | ||
| 3 | P | 55.1 | Low | 58 | Low | 107 Ų | 107 | 130.5 Ų | 130.5 | 70% | 0.695 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -73.9 | -9.6 | -167.8 | 28.6 | -35.6 | 0 | 0 | 0 | 115.1 | R5 | P3-R5 VanDerWaalsContact C-N 3.3Å; P3-R5 PolarHBondContact O-N 3.33Å; P3-R5 VanDerWaalsContact O-N 3.16Å |
| 4 | Y | 55.5 | Low | 58.5 | Low | 186 Ų | 186 | 125.6 Ų | 125.6 | 73% | 0.729 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -77.5 | 3.7 | -166.4 | -67.7 | -77.4 | 0 | 0 | 0 | 116.7 | T2 | T2-Y4 VanDerWaalsContact C-N 3.26Å; T2-Y4 PolarHBondContact O-N 3.34Å |
| 5 | R | 58.8 | Low | 58.7 | Low | 218 Ų | 218 | 124.9 Ų | 124.9 | 82% | 0.823 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -92.3 | -14.4 | -173.4 | -68.7 | -68.7 | 178.5 | 171.2 | -2.8 | 115.8 | P3 | P3-R5 VanDerWaalsContact C-N 3.3Å; P3-R5 PolarHBondContact O-N 3.33Å; P3-R5 VanDerWaalsContact O-N 3.16Å |
| 6 | L | 55.3 | Low | 58.9 | Low | 132 Ų | 132 | 124.9 Ų | 124.9 | 69% | 0.691 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -99.8 | -9.8 | -179.7 | -66.8 | 173.5 | 0 | 0 | 0 | 114.4 | P9 | L6-P9 WeakPolarHBondContact O-CD 3.03Å; L6-P9 WeakPolarHBondContact O-CG 3.28Å |
| 7 | L | 54.9 | Low | 58.9 | Low | 113 Ų | 113 | 126.1 Ų | 126.1 | 59% | 0.592 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -68.5 | -43 | -178.9 | -147.8 | 132.9 | 0 | 0 | 0 | 114.4 | L11 | L7-L11 HydrophobicContact CD2-CD1 4.42Å; L7-L11 PolarHBondContact O-N 2.75Å |
| 8 | P | 62.3 | Low | 58.6 | Low | 76 Ų | 76 | 123.5 Ų | 123.5 | 49% | 0.494 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -62.2 | -44.9 | 179.4 | 16.1 | -24.7 | 0 | 0 | 0 | 116.6 | L10 L11 L12 | P8-L10 PolarHBondContact O-N 2.87Å; P8-L11 PolarHBondContact O-N 2.83Å; P8-L12 PolarHBondContact O-N 2.99Å; P8-L12 VanDerWaalsContact O-N 3.16Å |
| 9 | P | 63.5 | Low | 58 | Low | 71 Ų | 71 | 121.1 Ų | 121.1 | 46% | 0.461 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -67.3 | -33.9 | -178 | 24.9 | -35 | 0 | 0 | 0 | 113.5 | L6 L11 L12 L13 | L6-P9 WeakPolarHBondContact O-CD 3.03Å; L6-P9 WeakPolarHBondContact O-CG 3.28Å; P9-L11 VanDerWaalsContact C-N 3.33Å; P9-L11 PolarHBondContact O-N 2.78Å; P9-L12 PolarHBondContact O-N 2.83Å; P9-L13 PolarHBondContact O-N 2.03Å |
| 10 | L | 63.7 | Low | 57.8 | Low | 120 Ų | 120 | 120.4 Ų | 120.4 | 63% | 0.628 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -65.6 | -37.5 | 176 | -72.3 | 170.1 | 0 | 0 | 0 | 112 | P8 L13 A14 | P8-L10 PolarHBondContact O-N 2.87Å; L10-L13 PolarHBondContact O-N 3.14Å; L10-A14 PolarHBondContact O-N 3.13Å |
| 11 | L | 64.7 | Low | 57.3 | Low | 101 Ų | 101 | 120.7 Ų | 120.7 | 53% | 0.529 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -68.7 | -38.6 | 178.6 | -143.5 | 162.1 | 0 | 0 | 0 | 111.3 | L7 P8 P9 A14 L15 | L7-L11 HydrophobicContact CD2-CD1 4.42Å; L7-L11 PolarHBondContact O-N 2.75Å; P8-L11 PolarHBondContact O-N 2.83Å; P9-L11 VanDerWaalsContact C-N 3.33Å; P9-L11 PolarHBondContact O-N 2.78Å; L11-A14 PolarHBondContact O-N 3.09Å; L11-L15 HydrophobicContact CD2-CD1 4.05Å; L11-L15 WeakPolarHBondContact O-CG 3.01Å; L11-L15 PolarHBondContact O-N 2.86Å; L11-L15 VanDerWaalsContact O-N 3.14Å |
| 12 | L | 65.4 | Low | 57.7 | Low | 111 Ų | 111 | 112.8 Ų | 112.8 | 58% | 0.581 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -62.1 | -42 | 170.4 | -94.1 | 155.4 | 0 | 0 | 0 | 112.9 | P8 P9 L15 L16 | P8-L12 PolarHBondContact O-N 2.99Å; P8-L12 VanDerWaalsContact O-N 3.16Å; P9-L12 PolarHBondContact O-N 2.83Å; L12-L15 PolarHBondContact O-N 2.81Å; L12-L16 PolarHBondContact O-N 3.48Å |
| 13 | L | 63.6 | Low | 58.1 | Low | 106 Ų | 106 | 110.3 Ų | 110.3 | 56% | 0.555 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -65.9 | -39.4 | 178.9 | -153 | 77.1 | 0 | 0 | 0 | 112 | P9 L10 L16 L17 | P9-L13 PolarHBondContact O-N 2.03Å; L10-L13 PolarHBondContact O-N 3.14Å; L13-L16 PolarHBondContact O-N 2.84Å; L13-L17 PolarHBondContact O-N 2.98Å |
| 14 | A | 64.8 | Low | 58.4 | Low | 62 Ų | 62 | 110 Ų | 110 | 51% | 0.512 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -64.7 | -37.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L10 L11 L17 A18 | L10-A14 PolarHBondContact O-N 3.13Å; L11-A14 PolarHBondContact O-N 3.09Å; A14-L17 PolarHBondContact O-N 3.43Å; A14-A18 PolarHBondContact O-N 3.4Å |
| 15 | L | 61.6 | Low | 58.8 | Low | 114 Ų | 114 | 108.1 Ų | 108.1 | 60% | 0.597 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -64.3 | -38.6 | 175 | -80.4 | 162 | 0 | 0 | 0 | 112.6 | L11 L12 A18 | L11-L15 HydrophobicContact CD2-CD1 4.05Å; L11-L15 WeakPolarHBondContact O-CG 3.01Å; L11-L15 PolarHBondContact O-N 2.86Å; L11-L15 VanDerWaalsContact O-N 3.14Å; L12-L15 PolarHBondContact O-N 2.81Å; L15-A18 PolarHBondContact O-N 2.75Å |
| 16 | L | 61.3 | Low | 58.9 | Low | 126 Ų | 126 | 102.9 Ų | 102.9 | 66% | 0.66 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -67.5 | -39.4 | 176.9 | -72.5 | 164.2 | 0 | 0 | 0 | 112.2 | L12 L13 A18 A19 | L12-L16 PolarHBondContact O-N 3.48Å; L13-L16 PolarHBondContact O-N 2.84Å; L16-A18 VanDerWaalsContact C-N 3.27Å; L16-A18 PolarHBondContact O-N 2.87Å; L16-A19 WeakPolarHBondContact O-CB 3.49Å; L16-A19 PolarHBondContact O-N 2.92Å |
| 17 | L | 59.8 | Low | 59.8 | Low | 145 Ų | 145 | 107 Ų | 107 | 76% | 0.759 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -69.1 | -21.8 | 178.2 | -74.8 | 163.5 | 0 | 0 | 0 | 113.7 | L13 A14 A19 | L13-L17 PolarHBondContact O-N 2.98Å; A14-L17 PolarHBondContact O-N 3.43Å; L17-A19 VanDerWaalsContact C-N 3.32Å |
| 18 | A | 52.7 | Low | 60.6 | Low | 79 Ų | 79 | 107.2 Ų | 107.2 | 65% | 0.653 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -12.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A14 L15 L16 S20 | A14-A18 PolarHBondContact O-N 3.4Å; L15-A18 PolarHBondContact O-N 2.75Å; L16-A18 VanDerWaalsContact C-N 3.27Å; L16-A18 PolarHBondContact O-N 2.87Å; A18-S20 PolarHBondContact O-N 3.08Å |
| 19 | A | 47.6 | Very low | 61.2 | Low | 78 Ų | 78 | 109.8 Ų | 109.8 | 65% | 0.645 | 69% | 0.692 | S | S | * | * | trans | -80.6 | 52.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L16 L17 P21 | L16-A19 WeakPolarHBondContact O-CB 3.49Å; L16-A19 PolarHBondContact O-N 2.92Å; L17-A19 VanDerWaalsContact C-N 3.32Å; A19-P21 WeakPolarHBondContact O-CD 3.02Å | ||
| 20 | S | 54.6 | Low | 61 | Low | 106 Ų | 106 | 109.7 Ų | 109.7 | 74% | 0.741 | 70% | 0.703 | S | S | * | * | trans | -82.3 | 114.6 | 173.2 | -162.1 | 0 | 0 | 0 | 0 | 110 | A18 G22 | A18-S20 PolarHBondContact O-N 3.08Å; S20-G22 PolarHBondContact O-N 2.04Å | ||
| 21 | P | 47.1 | Very low | 60.9 | Low | 127 Ų | 127 | 110.8 Ų | 110.8 | 83% | 0.825 | 72% | 0.719 | S | S | * | * | trans | -79.1 | 68.3 | -172.7 | 33.1 | -36.2 | 0 | 0 | 0 | 111.9 | A19 G23 | A19-P21 WeakPolarHBondContact O-CD 3.02Å; P21-G23 PolarHBondContact O-N 3.49Å | ||
| 22 | G | 52.9 | Low | 60.5 | Low | 73 Ų | 73 | 108.6 Ų | 108.6 | 75% | 0.753 | 72% | 0.721 | S | S | * | * | trans | -70.5 | 62.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S20 A24 | S20-G22 PolarHBondContact O-N 2.04Å; G22-A24 PolarHBondContact O-N 3.25Å | ||
| 23 | G | 54.3 | Low | 59.8 | Low | 65 Ų | 65 | 113.4 Ų | 113.4 | 67% | 0.67 | 74% | 0.741 | S | S | * | * | trans | -65.9 | 96.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P21 L25 | P21-G23 PolarHBondContact O-N 3.49Å; G23-L25 VanDerWaalsContact C-N 3.33Å; G23-L25 PolarHBondContact O-N 3.07Å | ||
| 24 | A | 62.2 | Low | 59.1 | Low | 101 Ų | 101 | 111.1 Ų | 111.1 | 84% | 0.835 | 74% | 0.743 | S | S | * | * | trans | -71 | 84.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | G22 A26 | G22-A24 PolarHBondContact O-N 3.25Å; A24-A26 PolarHBondContact O-N 2.88Å | ||
| 25 | L | 63.5 | Low | 58.4 | Low | 147 Ų | 147 | 115 Ų | 115 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | -57.3 | 119.8 | 176.3 | -69.9 | 174 | 0 | 0 | 0 | 111.1 | G23 R27 | G23-L25 VanDerWaalsContact C-N 3.33Å; G23-L25 PolarHBondContact O-N 3.07Å; L25-R27 PolarHBondContact O-N 2.79Å | ||
| 26 | A | 61.7 | Low | 57.8 | Low | 107 Ų | 107 | 114.8 Ų | 114.8 | 88% | 0.884 | 76% | 0.756 | S | S | * | * | trans | -69.1 | 91.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | A24 | A24-A26 PolarHBondContact O-N 2.88Š| ||
| 27 | R | 74.6 | Confident | 57.3 | Low | 220 Ų | 220 | 113.8 Ų | 113.8 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 137.2 | 171.3 | -76.1 | -178.4 | 159.5 | 103.3 | -4.6 | 110.4 | L25 | L25-R27 PolarHBondContact O-N 2.79Š|
| 28 | C | 71.7 | Confident | 56.8 | Low | 116 Ų | 116 | 110.4 Ų | 110.4 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 143.5 | 160.9 | -61.7 | 0 | 0 | 0 | 0 | 109.4 | G30 | C28-G30 PolarHBondContact O-N 2.89Š|
| 29 | P | 73.9 | Confident | 56.1 | Low | 131 Ų | 131 | 110.9 Ų | 110.9 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 120.5 | 165.7 | 27.9 | -32.4 | 0 | 0 | 0 | 108.2 | ||
| 30 | G | 60.5 | Low | 56.1 | Low | 68 Ų | 68 | 114.1 Ų | 114.1 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 160.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | C28 G32 | C28-G30 PolarHBondContact O-N 2.89Å; G30-G32 PolarHBondContact O-N 3.28Å; G30-G32 VanDerWaalsContact O-N 3.07Å |
| 31 | C | 61 | Low | 56 | Low | 143 Ų | 143 | 111.8 Ų | 111.8 | 97% | 0.966 | 77% | 0.771 | S | S | * | * | trans | -69.8 | 101.5 | 166.3 | -63.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 32 | G | 56.4 | Low | 55.9 | Low | 56 Ų | 56 | 107.9 Ų | 107.9 | 58% | 0.577 | 75% | 0.753 | S | S | * | * | trans | -79.1 | 174.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G30 G34 | G30-G32 PolarHBondContact O-N 3.28Å; G30-G32 VanDerWaalsContact O-N 3.07Å; G32-G34 PolarHBondContact O-N 3.19Å | ||
| 33 | Q | 50.8 | Low | 55.4 | Low | 212 Ų | 212 | 109 Ų | 109 | 99% | 0.991 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -69.5 | 76 | 164.9 | -77.2 | 90.1 | 15.2 | 0 | 0 | 111 | ||
| 34 | G | 48.4 | Very low | 54.8 | Low | 58 Ų | 58 | 111.4 Ų | 111.4 | 60% | 0.598 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -139.7 | 142.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | G32 | G32-G34 PolarHBondContact O-N 3.19Š|
| 35 | V | 49.4 | Very low | 54.8 | Low | 143 Ų | 143 | 116.1 Ų | 116.1 | 87% | 0.867 | 75% | 0.754 | S | S | * | * | trans | -48.7 | 140 | -173.6 | 177.1 | 0 | 0 | 0 | 0 | 111.9 | A37 | V35-A37 PolarHBondContact O-N 3.08Š| ||
| 36 | Q | 50.5 | Low | 54 | Low | 110 Ų | 110 | 117.6 Ų | 117.6 | 51% | 0.514 | 76% | 0.758 | S | S | . | * | trans | -67.6 | 45.5 | -173 | -57.1 | -174.9 | 16 | 0 | 0 | 115.2 | G38 C43 | Q36-G38 PolarHBondContact O-N 2.87Å; Q36-C43 PolarHBondContact NE2-SG 2.9Å; Q36-C43 VanDerWaalsContact NE2-SG 3.43Å | ||
| 37 | A | 49.9 | Very low | 53.5 | Low | 105 Ų | 105 | 121.8 Ų | 121.8 | 87% | 0.868 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 61.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V35 | V35-A37 PolarHBondContact O-N 3.08Š|
| 38 | G | 48.4 | Very low | 52.4 | Low | 73 Ų | 73 | 119.5 Ų | 119.5 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -167.8 | -23 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q36 | Q36-G38 PolarHBondContact O-N 2.87Š|
| 39 | C | 39 | Very low | 51.4 | Low | 89 Ų | 89 | 117.3 Ų | 117.3 | 60% | 0.601 | 76% | 0.76 | S | S | * | * | trans | -105.5 | 126.2 | 176.6 | -67.2 | 0 | 0 | 0 | 0 | 110.4 | G41 | C39-G41 PolarHBondContact O-N 3.42Š| ||
| 40 | P | 48.4 | Very low | 49.9 | Very low | 146 Ų | 146 | 114.2 Ų | 114.2 | 95% | 0.948 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -79.5 | 61.9 | 176.7 | 34.6 | -35.6 | 0 | 0 | 0 | 110.5 | ||
| 41 | G | 52.4 | Low | 49.4 | Very low | 58 Ų | 58 | 117.1 Ų | 117.1 | 60% | 0.598 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 165.8 | 70.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | C39 | C39-G41 PolarHBondContact O-N 3.42Š|
| 42 | G | 44.2 | Very low | 48.5 | Very low | 44 Ų | 44 | 115.8 Ų | 115.8 | 45% | 0.454 | 75% | 0.751 | S | S | . | * | trans | -73.2 | 155.2 | 171 | 0 | 0 | 0 | 0 | 0 | 110.6 | V44 | G42-V44 PolarHBondContact O-N 3.34Š| ||
| 43 | C | 41.6 | Very low | 48 | Very low | 97 Ų | 97 | 117.9 Ų | 117.9 | 66% | 0.655 | 76% | 0.763 | S | S | * | * | trans | -64.5 | 101.1 | 176.6 | -49 | 0 | 0 | 0 | 0 | 110 | Q36 | Q36-C43 PolarHBondContact NE2-SG 2.9Å; Q36-C43 VanDerWaalsContact NE2-SG 3.43Å | ||
| 44 | V | 42.8 | Very low | 47.6 | Very low | 116 Ų | 116 | 117.2 Ų | 117.2 | 70% | 0.703 | 76% | 0.76 | S | S | * | * | trans | -108 | 108 | 169.5 | -179.7 | 0 | 0 | 0 | 0 | 107.6 | G42 E46 | G42-V44 PolarHBondContact O-N 3.34Å; V44-E46 HydrophobicContact CG1-CB 4.26Å; V44-E46 HydrophobicContact CG1-CG 4.26Å | ||
| 45 | E | 62.4 | Low | 47.4 | Very low | 199 Ų | 199 | 117.1 Ų | 117.1 | 93% | 0.93 | 76% | 0.759 | S | S | * | * | trans | -86.6 | 97.8 | 160.2 | -68.5 | -172.6 | 106.4 | 0 | 0 | 108 | ||||
| 46 | E | 46.9 | Very low | 47.7 | Very low | 179 Ų | 179 | 114.2 Ų | 114.2 | 84% | 0.836 | 74% | 0.744 | S | S | * | * | trans | -140.6 | 155.1 | 159.9 | -74.1 | -157.5 | 118 | 0 | 0 | 109.8 | V44 | V44-E46 HydrophobicContact CG1-CB 4.26Å; V44-E46 HydrophobicContact CG1-CG 4.26Å | ||
| 47 | E | 51 | Low | 47.7 | Very low | 194 Ų | 194 | 112.8 Ų | 112.8 | 91% | 0.907 | 75% | 0.751 | S | S | * | * | trans | -87.4 | 159.7 | -169 | -66 | -171.8 | 82.6 | 0 | 0 | 114.8 | ||||
| 48 | D | 51.8 | Low | 48.2 | Very low | 172 Ų | 172 | 116.9 Ų | 116.9 | 92% | 0.92 | 75% | 0.752 | S | S | * | * | trans | 66.1 | 165.1 | 163 | -163.1 | 34.5 | 0 | 0 | 0 | 118.4 | ||||
| 49 | G | 49.7 | Very low | 48.3 | Very low | 70 Ų | 70 | 117.4 Ų | 117.4 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 109.1 | 3.6 | 152.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||
| 50 | G | 41.9 | Very low | 49 | Very low | 67 Ų | 67 | 121 Ų | 121 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | trans | 125.4 | 144.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | P52 | G50-P52 VanDerWaalsContact O-CD 3.28Å; G50-P52 WeakPolarHBondContact O-CD 3.28Å | ||
| 51 | S | 51.2 | Low | 49.5 | Very low | 128 Ų | 128 | 117 Ų | 117 | 90% | 0.895 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 118.6 | -168.5 | -51.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 52 | P | 42.1 | Very low | 50.5 | Low | 116 Ų | 116 | 116.2 Ų | 116.2 | 75% | 0.753 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 165.5 | 159.7 | -7.7 | 27.5 | 0 | 0 | 0 | 110.4 | G50 | G50-P52 VanDerWaalsContact O-CD 3.28Å; G50-P52 WeakPolarHBondContact O-CD 3.28Å |
| 53 | A | 44.5 | Very low | 52.7 | Low | 99 Ų | 99 | 117.8 Ų | 117.8 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -58 | 141 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | G55 | A53-G55 PolarHBondContact O-N 3.19Š|
| 54 | Q | 43.1 | Very low | 55.1 | Low | 198 Ų | 198 | 117 Ų | 117 | 93% | 0.925 | 71% | 0.709 | S | S | * | * | trans | -65.3 | 87.5 | -163.8 | -167.4 | 167.4 | 7.2 | 0 | 0 | 113.3 | ||||
| 55 | G | 43.6 | Very low | 57.5 | Low | 56 Ų | 56 | 119.5 Ų | 119.5 | 58% | 0.577 | 71% | 0.705 | S | S | * | * | trans | -68.5 | 165.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A53 A57 | A53-G55 PolarHBondContact O-N 3.19Å; G55-A57 PolarHBondContact O-N 3.16Å | ||
| 56 | C | 56.7 | Low | 59 | Low | 83 Ų | 83 | 116 Ų | 116 | 56% | 0.561 | 69% | 0.689 | S | S | * | * | trans | -74.3 | 65.6 | -177.5 | -57.6 | 0 | 0 | 0 | 0 | 112.8 | C62 | C56-C62 WeakPolarHBondContact CA-SG 3.49Å; C56-C62 HydrophobicContact CB-CB 3.73Å; C56-C62 WeakPolarHBondContact CB-SG 3.42Å; C56-C62 WeakPolarHBondContact SG-CB 3.41Å; C56-C62 CovalentContact SG-SG 2.03Å; C56-C62 PolarHBondContact SG-SG 3.35Å | ||
| 57 | A | 50.2 | Low | 61.2 | Low | 80 Ų | 80 | 109.4 Ų | 109.4 | 66% | 0.661 | 67% | 0.669 | S | S | * | * | trans | -62 | 149.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111 | G55 A59 | G55-A57 PolarHBondContact O-N 3.16Å; A57-A59 VanDerWaalsContact C-N 3.31Å; A57-A59 PolarHBondContact O-N 2.87Å | ||
| 58 | E | 60.8 | Low | 63.3 | Low | 190 Ų | 190 | 104 Ų | 104 | 89% | 0.888 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | 58.3 | -155.7 | -65.1 | 178 | 101.9 | 0 | 0 | 115.1 | ||
| 59 | A | 49.2 | Very low | 65.4 | Low | 84 Ų | 84 | 101.6 Ų | 101.6 | 69% | 0.694 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.7 | 108.9 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | A57 G61 | A57-A59 VanDerWaalsContact C-N 3.31Å; A57-A59 PolarHBondContact O-N 2.87Å; A59-G61 PolarHBondContact O-N 3.21Å |
| 60 | E | 53.8 | Low | 67.6 | Low | 165 Ų | 165 | 98.3 Ų | 98.3 | 77% | 0.771 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53.9 | -7 | 174.6 | -66.3 | -127.2 | 103.6 | 0 | 0 | 118.9 | C62 | E60-C62 PolarHBondContact O-N 3.15Å; E60-C62 VanDerWaalsContact O-N 3.14Å |
| 61 | G | 59.1 | Low | 70.1 | Confident | 61 Ų | 61 | 95.7 Ų | 95.7 | 63% | 0.629 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -20.1 | -161.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | A59 | A59-G61 PolarHBondContact O-N 3.21Š|
| 62 | C | 74.9 | Confident | 72.2 | Confident | 43 Ų | 43 | 93.9 Ų | 93.9 | 29% | 0.291 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.7 | 19.7 | -169.5 | -75.7 | 0 | 0 | 0 | 0 | 115.8 | C56 E60 P75 | C56-C62 WeakPolarHBondContact CA-SG 3.49Å; C56-C62 HydrophobicContact CB-CB 3.73Å; C56-C62 WeakPolarHBondContact CB-SG 3.42Å; C56-C62 WeakPolarHBondContact SG-CB 3.41Å; C56-C62 CovalentContact SG-SG 2.03Å; C56-C62 PolarHBondContact SG-SG 3.35Å; E60-C62 PolarHBondContact O-N 3.15Å; E60-C62 VanDerWaalsContact O-N 3.14Å; C62-P75 HydrophobicContact CB-CB 4.35Å; C62-P75 WeakPolarHBondContact O-CB 3.33Å |
| 63 | L | 89.8 | Confident | 74.5 | Confident | 77 Ų | 77 | 97.3 Ų | 97.3 | 40% | 0.403 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -89.3 | 127.2 | 171.4 | -66.9 | 176 | 0 | 0 | 0 | 111.3 | N76 A78 | L63-N76 WeakPolarHBondContact CA-O 3.35Å; L63-N76 HydrophobicContact CD2-CB 4.39Å; L63-A78 HydrophobicContact CB-CB 4.02Å |
| 64 | R | 91.1 | Very high | 76.7 | Confident | 81 Ų | 81 | 94.4 Ų | 94.4 | 31% | 0.306 | 52% | 0.521 | S | S | . | . | B | Isolated β-bridge | trans | -73.1 | 126.4 | 177.5 | -67.6 | -72.6 | 174.1 | 132 | -13.4 | 110.3 | Q68 E69 P75 N76 C77 A78 C103 | R64-Q68 HydrophobicContact CB-CB 4.42Å; R64-E69 PolarHBondContact NH1-O 3.44Å; R64-P75 WeakPolarHBondContact CG-O 3.34Å; R64-N76 PolarHBondContact N-O 2.03Å; R64-C77 CarbonylContact O-C 3.57Å; R64-C77 WeakPolarHBondContact O-CA 3.34Å; R64-A78 PolarHBondContact O-N 2.7Å; R64-C103 WeakPolarHBondContact CB-SG 3.42Å |
| 65 | R | 92.8 | Very high | 79 | Confident | 168 Ų | 168 | 87.4 Ų | 87.4 | 63% | 0.634 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -78.2 | 166.7 | -178.8 | -59.7 | -179.9 | -178.2 | -103.5 | -8.2 | 111.1 | G67 Q68 C103 | R65-G67 PolarHBondContact O-N 3.44Å; R65-Q68 HydrophobicContact CB-CG 4.11Å; R65-Q68 VanDerWaalsContact O-CB 3.28Å; R65-Q68 WeakPolarHBondContact O-CB 3.33Å; R65-Q68 PolarHBondContact O-N 2.91Å; R65-Q68 VanDerWaalsContact O-N 3.09Å; R65-C103 WeakPolarHBondContact O-CB 3.49Å |
| 66 | E | 94.9 | Very high | 81.3 | Confident | 125 Ų | 125 | 90.9 Ų | 90.9 | 58% | 0.584 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 139.1 | 177.8 | -167.3 | 176.1 | 176.9 | 0 | 0 | 111.6 | Q68 L81 C103 P105 | E66-Q68 PolarHBondContact O-N 2.79Å; E66-Q68 VanDerWaalsContact O-N 3.13Å; E66-L81 HydrophobicContact CB-CD1 4.02Å; E66-L81 HydrophobicContact CB-CD2 4.11Å; E66-L81 HydrophobicContact CG-CD2 4.13Å; E66-L81 VanDerWaalsContact N-CD1 3.33Å; E66-C103 CarbonylContact C-O 3.06Å; E66-C103 WeakPolarHBondContact CA-O 3.44Å; E66-P105 WeakPolarHBondContact OE1-CD 3.26Å; E66-P105 WeakPolarHBondContact OE1-CG 3.07Å |
| 67 | G | 93.5 | Very high | 83.1 | Confident | 40 Ų | 40 | 87.9 Ų | 87.9 | 41% | 0.412 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | -12.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | R65 R102 C103 | R65-G67 PolarHBondContact O-N 3.44Å; G67-R102 WeakPolarHBondContact O-CD 3.36Å; G67-C103 PolarHBondContact N-O 3.47Å |
| 68 | Q | 94.8 | Very high | 85.1 | Confident | 81 Ų | 81 | 85.4 Ų | 85.4 | 38% | 0.379 | 46% | 0.457 | S | S | . | . | trans | -70.6 | 149.9 | 177.3 | -66.9 | -171.4 | -21.5 | 0 | 0 | 112.3 | R64 R65 E66 R102 C103 | R64-Q68 HydrophobicContact CB-CB 4.42Å; R65-Q68 HydrophobicContact CB-CG 4.11Å; R65-Q68 VanDerWaalsContact O-CB 3.28Å; R65-Q68 WeakPolarHBondContact O-CB 3.33Å; R65-Q68 PolarHBondContact O-N 2.91Å; R65-Q68 VanDerWaalsContact O-N 3.09Å; E66-Q68 PolarHBondContact O-N 2.79Å; E66-Q68 VanDerWaalsContact O-N 3.13Å; Q68-R102 WeakPolarHBondContact O-CA 3.46Å; Q68-C103 PolarHBondContact O-N 2.73Å; Q68-C103 VanDerWaalsContact O-N 3.08Å | ||
| 69 | E | 95.8 | Very high | 86.6 | Confident | 121 Ų | 121 | 84.5 Ų | 84.5 | 57% | 0.565 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 138.6 | 176.3 | -69.6 | -177.5 | 123.2 | 0 | 0 | 112.3 | R64 G101 | R64-E69 PolarHBondContact NH1-O 3.44Å; E69-G101 CarbonylContact C-O 3.46Å; E69-G101 VanDerWaalsContact CA-O 3.26Å; E69-G101 WeakPolarHBondContact CA-O 3.02Å |
| 70 | C | 95.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 83.3 Ų | 83.3 | 1% | 0.007 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 164.5 | -175.9 | 65.9 | 0 | 0 | 0 | 0 | 112.6 | T74 C83 G99 G101 R102 C103 | C70-T74 WeakPolarHBondContact CA-OG1 3.5Å; C70-C83 HydrophobicContact CB-CB 3.95Å; C70-C83 WeakPolarHBondContact CB-SG 3.03Å; C70-C83 PolarHBondContact O-SG 3.21Å; C70-C83 WeakPolarHBondContact SG-CA 3.28Å; C70-C83 WeakPolarHBondContact SG-CB 3.45Å; C70-C83 CovalentContact SG-SG 2.03Å; C70-C83 PolarHBondContact SG-SG 3.33Å; C70-G99 PolarHBondContact N-O 2.89Å; C70-G99 CarbonylContact O-C 3.5Å; C70-G99 WeakPolarHBondContact O-CA 3.29Å; C70-G99 VanDerWaalsContact O-O 3.08Å; C70-G101 PolarHBondContact N-O 2.79Å; C70-G101 VanDerWaalsContact O-CA 3.32Å; C70-G101 WeakPolarHBondContact O-CA 3.48Å; C70-G101 PolarHBondContact O-N 3.18Å; C70-R102 VanDerWaalsContact SG-CA 3.55Å; C70-R102 PolarHBondContact SG-N 2.79Å; C70-R102 VanDerWaalsContact SG-N 3.44Å; C70-C103 PolarHBondContact SG-N 3.07Å; C70-C103 VanDerWaalsContact SG-N 3.44Å |
| 71 | G | 94.8 | Very high | 90.6 | Very high | 13 Ų | 13 | 77.1 Ų | 77.1 | 13% | 0.134 | 43% | 0.425 | C | S | . | . | trans | -178.4 | -172.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y73 T74 L96 | G71-Y73 PolarHBondContact O-N 3.22Å; G71-Y73 VanDerWaalsContact O-N 3.15Å; G71-T74 PolarHBondContact N-OG1 3.41Å; G71-T74 PolarHBondContact O-N 3.05Å; G71-T74 PolarHBondContact O-OG1 3.37Å; G71-L96 CarbonylContact C-O 3.59Å; G71-L96 WeakPolarHBondContact CA-O 3.37Å | ||
| 72 | V | 94.9 | Very high | 92.3 | Very high | 89 Ų | 89 | 79.5 Ų | 79.5 | 54% | 0.539 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -27.3 | -174 | -178.7 | 0 | 0 | 0 | 0 | 113.1 | L96 L97 | V72-L96 HydrophobicContact CG2-CB 4.31Å; V72-L96 PolarHBondContact N-O 3.17Å; V72-L97 HydrophobicContact CB-CD2 4.04Å; V72-L97 HydrophobicContact CG1-CD2 4.19Å; V72-L97 HydrophobicContact CG2-CD2 3.92Å; V72-L97 HydrophobicContact CG2-CG 4.29Å |
| 73 | Y | 91.1 | Very high | 93.3 | Very high | 188 Ų | 188 | 79.3 Ų | 79.3 | 74% | 0.737 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.7 | 12.6 | -177.8 | -53.1 | -64.1 | 0 | 0 | 0 | 113.4 | G71 L97 | G71-Y73 PolarHBondContact O-N 3.22Å; G71-Y73 VanDerWaalsContact O-N 3.15Å; Y73-L97 HydrophobicContact CE2-CD2 3.69Å |
| 74 | T | 90.2 | Very high | 93.7 | Very high | 38 Ų | 38 | 77.8 Ų | 77.8 | 23% | 0.233 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -93.3 | 165.6 | 172.6 | 72.3 | 0 | 0 | 0 | 0 | 110.4 | C70 G71 | C70-T74 WeakPolarHBondContact CA-OG1 3.5Å; G71-T74 PolarHBondContact N-OG1 3.41Å; G71-T74 PolarHBondContact O-N 3.05Å; G71-T74 PolarHBondContact O-OG1 3.37Å |
| 75 | P | 91.4 | Very high | 93.9 | Very high | 51 Ų | 51 | 75.8 Ų | 75.8 | 33% | 0.331 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -56 | 151.5 | 161.8 | -21.7 | 33.6 | 0 | 0 | 0 | 111.5 | C62 R64 | C62-P75 HydrophobicContact CB-CB 4.35Å; C62-P75 WeakPolarHBondContact O-CB 3.33Å; R64-P75 WeakPolarHBondContact CG-O 3.34Å |
| 76 | N | 92.3 | Very high | 94 | Very high | 130 Ų | 130 | 70.1 Ų | 70.1 | 70% | 0.695 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 156.2 | -176.2 | -69.8 | -55.6 | 0 | 0 | 0 | 112.4 | L63 R64 | L63-N76 WeakPolarHBondContact CA-O 3.35Å; L63-N76 HydrophobicContact CD2-CB 4.39Å; R64-N76 PolarHBondContact N-O 2.03Å |
| 77 | C | 94.2 | Very high | 93.7 | Very high | 19 Ų | 19 | 72 Ų | 72 | 13% | 0.128 | 40% | 0.4 | C | S | . | . | B | Isolated β-bridge | trans | -65.5 | 153.4 | 165.6 | -57 | 0 | 0 | 0 | 0 | 111.6 | R64 L81 C83 C103 | R64-C77 CarbonylContact O-C 3.57Å; R64-C77 WeakPolarHBondContact O-CA 3.34Å; C77-L81 HydrophobicContact CB-CB 3.7Å; C77-C83 PolarHBondContact SG-N 2.71Å; C77-C103 VanDerWaalsContact CA-SG 3.52Å; C77-C103 HydrophobicContact CB-CB 3.7Å; C77-C103 WeakPolarHBondContact CB-SG 3.32Å; C77-C103 WeakPolarHBondContact SG-CA 3.36Å; C77-C103 WeakPolarHBondContact SG-CB 3.13Å; C77-C103 CovalentContact SG-SG 2.04Å; C77-C103 PolarHBondContact SG-SG 2.91Å |
| 78 | A | 92.3 | Very high | 93.5 | Very high | 28 Ų | 28 | 77.8 Ų | 77.8 | 23% | 0.231 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 164.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L63 R64 G80 L81 | L63-A78 HydrophobicContact CB-CB 4.02Å; R64-A78 PolarHBondContact O-N 2.7Å; A78-G80 PolarHBondContact O-N 2.94Å; A78-L81 HydrophobicContact CB-CD1 4.08Å; A78-L81 WeakPolarHBondContact O-CB 3.03Å; A78-L81 PolarHBondContact O-N 3.34Å |
| 79 | L | 91.7 | Very high | 93.3 | Very high | 171 Ų | 171 | 75.2 Ų | 75.2 | 90% | 0.895 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 134.3 | 179.7 | -62.5 | 175.5 | 0 | 0 | 0 | 111.1 | L81 | L79-L81 VanDerWaalsContact C-N 3.3Š|
| 80 | G | 92.4 | Very high | 93.1 | Very high | 59 Ų | 59 | 78.8 Ų | 78.8 | 61% | 0.608 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | -7.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | A78 A106 | A78-G80 PolarHBondContact O-N 2.94Å; G80-A106 WeakPolarHBondContact O-CB 2.99Å; G80-A106 PolarHBondContact O-N 2.93Å |
| 81 | L | 94.6 | Very high | 93.1 | Very high | 36 Ų | 36 | 80.6 Ų | 80.6 | 19% | 0.188 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 150.3 | 177.7 | -56.3 | 177.2 | 0 | 0 | 0 | 112 | E66 C77 A78 L79 C103 L104 P105 | E66-L81 HydrophobicContact CB-CD1 4.02Å; E66-L81 HydrophobicContact CB-CD2 4.11Å; E66-L81 HydrophobicContact CG-CD2 4.13Å; E66-L81 VanDerWaalsContact N-CD1 3.33Å; C77-L81 HydrophobicContact CB-CB 3.7Å; A78-L81 HydrophobicContact CB-CD1 4.08Å; A78-L81 WeakPolarHBondContact O-CB 3.03Å; A78-L81 PolarHBondContact O-N 3.34Å; L79-L81 VanDerWaalsContact C-N 3.3Å; L81-C103 HydrophobicContact CB-CB 4.28Å; L81-C103 HydrophobicContact CD1-CB 4.12Å; L81-L104 CarbonylContact C-O 3.33Å; L81-L104 VanDerWaalsContact CA-O 3.28Å; L81-L104 WeakPolarHBondContact CA-O 3.42Å; L81-P105 HydrophobicContact CD2-CG 4.37Å |
| 82 | Q | 95.6 | Very high | 93.1 | Very high | 111 Ų | 111 | 82.8 Ų | 82.8 | 52% | 0.519 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 134.9 | 175.6 | -179.2 | 170.1 | 76.4 | 0 | 0 | 110.8 | H84 L104 A106 | Q82-H84 PolarHBondContact O-N 3.04Å; Q82-H84 PolarHBondContact O-ND1 3.01Å; Q82-H84 PolarHBondContact OE1-CE1 3.45Å; Q82-L104 PolarHBondContact N-O 2.92Å; Q82-L104 PolarHBondContact O-N 3.17Å; Q82-L104 VanDerWaalsContact O-N 3.07Å; Q82-A106 HydrophobicContact CB-CB 4.22Å |
| 83 | C | 96.3 | Very high | 93.1 | Very high | 38 Ų | 38 | 85.1 Ų | 85.1 | 26% | 0.257 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 113.3 | 178.2 | -169.4 | 0 | 0 | 0 | 0 | 110.9 | C70 C77 L96 | C70-C83 HydrophobicContact CB-CB 3.95Å; C70-C83 WeakPolarHBondContact CB-SG 3.03Å; C70-C83 PolarHBondContact O-SG 3.21Å; C70-C83 WeakPolarHBondContact SG-CA 3.28Å; C70-C83 WeakPolarHBondContact SG-CB 3.45Å; C70-C83 CovalentContact SG-SG 2.03Å; C70-C83 PolarHBondContact SG-SG 3.33Å; C77-C83 PolarHBondContact SG-N 2.71Å; C83-L96 VanDerWaalsContact SG-CD2 3.59Å |
| 84 | H | 97.1 | Very high | 93.3 | Very high | 46 Ų | 46 | 84.5 Ų | 84.5 | 21% | 0.213 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 147.9 | 176.1 | -82.7 | 67.2 | 0 | 0 | 0 | 110.9 | Q82 G101 R102 L104 | Q82-H84 PolarHBondContact O-N 3.04Å; Q82-H84 PolarHBondContact O-ND1 3.01Å; Q82-H84 PolarHBondContact OE1-CE1 3.45Å; H84-G101 CarbonylContact O-C 3.51Å; H84-G101 WeakPolarHBondContact O-CA 3.47Å; H84-R102 PolarHBondContact N-O 2.85Å; H84-R102 PolarHBondContact O-N 2.93Å; H84-L104 HydrophobicContact CB-CD1 3.84Å; H84-L104 HydrophobicContact CB-CG 4.28Å |
| 85 | P | 96.6 | Very high | 93.6 | Very high | 39 Ų | 39 | 82.7 Ų | 82.7 | 25% | 0.253 | 45% | 0.448 | S | S | . | . | trans | -66.1 | 163.4 | 165.9 | 32.5 | -34.7 | 0 | 0 | 0 | 110.3 | P92 L96 | P85-P92 HydrophobicContact CB-CB 3.71Å; P85-P92 HydrophobicContact CG-CB 3.85Å; P85-L96 HydrophobicContact CB-CD1 4.46Å; P85-L96 HydrophobicContact CB-CG 4.24Å | ||
| 86 | P | 93.9 | Very high | 93.8 | Very high | 49 Ų | 49 | 81.7 Ų | 81.7 | 32% | 0.318 | 44% | 0.44 | S | S | . | . | trans | -60.9 | 139.9 | 165.5 | -12.2 | 26.7 | 0 | 0 | 0 | 109.7 | D88 D89 R100 | P86-D88 VanDerWaalsContact C-N 3.31Å; P86-D88 PolarHBondContact O-N 3.31Å; P86-D89 HydrophobicContact CB-CB 4.12Å; P86-D89 HydrophobicContact CG-CB 4.17Å; P86-D89 PolarHBondContact O-N 3.35Å; P86-R100 WeakPolarHBondContact CG-O 3.27Å | ||
| 87 | E | 88.3 | Confident | 94 | Very high | 163 Ų | 163 | 79.7 Ų | 79.7 | 76% | 0.762 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -30.6 | -170.1 | -60.3 | -166 | 111.8 | 0 | 0 | 113.1 | ||
| 88 | D | 88.7 | Confident | 94 | Very high | 162 Ų | 162 | 84.1 Ų | 84.1 | 87% | 0.866 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 22.8 | 178.5 | -47.2 | -75.5 | 0 | 0 | 0 | 114 | P86 | P86-D88 VanDerWaalsContact C-N 3.31Å; P86-D88 PolarHBondContact O-N 3.31Å |
| 89 | D | 91 | Very high | 94.2 | Very high | 28 Ų | 28 | 83.6 Ų | 83.6 | 15% | 0.15 | 45% | 0.448 | C | S | . | . | trans | -89.1 | 116.3 | -180 | -161.1 | -75.7 | 0 | 0 | 0 | 112.3 | P86 A91 P92 R100 | P86-D89 HydrophobicContact CB-CB 4.12Å; P86-D89 HydrophobicContact CG-CB 4.17Å; P86-D89 PolarHBondContact O-N 3.35Å; D89-A91 PolarHBondContact O-N 2.84Å; D89-A91 VanDerWaalsContact OD1-C 3.24Å; D89-A91 WeakPolarHBondContact OD1-CA 3.32Å; D89-A91 PolarHBondContact OD1-N 3.2Å; D89-P92 WeakPolarHBondContact O-CD 3.45Å; D89-P92 VanDerWaalsContact O-CG 3.27Å; D89-P92 WeakPolarHBondContact O-CG 2.98Å; D89-R100 IonicContact OD1-NH1 3.93Å; D89-R100 IonicContact OD2-CZ 3.17Å; D89-R100 IonicContact OD2-NH1 2.7Å; D89-R100 PolarHBondContact OD2-NH1 3.44Å; D89-R100 IonicContact OD2-NH2 2.71Å; D89-R100 PolarHBondContact OD2-NH2 2.85Å | ||
| 90 | E | 92.8 | Very high | 94.4 | Very high | 195 Ų | 195 | 80.7 Ų | 80.7 | 91% | 0.911 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -57.2 | -14.9 | 177.3 | -67.3 | -73.6 | 101.3 | 0 | 0 | 114.5 | ||
| 91 | A | 94.4 | Very high | 94.6 | Very high | 40 Ų | 40 | 77.9 Ų | 77.9 | 33% | 0.331 | 40% | 0.396 | S | S | . | . | trans | -135.7 | 67.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D89 L93 R94 A95 | D89-A91 PolarHBondContact O-N 2.84Å; D89-A91 VanDerWaalsContact OD1-C 3.24Å; D89-A91 WeakPolarHBondContact OD1-CA 3.32Å; D89-A91 PolarHBondContact OD1-N 3.2Å; A91-L93 VanDerWaalsContact C-N 3.35Å; A91-L93 PolarHBondContact O-N 2.98Å; A91-L93 VanDerWaalsContact O-N 3.16Å; A91-R94 HydrophobicContact CB-CB 3.79Å; A91-R94 CarbonylContact O-C 3.55Å; A91-R94 WeakPolarHBondContact O-CA 3.24Å; A91-R94 WeakPolarHBondContact O-CB 3.4Å; A91-R94 PolarHBondContact O-N 2.92Å; A91-A95 PolarHBondContact O-N 3.49Å | ||
| 92 | P | 94.9 | Very high | 94.7 | Very high | 58 Ų | 58 | 83.4 Ų | 83.4 | 38% | 0.377 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -56.3 | -41.9 | -169 | -26.3 | 35.2 | 0 | 0 | 0 | 114.4 | P85 D89 R94 A95 L96 | P85-P92 HydrophobicContact CB-CB 3.71Å; P85-P92 HydrophobicContact CG-CB 3.85Å; D89-P92 WeakPolarHBondContact O-CD 3.45Å; D89-P92 VanDerWaalsContact O-CG 3.27Å; D89-P92 WeakPolarHBondContact O-CG 2.98Å; P92-R94 VanDerWaalsContact C-N 3.32Å; P92-R94 PolarHBondContact O-N 3.16Å; P92-A95 WeakPolarHBondContact O-CB 3.46Å; P92-A95 PolarHBondContact O-N 3.17Å; P92-L96 WeakPolarHBondContact O-CG 3.49Å; P92-L96 PolarHBondContact O-N 2.9Å |
| 93 | L | 95.8 | Very high | 94.8 | Very high | 138 Ų | 138 | 78.1 Ų | 78.1 | 72% | 0.723 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -66.1 | -33.9 | 176.5 | -63.8 | 177.6 | 0 | 0 | 0 | 112.3 | A91 L97 | A91-L93 VanDerWaalsContact C-N 3.35Å; A91-L93 PolarHBondContact O-N 2.98Å; A91-L93 VanDerWaalsContact O-N 3.16Å; L93-L97 WeakPolarHBondContact O-CD1 3.34Å; L93-L97 VanDerWaalsContact O-CG 3.29Å; L93-L97 WeakPolarHBondContact O-CG 3.49Å; L93-L97 PolarHBondContact O-N 3.06Å |
| 94 | R | 95.4 | Very high | 94.8 | Very high | 175 Ų | 175 | 79.2 Ų | 79.2 | 66% | 0.66 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -73.2 | -38.1 | 176.1 | -167.1 | -178.5 | 178.8 | 98.3 | 0.1 | 110.8 | A91 P92 L97 L98 | A91-R94 HydrophobicContact CB-CB 3.79Å; A91-R94 CarbonylContact O-C 3.55Å; A91-R94 WeakPolarHBondContact O-CA 3.24Å; A91-R94 WeakPolarHBondContact O-CB 3.4Å; A91-R94 PolarHBondContact O-N 2.92Å; P92-R94 VanDerWaalsContact C-N 3.32Å; P92-R94 PolarHBondContact O-N 3.16Å; R94-L97 PolarHBondContact O-N 3.21Å; R94-L98 HydrophobicContact CG-CD1 4.05Å; R94-L98 WeakPolarHBondContact O-CB 3.38Å; R94-L98 VanDerWaalsContact O-CG 3.24Å; R94-L98 WeakPolarHBondContact O-CG 3.5Å; R94-L98 PolarHBondContact O-N 2.88Å |
| 95 | A | 95.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 80.3 Ų | 80.3 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -58.3 | -47.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A91 P92 L98 G99 R100 | A91-A95 PolarHBondContact O-N 3.49Å; P92-A95 WeakPolarHBondContact O-CB 3.46Å; P92-A95 PolarHBondContact O-N 3.17Å; A95-L98 CarbonylContact O-C 3Å; A95-L98 PolarHBondContact O-N 2.99Å; A95-L98 VanDerWaalsContact O-N 3.17Å; A95-G99 PolarHBondContact O-N 3.29Å; A95-R100 HydrophobicContact CB-CB 4.17Å; A95-R100 WeakPolarHBondContact O-CB 3.17Å; A95-R100 PolarHBondContact O-N 3.46Å |
| 96 | L | 96.3 | Very high | 94.2 | Very high | 31 Ų | 31 | 80.7 Ų | 80.7 | 16% | 0.162 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.9 | -37.8 | 176.5 | -71.6 | 172.2 | 0 | 0 | 0 | 113.5 | G71 V72 C83 P85 P92 L98 G99 | G71-L96 CarbonylContact C-O 3.59Å; G71-L96 WeakPolarHBondContact CA-O 3.37Å; V72-L96 HydrophobicContact CG2-CB 4.31Å; V72-L96 PolarHBondContact N-O 3.17Å; C83-L96 VanDerWaalsContact SG-CD2 3.59Å; P85-L96 HydrophobicContact CB-CD1 4.46Å; P85-L96 HydrophobicContact CB-CG 4.24Å; P92-L96 WeakPolarHBondContact O-CG 3.49Å; P92-L96 PolarHBondContact O-N 2.9Å; L96-L98 PolarHBondContact O-N 2.81Å; L96-G99 PolarHBondContact O-N 3.11Å |
| 97 | L | 95.9 | Very high | 93.6 | Very high | 87 Ų | 87 | 88.2 Ų | 88.2 | 46% | 0.455 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.8 | -26.9 | 173.9 | -74.4 | 164.6 | 0 | 0 | 0 | 112.7 | V72 Y73 L93 R94 | V72-L97 HydrophobicContact CB-CD2 4.04Å; V72-L97 HydrophobicContact CG1-CD2 4.19Å; V72-L97 HydrophobicContact CG2-CD2 3.92Å; V72-L97 HydrophobicContact CG2-CG 4.29Å; Y73-L97 HydrophobicContact CE2-CD2 3.69Å; L93-L97 WeakPolarHBondContact O-CD1 3.34Å; L93-L97 VanDerWaalsContact O-CG 3.29Å; L93-L97 WeakPolarHBondContact O-CG 3.49Å; L93-L97 PolarHBondContact O-N 3.06Å; R94-L97 PolarHBondContact O-N 3.21Å |
| 98 | L | 96.1 | Very high | 92.4 | Very high | 113 Ų | 113 | 84.4 Ų | 84.4 | 59% | 0.592 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 4.9 | 178.1 | -67.1 | 171.6 | 0 | 0 | 0 | 114 | R94 A95 L96 R100 | R94-L98 HydrophobicContact CG-CD1 4.05Å; R94-L98 WeakPolarHBondContact O-CB 3.38Å; R94-L98 VanDerWaalsContact O-CG 3.24Å; R94-L98 WeakPolarHBondContact O-CG 3.5Å; R94-L98 PolarHBondContact O-N 2.88Å; A95-L98 CarbonylContact O-C 3Å; A95-L98 PolarHBondContact O-N 2.99Å; A95-L98 VanDerWaalsContact O-N 3.17Å; L96-L98 PolarHBondContact O-N 2.81Å; L98-R100 VanDerWaalsContact C-N 3.3Å; L98-R100 HydrophobicContact CB-CG 4.37Å; L98-R100 PolarHBondContact O-N 3.18Å |
| 99 | G | 95.4 | Very high | 90.6 | Very high | 16 Ų | 16 | 82.2 Ų | 82.2 | 17% | 0.165 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 11.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | C70 A95 L96 | C70-G99 PolarHBondContact N-O 2.89Å; C70-G99 CarbonylContact O-C 3.5Å; C70-G99 WeakPolarHBondContact O-CA 3.29Å; C70-G99 VanDerWaalsContact O-O 3.08Å; A95-G99 PolarHBondContact O-N 3.29Å; L96-G99 PolarHBondContact O-N 3.11Å |
| 100 | R | 96.9 | Very high | 88.4 | Confident | 111 Ų | 111 | 85.9 Ų | 85.9 | 42% | 0.419 | 46% | 0.458 | S | S | . | . | trans | -87.8 | 5.8 | -176.6 | -68.3 | 177.2 | 54.7 | -111.9 | -10.9 | 114.5 | P86 D89 A95 L98 | P86-R100 WeakPolarHBondContact CG-O 3.27Å; D89-R100 IonicContact OD1-NH1 3.93Å; D89-R100 IonicContact OD2-CZ 3.17Å; D89-R100 IonicContact OD2-NH1 2.7Å; D89-R100 PolarHBondContact OD2-NH1 3.44Å; D89-R100 IonicContact OD2-NH2 2.71Å; D89-R100 PolarHBondContact OD2-NH2 2.85Å; A95-R100 HydrophobicContact CB-CB 4.17Å; A95-R100 WeakPolarHBondContact O-CB 3.17Å; A95-R100 PolarHBondContact O-N 3.46Å; L98-R100 VanDerWaalsContact C-N 3.3Å; L98-R100 HydrophobicContact CB-CG 4.37Å; L98-R100 PolarHBondContact O-N 3.18Å | ||
| 101 | G | 96.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 173.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E69 C70 H84 | E69-G101 CarbonylContact C-O 3.46Å; E69-G101 VanDerWaalsContact CA-O 3.26Å; E69-G101 WeakPolarHBondContact CA-O 3.02Å; C70-G101 PolarHBondContact N-O 2.79Å; C70-G101 VanDerWaalsContact O-CA 3.32Å; C70-G101 WeakPolarHBondContact O-CA 3.48Å; C70-G101 PolarHBondContact O-N 3.18Å; H84-G101 CarbonylContact O-C 3.51Å; H84-G101 WeakPolarHBondContact O-CA 3.47Å |
| 102 | R | 96.9 | Very high | 83.7 | Confident | 152 Ų | 152 | 85 Ų | 85 | 57% | 0.574 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 145 | 170.8 | -69.5 | -174.9 | 178.8 | 176.1 | -0.2 | 112.1 | G67 Q68 C70 H84 L104 | G67-R102 WeakPolarHBondContact O-CD 3.36Å; Q68-R102 WeakPolarHBondContact O-CA 3.46Å; C70-R102 VanDerWaalsContact SG-CA 3.55Å; C70-R102 PolarHBondContact SG-N 2.79Å; C70-R102 VanDerWaalsContact SG-N 3.44Å; H84-R102 PolarHBondContact N-O 2.85Å; H84-R102 PolarHBondContact O-N 2.93Å; R102-L104 HydrophobicContact CB-CD2 4.43Å; R102-L104 PolarHBondContact O-N 2.82Å |
| 103 | C | 96.6 | Very high | 81.3 | Confident | 0 Ų | 0 | 90.8 Ų | 90.8 | 0% | 0 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 109.5 | 171.4 | -65 | 0 | 0 | 0 | 0 | 109.7 | R64 R65 E66 G67 Q68 C70 C77 L81 | R64-C103 WeakPolarHBondContact CB-SG 3.42Å; R65-C103 WeakPolarHBondContact O-CB 3.49Å; E66-C103 CarbonylContact C-O 3.06Å; E66-C103 WeakPolarHBondContact CA-O 3.44Å; G67-C103 PolarHBondContact N-O 3.47Å; Q68-C103 PolarHBondContact O-N 2.73Å; Q68-C103 VanDerWaalsContact O-N 3.08Å; C70-C103 PolarHBondContact SG-N 3.07Å; C70-C103 VanDerWaalsContact SG-N 3.44Å; C77-C103 VanDerWaalsContact CA-SG 3.52Å; C77-C103 HydrophobicContact CB-CB 3.7Å; C77-C103 WeakPolarHBondContact CB-SG 3.32Å; C77-C103 WeakPolarHBondContact SG-CA 3.36Å; C77-C103 WeakPolarHBondContact SG-CB 3.13Å; C77-C103 CovalentContact SG-SG 2.04Å; C77-C103 PolarHBondContact SG-SG 2.91Å; L81-C103 HydrophobicContact CB-CB 4.28Å; L81-C103 HydrophobicContact CD1-CB 4.12Å |
| 104 | L | 95.7 | Very high | 78.2 | Confident | 60 Ų | 60 | 92.4 Ų | 92.4 | 31% | 0.314 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 158.2 | 176.6 | -59.4 | -177.3 | 0 | 0 | 0 | 110 | L81 Q82 H84 R102 A106 | L81-L104 CarbonylContact C-O 3.33Å; L81-L104 VanDerWaalsContact CA-O 3.28Å; L81-L104 WeakPolarHBondContact CA-O 3.42Å; Q82-L104 PolarHBondContact N-O 2.92Å; Q82-L104 PolarHBondContact O-N 3.17Å; Q82-L104 VanDerWaalsContact O-N 3.07Å; H84-L104 HydrophobicContact CB-CD1 3.84Å; H84-L104 HydrophobicContact CB-CG 4.28Å; R102-L104 HydrophobicContact CB-CD2 4.43Å; R102-L104 PolarHBondContact O-N 2.82Å; L104-A106 PolarHBondContact O-N 3.37Å |
| 105 | P | 94.9 | Very high | 75.3 | Confident | 69 Ų | 69 | 91 Ų | 91 | 45% | 0.448 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.3 | 128 | 171.5 | -27.1 | 36.3 | 0 | 0 | 0 | 111.5 | E66 L81 R107 | E66-P105 WeakPolarHBondContact OE1-CD 3.26Å; E66-P105 WeakPolarHBondContact OE1-CG 3.07Å; L81-P105 HydrophobicContact CD2-CG 4.37Å; P105-R107 PolarHBondContact O-N 3.12Å |
| 106 | A | 87.8 | Confident | 73.2 | Confident | 48 Ų | 48 | 94.8 Ų | 94.8 | 40% | 0.397 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 120.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | G80 Q82 L104 A108 | G80-A106 WeakPolarHBondContact O-CB 2.99Å; G80-A106 PolarHBondContact O-N 2.93Å; Q82-A106 HydrophobicContact CB-CB 4.22Å; L104-A106 PolarHBondContact O-N 3.37Å; A106-A108 PolarHBondContact O-N 2.04Å; A106-A108 VanDerWaalsContact O-N 3.08Å |
| 107 | R | 80.4 | Confident | 70.3 | Confident | 207 Ų | 207 | 102.5 Ų | 102.5 | 78% | 0.781 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 119.6 | -178.9 | -66.6 | -175.2 | -177.4 | -171.2 | 1 | 109 | P105 | P105-R107 PolarHBondContact O-N 3.12Š|
| 108 | A | 63.3 | Low | 67.4 | Low | 83 Ų | 83 | 106.3 Ų | 106.3 | 69% | 0.686 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 145.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110 | A106 A110 | A106-A108 PolarHBondContact O-N 2.04Å; A106-A108 VanDerWaalsContact O-N 3.08Å; A108-A110 PolarHBondContact O-N 2.74Å |
| 109 | P | 51.8 | Low | 64.7 | Low | 115 Ų | 115 | 107.1 Ų | 107.1 | 75% | 0.747 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 126.9 | 172 | 26 | -33.5 | 0 | 0 | 0 | 108.7 | V111 | P109-V111 PolarHBondContact O-N 2.99Š|
| 110 | A | 44.6 | Very low | 61.7 | Low | 105 Ų | 105 | 114 Ų | 114 | 87% | 0.868 | 61% | 0.614 | S | S | * | * | trans | -70.1 | 91.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | A108 | A108-A110 PolarHBondContact O-N 2.74Š| ||
| 111 | V | 44.5 | Very low | 58.8 | Low | 134 Ų | 134 | 115.9 Ų | 115.9 | 81% | 0.812 | 63% | 0.632 | S | S | * | * | trans | -68.9 | 126.7 | 155.2 | -173.4 | 0 | 0 | 0 | 0 | 106.5 | P109 | P109-V111 PolarHBondContact O-N 2.99Š| ||
| 112 | A | 44.4 | Very low | 55.9 | Low | 83 Ų | 83 | 123.2 Ų | 123.2 | 69% | 0.686 | 67% | 0.666 | S | S | * | * | trans | -81.4 | 146.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 113 | E | 43.3 | Very low | 52.7 | Low | 180 Ų | 180 | 120.6 Ų | 120.6 | 84% | 0.841 | 68% | 0.677 | S | S | * | * | trans | 60.6 | 139.7 | -179.2 | -45.1 | -63.6 | 67.2 | 0 | 0 | 114.2 | ||||
| 114 | E | 31.2 | Very low | 49.6 | Very low | 172 Ų | 172 | 124.4 Ų | 124.4 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | cis | -148.8 | 156.9 | 20.3 | -170.5 | -168.3 | 105.3 | 0 | 0 | 110.4 | ||||
| 115 | N | 35 | Very low | 46.6 | Very low | 146 Ų | 146 | 129 Ų | 129 | 78% | 0.781 | 75% | 0.746 | S | S | * | * | trans | -122.7 | 133.3 | 161.4 | -161.4 | -96.2 | 0 | 0 | 0 | 105.9 | ||||
| 116 | P | 50 | Low | 43.5 | Very low | 79 Ų | 79 | 129.2 Ų | 129.2 | 51% | 0.513 | 76% | 0.762 | S | S | . | * | -158.5 | 156.1 | 62.4 | 40.7 | -19.6 | 0 | 0 | 0 | 119.2 | |||||
| 117 | K | 35.2 | Very low | 40.9 | Very low | 192 Ų | 192 | 138.5 Ų | 138.5 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | 179.5 | 137.5 | 106.1 | -97.6 | 161.3 | -172.7 | 171.1 | 0 | 116.6 | |||||
| 118 | E | 35.5 | Very low | 39.1 | Very low | 168 Ų | 168 | 133.2 Ų | 133.2 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -35.5 | 147 | 161.1 | 178.9 | 174 | 82 | 0 | 0 | 117 | ||||
| 119 | S | 38.7 | Very low | 37.7 | Very low | 129 Ų | 129 | 138.6 Ų | 138.6 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | trans | -150.1 | 137.8 | 154.7 | -79 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 120 | K | 33.1 | Very low | 37 | Very low | 160 Ų | 160 | 140.7 Ų | 140.7 | 70% | 0.696 | 80% | 0.795 | S | S | * | * | trans | -138 | 120.3 | -158.8 | 170.5 | -169.8 | 172.2 | -177.9 | 0 | 112.7 | ||||
| 121 | L | 36.3 | Very low | 36.7 | Very low | 152 Ų | 152 | 140.5 Ų | 140.5 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | trans | -152.5 | 105 | 156.1 | -137.1 | 61.1 | 0 | 0 | 0 | 106.3 | ||||
| 122 | Q | 35.9 | Very low | 36.4 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 72% | 0.715 | 79% | 0.794 | S | S | * | * | 48.8 | 136.1 | 93.4 | -60.1 | -176.9 | 66.9 | 0 | 0 | 113.3 | |||||
| 123 | A | 28.9 | Very low | 36 | Very low | 97 Ų | 97 | 148.8 Ų | 148.8 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | cis | 167.7 | 140.2 | -14.1 | 0 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 124 | G | 31 | Very low | 35.4 | Very low | 80 Ų | 80 | 150.6 Ų | 150.6 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -153.4 | 121.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 125 | T | 32.9 | Very low | 35.5 | Very low | 156 Ų | 156 | 148.1 Ų | 148.1 | 96% | 0.957 | 80% | 0.795 | S | S | * | * | trans | -101.9 | 132.5 | -165.2 | -48.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 126 | G | 28.9 | Very low | 35.8 | Very low | 75 Ų | 75 | 150.8 Ų | 150.8 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | -169.3 | 106.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 127 | R | 34.3 | Very low | 35.4 | Very low | 243 Ų | 243 | 155.1 Ų | 155.1 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | trans | -165.9 | 160 | 171.1 | -132.9 | -168.2 | 175.4 | -177.4 | -1.1 | 108.2 | ||||
| 128 | P | 41.9 | Very low | 35.5 | Very low | 96 Ų | 96 | 154.6 Ų | 154.6 | 62% | 0.623 | 81% | 0.814 | S | S | * | * | cis | -114.9 | 177.1 | -21.5 | 40.5 | -28.9 | 0 | 0 | 0 | 111.9 | ||||
| 129 | Q | 33.8 | Very low | 35.9 | Very low | 196 Ų | 196 | 154.3 Ų | 154.3 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | trans | -142.3 | 122.8 | 150.3 | -73.5 | -162.3 | -1.1 | 0 | 0 | 111.1 | ||||
| 130 | D | 37.6 | Very low | 35.9 | Very low | 158 Ų | 158 | 153.2 Ų | 153.2 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | -90.4 | 137.5 | 169.1 | -76.8 | -84.5 | 0 | 0 | 0 | 110.6 | ||||
| 131 | A | 37.8 | Very low | 35.9 | Very low | 101 Ų | 101 | 148.6 Ų | 148.6 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -149 | 79.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | R133 | A131-R133 PolarHBondContact O-N 3.18Š| ||
| 132 | N | 39.2 | Very low | 35.7 | Very low | 154 Ų | 154 | 147.9 Ų | 147.9 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | trans | -63.7 | 121.3 | 170.8 | 170.4 | 4 | 0 | 0 | 0 | 111.1 | R134 | N132-R134 PolarHBondContact OD1-N 2.96Š| ||
| 133 | R | 35.8 | Very low | 35.8 | Very low | 238 Ų | 238 | 145.5 Ų | 145.5 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | trans | -145.1 | 79 | 158.9 | -142.3 | 171.5 | -170 | -175.4 | 1.7 | 116.4 | A131 | A131-R133 PolarHBondContact O-N 3.18Š| ||
| 134 | R | 31.4 | Very low | 36 | Very low | 217 Ų | 217 | 146.8 Ų | 146.8 | 82% | 0.819 | 81% | 0.806 | S | S | * | * | 54.3 | 102.8 | 126.3 | -162.9 | -180 | -150.1 | -163.4 | 7.8 | 119.1 | N132 | N132-R134 PolarHBondContact OD1-N 2.96Š| |||
| 135 | N | 32.2 | Very low | 36.4 | Very low | 120 Ų | 120 | 149.2 Ų | 149.2 | 64% | 0.642 | 81% | 0.805 | S | S | * | * | trans | 38.7 | 117.3 | 132.7 | -175.9 | 8.2 | 0 | 0 | 0 | 119.2 | Q137 | N135-Q137 PolarHBondContact OD1-N 3.14Š| ||
| 136 | Q | 40.6 | Very low | 36.9 | Very low | 202 Ų | 202 | 147.2 Ų | 147.2 | 94% | 0.944 | 80% | 0.795 | S | S | * | * | trans | -137 | 86.1 | 142.5 | -118.8 | 178.9 | 112.4 | 0 | 0 | 112.3 | ||||
| 137 | Q | 43.3 | Very low | 37.2 | Very low | 171 Ų | 171 | 148.3 Ų | 148.3 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | trans | -70.3 | 126 | 170.4 | -176.5 | 161.4 | 18.3 | 0 | 0 | 110.9 | N135 | N135-Q137 PolarHBondContact OD1-N 3.14Š| ||
| 138 | K | 36.6 | Very low | 37.8 | Very low | 181 Ų | 181 | 145.5 Ų | 145.5 | 79% | 0.787 | 79% | 0.788 | S | S | * | * | trans | -147.6 | 70.8 | 171.6 | -160.6 | 177 | -179.2 | -179.9 | 0 | 114.1 | ||||
| 139 | N | 44.4 | Very low | 38 | Very low | 161 Ų | 161 | 145.8 Ų | 145.8 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | trans | -96.6 | 132.9 | 144.4 | -82.6 | 6.5 | 0 | 0 | 0 | 108.3 | ||||
| 140 | P | 37.5 | Very low | 38.8 | Very low | 106 Ų | 106 | 144.3 Ų | 144.3 | 69% | 0.688 | 79% | 0.788 | S | S | * | * | trans | -113.1 | 143.2 | 147.3 | -2.5 | 23.7 | 0 | 0 | 0 | 111.3 | ||||
| 141 | G | 33.6 | Very low | 39.2 | Very low | 64 Ų | 64 | 142 Ų | 142 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | trans | -82.1 | -155 | 152.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 142 | T | 32.1 | Very low | 39.8 | Very low | 137 Ų | 137 | 142.3 Ų | 142.3 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | cis | -171 | 159.4 | 0.8 | -4.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 143 | S | 39 | Very low | 40.4 | Very low | 102 Ų | 102 | 138.1 Ų | 138.1 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | cis | -120.9 | -110.3 | 3.1 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 144 | T | 32.9 | Very low | 41 | Very low | 125 Ų | 125 | 133.8 Ų | 133.8 | 77% | 0.767 | 78% | 0.78 | S | S | * | * | cis | -153.4 | 128.3 | 1.9 | -55.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 145 | T | 39.5 | Very low | 42 | Very low | 131 Ų | 131 | 131.2 Ų | 131.2 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -87.6 | 149.5 | 176.3 | -32.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 146 | P | 42.5 | Very low | 42.8 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -137.3 | 124.9 | 130.6 | 24.7 | -6 | 0 | 0 | 0 | 114.9 | ||||
| 147 | S | 34.7 | Very low | 43.7 | Very low | 99 Ų | 99 | 128 Ų | 128 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | trans | 58 | 109.8 | 134.1 | -51.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 148 | Q | 47.1 | Very low | 45.1 | Very low | 184 Ų | 184 | 128.7 Ų | 128.7 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | 69.5 | 161.9 | 144 | -83.9 | -179.1 | -101.3 | 0 | 0 | 120.5 | ||||
| 149 | P | 46.3 | Very low | 47.1 | Very low | 101 Ų | 101 | 124 Ų | 124 | 66% | 0.656 | 76% | 0.755 | S | S | * | * | cis | -117.6 | 175.6 | -15.5 | 24 | -3 | 0 | 0 | 0 | 113.1 | S151 | P149-S151 PolarHBondContact O-N 3.44Š| ||
| 150 | N | 51.5 | Low | 49.3 | Very low | 166 Ų | 166 | 116.7 Ų | 116.7 | 89% | 0.888 | 72% | 0.718 | S | S | * | * | trans | -62.1 | 132.7 | 170.3 | -67.4 | -35.2 | 0 | 0 | 0 | 111.3 | ||||
| 151 | S | 44.8 | Very low | 52.1 | Low | 110 Ų | 110 | 114 Ų | 114 | 77% | 0.769 | 70% | 0.701 | S | S | * | * | trans | -125.1 | 96.7 | 159.1 | -72 | 0 | 0 | 0 | 0 | 108.9 | P149 | P149-S151 PolarHBondContact O-N 3.44Š| ||
| 152 | A | 50 | Low | 55.1 | Low | 107 Ų | 107 | 110.9 Ų | 110.9 | 88% | 0.884 | 67% | 0.669 | S | S | * | * | trans | -67.6 | 141.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 153 | G | 53.5 | Low | 58.2 | Low | 65 Ų | 65 | 109.2 Ų | 109.2 | 67% | 0.67 | 65% | 0.647 | S | S | * | * | trans | 110.7 | 46.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q155 | G153-Q155 PolarHBondContact O-N 3.38Š| ||
| 154 | V | 47.3 | Very low | 60.8 | Low | 148 Ų | 148 | 112.3 Ų | 112.3 | 90% | 0.897 | 64% | 0.643 | S | S | * | * | trans | -59.4 | 123.6 | 150.4 | 178.9 | 0 | 0 | 0 | 0 | 106.3 | D156 | V154-D156 PolarHBondContact O-N 2.75Å; V154-D156 VanDerWaalsContact O-N 3.11Å | ||
| 155 | Q | 53.7 | Low | 63.7 | Low | 163 Ų | 163 | 109.5 Ų | 109.5 | 76% | 0.762 | 62% | 0.622 | S | S | * | * | trans | -75.5 | 103.5 | -160 | -72.7 | -164.1 | 90.6 | 0 | 0 | 113.3 | G153 T157 | G153-Q155 PolarHBondContact O-N 3.38Å; Q155-T157 PolarHBondContact O-N 2.81Å | ||
| 156 | D | 49.3 | Very low | 66.3 | Low | 140 Ų | 140 | 104.6 Ų | 104.6 | 75% | 0.749 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 62 | 169.2 | -160.4 | -26.2 | 0 | 0 | 0 | 111.1 | V154 | V154-D156 PolarHBondContact O-N 2.75Å; V154-D156 VanDerWaalsContact O-N 3.11Å |
| 157 | T | 57.9 | Low | 68.7 | Low | 113 Ų | 113 | 101.9 Ų | 101.9 | 69% | 0.693 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.6 | -4.3 | 179 | 33.9 | 0 | 0 | 0 | 0 | 113.8 | Q155 M159 | Q155-T157 PolarHBondContact O-N 2.81Å; T157-M159 PolarHBondContact O-N 2.97Å |
| 158 | E | 72.9 | Confident | 71.4 | Confident | 187 Ų | 187 | 100.6 Ų | 100.6 | 87% | 0.874 | 56% | 0.561 | S | S | * | * | trans | -76.2 | -11.7 | 170.4 | -152.3 | -178.2 | 124.4 | 0 | 0 | 112.5 | G160 | E158-G160 PolarHBondContact O-N 2.9Š| ||
| 159 | M | 79.3 | Confident | 73.5 | Confident | 81 Ų | 81 | 92.1 Ų | 92.1 | 40% | 0.399 | 52% | 0.521 | S | S | . | . | trans | -82.2 | 103.3 | -170.9 | -155.7 | 75.7 | -79.1 | 0 | 0 | 113.9 | T157 R163 R164 | T157-M159 PolarHBondContact O-N 2.97Å; M159-R163 HydrophobicContact CE-CB 3.84Å; M159-R163 HydrophobicContact CE-CG 3.6Å; M159-R163 HydrophobicContact CG-CB 4.07Å; M159-R163 HydrophobicContact CG-CG 3.88Å; M159-R163 HydrophobicContact SD-CB 4.09Å; M159-R163 HydrophobicContact SD-CG 3.42Å; M159-R163 WeakPolarHBondContact SD-CG 3.25Å; M159-R164 HydrophobicContact CB-CG 4.05Å; M159-R164 HydrophobicContact CG-CG 3.96Å; M159-R164 VanDerWaalsContact O-CD 3.25Å; M159-R164 WeakPolarHBondContact O-CD 3.42Å; M159-R164 WeakPolarHBondContact O-CG 3.37Å | ||
| 160 | G | 91 | Very high | 75.5 | Confident | 8 Ų | 8 | 90.7 Ų | 90.7 | 8% | 0.082 | 51% | 0.508 | C | S | . | . | trans | -56.5 | 159.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116 | E158 C162 R163 R164 G193 | E158-G160 PolarHBondContact O-N 2.9Å; G160-C162 PolarHBondContact O-N 3.3Å; G160-R163 PolarHBondContact O-N 3.46Å; G160-R164 PolarHBondContact O-N 2.04Å; G160-R164 VanDerWaalsContact O-N 3.12Å; G160-G193 CarbonylContact C-O 3.52Å; G160-G193 WeakPolarHBondContact CA-O 3.4Å | ||
| 161 | P | 95.6 | Very high | 77.2 | Confident | 49 Ų | 49 | 89.3 Ų | 89.3 | 32% | 0.318 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.4 | -26.3 | -165.5 | 27.5 | -36.2 | 0 | 0 | 0 | 114.9 | F194 Y195 | P161-F194 HydrophobicContact CG-CD1 3.88Å; P161-F194 HydrophobicContact CG-CE1 4.03Å; P161-Y195 HydrophobicContact CB-CE2 4.38Å |
| 162 | C | 96.9 | Very high | 79 | Confident | 0 Ų | 0 | 89 Ų | 89 | 0% | 0 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -73.7 | -40.9 | 172.1 | -175.7 | 0 | 0 | 0 | 0 | 110.9 | G160 H165 L166 C189 G193 F194 Y195 | G160-C162 PolarHBondContact O-N 3.3Å; C162-H165 WeakPolarHBondContact O-CB 3.47Å; C162-H165 PolarHBondContact O-N 3.05Å; C162-L166 PolarHBondContact O-N 2.84Å; C162-C189 HydrophobicContact CB-CB 3.76Å; C162-C189 WeakPolarHBondContact CB-SG 3.48Å; C162-C189 PolarHBondContact O-SG 3.4Å; C162-C189 VanDerWaalsContact O-SG 3.37Å; C162-C189 WeakPolarHBondContact SG-CA 3.42Å; C162-C189 WeakPolarHBondContact SG-CB 3.38Å; C162-C189 CovalentContact SG-SG 2.04Å; C162-C189 PolarHBondContact SG-SG 2.98Å; C162-G193 WeakPolarHBondContact CA-O 3.4Å; C162-G193 WeakPolarHBondContact CB-O 3.49Å; C162-G193 PolarHBondContact N-O 3.38Å; C162-F194 WeakPolarHBondContact CB-O 3.43Å; C162-Y195 VanDerWaalsContact CA-CE2 3.48Å; C162-Y195 HydrophobicContact CB-CD1 3.83Å; C162-Y195 HydrophobicContact CB-CD2 3.53Å; C162-Y195 HydrophobicContact CB-CE1 3.98Å; C162-Y195 HydrophobicContact CB-CE2 3.71Å; C162-Y195 HydrophobicContact CB-CG 3.61Å; C162-Y195 WeakPolarHBondContact SG-CD1 3.34Å |
| 163 | R | 95.9 | Very high | 80.3 | Confident | 101 Ų | 101 | 87 Ų | 87 | 38% | 0.381 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.6 | -43.5 | -176.1 | -174.7 | 60.5 | -160.2 | -130.8 | 9.1 | 111.6 | M159 G160 H165 L166 D167 G193 | M159-R163 HydrophobicContact CE-CB 3.84Å; M159-R163 HydrophobicContact CE-CG 3.6Å; M159-R163 HydrophobicContact CG-CB 4.07Å; M159-R163 HydrophobicContact CG-CG 3.88Å; M159-R163 HydrophobicContact SD-CB 4.09Å; M159-R163 HydrophobicContact SD-CG 3.42Å; M159-R163 WeakPolarHBondContact SD-CG 3.25Å; G160-R163 PolarHBondContact O-N 3.46Å; R163-H165 PolarHBondContact O-N 3.27Å; R163-L166 WeakPolarHBondContact O-CA 3.06Å; R163-L166 WeakPolarHBondContact O-CB 3.06Å; R163-L166 PolarHBondContact O-N 3.11Å; R163-D167 WeakPolarHBondContact CG-OD2 3.21Å; R163-D167 IonicContact CZ-OD1 3.51Å; R163-D167 VanDerWaalsContact CZ-OD1 3.28Å; R163-D167 IonicContact CZ-OD2 3.28Å; R163-D167 VanDerWaalsContact NE-CG 3.29Å; R163-D167 IonicContact NE-OD1 3.77Å; R163-D167 PolarHBondContact NE-OD1 2.83Å; R163-D167 IonicContact NE-OD2 3.47Å; R163-D167 PolarHBondContact NE-OD2 3.36Å; R163-D167 IonicContact NH2-OD1 2.68Å; R163-D167 PolarHBondContact NH2-OD1 2.95Å; R163-D167 IonicContact NH2-OD2 2.74Å; R163-D167 PolarHBondContact O-N 2.04Å; R163-D167 VanDerWaalsContact O-OD2 3.04Å; R163-G193 PolarHBondContact N-O 3.27Å |
| 164 | R | 94.9 | Very high | 81.4 | Confident | 167 Ų | 167 | 91.3 Ų | 91.3 | 63% | 0.63 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -57.2 | -34.6 | 171.8 | -69.3 | -178 | 61.2 | -101.3 | -6.5 | 113.5 | M159 G160 S168 | M159-R164 HydrophobicContact CB-CG 4.05Å; M159-R164 HydrophobicContact CG-CG 3.96Å; M159-R164 VanDerWaalsContact O-CD 3.25Å; M159-R164 WeakPolarHBondContact O-CD 3.42Å; M159-R164 WeakPolarHBondContact O-CG 3.37Å; G160-R164 PolarHBondContact O-N 2.04Å; G160-R164 VanDerWaalsContact O-N 3.12Å; R164-S168 PolarHBondContact O-N 2.92Å |
| 165 | H | 94.3 | Very high | 82.6 | Confident | 67 Ų | 67 | 87.5 Ų | 87.5 | 31% | 0.31 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -73.5 | -41.2 | 173.1 | -179.9 | -166 | 0 | 0 | 0 | 111.8 | C162 R163 S168 V169 P187 Y195 | C162-H165 WeakPolarHBondContact O-CB 3.47Å; C162-H165 PolarHBondContact O-N 3.05Å; R163-H165 PolarHBondContact O-N 3.27Å; H165-S168 PolarHBondContact O-N 3.12Å; H165-V169 WeakPolarHBondContact O-CG2 3.39Å; H165-V169 PolarHBondContact O-N 3.35Å; H165-P187 HydrophobicContact CB-CG 4.47Å; H165-Y195 WeakPolarHBondContact CB-OH 3.44Å; H165-Y195 AromaticContact ND1-CE1 3.93Å; H165-Y195 AromaticContact ND1-CZ 3.82Å; H165-Y195 PolarHBondContact ND1-OH 3.34Å |
| 166 | L | 93.9 | Very high | 83 | Confident | 27 Ų | 27 | 86.4 Ų | 86.4 | 14% | 0.141 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -58.4 | -49.2 | 175.5 | 179.9 | 58.6 | 0 | 0 | 0 | 111.7 | C162 R163 S168 V169 L170 V186 P187 | C162-L166 PolarHBondContact O-N 2.84Å; R163-L166 WeakPolarHBondContact O-CA 3.06Å; R163-L166 WeakPolarHBondContact O-CB 3.06Å; R163-L166 PolarHBondContact O-N 3.11Å; L166-S168 VanDerWaalsContact C-N 3.31Å; L166-S168 PolarHBondContact O-N 3.24Å; L166-V169 PolarHBondContact O-N 3.03Å; L166-L170 HydrophobicContact CD1-CD1 4.11Å; L166-L170 HydrophobicContact CD1-CG 4.12Å; L166-L170 HydrophobicContact CG-CD1 3.92Å; L166-L170 HydrophobicContact CG-CG 4.37Å; L166-L170 WeakPolarHBondContact O-CB 3.39Å; L166-L170 VanDerWaalsContact O-CG 3.29Å; L166-L170 WeakPolarHBondContact O-CG 3.4Å; L166-L170 PolarHBondContact O-N 2.89Å; L166-V186 HydrophobicContact CD1-CG1 3.5Å; L166-P187 HydrophobicContact CB-CG 3.96Å; L166-P187 HydrophobicContact CD1-CG 4.2Å |
| 167 | D | 93 | Very high | 83.7 | Confident | 57 Ų | 57 | 85.8 Ų | 85.8 | 31% | 0.305 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.7 | -35.3 | -178.3 | -63 | -48.9 | 0 | 0 | 0 | 111.5 | R163 L170 Q171 | R163-D167 WeakPolarHBondContact CG-OD2 3.21Å; R163-D167 IonicContact CZ-OD1 3.51Å; R163-D167 VanDerWaalsContact CZ-OD1 3.28Å; R163-D167 IonicContact CZ-OD2 3.28Å; R163-D167 VanDerWaalsContact NE-CG 3.29Å; R163-D167 IonicContact NE-OD1 3.77Å; R163-D167 PolarHBondContact NE-OD1 2.83Å; R163-D167 IonicContact NE-OD2 3.47Å; R163-D167 PolarHBondContact NE-OD2 3.36Å; R163-D167 IonicContact NH2-OD1 2.68Å; R163-D167 PolarHBondContact NH2-OD1 2.95Å; R163-D167 IonicContact NH2-OD2 2.74Å; R163-D167 PolarHBondContact O-N 2.04Å; R163-D167 VanDerWaalsContact O-OD2 3.04Å; D167-L170 PolarHBondContact O-N 3.42Å; D167-Q171 WeakPolarHBondContact O-CB 3.11Å; D167-Q171 PolarHBondContact O-N 2.83Å |
| 168 | S | 90.9 | Very high | 83.9 | Confident | 72 Ų | 72 | 82.3 Ų | 82.3 | 50% | 0.503 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 170.9 | 179.8 | 0 | 0 | 0 | 0 | 112.7 | R164 H165 L166 Q171 Q172 | R164-S168 PolarHBondContact O-N 2.92Å; H165-S168 PolarHBondContact O-N 3.12Å; L166-S168 VanDerWaalsContact C-N 3.31Å; L166-S168 PolarHBondContact O-N 3.24Å; S168-Q171 PolarHBondContact O-N 2.93Å; S168-Q172 PolarHBondContact O-N 3.21Å |
| 169 | V | 90 | Very high | 83.3 | Confident | 6 Ų | 6 | 83.2 Ų | 83.2 | 4% | 0.036 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 175.1 | 166.6 | 0 | 0 | 0 | 0 | 111.6 | H165 L166 Q172 L173 L184 V186 | H165-V169 WeakPolarHBondContact O-CG2 3.39Å; H165-V169 PolarHBondContact O-N 3.35Å; L166-V169 PolarHBondContact O-N 3.03Å; V169-Q172 PolarHBondContact O-N 3.18Å; V169-L173 HydrophobicContact CG1-CD1 4.03Å; V169-L173 WeakPolarHBondContact O-CG 3.04Å; V169-L173 PolarHBondContact O-N 3.28Å; V169-L184 HydrophobicContact CG1-CD1 4.22Å; V169-L184 HydrophobicContact CG1-CD2 3.96Å; V169-L184 HydrophobicContact CG2-CD2 4.43Å; V169-V186 HydrophobicContact CG1-CG2 4.28Å |
| 170 | L | 88.4 | Confident | 82.3 | Confident | 71 Ų | 71 | 82.7 Ų | 82.7 | 37% | 0.372 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.5 | -40 | 176.9 | -70.7 | 172.2 | 0 | 0 | 0 | 111.8 | L166 D167 L173 Q174 | L166-L170 HydrophobicContact CD1-CD1 4.11Å; L166-L170 HydrophobicContact CD1-CG 4.12Å; L166-L170 HydrophobicContact CG-CD1 3.92Å; L166-L170 HydrophobicContact CG-CG 4.37Å; L166-L170 WeakPolarHBondContact O-CB 3.39Å; L166-L170 VanDerWaalsContact O-CG 3.29Å; L166-L170 WeakPolarHBondContact O-CG 3.4Å; L166-L170 PolarHBondContact O-N 2.89Å; D167-L170 PolarHBondContact O-N 3.42Å; L170-L173 HydrophobicContact CD2-CD1 4.43Å; L170-L173 PolarHBondContact O-N 2.85Å; L170-Q174 WeakPolarHBondContact O-CG 3Å; L170-Q174 PolarHBondContact O-N 3.41Å; L170-Q174 VanDerWaalsContact O-N 3.13Å |
| 171 | Q | 87.5 | Confident | 80.7 | Confident | 137 Ų | 137 | 86.7 Ų | 86.7 | 64% | 0.64 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -68.4 | -35 | 175.2 | -172.2 | 154.8 | 81.5 | 0 | 0 | 112.2 | D167 S168 Q174 | D167-Q171 WeakPolarHBondContact O-CB 3.11Å; D167-Q171 PolarHBondContact O-N 2.83Å; S168-Q171 PolarHBondContact O-N 2.93Å; Q171-Q174 PolarHBondContact O-N 3.13Å |
| 172 | Q | 82.6 | Confident | 79.1 | Confident | 103 Ų | 103 | 91.2 Ų | 91.2 | 48% | 0.481 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.5 | -38.8 | 170.8 | -173 | 175.9 | -13 | 0 | 0 | 112.1 | S168 V169 Q174 T175 | S168-Q172 PolarHBondContact O-N 3.21Å; V169-Q172 PolarHBondContact O-N 3.18Å; Q172-Q174 PolarHBondContact O-N 3.32Å; Q172-T175 WeakPolarHBondContact O-CB 3.09Å; Q172-T175 PolarHBondContact O-N 3.35Å; Q172-T175 VanDerWaalsContact O-N 3.1Å; Q172-T175 PolarHBondContact O-OG1 3.39Å |
| 173 | L | 77.1 | Confident | 77.6 | Confident | 66 Ų | 66 | 93.9 Ų | 93.9 | 35% | 0.346 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66 | -22.4 | 175.3 | -76.3 | 165.8 | 0 | 0 | 0 | 113.8 | V169 L170 T175 Y178 L184 V186 | V169-L173 HydrophobicContact CG1-CD1 4.03Å; V169-L173 WeakPolarHBondContact O-CG 3.04Å; V169-L173 PolarHBondContact O-N 3.28Å; L170-L173 HydrophobicContact CD2-CD1 4.43Å; L170-L173 PolarHBondContact O-N 2.85Å; L173-T175 VanDerWaalsContact C-N 3.26Å; L173-Y178 HydrophobicContact CD2-CD1 3.52Å; L173-Y178 HydrophobicContact CD2-CE1 4.14Å; L173-Y178 HydrophobicContact CD2-CG 3.94Å; L173-L184 HydrophobicContact CD1-CD1 4.35Å; L173-L184 HydrophobicContact CD2-CB 4.43Å; L173-L184 HydrophobicContact CD2-CD1 3.57Å; L173-L184 HydrophobicContact CG-CD1 3.67Å; L173-V186 HydrophobicContact CD1-CG2 4.26Å |
| 174 | Q | 76.2 | Confident | 76.6 | Confident | 155 Ų | 155 | 90.5 Ų | 90.5 | 72% | 0.724 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -13.5 | 173 | -71.9 | 169.9 | -8.7 | 0 | 0 | 113 | L170 Q171 Q172 | L170-Q174 WeakPolarHBondContact O-CG 3Å; L170-Q174 PolarHBondContact O-N 3.41Å; L170-Q174 VanDerWaalsContact O-N 3.13Å; Q171-Q174 PolarHBondContact O-N 3.13Å; Q172-Q174 PolarHBondContact O-N 3.32Å |
| 175 | T | 73.8 | Confident | 76.2 | Confident | 67 Ų | 67 | 84.6 Ų | 84.6 | 41% | 0.411 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -77.6 | 138.4 | 174.5 | 71.9 | 0 | 0 | 0 | 0 | 111 | Q172 L173 V177 Y178 | Q172-T175 WeakPolarHBondContact O-CB 3.09Å; Q172-T175 PolarHBondContact O-N 3.35Å; Q172-T175 VanDerWaalsContact O-N 3.1Å; Q172-T175 PolarHBondContact O-OG1 3.39Å; L173-T175 VanDerWaalsContact C-N 3.26Å; T175-V177 PolarHBondContact O-N 2.91Å; T175-Y178 PolarHBondContact O-N 3.11Å; T175-Y178 VanDerWaalsContact O-N 3.13Å |
| 176 | E | 62.2 | Low | 76.1 | Confident | 140 Ų | 140 | 84.4 Ų | 84.4 | 65% | 0.654 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -62.7 | -19 | -172.7 | -55.6 | -154.7 | 109 | 0 | 0 | 114.1 | Y178 R179 | E176-Y178 PolarHBondContact O-N 2.89Å; E176-Y178 VanDerWaalsContact O-N 3.15Å; E176-R179 PolarHBondContact O-N 2.86Å; E176-R179 IonicContact OE1-CZ 2.85Å; E176-R179 IonicContact OE1-NH1 2.99Å; E176-R179 PolarHBondContact OE1-NH1 3.47Å; E176-R179 IonicContact OE1-NH2 3.8Å; E176-R179 PolarHBondContact OE1-NH2 2.94Å |
| 177 | V | 64.3 | Low | 76.2 | Confident | 127 Ų | 127 | 83.2 Ų | 83.2 | 77% | 0.77 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -54.7 | -28.4 | 174.8 | -174.5 | 0 | 0 | 0 | 0 | 112.4 | T175 | T175-V177 PolarHBondContact O-N 2.91Š|
| 178 | Y | 61.8 | Low | 76.3 | Confident | 40 Ų | 40 | 83.7 Ų | 83.7 | 16% | 0.157 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -91.2 | 9.1 | -171.7 | -131.7 | -85.4 | 0 | 0 | 0 | 116.2 | L173 T175 E176 G180 Q182 L184 | L173-Y178 HydrophobicContact CD2-CD1 3.52Å; L173-Y178 HydrophobicContact CD2-CE1 4.14Å; L173-Y178 HydrophobicContact CD2-CG 3.94Å; T175-Y178 PolarHBondContact O-N 3.11Å; T175-Y178 VanDerWaalsContact O-N 3.13Å; E176-Y178 PolarHBondContact O-N 2.89Å; E176-Y178 VanDerWaalsContact O-N 3.15Å; Y178-G180 PolarHBondContact O-N 2.92Å; Y178-Q182 HydrophobicContact CE1-CB 4.34Å; Y178-Q182 VanDerWaalsContact CE1-O 3.31Å; Y178-Q182 WeakPolarHBondContact CE1-O 3.36Å; Y178-Q182 HydrophobicContact CE2-CB 4.29Å; Y178-Q182 WeakPolarHBondContact OH-CB 3.25Å; Y178-Q182 PolarHBondContact OH-O 2.98Å; Y178-L184 HydrophobicContact CD1-CD1 4.18Å; Y178-L184 HydrophobicContact CD2-CD1 4.05Å; Y178-L184 HydrophobicContact CE1-CB 3.58Å; Y178-L184 HydrophobicContact CE1-CD1 3.87Å; Y178-L184 HydrophobicContact CE1-CG 3.93Å; Y178-L184 HydrophobicContact CE2-CB 4.46Å; Y178-L184 HydrophobicContact CE2-CD1 3.72Å; Y178-L184 HydrophobicContact CE2-CG 3.91Å; Y178-L184 HydrophobicContact CG-CD1 4.28Å; Y178-L184 VanDerWaalsContact CZ-CG 3.46Å; Y178-L184 WeakPolarHBondContact OH-CA 3.47Å; Y178-L184 VanDerWaalsContact OH-CB 3.31Å; Y178-L184 WeakPolarHBondContact OH-CB 3.28Å; Y178-L184 WeakPolarHBondContact OH-CG 3.45Å; Y178-L184 PolarHBondContact OH-N 3.23Å; Y178-L184 VanDerWaalsContact OH-N 3.08Å |
| 179 | R | 60.6 | Low | 76.5 | Confident | 206 Ų | 206 | 81.3 Ų | 81.3 | 78% | 0.777 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -68.7 | 24.3 | -176.2 | -79 | -166.3 | 177.4 | 118.8 | 0.8 | 117.1 | E176 | E176-R179 PolarHBondContact O-N 2.86Å; E176-R179 IonicContact OE1-CZ 2.85Å; E176-R179 IonicContact OE1-NH1 2.99Å; E176-R179 PolarHBondContact OE1-NH1 3.47Å; E176-R179 IonicContact OE1-NH2 3.8Å; E176-R179 PolarHBondContact OE1-NH2 2.94Å |
| 180 | G | 56.6 | Low | 76.7 | Confident | 71 Ų | 71 | 83 Ų | 83 | 73% | 0.732 | 44% | 0.442 | S | S | * | . | S | Bend | trans | 150.2 | -3.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | Y178 | Y178-G180 PolarHBondContact O-N 2.92Š|
| 181 | A | 58.1 | Low | 76.9 | Confident | 92 Ų | 92 | 88.4 Ų | 88.4 | 76% | 0.76 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -84.8 | -17.1 | -166.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 182 | Q | 61.9 | Low | 77.1 | Confident | 143 Ų | 143 | 89 Ų | 89 | 67% | 0.668 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -146.9 | 155.4 | -168.4 | -70.3 | -176.6 | 10.8 | 0 | 0 | 113.1 | Y178 L184 | Y178-Q182 HydrophobicContact CE1-CB 4.34Å; Y178-Q182 VanDerWaalsContact CE1-O 3.31Å; Y178-Q182 WeakPolarHBondContact CE1-O 3.36Å; Y178-Q182 HydrophobicContact CE2-CB 4.29Å; Y178-Q182 WeakPolarHBondContact OH-CB 3.25Å; Y178-Q182 PolarHBondContact OH-O 2.98Å; Q182-L184 PolarHBondContact O-N 3Å |
| 183 | T | 65.7 | Low | 77.7 | Confident | 56 Ų | 56 | 84.3 Ų | 84.3 | 34% | 0.344 | 44% | 0.441 | S | S | . | . | trans | -93.3 | 76.8 | -179.5 | 44.1 | 0 | 0 | 0 | 0 | 112.1 | Q204 | T183-Q204 HydrophobicContact CG2-CB 4.37Å; T183-Q204 HydrophobicContact CG2-CG 4.3Å | ||
| 184 | L | 75 | Confident | 78.6 | Confident | 31 Ų | 31 | 83.7 Ų | 83.7 | 16% | 0.162 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 141.6 | 175.8 | -123.7 | 175.3 | 0 | 0 | 0 | 111.1 | V169 L173 Y178 Q182 S202 | V169-L184 HydrophobicContact CG1-CD1 4.22Å; V169-L184 HydrophobicContact CG1-CD2 3.96Å; V169-L184 HydrophobicContact CG2-CD2 4.43Å; L173-L184 HydrophobicContact CD1-CD1 4.35Å; L173-L184 HydrophobicContact CD2-CB 4.43Å; L173-L184 HydrophobicContact CD2-CD1 3.57Å; L173-L184 HydrophobicContact CG-CD1 3.67Å; Y178-L184 HydrophobicContact CD1-CD1 4.18Å; Y178-L184 HydrophobicContact CD2-CD1 4.05Å; Y178-L184 HydrophobicContact CE1-CB 3.58Å; Y178-L184 HydrophobicContact CE1-CD1 3.87Å; Y178-L184 HydrophobicContact CE1-CG 3.93Å; Y178-L184 HydrophobicContact CE2-CB 4.46Å; Y178-L184 HydrophobicContact CE2-CD1 3.72Å; Y178-L184 HydrophobicContact CE2-CG 3.91Å; Y178-L184 HydrophobicContact CG-CD1 4.28Å; Y178-L184 VanDerWaalsContact CZ-CG 3.46Å; Y178-L184 WeakPolarHBondContact OH-CA 3.47Å; Y178-L184 VanDerWaalsContact OH-CB 3.31Å; Y178-L184 WeakPolarHBondContact OH-CB 3.28Å; Y178-L184 WeakPolarHBondContact OH-CG 3.45Å; Y178-L184 PolarHBondContact OH-N 3.23Å; Y178-L184 VanDerWaalsContact OH-N 3.08Å; Q182-L184 PolarHBondContact O-N 3Å; L184-S202 PolarHBondContact O-OG 3.39Å |
| 185 | Y | 86.7 | Confident | 79.5 | Confident | 43 Ų | 43 | 77.6 Ų | 77.6 | 17% | 0.169 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -92.4 | 119.8 | 171.2 | 158.3 | -118.5 | 0 | 0 | 0 | 108.9 | P187 Q199 C200 W212 | Y185-P187 HydrophobicContact CE1-CB 4.15Å; Y185-Q199 HydrophobicContact CE2-CB 4.09Å; Y185-Q199 WeakPolarHBondContact OH-CG 3.4Å; Y185-Q199 PolarHBondContact OH-NE2 2.68Å; Y185-C200 WeakPolarHBondContact CD2-O 3.22Å; Y185-W212 AromaticContact CD2-CH2 3.64Å; Y185-W212 HydrophobicContact CD2-CH2 3.64Å; Y185-W212 HydrophobicContact CD2-CZ2 4.09Å; Y185-W212 HydrophobicContact CE1-CZ2 4.31Å; Y185-W212 AromaticContact CE2-CH2 3.65Å; Y185-W212 HydrophobicContact CE2-CH2 3.65Å; Y185-W212 AromaticContact CE2-CZ2 3.68Å; Y185-W212 HydrophobicContact CE2-CZ2 3.68Å; Y185-W212 HydrophobicContact CG-CH2 4.22Å; Y185-W212 AromaticContact CZ-CZ2 3.79Å |
| 186 | V | 92.4 | Very high | 80.5 | Confident | 62 Ų | 62 | 80.9 Ų | 80.9 | 38% | 0.376 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -96.8 | 117.4 | 173.1 | -180 | 0 | 0 | 0 | 0 | 108.3 | L166 V169 L173 N188 | L166-V186 HydrophobicContact CD1-CG1 3.5Å; V169-V186 HydrophobicContact CG1-CG2 4.28Å; L173-V186 HydrophobicContact CD1-CG2 4.26Å; V186-N188 PolarHBondContact O-N 2.96Å |
| 187 | P | 94.9 | Very high | 81.9 | Confident | 3 Ų | 3 | 77.5 Ų | 77.5 | 2% | 0.019 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 127.5 | -176.7 | 28.6 | -34.1 | 0 | 0 | 0 | 111.8 | H165 L166 Y185 Y195 | H165-P187 HydrophobicContact CB-CG 4.47Å; L166-P187 HydrophobicContact CB-CG 3.96Å; L166-P187 HydrophobicContact CD1-CG 4.2Å; Y185-P187 HydrophobicContact CE1-CB 4.15Å; P187-Y195 HydrophobicContact CB-CD1 4.44Å; P187-Y195 HydrophobicContact CB-CE1 3.95Å |
| 188 | N | 95.4 | Very high | 83.2 | Confident | 67 Ų | 67 | 78 Ų | 78 | 36% | 0.358 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -82.5 | 119 | 174.8 | 172.8 | 31.9 | 0 | 0 | 0 | 109.9 | V186 R196 R198 Q199 | V186-N188 PolarHBondContact O-N 2.96Å; N188-R196 PolarHBondContact O-N 3.1Å; N188-R196 WeakPolarHBondContact OD1-CD 3.08Å; N188-R198 PolarHBondContact ND2-O 3.15Å; N188-Q199 PolarHBondContact O-NE2 2.87Å; N188-Q199 PolarHBondContact O-OE1 3.17Å |
| 189 | C | 96 | Very high | 84.6 | Confident | 22 Ų | 22 | 76 Ų | 76 | 15% | 0.149 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -115.1 | 157.7 | -173.6 | -49.8 | 0 | 0 | 0 | 0 | 112.4 | C162 F194 R196 | C162-C189 HydrophobicContact CB-CB 3.76Å; C162-C189 WeakPolarHBondContact CB-SG 3.48Å; C162-C189 PolarHBondContact O-SG 3.4Å; C162-C189 VanDerWaalsContact O-SG 3.37Å; C162-C189 WeakPolarHBondContact SG-CA 3.42Å; C162-C189 WeakPolarHBondContact SG-CB 3.38Å; C162-C189 CovalentContact SG-SG 2.04Å; C162-C189 PolarHBondContact SG-SG 2.98Å; C189-F194 CarbonylContact C-O 3.6Å; C189-F194 VanDerWaalsContact CA-O 3.25Å; C189-F194 WeakPolarHBondContact CA-O 3.49Å; C189-R196 WeakPolarHBondContact O-CD 3.26Å |
| 190 | D | 94.1 | Very high | 86 | Confident | 41 Ų | 41 | 68.3 Ų | 68.3 | 22% | 0.219 | 35% | 0.351 | C | S | . | . | trans | -85.9 | 176.7 | 168.3 | 74.7 | 12.7 | 0 | 0 | 0 | 112.2 | R192 G193 F194 R196 | D190-R192 PolarHBondContact O-N 3.21Å; D190-R192 VanDerWaalsContact O-N 3.17Å; D190-R192 WeakPolarHBondContact OD1-CA 3.42Å; D190-R192 WeakPolarHBondContact OD1-CB 3.49Å; D190-R192 PolarHBondContact OD1-N 3.42Å; D190-G193 PolarHBondContact O-N 3.29Å; D190-G193 PolarHBondContact OD1-N 3.28Å; D190-G193 VanDerWaalsContact OD1-N 3.12Å; D190-F194 PolarHBondContact N-O 2.84Å; D190-F194 PolarHBondContact OD1-N 3.18Å; D190-R196 HydrophobicContact CB-CG 4.15Å | ||
| 191 | H | 92.1 | Very high | 87.5 | Confident | 184 Ų | 184 | 71.2 Ų | 71.2 | 85% | 0.852 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -9.4 | -179.2 | 64.1 | -95.9 | 0 | 0 | 0 | 113.9 | ||
| 192 | R | 91.1 | Very high | 88.8 | Confident | 151 Ų | 151 | 69.3 Ų | 69.3 | 57% | 0.57 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 6 | 174.8 | -61.6 | -177.8 | 60.4 | 176.5 | -3.5 | 112.1 | D190 F194 | D190-R192 PolarHBondContact O-N 3.21Å; D190-R192 VanDerWaalsContact O-N 3.17Å; D190-R192 WeakPolarHBondContact OD1-CA 3.42Å; D190-R192 WeakPolarHBondContact OD1-CB 3.49Å; D190-R192 PolarHBondContact OD1-N 3.42Å; R192-F194 VanDerWaalsContact C-N 3.31Å; R192-F194 HydrophobicContact CB-CD2 3.76Å; R192-F194 HydrophobicContact CB-CE2 4.19Å; R192-F194 WeakPolarHBondContact O-CD2 3.29Å; R192-F194 PolarHBondContact O-N 3.45Å |
| 193 | G | 94.9 | Very high | 89.8 | Confident | 4 Ų | 4 | 66.4 Ų | 66.4 | 4% | 0.041 | 32% | 0.317 | C | S | . | . | S | Bend | trans | 72.6 | 18 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | G160 C162 R163 D190 | G160-G193 CarbonylContact C-O 3.52Å; G160-G193 WeakPolarHBondContact CA-O 3.4Å; C162-G193 WeakPolarHBondContact CA-O 3.4Å; C162-G193 WeakPolarHBondContact CB-O 3.49Å; C162-G193 PolarHBondContact N-O 3.38Å; R163-G193 PolarHBondContact N-O 3.27Å; D190-G193 PolarHBondContact O-N 3.29Å; D190-G193 PolarHBondContact OD1-N 3.28Å; D190-G193 VanDerWaalsContact OD1-N 3.12Å |
| 194 | F | 96.2 | Very high | 90.6 | Very high | 53 Ų | 53 | 70.7 Ų | 70.7 | 23% | 0.232 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -92.4 | 163.5 | 170.9 | -69.9 | -93 | 0 | 0 | 0 | 111 | P161 C162 C189 D190 R192 R216 M217 | P161-F194 HydrophobicContact CG-CD1 3.88Å; P161-F194 HydrophobicContact CG-CE1 4.03Å; C162-F194 WeakPolarHBondContact CB-O 3.43Å; C189-F194 CarbonylContact C-O 3.6Å; C189-F194 VanDerWaalsContact CA-O 3.25Å; C189-F194 WeakPolarHBondContact CA-O 3.49Å; D190-F194 PolarHBondContact N-O 2.84Å; D190-F194 PolarHBondContact OD1-N 3.18Å; R192-F194 VanDerWaalsContact C-N 3.31Å; R192-F194 HydrophobicContact CB-CD2 3.76Å; R192-F194 HydrophobicContact CB-CE2 4.19Å; R192-F194 WeakPolarHBondContact O-CD2 3.29Å; R192-F194 PolarHBondContact O-N 3.45Å; F194-R216 HydrophobicContact CB-CB 4.32Å; F194-R216 HydrophobicContact CD1-CB 4.15Å; F194-M217 HydrophobicContact CD1-SD 3.95Å; F194-M217 HydrophobicContact CE1-SD 4.02Å |
| 195 | Y | 95.6 | Very high | 90.9 | Very high | 26 Ų | 26 | 72.5 Ų | 72.5 | 10% | 0.102 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -73.2 | 136.5 | 179.8 | -68.4 | -95.8 | 0 | 0 | 0 | 110.3 | P161 C162 H165 P187 R216 M217 G218 | P161-Y195 HydrophobicContact CB-CE2 4.38Å; C162-Y195 VanDerWaalsContact CA-CE2 3.48Å; C162-Y195 HydrophobicContact CB-CD1 3.83Å; C162-Y195 HydrophobicContact CB-CD2 3.53Å; C162-Y195 HydrophobicContact CB-CE1 3.98Å; C162-Y195 HydrophobicContact CB-CE2 3.71Å; C162-Y195 HydrophobicContact CB-CG 3.61Å; C162-Y195 WeakPolarHBondContact SG-CD1 3.34Å; H165-Y195 WeakPolarHBondContact CB-OH 3.44Å; H165-Y195 AromaticContact ND1-CE1 3.93Å; H165-Y195 AromaticContact ND1-CZ 3.82Å; H165-Y195 PolarHBondContact ND1-OH 3.34Å; P187-Y195 HydrophobicContact CB-CD1 4.44Å; P187-Y195 HydrophobicContact CB-CE1 3.95Å; Y195-R216 WeakPolarHBondContact CD2-O 3.15Å; Y195-R216 PolarHBondContact N-O 2.96Å; Y195-M217 WeakPolarHBondContact CD2-O 3.34Å; Y195-M217 VanDerWaalsContact CE2-O 3.22Å; Y195-M217 WeakPolarHBondContact CE2-O 3.2Å; Y195-G218 VanDerWaalsContact CG-CA 3.45Å |
| 196 | R | 94.4 | Very high | 90.6 | Very high | 136 Ų | 136 | 80 Ų | 80 | 51% | 0.513 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 146.9 | 171.1 | -68.9 | -178.6 | 119.7 | 169.5 | -1.3 | 109.5 | N188 C189 D190 R198 Q199 V214 | N188-R196 PolarHBondContact O-N 3.1Å; N188-R196 WeakPolarHBondContact OD1-CD 3.08Å; C189-R196 WeakPolarHBondContact O-CD 3.26Å; D190-R196 HydrophobicContact CB-CG 4.15Å; R196-R198 PolarHBondContact O-N 3.13Å; R196-Q199 PolarHBondContact O-OE1 2.93Å; R196-V214 WeakPolarHBondContact O-CG2 3.49Å |
| 197 | K | 91.9 | Very high | 90 | Very high | 70 Ų | 70 | 86.9 Ų | 86.9 | 30% | 0.304 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -54.4 | -19.6 | -176.9 | -86.6 | -163.2 | 167.8 | -166.2 | 0 | 115.5 | C213 V214 C233 P234 T235 G236 | K197-C213 CarbonylContact O-C 3.58Å; K197-C213 WeakPolarHBondContact O-CA 3.13Å; K197-V214 PolarHBondContact O-N 2.89Å; K197-C233 HydrophobicContact CB-CB 4.23Å; K197-C233 PolarHBondContact O-SG 2.71Å; K197-P234 PolarHBondContact NZ-O 3.16Å; K197-T235 VanDerWaalsContact NZ-C 3.34Å; K197-T235 PolarHBondContact NZ-O 3.16Å; K197-G236 PolarHBondContact NZ-O 3.2Å |
| 198 | R | 90.9 | Very high | 89.5 | Confident | 136 Ų | 136 | 96.3 Ų | 96.3 | 51% | 0.513 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 111.2 | -179.7 | -174.5 | 175.2 | 62 | -154.3 | -3.7 | 111 | N188 R196 C211 | N188-R198 PolarHBondContact ND2-O 3.15Å; R196-R198 PolarHBondContact O-N 3.13Å; R198-C211 HydrophobicContact CG-CB 4.36Å |
| 199 | Q | 92.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 93.6 Ų | 93.6 | 0% | 0 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 155.7 | 174.7 | -54.8 | -56 | 81 | 0 | 0 | 109.7 | Y185 N188 R196 C211 W212 V214 | Y185-Q199 HydrophobicContact CE2-CB 4.09Å; Y185-Q199 WeakPolarHBondContact OH-CG 3.4Å; Y185-Q199 PolarHBondContact OH-NE2 2.68Å; N188-Q199 PolarHBondContact O-NE2 2.87Å; N188-Q199 PolarHBondContact O-OE1 3.17Å; R196-Q199 PolarHBondContact O-OE1 2.93Å; Q199-C211 CarbonylContact O-C 3.5Å; Q199-C211 WeakPolarHBondContact O-CA 3.47Å; Q199-C211 VanDerWaalsContact O-CB 3.26Å; Q199-C211 WeakPolarHBondContact O-CB 3.42Å; Q199-W212 HydrophobicContact CB-CD2 4.24Å; Q199-W212 HydrophobicContact CB-CH2 4.3Å; Q199-W212 HydrophobicContact CB-CZ2 3.71Å; Q199-W212 PolarHBondContact N-O 3Å; Q199-W212 PolarHBondContact O-N 3.48Å; Q199-V214 HydrophobicContact CG-CG1 3.99Å; Q199-V214 HydrophobicContact CG-CG2 3.63Å |
| 200 | C | 90 | Very high | 88.4 | Confident | 43 Ų | 43 | 95.4 Ų | 95.4 | 29% | 0.291 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 147.2 | 178.1 | -60.9 | 0 | 0 | 0 | 0 | 110.1 | Y185 P210 C211 | Y185-C200 WeakPolarHBondContact CD2-O 3.22Å; C200-P210 WeakPolarHBondContact CA-O 3.46Å; C200-C211 HydrophobicContact CB-CB 4.05Å; C200-C211 WeakPolarHBondContact CB-SG 3.45Å; C200-C211 WeakPolarHBondContact SG-CB 3.43Å; C200-C211 CovalentContact SG-SG 2.04Å; C200-C211 PolarHBondContact SG-SG 3.45Å |
| 201 | R | 88.2 | Confident | 88.2 | Confident | 133 Ų | 133 | 94.9 Ų | 94.9 | 50% | 0.502 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 151.8 | 166.1 | -105.6 | 176.7 | 156.4 | 178.4 | -6.9 | 110.5 | G209 P210 W212 | R201-G209 WeakPolarHBondContact O-CA 3.35Å; R201-P210 HydrophobicContact CB-CG 4.26Å; R201-P210 PolarHBondContact N-O 3.49Å; R201-W212 HydrophobicContact CB-CZ3 4.17Å; R201-W212 HydrophobicContact CG-CH2 4.18Å; R201-W212 HydrophobicContact CG-CZ3 4.03Å |
| 202 | S | 84.1 | Confident | 88.1 | Confident | 52 Ų | 52 | 88.2 Ų | 88.2 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 145.2 | 171.9 | -56 | 0 | 0 | 0 | 0 | 111.1 | L184 | L184-S202 PolarHBondContact O-OG 3.39Š|
| 203 | S | 83.3 | Confident | 88.1 | Confident | 81 Ų | 81 | 81.6 Ų | 81.6 | 57% | 0.566 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 140.9 | 176.1 | 45.5 | 0 | 0 | 0 | 0 | 111.9 | R207 | S203-R207 CarbonylContact C-O 3.55Å; S203-R207 VanDerWaalsContact CA-O 3.3Å; S203-R207 WeakPolarHBondContact CA-O 3.37Å; S203-R207 WeakPolarHBondContact CB-O 3.3Å |
| 204 | Q | 82 | Confident | 88 | Confident | 146 Ų | 146 | 81.5 Ų | 81.5 | 68% | 0.682 | 39% | 0.391 | S | S | * | . | B | Isolated β-bridge | trans | -109 | 99.1 | 175.4 | -169.1 | 171.9 | -2.5 | 0 | 0 | 108.7 | T183 Q206 R207 | T183-Q204 HydrophobicContact CG2-CB 4.37Å; T183-Q204 HydrophobicContact CG2-CG 4.3Å; Q204-Q206 PolarHBondContact O-N 2.72Å; Q204-R207 PolarHBondContact N-O 3.42Å; Q204-R207 PolarHBondContact O-N 3.08Å |
| 205 | G | 81.5 | Confident | 87.8 | Confident | 70 Ų | 70 | 80.6 Ų | 80.6 | 72% | 0.722 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | -130.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | R207 | G205-R207 PolarHBondContact O-N 3.35Š|
| 206 | Q | 80.4 | Confident | 87.7 | Confident | 199 Ų | 199 | 85.4 Ų | 85.4 | 93% | 0.93 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -10.5 | 179.9 | -66.6 | -66.2 | -44.8 | 0 | 0 | 114.4 | Q204 | Q204-Q206 PolarHBondContact O-N 2.72Š|
| 207 | R | 81.6 | Confident | 87.7 | Confident | 207 Ų | 207 | 83.8 Ų | 83.8 | 78% | 0.781 | 41% | 0.407 | S | S | * | . | B | Isolated β-bridge | trans | -93.7 | 120.4 | -178.7 | -62.6 | -168.5 | 73.7 | 173.2 | 1.9 | 111.2 | S203 Q204 G205 G209 | S203-R207 CarbonylContact C-O 3.55Å; S203-R207 VanDerWaalsContact CA-O 3.3Å; S203-R207 WeakPolarHBondContact CA-O 3.37Å; S203-R207 WeakPolarHBondContact CB-O 3.3Å; Q204-R207 PolarHBondContact N-O 3.42Å; Q204-R207 PolarHBondContact O-N 3.08Å; G205-R207 PolarHBondContact O-N 3.35Å; R207-G209 PolarHBondContact O-N 2.81Å |
| 208 | R | 82.6 | Confident | 87.7 | Confident | 201 Ų | 201 | 81.6 Ų | 81.6 | 76% | 0.758 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 130.9 | 166 | -176 | 178.9 | -179.6 | 162.8 | 3.8 | 109.3 | ||
| 209 | G | 83.8 | Confident | 87.8 | Confident | 10 Ų | 10 | 82 Ų | 82 | 10% | 0.103 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 153.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | R201 R207 | R201-G209 WeakPolarHBondContact O-CA 3.35Å; R207-G209 PolarHBondContact O-N 2.81Å |
| 210 | P | 86.1 | Confident | 87.6 | Confident | 61 Ų | 61 | 86.6 Ų | 86.6 | 40% | 0.396 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 148.8 | 178.5 | 27.1 | -35 | 0 | 0 | 0 | 111.1 | C200 R201 | C200-P210 WeakPolarHBondContact CA-O 3.46Å; R201-P210 HydrophobicContact CB-CG 4.26Å; R201-P210 PolarHBondContact N-O 3.49Å |
| 211 | C | 88.4 | Confident | 87.5 | Confident | 29 Ų | 29 | 85.8 Ų | 85.8 | 20% | 0.196 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 144.7 | 173.6 | -56.4 | 0 | 0 | 0 | 0 | 109.9 | R198 Q199 C200 | R198-C211 HydrophobicContact CG-CB 4.36Å; Q199-C211 CarbonylContact O-C 3.5Å; Q199-C211 WeakPolarHBondContact O-CA 3.47Å; Q199-C211 VanDerWaalsContact O-CB 3.26Å; Q199-C211 WeakPolarHBondContact O-CB 3.42Å; C200-C211 HydrophobicContact CB-CB 4.05Å; C200-C211 WeakPolarHBondContact CB-SG 3.45Å; C200-C211 WeakPolarHBondContact SG-CB 3.43Å; C200-C211 CovalentContact SG-SG 2.04Å; C200-C211 PolarHBondContact SG-SG 3.45Å |
| 212 | W | 90 | Very high | 87 | Confident | 44 Ų | 44 | 85.5 Ų | 85.5 | 17% | 0.167 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 166.1 | 179.6 | 64.2 | 98.3 | 0 | 0 | 0 | 110.1 | Y185 Q199 R201 | Y185-W212 AromaticContact CD2-CH2 3.64Å; Y185-W212 HydrophobicContact CD2-CH2 3.64Å; Y185-W212 HydrophobicContact CD2-CZ2 4.09Å; Y185-W212 HydrophobicContact CE1-CZ2 4.31Å; Y185-W212 AromaticContact CE2-CH2 3.65Å; Y185-W212 HydrophobicContact CE2-CH2 3.65Å; Y185-W212 AromaticContact CE2-CZ2 3.68Å; Y185-W212 HydrophobicContact CE2-CZ2 3.68Å; Y185-W212 HydrophobicContact CG-CH2 4.22Å; Y185-W212 AromaticContact CZ-CZ2 3.79Å; Q199-W212 HydrophobicContact CB-CD2 4.24Å; Q199-W212 HydrophobicContact CB-CH2 4.3Å; Q199-W212 HydrophobicContact CB-CZ2 3.71Å; Q199-W212 PolarHBondContact N-O 3Å; Q199-W212 PolarHBondContact O-N 3.48Å; R201-W212 HydrophobicContact CB-CZ3 4.17Å; R201-W212 HydrophobicContact CG-CH2 4.18Å; R201-W212 HydrophobicContact CG-CZ3 4.03Å |
| 213 | C | 91.7 | Very high | 86.2 | Confident | 13 Ų | 13 | 87 Ų | 87 | 9% | 0.088 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 144.6 | -179.7 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | K197 P220 L221 S224 C233 | K197-C213 CarbonylContact O-C 3.58Å; K197-C213 WeakPolarHBondContact O-CA 3.13Å; C213-P220 WeakPolarHBondContact O-CA 3.38Å; C213-L221 HydrophobicContact CB-CB 4.3Å; C213-L221 HydrophobicContact CB-CD1 4.03Å; C213-L221 HydrophobicContact CB-CG 4.34Å; C213-L221 PolarHBondContact O-N 3.44Å; C213-S224 PolarHBondContact N-OG 3.45Å; C213-C233 HydrophobicContact CB-CB 3.71Å; C213-C233 WeakPolarHBondContact CB-SG 3.42Å; C213-C233 WeakPolarHBondContact SG-CA 3.5Å; C213-C233 WeakPolarHBondContact SG-CB 3.37Å; C213-C233 CovalentContact SG-SG 2.04Å; C213-C233 PolarHBondContact SG-SG 3.42Å |
| 214 | V | 92.8 | Very high | 85.1 | Confident | 1 Ų | 1 | 84.5 Ų | 84.5 | 1% | 0.006 | 45% | 0.453 | C | S | . | . | B | Isolated β-bridge | trans | -136.5 | 160.9 | -179.5 | -60.4 | 0 | 0 | 0 | 0 | 112.9 | R196 K197 Q199 K219 | R196-V214 WeakPolarHBondContact O-CG2 3.49Å; K197-V214 PolarHBondContact O-N 2.89Å; Q199-V214 HydrophobicContact CG-CG1 3.99Å; Q199-V214 HydrophobicContact CG-CG2 3.63Å; V214-K219 CarbonylContact C-O 3.5Å; V214-K219 WeakPolarHBondContact CA-O 3.4Å; V214-K219 WeakPolarHBondContact CB-O 3.06Å |
| 215 | D | 92.4 | Very high | 84.1 | Confident | 35 Ų | 35 | 81.3 Ų | 81.3 | 19% | 0.187 | 45% | 0.445 | C | S | . | . | trans | -74.2 | 177.3 | 162.9 | 75.4 | 6.9 | 0 | 0 | 0 | 112.1 | M217 G218 K219 L221 | D215-M217 PolarHBondContact O-N 3.14Å; D215-M217 VanDerWaalsContact O-N 3.11Å; D215-M217 VanDerWaalsContact OD1-C 3.22Å; D215-M217 VanDerWaalsContact OD1-CA 3.28Å; D215-M217 WeakPolarHBondContact OD1-CA 3.33Å; D215-M217 WeakPolarHBondContact OD1-CB 3.31Å; D215-M217 PolarHBondContact OD1-N 3.33Å; D215-G218 PolarHBondContact O-N 3.44Å; D215-G218 VanDerWaalsContact O-N 3.11Å; D215-G218 PolarHBondContact OD1-N 3.48Å; D215-K219 PolarHBondContact N-O 3.35Å; D215-K219 PolarHBondContact OD1-N 3.18Å; D215-L221 HydrophobicContact CB-CD2 4.14Å | ||
| 216 | R | 93 | Very high | 83 | Confident | 126 Ų | 126 | 84.6 Ų | 84.6 | 48% | 0.475 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -16.4 | 178.1 | -67.8 | -177.4 | -176.4 | -124.9 | 7.9 | 114 | F194 Y195 | F194-R216 HydrophobicContact CB-CB 4.32Å; F194-R216 HydrophobicContact CD1-CB 4.15Å; Y195-R216 WeakPolarHBondContact CD2-O 3.15Å; Y195-R216 PolarHBondContact N-O 2.96Å |
| 217 | M | 94 | Very high | 81.8 | Confident | 103 Ų | 103 | 77.3 Ų | 77.3 | 51% | 0.507 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 1.8 | -178.9 | -86 | 56.9 | 67.2 | 0 | 0 | 112.3 | F194 Y195 D215 | F194-M217 HydrophobicContact CD1-SD 3.95Å; F194-M217 HydrophobicContact CE1-SD 4.02Å; Y195-M217 WeakPolarHBondContact CD2-O 3.34Å; Y195-M217 VanDerWaalsContact CE2-O 3.22Å; Y195-M217 WeakPolarHBondContact CE2-O 3.2Å; D215-M217 PolarHBondContact O-N 3.14Å; D215-M217 VanDerWaalsContact O-N 3.11Å; D215-M217 VanDerWaalsContact OD1-C 3.22Å; D215-M217 VanDerWaalsContact OD1-CA 3.28Å; D215-M217 WeakPolarHBondContact OD1-CA 3.33Å; D215-M217 WeakPolarHBondContact OD1-CB 3.31Å; D215-M217 PolarHBondContact OD1-N 3.33Å |
| 218 | G | 92.6 | Very high | 80.3 | Confident | 24 Ų | 24 | 73.4 Ų | 73.4 | 25% | 0.247 | 42% | 0.419 | C | S | . | . | S | Bend | trans | 88.7 | 5.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y195 D215 | Y195-G218 VanDerWaalsContact CG-CA 3.45Å; D215-G218 PolarHBondContact O-N 3.44Å; D215-G218 VanDerWaalsContact O-N 3.11Å; D215-G218 PolarHBondContact OD1-N 3.48Å |
| 219 | K | 92.6 | Very high | 78.9 | Confident | 145 Ų | 145 | 67.8 Ų | 67.8 | 63% | 0.63 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -74 | 132.1 | 175.4 | -61.2 | -175.9 | 176.3 | 179.2 | 0 | 109.9 | V214 D215 | V214-K219 CarbonylContact C-O 3.5Å; V214-K219 WeakPolarHBondContact CA-O 3.4Å; V214-K219 WeakPolarHBondContact CB-O 3.06Å; D215-K219 PolarHBondContact N-O 3.35Å; D215-K219 PolarHBondContact OD1-N 3.18Å |
| 220 | P | 89.6 | Confident | 77.4 | Confident | 96 Ų | 96 | 72 Ų | 72 | 62% | 0.623 | 45% | 0.451 | S | S | * | . | B | Isolated β-bridge | trans | -56.6 | 139 | 175.2 | -26.2 | 35.4 | 0 | 0 | 0 | 112.9 | C213 | C213-P220 WeakPolarHBondContact O-CA 3.38Å |
| 221 | L | 87 | Confident | 76.2 | Confident | 26 Ų | 26 | 73.3 Ų | 73.3 | 14% | 0.136 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -81.2 | 137.7 | 175.2 | -62.2 | -177.6 | 0 | 0 | 0 | 110.6 | C213 D215 G223 S224 P234 | C213-L221 HydrophobicContact CB-CB 4.3Å; C213-L221 HydrophobicContact CB-CD1 4.03Å; C213-L221 HydrophobicContact CB-CG 4.34Å; C213-L221 PolarHBondContact O-N 3.44Å; D215-L221 HydrophobicContact CB-CD2 4.14Å; L221-G223 PolarHBondContact O-N 3.32Å; L221-S224 PolarHBondContact O-N 3.4Å; L221-S224 PolarHBondContact O-OG 3.07Å; L221-P234 HydrophobicContact CD1-CG 4.1Å |
| 222 | P | 76.7 | Confident | 75.4 | Confident | 126 Ų | 126 | 77 Ų | 77 | 82% | 0.818 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 136.7 | 177.2 | 26.8 | -34.3 | 0 | 0 | 0 | 110.7 | S224 | P222-S224 PolarHBondContact O-N 3.03Š|
| 223 | G | 67.3 | Low | 75 | Confident | 83 Ų | 83 | 75.7 Ų | 75.7 | 86% | 0.856 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 2.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | L221 P225 | L221-G223 PolarHBondContact O-N 3.32Å; G223-P225 WeakPolarHBondContact O-CD 3.31Å |
| 224 | S | 60.7 | Low | 74.2 | Confident | 29 Ų | 29 | 78.5 Ų | 78.5 | 20% | 0.203 | 50% | 0.504 | C | S | . | . | trans | -77.6 | 116.7 | 166.4 | 72.1 | 0 | 0 | 0 | 0 | 109.9 | C213 L221 P222 | C213-S224 PolarHBondContact N-OG 3.45Å; L221-S224 PolarHBondContact O-N 3.4Å; L221-S224 PolarHBondContact O-OG 3.07Å; P222-S224 PolarHBondContact O-N 3.03Å | ||
| 225 | P | 60.6 | Low | 72.9 | Confident | 80 Ų | 80 | 85 Ų | 85 | 52% | 0.519 | 54% | 0.543 | S | S | . | . | trans | -72.9 | 140.3 | -178 | 29.9 | -34.9 | 0 | 0 | 0 | 111.4 | G223 G227 | G223-P225 WeakPolarHBondContact O-CD 3.31Å; P225-G227 PolarHBondContact O-N 3.5Å | ||
| 226 | D | 58.3 | Low | 71.5 | Confident | 139 Ų | 139 | 85.6 Ų | 85.6 | 74% | 0.743 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | 91.3 | 175.1 | -77 | -59.7 | 0 | 0 | 0 | 111.8 | ||
| 227 | G | 55.8 | Low | 69.3 | Low | 46 Ų | 46 | 84.9 Ų | 84.9 | 47% | 0.474 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 95.4 | 28.2 | 158.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | P225 | P225-G227 PolarHBondContact O-N 3.5Š|
| 228 | N | 51.2 | Low | 67.2 | Low | 125 Ų | 125 | 83.9 Ų | 83.9 | 67% | 0.668 | 58% | 0.575 | S | S | * | * | trans | -95.8 | 130.3 | 157.1 | -162.7 | 7 | 0 | 0 | 0 | 111.1 | S230 | N228-S230 VanDerWaalsContact C-N 3.32Å; N228-S230 PolarHBondContact O-N 3.32Å | ||
| 229 | G | 53.3 | Low | 64.6 | Low | 82 Ų | 82 | 90 Ų | 90 | 85% | 0.845 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -82.1 | 11.5 | -159.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 230 | S | 50.8 | Low | 63.2 | Low | 99 Ų | 99 | 87.2 Ų | 87.2 | 69% | 0.692 | 64% | 0.639 | S | S | * | * | trans | -139.7 | 50.3 | -162.4 | 56.6 | 0 | 0 | 0 | 0 | 115.3 | N228 | N228-S230 VanDerWaalsContact C-N 3.32Å; N228-S230 PolarHBondContact O-N 3.32Å | ||
| 231 | S | 60.9 | Low | 61.8 | Low | 88 Ų | 88 | 86.7 Ų | 86.7 | 62% | 0.615 | 64% | 0.639 | S | S | * | * | trans | -146.7 | 142.6 | 155.9 | 52.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 232 | S | 72.9 | Confident | 60.4 | Low | 106 Ų | 106 | 90.1 Ų | 90.1 | 74% | 0.741 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 137.1 | 172 | -68.1 | 0 | 0 | 0 | 0 | 109.5 | ||
| 233 | C | 80.1 | Confident | 59.4 | Low | 18 Ų | 18 | 88 Ų | 88 | 12% | 0.122 | 66% | 0.658 | C | S | . | * | P | Polyproline II helix | trans | -56.7 | 135.1 | 175.9 | -67.6 | 0 | 0 | 0 | 0 | 110.5 | K197 C213 T235 | K197-C233 HydrophobicContact CB-CB 4.23Å; K197-C233 PolarHBondContact O-SG 2.71Å; C213-C233 HydrophobicContact CB-CB 3.71Å; C213-C233 WeakPolarHBondContact CB-SG 3.42Å; C213-C233 WeakPolarHBondContact SG-CA 3.5Å; C213-C233 WeakPolarHBondContact SG-CB 3.37Å; C213-C233 CovalentContact SG-SG 2.04Å; C213-C233 PolarHBondContact SG-SG 3.42Å; C233-T235 PolarHBondContact O-N 3.45Å |
| 234 | P | 75 | Confident | 58.9 | Low | 72 Ų | 72 | 88.3 Ų | 88.3 | 47% | 0.468 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -57.5 | 137.5 | -167.2 | 20.4 | -32.6 | 0 | 0 | 0 | 112 | K197 L221 | K197-P234 PolarHBondContact NZ-O 3.16Å; L221-P234 HydrophobicContact CD1-CG 4.1Å |
| 235 | T | 65.8 | Low | 58.8 | Low | 137 Ų | 137 | 92.3 Ų | 92.3 | 84% | 0.84 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -70.7 | -35.5 | -171.8 | -47.2 | 0 | 0 | 0 | 0 | 112.4 | K197 C233 | K197-T235 VanDerWaalsContact NZ-C 3.34Å; K197-T235 PolarHBondContact NZ-O 3.16Å; C233-T235 PolarHBondContact O-N 3.45Å |
| 236 | G | 62.6 | Low | 58.7 | Low | 48 Ų | 48 | 93.1 Ų | 93.1 | 50% | 0.495 | 69% | 0.687 | S | S | . | * | trans | -74.5 | -175.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | K197 | K197-G236 PolarHBondContact NZ-O 3.2Š| ||
| 237 | S | 48.5 | Very low | 58.7 | Low | 111 Ų | 111 | 89.6 Ų | 89.6 | 78% | 0.776 | 68% | 0.682 | S | S | * | * | trans | 57.7 | 61.7 | 176.1 | -56.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 238 | S | 49.5 | Very low | 59 | Low | 81 Ų | 81 | 93.3 Ų | 93.3 | 57% | 0.566 | 70% | 0.7 | S | S | * | * | trans | -115.6 | 99.5 | 138.3 | -60.9 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 239 | G | 37.2 | Very low | 59.7 | Low | 152 Ų | 152 | 90.4 Ų | 90.4 | 100% | 1.567 | 70% | 0.703 | S | S | * | * | trans | -94.2 | 0 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.1 |
Retrieved 239 of 239 residues in 1103.1 ms
(Link to these results)