| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 29.2 | Very low | 35.6 | Very low | 238 Ų | 238 | 177.1 Ų | 177.1 | 100% | 1.172 | 88% | 0.882 | S | S | * | * | 0 | 142.2 | 0 | -73.2 | -57.8 | 176.8 | 0 | 0 | 109 | |||||
| 2 | P | 42.5 | Very low | 35.1 | Very low | 116 Ų | 116 | 170.8 Ų | 170.8 | 75% | 0.753 | 88% | 0.878 | S | S | * | * | trans | -100.5 | 158.1 | -146.4 | 36.8 | -35.5 | 0 | 0 | 0 | 115.1 | ||||
| 3 | R | 34.6 | Very low | 35 | Very low | 239 Ų | 239 | 171.8 Ų | 171.8 | 90% | 0.902 | 88% | 0.876 | S | S | * | * | trans | -110.8 | 113.4 | 157.5 | -89.9 | -177.8 | 166.5 | 159.7 | -3 | 109.2 | ||||
| 4 | S | 34 | Very low | 34.7 | Very low | 118 Ų | 118 | 167.6 Ų | 167.6 | 83% | 0.825 | 87% | 0.87 | S | S | * | * | trans | -75.1 | 132.9 | 174 | 37.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 5 | F | 34.2 | Very low | 34.2 | Very low | 199 Ų | 199 | 171.4 Ų | 171.4 | 87% | 0.873 | 87% | 0.871 | S | S | * | * | trans | -88.4 | 118.8 | 173.1 | -83.1 | -93.5 | 0 | 0 | 0 | 110.6 | V7 | F5-V7 PolarHBondContact O-N 2.91Š| ||
| 6 | L | 37.2 | Very low | 34.3 | Very low | 170 Ų | 170 | 172.1 Ų | 172.1 | 89% | 0.89 | 87% | 0.869 | S | S | * | * | trans | -74.8 | 107 | 168 | -90.1 | 159.7 | 0 | 0 | 0 | 110 | ||||
| 7 | V | 37.9 | Very low | 34.2 | Very low | 129 Ų | 129 | 172.5 Ų | 172.5 | 78% | 0.782 | 87% | 0.867 | S | S | * | * | trans | -80.9 | 117.2 | 170.9 | 177.7 | 0 | 0 | 0 | 0 | 109.5 | F5 S9 | F5-V7 PolarHBondContact O-N 2.91Å; V7-S9 PolarHBondContact O-N 3Å | ||
| 8 | K | 34 | Very low | 34.2 | Very low | 204 Ų | 204 | 169.7 Ų | 169.7 | 89% | 0.887 | 86% | 0.863 | S | S | * | * | trans | -84.1 | 106.9 | 173.3 | -72.8 | 177.1 | 176.2 | 176 | 0 | 110.4 | ||||
| 9 | S | 36.1 | Very low | 34.3 | Very low | 110 Ų | 110 | 172.4 Ų | 172.4 | 77% | 0.769 | 86% | 0.861 | S | S | * | * | trans | -73.9 | 126.4 | 165.4 | -69.1 | 0 | 0 | 0 | 0 | 111.1 | V7 | V7-S9 PolarHBondContact O-N 3Š| ||
| 10 | K | 36.9 | Very low | 34.3 | Very low | 212 Ų | 212 | 168.2 Ų | 168.2 | 92% | 0.922 | 85% | 0.845 | S | S | * | * | trans | 165.6 | 107.7 | 142.5 | -92.5 | 161.1 | -174.3 | -177 | 0 | 110.9 | ||||
| 11 | K | 34.8 | Very low | 34.5 | Very low | 213 Ų | 213 | 166.6 Ų | 166.6 | 93% | 0.926 | 84% | 0.839 | S | S | * | * | trans | -147.3 | 129 | 147.9 | -143 | 170.1 | -172.8 | 178.3 | 0 | 108.4 | ||||
| 12 | A | 29.9 | Very low | 34.8 | Very low | 101 Ų | 101 | 162.2 Ų | 162.2 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 140.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 13 | H | 34.1 | Very low | 34.5 | Very low | 185 Ų | 185 | 161 Ų | 161 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 129.7 | 161.8 | -94.3 | -92 | 0 | 0 | 0 | 109.3 | ||
| 14 | S | 31 | Very low | 34.5 | Very low | 112 Ų | 112 | 155.2 Ų | 155.2 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 132.2 | 172.1 | -167.3 | 0 | 0 | 0 | 0 | 110.1 | H16 | S14-H16 PolarHBondContact O-N 3.3Š|
| 15 | Y | 26.4 | Very low | 34.7 | Very low | 225 Ų | 225 | 156.8 Ų | 156.8 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 120.6 | 169.3 | -93 | -109.7 | 0 | 0 | 0 | 109.4 | ||
| 16 | H | 36 | Very low | 34.8 | Very low | 183 Ų | 183 | 151.3 Ų | 151.3 | 85% | 0.847 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -85 | 129.9 | 154 | -92.7 | -72.2 | 0 | 0 | 0 | 108.4 | S14 | S14-H16 PolarHBondContact O-N 3.3Š|
| 17 | Q | 32.8 | Very low | 34.9 | Very low | 178 Ų | 178 | 151.6 Ų | 151.6 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -61 | 147 | 176.6 | -73.3 | 169.2 | -62.2 | 0 | 0 | 111.3 | R19 | Q17-R19 PolarHBondContact O-N 3.04Š|
| 18 | P | 33.4 | Very low | 35 | Very low | 122 Ų | 122 | 150 Ų | 150 | 79% | 0.792 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 129.8 | 170.7 | 28.4 | -33.3 | 0 | 0 | 0 | 109.9 | ||
| 19 | R | 36 | Very low | 35 | Very low | 222 Ų | 222 | 144.6 Ų | 144.6 | 84% | 0.838 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 137.4 | 168.7 | -66.9 | -174.9 | -179.8 | -176.5 | -1.6 | 109.1 | Q17 | Q17-R19 PolarHBondContact O-N 3.04Š|
| 20 | T | 34.1 | Very low | 35.1 | Very low | 87 Ų | 87 | 143.9 Ų | 143.9 | 53% | 0.534 | 71% | 0.712 | S | S | . | * | P | Polyproline II helix | trans | -74.3 | 154.2 | 178.4 | 45.1 | 0 | 0 | 0 | 0 | 111 | E22 | T20-E22 PolarHBondContact O-N 3.25Š|
| 21 | L | 38.7 | Very low | 35.2 | Very low | 136 Ų | 136 | 139 Ų | 139 | 71% | 0.712 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -5.8 | -175.2 | -155 | 90.4 | 0 | 0 | 0 | 113.8 | Y25 | L21-Y25 HydrophobicContact CD2-CE2 4.32Å; L21-Y25 WeakPolarHBondContact O-CD2 3.34Å |
| 22 | E | 37.2 | Very low | 35.3 | Very low | 145 Ų | 145 | 133.6 Ų | 133.6 | 68% | 0.678 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -25 | -170.3 | -63 | 173.4 | 140.7 | 0 | 0 | 112.5 | T20 D24 Y25 | T20-E22 PolarHBondContact O-N 3.25Å; E22-D24 VanDerWaalsContact C-N 3.33Å; E22-D24 PolarHBondContact O-N 3.28Å; E22-Y25 PolarHBondContact O-N 2.84Å |
| 23 | D | 34.2 | Very low | 35.7 | Very low | 92 Ų | 92 | 131.8 Ų | 131.8 | 49% | 0.492 | 66% | 0.661 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68 | -29.2 | -179.6 | -75.9 | -17.9 | 0 | 0 | 0 | 113.3 | ||
| 24 | D | 36.4 | Very low | 35.8 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 62% | 0.62 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -26.4 | -178.7 | -77.9 | -25.4 | 0 | 0 | 0 | 112.7 | E22 | E22-D24 VanDerWaalsContact C-N 3.33Å; E22-D24 PolarHBondContact O-N 3.28Å |
| 25 | Y | 36.8 | Very low | 36.3 | Very low | 152 Ų | 152 | 130.9 Ų | 130.9 | 60% | 0.596 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -36.5 | 176.5 | -77.4 | -83.8 | 0 | 0 | 0 | 112.1 | L21 E22 R27 L28 | L21-Y25 HydrophobicContact CD2-CE2 4.32Å; L21-Y25 WeakPolarHBondContact O-CD2 3.34Å; E22-Y25 PolarHBondContact O-N 2.84Å; Y25-R27 PolarHBondContact O-N 2.8Å; Y25-R27 VanDerWaalsContact O-N 3.13Å; Y25-L28 PolarHBondContact O-N 2.96Å |
| 26 | S | 37.3 | Very low | 36.7 | Very low | 84 Ų | 84 | 125.3 Ų | 125.3 | 59% | 0.587 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -61.3 | -22.3 | 177.7 | -60.8 | 0 | 0 | 0 | 0 | 113.8 | T30 | S26-T30 PolarHBondContact O-OG1 3.28Å |
| 27 | R | 39.7 | Very low | 36.6 | Very low | 176 Ų | 176 | 120.9 Ų | 120.9 | 66% | 0.664 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -84 | -19.3 | 174.2 | -83.3 | -174.9 | 155.2 | 110.9 | 1 | 114.5 | Y25 I31 | Y25-R27 PolarHBondContact O-N 2.8Å; Y25-R27 VanDerWaalsContact O-N 3.13Å; R27-I31 WeakPolarHBondContact O-CG1 3.37Å |
| 28 | L | 39.7 | Very low | 36.8 | Very low | 95 Ų | 95 | 119.5 Ų | 119.5 | 50% | 0.497 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -79.9 | -35.7 | -179.4 | -77 | 171.3 | 0 | 0 | 0 | 112.3 | Y25 T30 I31 L32 | Y25-L28 PolarHBondContact O-N 2.96Å; L28-T30 VanDerWaalsContact C-N 3.34Å; L28-T30 PolarHBondContact O-N 3.44Å; L28-I31 PolarHBondContact O-N 3.2Å; L28-L32 PolarHBondContact O-N 3.26Å; L28-L32 VanDerWaalsContact O-N 3.1Å |
| 29 | D | 32.8 | Very low | 37.2 | Very low | 90 Ų | 90 | 119.2 Ų | 119.2 | 48% | 0.481 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -68.5 | -31.9 | 177.4 | -76.9 | -31.4 | 0 | 0 | 0 | 112.3 | I31 L32 A33 R210 | D29-I31 VanDerWaalsContact C-N 3.31Å; D29-I31 PolarHBondContact O-N 3.41Å; D29-L32 PolarHBondContact O-N 3.17Å; D29-A33 WeakPolarHBondContact O-CB 3.15Å; D29-A33 PolarHBondContact O-N 3.25Å; D29-R210 IonicContact OD1-NH2 2.78Å; D29-R210 PolarHBondContact OD1-NH2 2.91Å; D29-R210 VanDerWaalsContact OD1-NH2 3.15Å |
| 30 | T | 39.8 | Very low | 37.3 | Very low | 95 Ų | 95 | 116.3 Ų | 116.3 | 58% | 0.583 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.7 | -34.6 | 173.2 | -33.8 | 0 | 0 | 0 | 0 | 112.5 | S26 L28 | S26-T30 PolarHBondContact O-OG1 3.28Å; L28-T30 VanDerWaalsContact C-N 3.34Å; L28-T30 PolarHBondContact O-N 3.44Å |
| 31 | I | 37.5 | Very low | 37.1 | Very low | 110 Ų | 110 | 122 Ų | 122 | 56% | 0.564 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -78.1 | -34 | -179.4 | -64.7 | 170.6 | 0 | 0 | 0 | 111 | R27 L28 D29 | R27-I31 WeakPolarHBondContact O-CG1 3.37Å; L28-I31 PolarHBondContact O-N 3.2Å; D29-I31 VanDerWaalsContact C-N 3.31Å; D29-I31 PolarHBondContact O-N 3.41Å |
| 32 | L | 38.3 | Very low | 36.8 | Very low | 99 Ų | 99 | 123.5 Ų | 123.5 | 52% | 0.518 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -73 | -34.9 | 175.1 | -75.1 | 164.7 | 0 | 0 | 0 | 112.4 | L28 D29 H34 I35 | L28-L32 PolarHBondContact O-N 3.26Å; L28-L32 VanDerWaalsContact O-N 3.1Å; D29-L32 PolarHBondContact O-N 3.17Å; L32-H34 VanDerWaalsContact C-N 3.29Å; L32-H34 PolarHBondContact O-N 3.12Å; L32-I35 PolarHBondContact O-N 3.02Å |
| 33 | A | 37.1 | Very low | 36.5 | Very low | 63 Ų | 63 | 121.3 Ų | 121.3 | 52% | 0.521 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -63 | -31.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D29 I35 | D29-A33 WeakPolarHBondContact O-CB 3.15Å; D29-A33 PolarHBondContact O-N 3.25Å; A33-I35 VanDerWaalsContact C-N 3.3Å; A33-I35 PolarHBondContact O-N 3.14Å |
| 34 | H | 36.6 | Very low | 36.7 | Very low | 159 Ų | 159 | 125.9 Ų | 125.9 | 74% | 0.736 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -6.3 | 179.1 | -99.7 | 9.4 | 0 | 0 | 0 | 115.1 | L32 | L32-H34 VanDerWaalsContact C-N 3.29Å; L32-H34 PolarHBondContact O-N 3.12Å |
| 35 | I | 41.3 | Very low | 36.6 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 62% | 0.615 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -17.7 | -178.5 | -61.3 | 173.7 | 0 | 0 | 0 | 111.8 | L32 A33 | L32-I35 PolarHBondContact O-N 3.02Å; A33-I35 VanDerWaalsContact C-N 3.3Å; A33-I35 PolarHBondContact O-N 3.14Å |
| 36 | C | 35.2 | Very low | 36.4 | Very low | 108 Ų | 108 | 129.2 Ų | 129.2 | 73% | 0.73 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -101.9 | 19.7 | -176 | -65.2 | 0 | 0 | 0 | 0 | 114.5 | ||
| 37 | S | 33.8 | Very low | 36.2 | Very low | 89 Ų | 89 | 130 Ų | 130 | 62% | 0.622 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -105 | -12 | -179.9 | -58.2 | 0 | 0 | 0 | 0 | 115.1 | ||
| 38 | D | 37.8 | Very low | 35.7 | Very low | 150 Ų | 150 | 129 Ų | 129 | 80% | 0.802 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -107.6 | 14.2 | -170.9 | -74.1 | -30.9 | 0 | 0 | 0 | 114.5 | ||
| 39 | T | 40.4 | Very low | 35.3 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 71% | 0.712 | 72% | 0.723 | S | S | * | * | trans | -123.9 | 52.2 | 179.1 | 62.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 40 | D | 39.3 | Very low | 35.1 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 86% | 0.856 | 74% | 0.739 | S | S | * | * | trans | -143.5 | 77.1 | 162.2 | -91.9 | -43.1 | 0 | 0 | 0 | 110.9 | ||||
| 41 | K | 29.9 | Very low | 34.6 | Very low | 207 Ų | 207 | 132.5 Ų | 132.5 | 90% | 0.9 | 75% | 0.745 | S | S | * | * | trans | -146.2 | 92.8 | 157.4 | -79.4 | -157.7 | 176.4 | -170 | 0 | 109.9 | ||||
| 42 | L | 31.3 | Very low | 34.2 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 134.7 | 156.3 | -65.9 | 171.6 | 0 | 0 | 0 | 108.2 | ||
| 43 | P | 31.1 | Very low | 33.7 | Very low | 100 Ų | 100 | 134.2 Ų | 134.2 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -81 | 137.3 | 151 | 15 | 1 | 0 | 0 | 0 | 109.5 | ||
| 44 | E | 39.2 | Very low | 33.3 | Very low | 187 Ų | 187 | 142.1 Ų | 142.1 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 137.5 | 161.8 | -61.7 | 174.3 | 139.1 | 0 | 0 | 108.3 | ||
| 45 | E | 33.1 | Very low | 32.8 | Very low | 176 Ų | 176 | 137.7 Ų | 137.7 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | -135.3 | 99.1 | 172.1 | -67.4 | -171 | -160.2 | 0 | 0 | 109.1 | ||||
| 46 | D | 34 | Very low | 32 | Very low | 162 Ų | 162 | 142.1 Ų | 142.1 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | trans | -70.1 | 136.2 | 171.3 | -63 | -61.3 | 0 | 0 | 0 | 111 | ||||
| 47 | A | 32.3 | Very low | 31.8 | Very low | 101 Ų | 101 | 142 Ų | 142 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -150.7 | 99.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 48 | D | 28.6 | Very low | 32.2 | Very low | 154 Ų | 154 | 143.4 Ų | 143.4 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | -76.4 | 123 | 177.3 | -90.7 | -45.8 | 0 | 0 | 0 | 113.7 | ||||
| 49 | L | 32.5 | Very low | 31.7 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | trans | 40.9 | 113.3 | 131 | -57.4 | 176.8 | 0 | 0 | 0 | 121.8 | ||||
| 50 | S | 28.4 | Very low | 31.1 | Very low | 116 Ų | 116 | 140.8 Ų | 140.8 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | -178.1 | 121.9 | 120.1 | 31.1 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 51 | A | 29.8 | Very low | 30.5 | Very low | 86 Ų | 86 | 142 Ų | 142 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | 70.3 | 90.8 | 52.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 52 | D | 27.4 | Very low | 31.2 | Very low | 167 Ų | 167 | 137.8 Ų | 137.8 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | -173.7 | -176.6 | 106.2 | -100.4 | -30.2 | 0 | 0 | 0 | 114.1 | |||||
| 53 | S | 28.7 | Very low | 30.9 | Very low | 78 Ų | 78 | 133.3 Ų | 133.3 | 55% | 0.545 | 79% | 0.791 | S | S | . | * | trans | -106.5 | -175 | -144.5 | 53.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 54 | Y | 28.9 | Very low | 30.7 | Very low | 229 Ų | 229 | 138.6 Ų | 138.6 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | trans | 77 | 142.2 | 177.4 | -47.9 | -79.3 | 0 | 0 | 0 | 116.5 | ||||
| 55 | G | 25.5 | Very low | 30.2 | Very low | 66 Ų | 66 | 134.5 Ų | 134.5 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | cis | 165.3 | 148.7 | -7.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 56 | F | 25.9 | Very low | 29.9 | Very low | 214 Ų | 214 | 130.7 Ų | 130.7 | 94% | 0.939 | 80% | 0.804 | S | S | * | * | trans | 65.7 | 125.6 | 164.2 | -87 | -106.6 | 0 | 0 | 0 | 122.6 | ||||
| 57 | S | 29.9 | Very low | 29.5 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | -90 | 173.4 | 140.9 | -61.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 58 | P | 42.4 | Very low | 29.2 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | cis | -146.2 | -178.1 | 15.3 | 43.8 | -23.6 | 0 | 0 | 0 | 118.1 | ||||
| 59 | A | 26.7 | Very low | 29.2 | Very low | 88 Ų | 88 | 132.7 Ų | 132.7 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | 60.5 | 129.3 | 145.2 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 60 | S | 27.8 | Very low | 29.7 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | 152.3 | 148.3 | 122.9 | -66.8 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 61 | H | 26.9 | Very low | 29.7 | Very low | 186 Ų | 186 | 137.3 Ų | 137.3 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | trans | -73 | -171.3 | 177.8 | -73.3 | -83.5 | 0 | 0 | 0 | 114.6 | ||||
| 62 | P | 44.1 | Very low | 29.8 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | cis | -135.1 | 170.7 | -32.7 | 28.5 | -8.4 | 0 | 0 | 0 | 115.4 | ||||
| 63 | G | 25.6 | Very low | 30.5 | Very low | 73 Ų | 73 | 136 Ų | 136 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | 76.1 | 130.4 | 130.2 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 64 | E | 27.4 | Very low | 30.5 | Very low | 210 Ų | 210 | 139.9 Ų | 139.9 | 98% | 0.981 | 81% | 0.813 | S | S | * | * | trans | -167.6 | 164.8 | 130.7 | -111.1 | -173.7 | 135.7 | 0 | 0 | 111.1 | ||||
| 65 | A | 27.4 | Very low | 30.4 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | -141.5 | 139.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 66 | A | 28 | Very low | 30.3 | Very low | 96 Ų | 96 | 136.8 Ų | 136.8 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | trans | -162.5 | 110.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 67 | D | 25.3 | Very low | 30.3 | Very low | 146 Ų | 146 | 130.5 Ų | 130.5 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | 66.1 | 98.5 | 61.5 | -156.5 | 0.6 | 0 | 0 | 0 | 113.4 | |||||
| 68 | F | 26.5 | Very low | 30.2 | Very low | 206 Ų | 206 | 132.8 Ų | 132.8 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | trans | -158.4 | 124.4 | 153.5 | -112.3 | -72.7 | 0 | 0 | 0 | 111.3 | ||||
| 69 | S | 28.6 | Very low | 29.7 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | trans | -158.3 | 169.3 | 166.2 | -88.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 70 | P | 43.3 | Very low | 29.8 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 74% | 0.74 | 81% | 0.811 | S | S | * | * | cis | -126.4 | 176.1 | -3.6 | 39.2 | -24.9 | 0 | 0 | 0 | 113.4 | ||||
| 71 | R | 28.1 | Very low | 29.9 | Very low | 250 Ų | 250 | 136.6 Ų | 136.6 | 94% | 0.943 | 81% | 0.814 | S | S | * | * | trans | -155.4 | 121.3 | 147.5 | -111.5 | 173.5 | -163.8 | -121.1 | 3.7 | 112.4 | ||||
| 72 | S | 30.6 | Very low | 29.9 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | trans | -123.9 | 176.9 | 164.3 | -58 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 73 | P | 43.5 | Very low | 29.3 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 75% | 0.747 | 81% | 0.814 | S | S | * | * | cis | -137.5 | -167.7 | 7.6 | 42.8 | -23.6 | 0 | 0 | 0 | 114.6 | ||||
| 74 | L | 28 | Very low | 29.5 | Very low | 158 Ų | 158 | 139.8 Ų | 139.8 | 83% | 0.827 | 82% | 0.817 | S | S | * | * | trans | 147.4 | 92.9 | 151.6 | -81.5 | 172.3 | 0 | 0 | 0 | 107.6 | ||||
| 75 | S | 26.9 | Very low | 29.7 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | 81.6 | 99.6 | 58 | 79.4 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 76 | C | 24.5 | Very low | 30 | Very low | 132 Ų | 132 | 135.6 Ų | 135.6 | 89% | 0.892 | 80% | 0.797 | S | S | * | * | trans | -177 | 106.3 | 143.3 | -97.8 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 77 | A | 24.9 | Very low | 30 | Very low | 82 Ų | 82 | 140.7 Ų | 140.7 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | 82.9 | 120.9 | 66.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 78 | D | 27.1 | Very low | 30.4 | Very low | 152 Ų | 152 | 142.2 Ų | 142.2 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | 59.8 | 103.6 | 156.5 | -51.3 | -33.6 | 0 | 0 | 0 | 121.3 | ||||
| 79 | S | 31.9 | Very low | 30.7 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | 174.6 | 126.7 | 99.2 | -79 | 0 | 0 | 0 | 0 | 115 | |||||
| 80 | L | 30.3 | Very low | 30.8 | Very low | 161 Ų | 161 | 141.6 Ų | 141.6 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | 63.4 | 65.3 | 152.2 | -55.3 | 176.9 | 0 | 0 | 0 | 119.4 | A82 | L80-A82 PolarHBondContact O-N 3.39Š| ||
| 81 | C | 28.5 | Very low | 30.3 | Very low | 138 Ų | 138 | 147.7 Ų | 147.7 | 93% | 0.932 | 80% | 0.797 | S | S | * | * | trans | -70 | 72.6 | 147.2 | -87.8 | 0 | 0 | 0 | 0 | 111 | R83 | C81-R83 PolarHBondContact O-N 3.1Š| ||
| 82 | A | 26.6 | Very low | 30.5 | Very low | 86 Ų | 86 | 146.1 Ų | 146.1 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | -68.5 | 118.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.5 | L80 S84 | L80-A82 PolarHBondContact O-N 3.39Å; A82-S84 PolarHBondContact O-N 3.5Å | ||
| 83 | R | 32.4 | Very low | 30.6 | Very low | 243 Ų | 243 | 145.9 Ų | 145.9 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | trans | -59.4 | 103.8 | 169.9 | -72.5 | 160.3 | 55.7 | 163.5 | -3 | 109.6 | C81 A85 | C81-R83 PolarHBondContact O-N 3.1Å; R83-A85 PolarHBondContact O-N 3.4Å | ||
| 84 | S | 29.3 | Very low | 30 | Very low | 116 Ų | 116 | 146.5 Ų | 146.5 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -84.7 | 89.9 | 163 | 70.6 | 0 | 0 | 0 | 0 | 109.4 | A82 | A82-S84 PolarHBondContact O-N 3.5Š| ||
| 85 | A | 33 | Very low | 30.2 | Very low | 71 Ų | 71 | 144.4 Ų | 144.4 | 59% | 0.587 | 79% | 0.79 | S | S | * | * | trans | -66 | -156.4 | 146.5 | 0 | 0 | 0 | 0 | 0 | 109 | R83 | R83-A85 PolarHBondContact O-N 3.4Š| ||
| 86 | D | 32.1 | Very low | 30.4 | Very low | 151 Ų | 151 | 145.6 Ų | 145.6 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | trans | 74.2 | 69.2 | 167.2 | -40.3 | -27.7 | 0 | 0 | 0 | 115.7 | ||||
| 87 | Y | 28.6 | Very low | 30.6 | Very low | 203 Ų | 203 | 145.1 Ų | 145.1 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -135.6 | 44 | 139.6 | -159.3 | -98.9 | 0 | 0 | 0 | 111.7 | ||
| 88 | E | 34.3 | Very low | 30.7 | Very low | 178 Ų | 178 | 149.9 Ų | 149.9 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -135.8 | 52.5 | 172.7 | -72.2 | -61.1 | 154.6 | 0 | 0 | 109.9 | ||
| 89 | D | 31.7 | Very low | 30.7 | Very low | 123 Ų | 123 | 148 Ų | 148 | 66% | 0.658 | 80% | 0.802 | S | S | * | * | trans | -154.1 | 82.6 | 168.8 | -110.3 | -32.1 | 0 | 0 | 0 | 111.5 | ||||
| 90 | F | 31.9 | Very low | 30.8 | Very low | 179 Ų | 179 | 148 Ų | 148 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -136.2 | 9.4 | 168.3 | -119.8 | -84.1 | 0 | 0 | 0 | 113.4 | ||
| 91 | W | 32.8 | Very low | 30.9 | Very low | 241 Ų | 241 | 147.3 Ų | 147.3 | 91% | 0.913 | 80% | 0.802 | S | S | * | * | trans | -145.2 | 60.2 | 178.6 | -70.5 | 107.4 | 0 | 0 | 0 | 112.2 | ||||
| 92 | R | 31.3 | Very low | 30.7 | Very low | 217 Ų | 217 | 147.8 Ų | 147.8 | 82% | 0.819 | 80% | 0.795 | S | S | * | * | trans | -129.7 | 113.8 | 161.2 | -172.3 | 179.3 | -82.9 | -127 | 2.1 | 108.5 | ||||
| 93 | P | 32.1 | Very low | 30.8 | Very low | 108 Ų | 108 | 148.3 Ų | 148.3 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 149.2 | 172.9 | 30.7 | -33 | 0 | 0 | 0 | 110.1 | ||
| 94 | P | 32.5 | Very low | 30.6 | Very low | 128 Ų | 128 | 145.5 Ų | 145.5 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 132.6 | 177.7 | 30.7 | -33.3 | 0 | 0 | 0 | 111.3 | ||
| 95 | S | 30.6 | Very low | 30.6 | Very low | 113 Ų | 113 | 150 Ų | 150 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -82 | 141.6 | 167.8 | -56.1 | 0 | 0 | 0 | 0 | 110.3 | ||
| 96 | P | 31.9 | Very low | 30.3 | Very low | 125 Ų | 125 | 151.3 Ų | 151.3 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 132.3 | 178.7 | 31.8 | -33.2 | 0 | 0 | 0 | 111.7 | ||
| 97 | S | 28.2 | Very low | 30.1 | Very low | 121 Ų | 121 | 152.4 Ų | 152.4 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 120.8 | 164.7 | 56 | 0 | 0 | 0 | 0 | 109.7 | ||
| 98 | M | 26.5 | Very low | 30.1 | Very low | 182 Ų | 182 | 147.8 Ų | 147.8 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | trans | -109.1 | 135.4 | 167.8 | -71.2 | -151.4 | 76.7 | 0 | 0 | 110.8 | ||||
| 99 | S | 27.3 | Very low | 30.3 | Very low | 112 Ų | 112 | 144.8 Ų | 144.8 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | -161 | 167.6 | 152 | 81.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 100 | P | 35.7 | Very low | 30.1 | Very low | 111 Ų | 111 | 146.2 Ų | 146.2 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | -114.2 | 169.5 | -119.5 | 34.3 | -19.4 | 0 | 0 | 0 | 114.6 | |||||
| 101 | V | 30.7 | Very low | 29.9 | Very low | 148 Ų | 148 | 144 Ų | 144 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | -143.1 | 138.1 | 164.2 | -134.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 102 | D | 25.6 | Very low | 29.7 | Very low | 147 Ų | 147 | 136 Ų | 136 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | -86.1 | 152 | -166.9 | -68.6 | -73.9 | 0 | 0 | 0 | 115.9 | ||||
| 103 | S | 29.3 | Very low | 29.6 | Very low | 97 Ų | 97 | 134.3 Ų | 134.3 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | trans | 51.3 | 111.5 | 137 | -57.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 104 | E | 28.2 | Very low | 29.5 | Very low | 184 Ų | 184 | 136.2 Ų | 136.2 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | 54.4 | 118.7 | 125 | -53.1 | -156.4 | 118.1 | 0 | 0 | 121.7 | |||||
| 105 | K | 28.6 | Very low | 29.4 | Very low | 211 Ų | 211 | 139.2 Ų | 139.2 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | -157 | 135.7 | 116.4 | -146.7 | 165.2 | -175.1 | 173 | 0 | 113.7 | |||||
| 106 | S | 25.9 | Very low | 29.1 | Very low | 99 Ų | 99 | 138.7 Ų | 138.7 | 69% | 0.692 | 81% | 0.81 | S | S | * | * | trans | -72.2 | 153.4 | 179.4 | -44.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 107 | L | 29.1 | Very low | 28.9 | Very low | 173 Ų | 173 | 142.8 Ų | 142.8 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | 175.8 | 115.1 | 120.6 | -92.7 | 156.4 | 0 | 0 | 0 | 112.4 | |||||
| 108 | S | 28.5 | Very low | 28.9 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 74% | 0.741 | 81% | 0.813 | S | S | * | * | trans | -86.9 | 173.3 | 155.7 | -34.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 109 | P | 37.8 | Very low | 29.1 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | cis | -131 | -161.2 | 28.7 | 28.8 | -1 | 0 | 0 | 0 | 112.3 | ||||
| 110 | L | 27.3 | Very low | 29.3 | Very low | 153 Ų | 153 | 141 Ų | 141 | 80% | 0.801 | 81% | 0.807 | S | S | * | * | cis | -143.2 | 155.3 | 18.3 | -79.8 | 165.3 | 0 | 0 | 0 | 113.7 | ||||
| 111 | V | 28.6 | Very low | 28.9 | Very low | 132 Ų | 132 | 145.5 Ų | 145.5 | 80% | 0.8 | 82% | 0.815 | S | S | * | * | trans | 18.9 | 129.6 | 143.1 | -166.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 112 | G | 28 | Very low | 28.9 | Very low | 73 Ų | 73 | 149.3 Ų | 149.3 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | trans | -177.6 | 90 | 159.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 113 | E | 29.2 | Very low | 29.2 | Very low | 182 Ų | 182 | 147.8 Ų | 147.8 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | trans | -73.2 | 136.8 | 179.4 | -66.8 | 172.6 | 103.1 | 0 | 0 | 112.4 | ||||
| 114 | T | 30.1 | Very low | 29.2 | Very low | 148 Ų | 148 | 154.2 Ų | 154.2 | 91% | 0.908 | 82% | 0.823 | S | S | * | * | trans | -168.7 | 153.3 | 140.6 | 11.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 115 | Q | 31.3 | Very low | 29.2 | Very low | 191 Ų | 191 | 150 Ų | 150 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | trans | -83.7 | 152.5 | -158.2 | -67.1 | 171.3 | -4.2 | 0 | 0 | 114.7 | ||||
| 116 | S | 23.8 | Very low | 29 | Very low | 103 Ų | 103 | 150 Ų | 150 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | trans | -89.6 | 142 | -176.5 | 49.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 117 | F | 27.6 | Very low | 29.3 | Very low | 210 Ų | 210 | 150.3 Ų | 150.3 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -139 | 98.3 | 156.5 | -96.5 | -83.4 | 0 | 0 | 0 | 109.4 | ||||
| 118 | T | 27.1 | Very low | 29.3 | Very low | 132 Ų | 132 | 146.3 Ų | 146.3 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -127.2 | 120.2 | 173 | -49.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 119 | V | 30.8 | Very low | 29.5 | Very low | 131 Ų | 131 | 151.6 Ų | 151.6 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | -73.2 | 133 | -178 | -175.6 | 0 | 0 | 0 | 0 | 110 | F121 | V119-F121 PolarHBondContact O-N 2.9Š| ||
| 120 | P | 31.9 | Very low | 29.3 | Very low | 115 Ų | 115 | 151.9 Ų | 151.9 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | trans | -76.4 | 111.2 | -173.3 | 28.6 | -34.3 | 0 | 0 | 0 | 112.9 | R122 | P120-R122 PolarHBondContact O-N 2.89Š| ||
| 121 | F | 27.3 | Very low | 29.4 | Very low | 205 Ų | 205 | 148 Ų | 148 | 90% | 0.899 | 81% | 0.806 | S | S | * | * | trans | -65.3 | 117.4 | 158.9 | -124.5 | -102.4 | 0 | 0 | 0 | 108.7 | V119 P123 | V119-F121 PolarHBondContact O-N 2.9Å; F121-P123 WeakPolarHBondContact O-CD 3.28Å | ||
| 122 | R | 30 | Very low | 29.9 | Very low | 229 Ų | 229 | 148.4 Ų | 148.4 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -92.9 | 113.3 | 172.7 | -99.6 | -173.5 | 166.8 | -158.9 | -3 | 110.6 | P120 | P120-R122 PolarHBondContact O-N 2.89Š| ||
| 123 | P | 32.3 | Very low | 29.9 | Very low | 115 Ų | 115 | 148.4 Ų | 148.4 | 75% | 0.747 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 151.9 | 171.7 | 30.3 | -32 | 0 | 0 | 0 | 111.7 | F121 A125 | F121-P123 WeakPolarHBondContact O-CD 3.28Å; P123-A125 PolarHBondContact O-N 3.16Å |
| 124 | Y | 29.2 | Very low | 30.4 | Very low | 232 Ų | 232 | 145.9 Ų | 145.9 | 91% | 0.91 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 116.9 | 176.7 | -82.7 | -106.5 | 0 | 0 | 0 | 111.1 | ||
| 125 | A | 28.1 | Very low | 30.3 | Very low | 94 Ų | 94 | 147.6 Ų | 147.6 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 125.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | P123 | P123-A125 PolarHBondContact O-N 3.16Š|
| 126 | W | 25.6 | Very low | 30.1 | Very low | 212 Ų | 212 | 146.8 Ų | 146.8 | 80% | 0.803 | 81% | 0.809 | S | S | * | * | trans | -98.3 | 98.9 | 171.7 | 53 | -77.7 | 0 | 0 | 0 | 108.3 | S128 | W126-S128 WeakPolarHBondContact CZ3-OG 3.36Å; W126-S128 PolarHBondContact O-N 2.9Å | ||
| 127 | S | 32.3 | Very low | 30.2 | Very low | 105 Ų | 105 | 150 Ų | 150 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | trans | -71.3 | 115 | 179.6 | -58.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 128 | S | 28.6 | Very low | 30.2 | Very low | 89 Ų | 89 | 145.6 Ų | 145.6 | 62% | 0.622 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 135.4 | 167.2 | -66.6 | 0 | 0 | 0 | 0 | 110.1 | W126 | W126-S128 WeakPolarHBondContact CZ3-OG 3.36Å; W126-S128 PolarHBondContact O-N 2.9Å |
| 129 | Y | 32.3 | Very low | 30.2 | Very low | 218 Ų | 218 | 147.9 Ų | 147.9 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 135.6 | 168.4 | -81 | -86.6 | 0 | 0 | 0 | 110.2 | ||
| 130 | P | 34.4 | Very low | 30.1 | Very low | 120 Ų | 120 | 153.1 Ų | 153.1 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 153.6 | 164.4 | -11.1 | 27.5 | 0 | 0 | 0 | 111.5 | ||
| 131 | G | 28.2 | Very low | 30 | Very low | 72 Ų | 72 | 153.4 Ų | 153.4 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 168.3 | 172 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 132 | P | 40.7 | Very low | 30 | Very low | 141 Ų | 141 | 150.3 Ų | 150.3 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 156.2 | -168.4 | 37.8 | -34.9 | 0 | 0 | 0 | 115 | ||
| 133 | G | 26.3 | Very low | 29.9 | Very low | 73 Ų | 73 | 143.6 Ų | 143.6 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | 150.2 | 148.7 | 158.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 134 | P | 41.4 | Very low | 29.7 | Very low | 129 Ų | 129 | 148 Ų | 148 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | cis | -120.9 | 163.1 | -24.6 | 37.6 | -23.1 | 0 | 0 | 0 | 114.2 | ||||
| 135 | E | 28.2 | Very low | 29.7 | Very low | 184 Ų | 184 | 147.4 Ų | 147.4 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -11.8 | 133.2 | 157.5 | -166.7 | 164.5 | -162 | 0 | 0 | 120.3 | ||||
| 136 | L | 26.8 | Very low | 29.7 | Very low | 173 Ų | 173 | 148.8 Ų | 148.8 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | trans | -156.4 | 140.1 | 146.3 | -111.7 | 167.9 | 0 | 0 | 0 | 110.5 | ||||
| 137 | E | 26.1 | Very low | 29.7 | Very low | 172 Ų | 172 | 144.5 Ų | 144.5 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -68.4 | 158.9 | 179.5 | -77.8 | 175.1 | 85.6 | 0 | 0 | 113.7 | ||||
| 138 | V | 26.8 | Very low | 29.4 | Very low | 116 Ų | 116 | 147.5 Ų | 147.5 | 70% | 0.703 | 81% | 0.808 | S | S | * | * | 166.2 | 119 | 117.9 | 156.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 139 | Q | 27 | Very low | 29.7 | Very low | 181 Ų | 181 | 149 Ų | 149 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | trans | 59.3 | 135.4 | 149.5 | -64.1 | 169.5 | 30.5 | 0 | 0 | 123 | ||||
| 140 | R | 28.5 | Very low | 29.4 | Very low | 240 Ų | 240 | 142.2 Ų | 142.2 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | trans | -80 | 161.4 | 164.6 | -65 | 174 | 168.1 | -178.5 | -4.3 | 110.6 | ||||
| 141 | P | 30.2 | Very low | 29 | Very low | 122 Ų | 122 | 144.7 Ų | 144.7 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | -140.8 | 149.4 | 110.3 | 34.7 | -21 | 0 | 0 | 0 | 116.9 | |||||
| 142 | V | 27.5 | Very low | 29.1 | Very low | 139 Ų | 139 | 150.6 Ų | 150.6 | 84% | 0.842 | 83% | 0.826 | S | S | * | * | trans | 26.8 | 134.3 | 144.7 | -169 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 143 | A | 27.4 | Very low | 28.6 | Very low | 89 Ų | 89 | 149.8 Ų | 149.8 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | trans | -50.4 | 153.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 144 | Q | 28.4 | Very low | 28.8 | Very low | 206 Ų | 206 | 154.4 Ų | 154.4 | 96% | 0.963 | 83% | 0.826 | S | S | * | * | trans | -138.6 | 156.6 | 141.3 | -114.4 | 175.5 | -0.6 | 0 | 0 | 111.6 | ||||
| 145 | R | 28.3 | Very low | 28.2 | Very low | 221 Ų | 221 | 154.5 Ų | 154.5 | 83% | 0.834 | 82% | 0.824 | S | S | * | * | trans | -123.4 | 124.2 | -160.8 | 177 | -173.4 | -176.3 | -172.7 | 2.1 | 108.8 | ||||
| 146 | S | 27.9 | Very low | 28.3 | Very low | 122 Ų | 122 | 150.5 Ų | 150.5 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | -144.3 | 119.8 | 170.9 | -60.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 147 | L | 25.5 | Very low | 28.6 | Very low | 123 Ų | 123 | 148.2 Ų | 148.2 | 64% | 0.644 | 81% | 0.812 | S | S | * | * | trans | -82.3 | 164.8 | 157.4 | -48.1 | 83.9 | 0 | 0 | 0 | 106.4 | ||||
| 148 | H | 26.5 | Very low | 29 | Very low | 167 Ų | 167 | 143.9 Ų | 143.9 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | cis | -162.8 | -166.1 | 23.9 | -98.5 | -65.5 | 0 | 0 | 0 | 105.8 | ||||
| 149 | P | 35.4 | Very low | 29.5 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | cis | -119.7 | -176 | -16.4 | 22.7 | 1 | 0 | 0 | 0 | 112.2 | ||||
| 150 | G | 25 | Very low | 29.9 | Very low | 76 Ų | 76 | 145 Ų | 145 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | trans | -81.1 | 162 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 151 | L | 27.8 | Very low | 30.1 | Very low | 171 Ų | 171 | 137.8 Ų | 137.8 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | trans | -131.3 | 116.1 | 156.4 | -105.3 | 161.6 | 0 | 0 | 0 | 106.4 | ||||
| 152 | E | 29.5 | Very low | 30.5 | Very low | 196 Ų | 196 | 139.4 Ų | 139.4 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | -73.4 | 132.2 | 179.9 | -61.2 | -178.5 | 139 | 0 | 0 | 109.7 | ||||
| 153 | V | 31 | Very low | 30.8 | Very low | 125 Ų | 125 | 143 Ų | 143 | 76% | 0.758 | 81% | 0.807 | S | S | * | * | trans | -135.3 | 113.4 | 167.3 | -178.2 | 0 | 0 | 0 | 0 | 107.6 | T155 | V153-T155 PolarHBondContact O-N 3.23Š| ||
| 154 | D | 28.7 | Very low | 31 | Very low | 169 Ų | 169 | 144 Ų | 144 | 90% | 0.904 | 81% | 0.814 | S | S | * | * | trans | -53.7 | 118.1 | 179.6 | -77.8 | -58.8 | 0 | 0 | 0 | 112 | ||||
| 155 | T | 30.8 | Very low | 31.1 | Very low | 131 Ų | 131 | 141.2 Ų | 141.2 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -105.3 | 98.9 | 169.5 | 41.8 | 0 | 0 | 0 | 0 | 109.7 | V153 | V153-T155 PolarHBondContact O-N 3.23Š| ||
| 156 | S | 29.9 | Very low | 31.2 | Very low | 100 Ų | 100 | 140.8 Ų | 140.8 | 70% | 0.699 | 81% | 0.805 | S | S | * | * | trans | -59.6 | 126.7 | 174.3 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | A158 | S156-A158 PolarHBondContact O-N 3.09Š| ||
| 157 | P | 33.2 | Very low | 31.3 | Very low | 125 Ų | 125 | 140.9 Ų | 140.9 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -77.4 | 26.8 | -168 | 30.9 | -36.8 | 0 | 0 | 0 | 115 | V159 | P157-V159 PolarHBondContact O-N 3.16Š|
| 158 | A | 32.9 | Very low | 31.3 | Very low | 81 Ų | 81 | 139.5 Ų | 139.5 | 67% | 0.669 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -0.3 | -162.5 | 0 | 0 | 0 | 0 | 0 | 117 | S156 | S156-A158 PolarHBondContact O-N 3.09Š|
| 159 | V | 38 | Very low | 31.3 | Very low | 132 Ų | 132 | 140.4 Ų | 140.4 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.4 | 2.9 | -167.5 | -162.1 | 0 | 0 | 0 | 0 | 115.6 | P157 | P157-V159 PolarHBondContact O-N 3.16Š|
| 160 | M | 36.1 | Very low | 31.2 | Very low | 190 Ų | 190 | 139.6 Ų | 139.6 | 94% | 0.936 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -124.6 | 51 | 178.5 | -74.1 | -67.9 | -80.2 | 0 | 0 | 113.7 | ||
| 161 | A | 33.2 | Very low | 31.3 | Very low | 87 Ų | 87 | 140.4 Ų | 140.4 | 72% | 0.719 | 80% | 0.803 | S | S | * | * | trans | -127 | 20.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 162 | L | 36.8 | Very low | 31.2 | Very low | 156 Ų | 156 | 139 Ų | 139 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -142.8 | 58.6 | -179 | -71.4 | 177.7 | 0 | 0 | 0 | 113.6 | ||
| 163 | Y | 33.9 | Very low | 31.1 | Very low | 216 Ų | 216 | 139.5 Ų | 139.5 | 85% | 0.847 | 80% | 0.801 | S | S | * | * | trans | -166.9 | 63.6 | 152.9 | -88 | -60.2 | 0 | 0 | 0 | 111.3 | ||||
| 164 | A | 31.6 | Very low | 30.9 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | trans | -96.4 | 89.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 165 | D | 30.6 | Very low | 30.8 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -84 | 141.9 | -178.7 | -152.3 | -7.8 | 0 | 0 | 0 | 111.7 | S167 | D165-S167 PolarHBondContact O-N 3.24Š| ||
| 166 | R | 30.8 | Very low | 30.7 | Very low | 212 Ų | 212 | 142.6 Ų | 142.6 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | trans | -96.1 | 90.8 | -161.7 | 171.1 | 174.1 | 153.7 | -172.9 | -3.2 | 109.7 | C168 | R166-C168 PolarHBondContact O-N 2.79Š| ||
| 167 | S | 29.3 | Very low | 30.6 | Very low | 124 Ų | 124 | 141.8 Ų | 141.8 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | -76.5 | 99.6 | 174.9 | -65 | 0 | 0 | 0 | 0 | 111.4 | D165 | D165-S167 PolarHBondContact O-N 3.24Š| ||
| 168 | C | 26.3 | Very low | 30.2 | Very low | 95 Ų | 95 | 144 Ų | 144 | 64% | 0.642 | 80% | 0.804 | S | S | * | * | trans | -94.8 | 120.1 | 165.2 | -65.7 | 0 | 0 | 0 | 0 | 110.2 | R166 | R166-C168 PolarHBondContact O-N 2.79Š| ||
| 169 | H | 26.9 | Very low | 29.9 | Very low | 186 Ų | 186 | 143.7 Ų | 143.7 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | -161 | 168.7 | 151.3 | -123.9 | -107.4 | 0 | 0 | 0 | 108.6 | ||||
| 170 | P | 33.6 | Very low | 29.4 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 68% | 0.675 | 81% | 0.805 | S | S | * | * | -117.4 | -177.5 | -106.6 | 39 | -23.4 | 0 | 0 | 0 | 113.9 | |||||
| 171 | A | 25.7 | Very low | 29 | Very low | 92 Ų | 92 | 145 Ų | 145 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | trans | -58.6 | 150.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 172 | V | 26.6 | Very low | 29.5 | Very low | 142 Ų | 142 | 145.8 Ų | 145.8 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -127.6 | 130.8 | 153.8 | -178.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 173 | F | 28.1 | Very low | 29 | Very low | 207 Ų | 207 | 149.1 Ų | 149.1 | 91% | 0.908 | 80% | 0.798 | S | S | * | * | trans | -80.1 | 138.7 | 175.3 | -102.3 | -102.5 | 0 | 0 | 0 | 110.9 | ||||
| 174 | A | 26.2 | Very low | 28.8 | Very low | 101 Ų | 101 | 142.5 Ų | 142.5 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | -156.5 | 143.7 | 150.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 175 | E | 27.3 | Very low | 28.6 | Very low | 170 Ų | 170 | 144 Ų | 144 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | -70.8 | 175.5 | 177.7 | -72.6 | -168.2 | 103.4 | 0 | 0 | 113.7 | ||||
| 176 | R | 29 | Very low | 28.5 | Very low | 218 Ų | 218 | 148.2 Ų | 148.2 | 82% | 0.823 | 80% | 0.795 | S | S | * | * | cis | -179.1 | 156.7 | -27 | 177.5 | 176.8 | -179.9 | 173.2 | 0.3 | 106.6 | ||||
| 177 | A | 26 | Very low | 28.5 | Very low | 84 Ų | 84 | 149.3 Ų | 149.3 | 69% | 0.694 | 80% | 0.799 | S | S | * | * | trans | 75.9 | 151.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 178 | L | 26.3 | Very low | 28.8 | Very low | 170 Ų | 170 | 154.1 Ų | 154.1 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | cis | -130.3 | -179.4 | 12.5 | -83.7 | 167.1 | 0 | 0 | 0 | 113.2 | ||||
| 179 | A | 25.6 | Very low | 29 | Very low | 76 Ų | 76 | 157.2 Ų | 157.2 | 63% | 0.628 | 80% | 0.803 | S | S | * | * | trans | -54.7 | 165.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 180 | E | 28.4 | Very low | 29.2 | Very low | 183 Ų | 183 | 153.2 Ų | 153.2 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | cis | -147.4 | 157 | 49.9 | -70 | -85.1 | 109.7 | 0 | 0 | 114.2 | ||||
| 181 | E | 27.1 | Very low | 28.9 | Very low | 165 Ų | 165 | 152.5 Ų | 152.5 | 77% | 0.771 | 81% | 0.805 | S | S | * | * | trans | -85.5 | 166.3 | 164 | -88.7 | -76 | 144.1 | 0 | 0 | 109.3 | ||||
| 182 | P | 42.8 | Very low | 29.1 | Very low | 105 Ų | 105 | 153 Ų | 153 | 68% | 0.682 | 81% | 0.808 | S | S | * | * | -158.9 | 173.4 | 50.7 | 44.8 | -22.6 | 0 | 0 | 0 | 121.8 | |||||
| 183 | Y | 27.6 | Very low | 29.1 | Very low | 226 Ų | 226 | 152.8 Ų | 152.8 | 89% | 0.886 | 80% | 0.802 | S | S | * | * | trans | 78.3 | 122.6 | 155.6 | -92.6 | -79 | 0 | 0 | 0 | 119.5 | ||||
| 184 | G | 28.4 | Very low | 29.2 | Very low | 76 Ų | 76 | 151 Ų | 151 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | 169.5 | 21.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 185 | D | 28.7 | Very low | 29.3 | Very low | 139 Ų | 139 | 154.7 Ų | 154.7 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | trans | 10.2 | 122.4 | 165.2 | -155.6 | -0.5 | 0 | 0 | 0 | 121.3 | ||||
| 186 | Y | 28.1 | Very low | 29.7 | Very low | 237 Ų | 237 | 152.2 Ų | 152.2 | 93% | 0.929 | 80% | 0.797 | S | S | * | * | trans | -167.6 | 93 | 137.3 | -104.3 | -68.7 | 0 | 0 | 0 | 110.6 | ||||
| 187 | R | 31.8 | Very low | 29.9 | Very low | 235 Ų | 235 | 151.2 Ų | 151.2 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | trans | -143.9 | 105.6 | 175.3 | -135 | -173.5 | -167.7 | -171.8 | 5.9 | 113.6 | ||||
| 188 | R | 34.5 | Very low | 30 | Very low | 226 Ų | 226 | 152.1 Ų | 152.1 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -155 | 141.3 | 166.1 | -72.3 | -168.7 | 179.4 | 142.7 | 4.6 | 108.5 | ||||
| 189 | H | 30.6 | Very low | 30.2 | Very low | 160 Ų | 160 | 147.4 Ų | 147.4 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | cis | -148.1 | 139.5 | -16.7 | -107.3 | -72.7 | 0 | 0 | 0 | 107.1 | ||||
| 190 | A | 31.4 | Very low | 30.3 | Very low | 102 Ų | 102 | 151.2 Ų | 151.2 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | trans | -83.6 | 119.2 | 154.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 191 | A | 26.8 | Very low | 30.3 | Very low | 89 Ų | 89 | 151.3 Ų | 151.3 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | trans | -106.2 | 101.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 192 | A | 30.6 | Very low | 30.3 | Very low | 101 Ų | 101 | 147 Ų | 147 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | -82.2 | 122.5 | 154.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 193 | L | 27 | Very low | 29.7 | Very low | 138 Ų | 138 | 152.4 Ų | 152.4 | 72% | 0.723 | 82% | 0.824 | S | S | * | * | trans | -119.8 | 115.8 | 165.4 | -73.8 | 179.6 | 0 | 0 | 0 | 109.1 | F195 | L193-F195 HydrophobicContact CB-CD2 4.32Å; L193-F195 HydrophobicContact CB-CE2 3.93Å; L193-F195 HydrophobicContact CD1-CE2 4.25Å | ||
| 194 | L | 29.5 | Very low | 30 | Very low | 170 Ų | 170 | 146.6 Ų | 146.6 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | trans | -63.1 | 140.5 | 163.3 | -65.1 | 156.9 | 0 | 0 | 0 | 108.8 | ||||
| 195 | F | 28.6 | Very low | 30.1 | Very low | 179 Ų | 179 | 147.4 Ų | 147.4 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | trans | -136.7 | 152.1 | 161 | -82.7 | -76 | 0 | 0 | 0 | 110.3 | L193 | L193-F195 HydrophobicContact CB-CD2 4.32Å; L193-F195 HydrophobicContact CB-CE2 3.93Å; L193-F195 HydrophobicContact CD1-CE2 4.25Å | ||
| 196 | P | 35.4 | Very low | 30.1 | Very low | 118 Ų | 118 | 148.3 Ų | 148.3 | 77% | 0.766 | 83% | 0.826 | S | S | * | * | trans | -100.7 | 175.1 | -148.8 | 39.4 | -38.7 | 0 | 0 | 0 | 115.2 | ||||
| 197 | E | 34 | Very low | 30.2 | Very low | 197 Ų | 197 | 140.8 Ų | 140.8 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | trans | -66.2 | 132.7 | 167.9 | -60.6 | -174.8 | 119.3 | 0 | 0 | 112.6 | ||||
| 198 | A | 27.8 | Very low | 30.1 | Very low | 102 Ų | 102 | 139 Ų | 139 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | trans | -168.8 | 123 | 139.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 199 | G | 29.2 | Very low | 29.8 | Very low | 72 Ų | 72 | 132.6 Ų | 132.6 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | trans | -86.3 | 162.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 200 | L | 28 | Very low | 29.8 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 82% | 0.817 | 81% | 0.813 | S | S | * | * | 177.5 | 127.4 | 129.7 | -90.6 | 164.4 | 0 | 0 | 0 | 110.4 | |||||
| 201 | H | 29.6 | Very low | 30.2 | Very low | 185 Ų | 185 | 133.5 Ų | 133.5 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | 32.1 | 121.5 | 158.7 | -59.1 | 100.6 | 0 | 0 | 0 | 121.7 | ||||
| 202 | G | 26.6 | Very low | 30.6 | Very low | 75 Ų | 75 | 136 Ų | 136 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | -167.7 | 19 | 174.4 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 203 | K | 29.4 | Very low | 31.3 | Very low | 218 Ų | 218 | 138.8 Ų | 138.8 | 95% | 0.948 | 80% | 0.803 | S | S | * | * | trans | 61.9 | 151.8 | 171.5 | -64.4 | -172.8 | 175.8 | -177 | 0 | 118.3 | ||||
| 204 | A | 34.9 | Very low | 32 | Very low | 103 Ų | 103 | 139.4 Ų | 139.4 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -83.9 | 150.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 205 | A | 28.9 | Very low | 32.5 | Very low | 93 Ų | 93 | 136.6 Ų | 136.6 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -149.9 | 138.7 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109 | G207 | A205-G207 PolarHBondContact O-N 3.39Å; A205-G207 VanDerWaalsContact O-N 3.14Å | ||
| 206 | D | 30.5 | Very low | 33.3 | Very low | 158 Ų | 158 | 130.2 Ų | 130.2 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | trans | -75.3 | 99.5 | -158 | -59.7 | -92.4 | 0 | 0 | 0 | 116 | K208 | D206-K208 PolarHBondContact O-N 3.09Å; D206-K208 VanDerWaalsContact O-N 3.15Å | ||
| 207 | G | 29.2 | Very low | 33.9 | Very low | 79 Ų | 79 | 128 Ų | 128 | 81% | 0.814 | 77% | 0.765 | S | S | * | * | trans | -80.8 | 74.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A205 A209 | A205-G207 PolarHBondContact O-N 3.39Å; A205-G207 VanDerWaalsContact O-N 3.14Å; G207-A209 PolarHBondContact O-N 3.2Å | ||
| 208 | K | 29.8 | Very low | 34.8 | Very low | 199 Ų | 199 | 123.9 Ų | 123.9 | 87% | 0.865 | 75% | 0.749 | S | S | * | * | trans | -62.9 | 102 | 172.3 | -93.8 | -175.5 | 176.4 | 178.1 | 0 | 111 | D206 R210 | D206-K208 PolarHBondContact O-N 3.09Å; D206-K208 VanDerWaalsContact O-N 3.15Å; K208-R210 PolarHBondContact O-N 2.88Å | ||
| 209 | A | 27.5 | Very low | 36 | Very low | 91 Ų | 91 | 124.8 Ų | 124.8 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | trans | -59.4 | 122.1 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | G207 P211 | G207-A209 PolarHBondContact O-N 3.2Å; A209-P211 WeakPolarHBondContact O-CD 3.49Å | ||
| 210 | R | 31.6 | Very low | 37 | Very low | 185 Ų | 185 | 127.4 Ų | 127.4 | 70% | 0.698 | 73% | 0.734 | S | S | * | * | trans | -72.2 | 117.1 | 172.4 | -82.9 | -176.4 | 164.1 | -176 | -4.2 | 109.3 | D29 K208 | D29-R210 IonicContact OD1-NH2 2.78Å; D29-R210 PolarHBondContact OD1-NH2 2.91Å; D29-R210 VanDerWaalsContact OD1-NH2 3.15Å; K208-R210 PolarHBondContact O-N 2.88Å | ||
| 211 | P | 40.3 | Very low | 38.2 | Very low | 96 Ų | 96 | 127.6 Ų | 127.6 | 62% | 0.623 | 74% | 0.736 | S | S | * | * | trans | -88.8 | -1.8 | -173.3 | 33.8 | -32.3 | 0 | 0 | 0 | 115.1 | A209 | A209-P211 WeakPolarHBondContact O-CD 3.49Š| ||
| 212 | D | 34 | Very low | 39.8 | Very low | 141 Ų | 141 | 121.5 Ų | 121.5 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | 13.8 | -159.2 | -54 | -62.1 | 0 | 0 | 0 | 117.3 | ||
| 213 | L | 45.5 | Very low | 41.8 | Very low | 159 Ų | 159 | 119.3 Ų | 119.3 | 83% | 0.832 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.7 | -0.8 | 175.6 | -78.3 | 166.5 | 0 | 0 | 0 | 114.4 | C215 | L213-C215 PolarHBondContact O-N 2.89Š|
| 214 | L | 41.4 | Very low | 44.1 | Very low | 151 Ų | 151 | 112 Ų | 112 | 79% | 0.791 | 67% | 0.665 | S | S | * | * | trans | -89.4 | 48.2 | -174.8 | -69.1 | 176.3 | 0 | 0 | 0 | 114.4 | ||||
| 215 | C | 39.7 | Very low | 46.1 | Very low | 112 Ų | 112 | 111.7 Ų | 111.7 | 76% | 0.757 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -154.4 | 64.2 | 167.3 | -159.9 | 0 | 0 | 0 | 0 | 115.5 | L213 | L213-C215 PolarHBondContact O-N 2.89Š|
| 216 | S | 46.1 | Very low | 48.7 | Very low | 44 Ų | 44 | 107.3 Ų | 107.3 | 31% | 0.308 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -153.8 | 1.1 | 163 | -81.4 | 0 | 0 | 0 | 0 | 116 | K225 L239 | S216-K225 VanDerWaalsContact O-O 3.09Å; S216-L239 WeakPolarHBondContact O-CD2 3.41Å |
| 217 | S | 49.1 | Very low | 50.9 | Low | 73 Ų | 73 | 104.3 Ų | 104.3 | 51% | 0.51 | 60% | 0.596 | S | S | . | * | trans | -107.6 | 84.1 | -173.4 | 54.6 | 0 | 0 | 0 | 0 | 113.3 | I219 | S217-I219 PolarHBondContact O-N 3.45Š| ||
| 218 | L | 52.6 | Low | 53.2 | Low | 109 Ų | 109 | 107.6 Ų | 107.6 | 57% | 0.571 | 59% | 0.587 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.3 | 97 | 154.9 | -76.9 | 168.3 | 0 | 0 | 0 | 108 | L220 | L218-L220 PolarHBondContact O-N 3.06Å; L218-L220 VanDerWaalsContact O-N 3.14Å |
| 219 | I | 53 | Low | 55.7 | Low | 121 Ų | 121 | 100.8 Ų | 100.8 | 62% | 0.621 | 56% | 0.564 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.1 | 96.6 | 175.7 | -56 | 179.8 | 0 | 0 | 0 | 108.3 | S217 | S217-I219 PolarHBondContact O-N 3.45Å |
| 220 | L | 49.8 | Very low | 58.2 | Low | 127 Ų | 127 | 98.1 Ų | 98.1 | 67% | 0.665 | 55% | 0.546 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 117.1 | 157.1 | -106.3 | 76.3 | 0 | 0 | 0 | 107.7 | L218 G222 A223 | L218-L220 PolarHBondContact O-N 3.06Å; L218-L220 VanDerWaalsContact O-N 3.14Å; L220-G222 PolarHBondContact O-N 2.84Å; L220-A223 PolarHBondContact O-N 3.25Å; L220-A223 VanDerWaalsContact O-N 3.1Å |
| 221 | N | 52.7 | Low | 60.5 | Low | 161 Ų | 161 | 95.1 Ų | 95.1 | 86% | 0.861 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 48.1 | 165.3 | -55 | -33.8 | 0 | 0 | 0 | 114.9 | A223 | N221-A223 VanDerWaalsContact C-N 3.29Å; N221-A223 PolarHBondContact O-N 2.88Å |
| 222 | G | 62.4 | Low | 62.5 | Low | 57 Ų | 57 | 94.9 Ų | 94.9 | 59% | 0.588 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 10.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L220 | L220-G222 PolarHBondContact O-N 2.84Š|
| 223 | A | 69.8 | Low | 64.9 | Low | 29 Ų | 29 | 90.5 Ų | 90.5 | 24% | 0.24 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 137.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L220 N221 V232 | L220-A223 PolarHBondContact O-N 3.25Å; L220-A223 VanDerWaalsContact O-N 3.1Å; N221-A223 VanDerWaalsContact C-N 3.29Å; N221-A223 PolarHBondContact O-N 2.88Å; A223-V232 HydrophobicContact CB-CG1 3.44Å; A223-V232 VanDerWaalsContact CB-CG1 3.44Å |
| 224 | Y | 77.8 | Confident | 66.6 | Low | 65 Ų | 65 | 88 Ų | 88 | 26% | 0.255 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 108.5 | -171.7 | -62.6 | -92.4 | 0 | 0 | 0 | 110.5 | V232 F233 T235 P236 | Y224-V232 CarbonylContact O-C 3.58Å; Y224-V232 WeakPolarHBondContact O-CA 3.5Å; Y224-F233 PolarHBondContact N-O 3.33Å; Y224-F233 PolarHBondContact O-N 3.15Å; Y224-T235 VanDerWaalsContact CD2-C 3.44Å; Y224-P236 HydrophobicContact CD1-CB 4Å; Y224-P236 HydrophobicContact CE1-CB 3.61Å; Y224-P236 HydrophobicContact CE1-CG 4.22Å; Y224-P236 HydrophobicContact CE2-CB 4.47Å; Y224-P236 HydrophobicContact CE2-CG 4.46Å |
| 225 | K | 77.6 | Confident | 68.5 | Low | 95 Ų | 95 | 84 Ų | 84 | 41% | 0.413 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 125.3 | -176.5 | -173.4 | 179 | 178.2 | -176.3 | 0 | 112.7 | S216 V227 K231 V232 | S216-K225 VanDerWaalsContact O-O 3.09Å; K225-V227 PolarHBondContact O-N 2.78Å; K225-K231 CarbonylContact C-O 3.55Å; K225-K231 WeakPolarHBondContact CA-O 3.28Å; K225-V232 HydrophobicContact CB-CG2 4.3Å; K225-V232 HydrophobicContact CG-CG2 4.16Å |
| 226 | C | 81.6 | Confident | 70.3 | Confident | 1 Ų | 1 | 82 Ų | 82 | 1% | 0.007 | 47% | 0.472 | C | S | . | . | trans | -68 | 120.6 | 169.8 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | K228 G230 K231 F233 L239 H242 | C226-K228 VanDerWaalsContact C-N 3.34Å; C226-K228 PolarHBondContact O-N 2.97Å; C226-G230 WeakPolarHBondContact O-CA 3.48Å; C226-G230 PolarHBondContact O-N 2.78Å; C226-K231 PolarHBondContact N-O 2.72Å; C226-F233 HydrophobicContact CB-CE2 4.24Å; C226-L239 VanDerWaalsContact CA-CD1 3.48Å; C226-L239 HydrophobicContact CB-CD1 3.54Å; C226-H242 WeakPolarHBondContact CB-NE2 3.39Å; C226-H242 PolarHBondContact SG-NE2 3.12Å | ||
| 227 | V | 77.4 | Confident | 71.9 | Confident | 96 Ų | 96 | 85.8 Ų | 85.8 | 58% | 0.582 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -38.5 | 178.5 | -175.8 | 0 | 0 | 0 | 0 | 111.6 | K225 | K225-V227 PolarHBondContact O-N 2.78Š|
| 228 | K | 77.9 | Confident | 73.4 | Confident | 147 Ų | 147 | 83.3 Ų | 83.3 | 64% | 0.639 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -20.1 | -174.2 | -69.4 | -175.6 | 176.2 | -176.4 | 0 | 115.4 | C226 H247 | C226-K228 VanDerWaalsContact C-N 3.34Å; C226-K228 PolarHBondContact O-N 2.97Å; K228-H247 HydrophobicContact CD-CB 3.7Å |
| 229 | C | 81.3 | Confident | 74.8 | Confident | 56 Ų | 56 | 78.6 Ų | 78.6 | 38% | 0.378 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.9 | 11.5 | 179 | 81.4 | 0 | 0 | 0 | 0 | 115.3 | K231 H242 | C229-K231 PolarHBondContact O-N 2.82Å; C229-K231 VanDerWaalsContact SG-CG 3.55Å; C229-H242 PolarHBondContact SG-CE1 3.48Å; C229-H242 PolarHBondContact SG-NE2 3.37Å |
| 230 | G | 79.7 | Confident | 76 | Confident | 36 Ų | 36 | 77.4 Ų | 77.4 | 37% | 0.371 | 44% | 0.438 | S | S | . | . | trans | 67.7 | -2.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | C226 | C226-G230 WeakPolarHBondContact O-CA 3.48Å; C226-G230 PolarHBondContact O-N 2.78Å | ||
| 231 | K | 81.1 | Confident | 77.3 | Confident | 121 Ų | 121 | 72.4 Ų | 72.4 | 53% | 0.526 | 41% | 0.413 | S | S | . | . | trans | -66.7 | 136.7 | -177.7 | -75 | 179.3 | -175.2 | 176.6 | 0 | 111.2 | K225 C226 C229 F233 | K225-K231 CarbonylContact C-O 3.55Å; K225-K231 WeakPolarHBondContact CA-O 3.28Å; C226-K231 PolarHBondContact N-O 2.72Å; C229-K231 PolarHBondContact O-N 2.82Å; C229-K231 VanDerWaalsContact SG-CG 3.55Å; K231-F233 HydrophobicContact CB-CE2 3.63Å; K231-F233 HydrophobicContact CB-CZ 3.85Å; K231-F233 HydrophobicContact CD-CZ 4.44Å; K231-F233 WeakPolarHBondContact O-CE2 3.23Å | ||
| 232 | V | 82.8 | Confident | 78.7 | Confident | 92 Ų | 92 | 65.5 Ų | 65.5 | 56% | 0.558 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 136.2 | -178.7 | -177.9 | 0 | 0 | 0 | 0 | 109.9 | A223 Y224 K225 | A223-V232 HydrophobicContact CB-CG1 3.44Å; A223-V232 VanDerWaalsContact CB-CG1 3.44Å; Y224-V232 CarbonylContact O-C 3.58Å; Y224-V232 WeakPolarHBondContact O-CA 3.5Å; K225-V232 HydrophobicContact CB-CG2 4.3Å; K225-V232 HydrophobicContact CG-CG2 4.16Å |
| 233 | F | 82.8 | Confident | 79.5 | Confident | 49 Ų | 49 | 64.1 Ų | 64.1 | 22% | 0.215 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 146.7 | -178.6 | -61.5 | -88.1 | 0 | 0 | 0 | 110 | Y224 C226 K231 T235 L239 H242 | Y224-F233 PolarHBondContact N-O 3.33Å; Y224-F233 PolarHBondContact O-N 3.15Å; C226-F233 HydrophobicContact CB-CE2 4.24Å; K231-F233 HydrophobicContact CB-CE2 3.63Å; K231-F233 HydrophobicContact CB-CZ 3.85Å; K231-F233 HydrophobicContact CD-CZ 4.44Å; K231-F233 WeakPolarHBondContact O-CE2 3.23Å; F233-T235 VanDerWaalsContact C-N 3.33Å; F233-L239 HydrophobicContact CB-CB 4.24Å; F233-L239 HydrophobicContact CD2-CB 3.98Å; F233-L239 HydrophobicContact CD2-CD1 3.88Å; F233-L239 HydrophobicContact CE2-CD1 4.11Å; F233-L239 HydrophobicContact CG-CB 4.24Å; F233-H242 HydrophobicContact CE1-CB 3.7Å; F233-H242 HydrophobicContact CE2-CB 3.88Å; F233-H242 AromaticContact CE2-CD2 3.31Å; F233-H242 WeakPolarHBondContact CE2-CD2 3.26Å; F233-H242 AromaticContact CE2-CG 3.58Å; F233-H242 HydrophobicContact CZ-CB 3.35Å; F233-H242 AromaticContact CZ-CD2 3.42Å; F233-H242 VanDerWaalsContact CZ-CD2 3.42Å; F233-H242 WeakPolarHBondContact CZ-CD2 3.48Å; F233-H242 AromaticContact CZ-CG 3.15Å; F233-H242 AromaticContact CZ-ND1 3.75Å |
| 234 | S | 82.1 | Confident | 79.7 | Confident | 106 Ų | 106 | 68.6 Ų | 68.6 | 74% | 0.741 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -80.7 | -11.8 | 176.7 | 50.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 235 | T | 81.8 | Confident | 79.5 | Confident | 66 Ų | 66 | 69.6 Ų | 69.6 | 41% | 0.405 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -136.2 | 149.2 | -177.1 | 63.4 | 0 | 0 | 0 | 0 | 111.6 | Y224 F233 G238 L239 | Y224-T235 VanDerWaalsContact CD2-C 3.44Å; F233-T235 VanDerWaalsContact C-N 3.33Å; T235-G238 PolarHBondContact O-N 3.3Å; T235-G238 PolarHBondContact OG1-N 3.23Å; T235-G238 VanDerWaalsContact OG1-N 3.12Å; T235-L239 PolarHBondContact O-N 2.91Å |
| 236 | P | 77.8 | Confident | 79.3 | Confident | 72 Ų | 72 | 68.3 Ų | 68.3 | 47% | 0.468 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.6 | -42 | 179.5 | 24.1 | -29.7 | 0 | 0 | 0 | 110.8 | Y224 G238 L239 E240 | Y224-P236 HydrophobicContact CD1-CB 4Å; Y224-P236 HydrophobicContact CE1-CB 3.61Å; Y224-P236 HydrophobicContact CE1-CG 4.22Å; Y224-P236 HydrophobicContact CE2-CB 4.47Å; Y224-P236 HydrophobicContact CE2-CG 4.46Å; P236-G238 VanDerWaalsContact C-N 3.27Å; P236-G238 PolarHBondContact O-N 2.64Å; P236-L239 WeakPolarHBondContact O-CB 3.23Å; P236-L239 PolarHBondContact O-N 3.05Å; P236-L239 VanDerWaalsContact O-N 3.1Å; P236-E240 WeakPolarHBondContact O-CB 3.4Å; P236-E240 PolarHBondContact O-N 3.09Å |
| 237 | H | 79.4 | Confident | 79.1 | Confident | 123 Ų | 123 | 71.2 Ų | 71.2 | 57% | 0.569 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -59.4 | -37.7 | 174.1 | -173.9 | 60.2 | 0 | 0 | 0 | 112 | L239 E240 V241 | H237-L239 VanDerWaalsContact C-N 3.33Å; H237-L239 PolarHBondContact O-N 3.46Å; H237-E240 IonicContact CE1-OE2 3.73Å; H237-E240 IonicContact ND1-OE2 3.93Å; H237-E240 PolarHBondContact ND1-OE2 2.86Å; H237-E240 VanDerWaalsContact ND1-OE2 3.07Å; H237-E240 PolarHBondContact O-N 3.26Å; H237-V241 WeakPolarHBondContact CE1-CG2 3.3Å; H237-V241 WeakPolarHBondContact O-CB 3.22Å; H237-V241 WeakPolarHBondContact O-CG2 3.39Å; H237-V241 PolarHBondContact O-N 3.04Å |
| 238 | G | 80.5 | Confident | 78.6 | Confident | 21 Ų | 21 | 69.7 Ų | 69.7 | 22% | 0.216 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.9 | -40.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | T235 P236 H242 | T235-G238 PolarHBondContact O-N 3.3Å; T235-G238 PolarHBondContact OG1-N 3.23Å; T235-G238 VanDerWaalsContact OG1-N 3.12Å; P236-G238 VanDerWaalsContact C-N 3.27Å; P236-G238 PolarHBondContact O-N 2.64Å; G238-H242 VanDerWaalsContact O-CB 3.24Å; G238-H242 WeakPolarHBondContact O-CB 3.42Å; G238-H242 PolarHBondContact O-N 2.89Å |
| 239 | L | 81.2 | Confident | 77.9 | Confident | 9 Ų | 9 | 65.5 Ų | 65.5 | 5% | 0.047 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -69.5 | -51.5 | 174.7 | 171.3 | 59.7 | 0 | 0 | 0 | 112.1 | S216 C226 F233 T235 P236 H237 V241 H242 V243 | S216-L239 WeakPolarHBondContact O-CD2 3.41Å; C226-L239 VanDerWaalsContact CA-CD1 3.48Å; C226-L239 HydrophobicContact CB-CD1 3.54Å; F233-L239 HydrophobicContact CB-CB 4.24Å; F233-L239 HydrophobicContact CD2-CB 3.98Å; F233-L239 HydrophobicContact CD2-CD1 3.88Å; F233-L239 HydrophobicContact CE2-CD1 4.11Å; F233-L239 HydrophobicContact CG-CB 4.24Å; T235-L239 PolarHBondContact O-N 2.91Å; P236-L239 WeakPolarHBondContact O-CB 3.23Å; P236-L239 PolarHBondContact O-N 3.05Å; P236-L239 VanDerWaalsContact O-N 3.1Å; H237-L239 VanDerWaalsContact C-N 3.33Å; H237-L239 PolarHBondContact O-N 3.46Å; L239-V241 VanDerWaalsContact C-N 3.32Å; L239-V241 PolarHBondContact O-N 3.46Å; L239-H242 CarbonylContact O-C 3.57Å; L239-H242 WeakPolarHBondContact O-CA 3.46Å; L239-H242 WeakPolarHBondContact O-CB 3.38Å; L239-H242 PolarHBondContact O-N 3.45Å; L239-V243 HydrophobicContact CD1-CG2 3.86Å; L239-V243 HydrophobicContact CG-CG2 4.48Å; L239-V243 WeakPolarHBondContact O-CG2 3.37Å; L239-V243 PolarHBondContact O-N 2.87Å |
| 240 | E | 78.1 | Confident | 77.2 | Confident | 97 Ų | 97 | 66 Ų | 66 | 45% | 0.453 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -51.5 | -52.5 | 178.2 | -178.2 | -137.9 | 147.3 | 0 | 0 | 110.8 | P236 H237 H242 V243 R244 | P236-E240 WeakPolarHBondContact O-CB 3.4Å; P236-E240 PolarHBondContact O-N 3.09Å; H237-E240 IonicContact CE1-OE2 3.73Å; H237-E240 IonicContact ND1-OE2 3.93Å; H237-E240 PolarHBondContact ND1-OE2 2.86Å; H237-E240 VanDerWaalsContact ND1-OE2 3.07Å; H237-E240 PolarHBondContact O-N 3.26Å; E240-H242 VanDerWaalsContact C-N 3.33Å; E240-H242 PolarHBondContact O-N 3.27Å; E240-V243 PolarHBondContact O-N 2.96Å; E240-R244 WeakPolarHBondContact O-CB 3.49Å; E240-R244 PolarHBondContact O-N 3.21Å |
| 241 | V | 78.4 | Confident | 76.9 | Confident | 22 Ų | 22 | 69.5 Ų | 69.5 | 13% | 0.133 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 177.8 | 167.5 | 0 | 0 | 0 | 0 | 112.1 | H237 L239 R245 | H237-V241 WeakPolarHBondContact CE1-CG2 3.3Å; H237-V241 WeakPolarHBondContact O-CB 3.22Å; H237-V241 WeakPolarHBondContact O-CG2 3.39Å; H237-V241 PolarHBondContact O-N 3.04Å; L239-V241 VanDerWaalsContact C-N 3.32Å; L239-V241 PolarHBondContact O-N 3.46Å; V241-R245 HydrophobicContact CG1-CG 4.47Å; V241-R245 VanDerWaalsContact O-CB 3.27Å; V241-R245 WeakPolarHBondContact O-CB 3.18Å; V241-R245 WeakPolarHBondContact O-CD 3.35Å; V241-R245 WeakPolarHBondContact O-CG 3.4Å; V241-R245 PolarHBondContact O-N 2.87Å |
| 242 | H | 81.1 | Confident | 76.6 | Confident | 16 Ų | 16 | 67 Ų | 67 | 7% | 0.074 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.9 | -46.9 | 173.7 | 158.3 | 65.2 | 0 | 0 | 0 | 111.9 | C226 C229 F233 G238 L239 E240 R245 S246 H247 | C226-H242 WeakPolarHBondContact CB-NE2 3.39Å; C226-H242 PolarHBondContact SG-NE2 3.12Å; C229-H242 PolarHBondContact SG-CE1 3.48Å; C229-H242 PolarHBondContact SG-NE2 3.37Å; F233-H242 HydrophobicContact CE1-CB 3.7Å; F233-H242 HydrophobicContact CE2-CB 3.88Å; F233-H242 AromaticContact CE2-CD2 3.31Å; F233-H242 WeakPolarHBondContact CE2-CD2 3.26Å; F233-H242 AromaticContact CE2-CG 3.58Å; F233-H242 HydrophobicContact CZ-CB 3.35Å; F233-H242 AromaticContact CZ-CD2 3.42Å; F233-H242 VanDerWaalsContact CZ-CD2 3.42Å; F233-H242 WeakPolarHBondContact CZ-CD2 3.48Å; F233-H242 AromaticContact CZ-CG 3.15Å; F233-H242 AromaticContact CZ-ND1 3.75Å; G238-H242 VanDerWaalsContact O-CB 3.24Å; G238-H242 WeakPolarHBondContact O-CB 3.42Å; G238-H242 PolarHBondContact O-N 2.89Å; L239-H242 CarbonylContact O-C 3.57Å; L239-H242 WeakPolarHBondContact O-CA 3.46Å; L239-H242 WeakPolarHBondContact O-CB 3.38Å; L239-H242 PolarHBondContact O-N 3.45Å; E240-H242 VanDerWaalsContact C-N 3.33Å; E240-H242 PolarHBondContact O-N 3.27Å; H242-R245 PolarHBondContact O-N 2.96Å; H242-S246 PolarHBondContact CE1-OG 3.21Å; H242-S246 PolarHBondContact ND1-OG 3.32Å; H242-S246 WeakPolarHBondContact O-CB 3.35Å; H242-S246 PolarHBondContact O-N 2.95Å; H242-S246 PolarHBondContact O-OG 2.67Å; H242-H247 AromaticContact CE1-NE2 3.78Å; H242-H247 AromaticContact NE2-CD2 3.88Å; H242-H247 AromaticContact NE2-NE2 3.54Å |
| 243 | V | 78.6 | Confident | 76.5 | Confident | 27 Ų | 27 | 66 Ų | 66 | 16% | 0.164 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.9 | -50.3 | 178.6 | 173.7 | 0 | 0 | 0 | 0 | 109.9 | L239 E240 R245 S246 H247 S248 | L239-V243 HydrophobicContact CD1-CG2 3.86Å; L239-V243 HydrophobicContact CG-CG2 4.48Å; L239-V243 WeakPolarHBondContact O-CG2 3.37Å; L239-V243 PolarHBondContact O-N 2.87Å; E240-V243 PolarHBondContact O-N 2.96Å; V243-R245 VanDerWaalsContact C-N 3.3Å; V243-R245 PolarHBondContact O-N 3.22Å; V243-S246 PolarHBondContact O-N 3.22Å; V243-H247 HydrophobicContact CG1-CB 4.42Å; V243-H247 WeakPolarHBondContact O-CA 3.49Å; V243-H247 WeakPolarHBondContact O-CB 3.24Å; V243-H247 PolarHBondContact O-N 3.39Å; V243-S248 PolarHBondContact O-N 3.41Å; V243-S248 VanDerWaalsContact O-N 3.12Å; V243-S248 PolarHBondContact O-OG 3.46Å |
| 244 | R | 74.4 | Confident | 76.5 | Confident | 124 Ų | 124 | 65.9 Ų | 65.9 | 47% | 0.468 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -55.9 | -40.8 | 178.3 | -168.1 | 174.8 | -179.1 | 175.9 | 1 | 113.1 | E240 T250 | E240-R244 WeakPolarHBondContact O-CB 3.49Å; E240-R244 PolarHBondContact O-N 3.21Å; R244-T250 WeakPolarHBondContact CG-OG1 3.3Å; R244-T250 PolarHBondContact O-OG1 3.45Å; R244-T250 VanDerWaalsContact O-OG1 3.05Å |
| 245 | R | 74.8 | Confident | 76.7 | Confident | 86 Ų | 86 | 60.9 Ų | 60.9 | 33% | 0.325 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -83.5 | -28.8 | -178.9 | -70.9 | 173.6 | 178 | 152.4 | 11.8 | 115 | V241 H242 V243 G263 H264 | V241-R245 HydrophobicContact CG1-CG 4.47Å; V241-R245 VanDerWaalsContact O-CB 3.27Å; V241-R245 WeakPolarHBondContact O-CB 3.18Å; V241-R245 WeakPolarHBondContact O-CD 3.35Å; V241-R245 WeakPolarHBondContact O-CG 3.4Å; V241-R245 PolarHBondContact O-N 2.87Å; H242-R245 PolarHBondContact O-N 2.96Å; V243-R245 VanDerWaalsContact C-N 3.3Å; V243-R245 PolarHBondContact O-N 3.22Å; R245-G263 PolarHBondContact NE-O 3.13Å; R245-G263 PolarHBondContact NH2-O 3.05Å; R245-H264 VanDerWaalsContact CZ-CE1 3.49Å; R245-H264 PolarHBondContact NH1-CE1 2.83Å; R245-H264 PolarHBondContact NH1-ND1 2.95Å; R245-H264 PolarHBondContact NH1-NE2 3.15Å; R245-H264 VanDerWaalsContact NH1-NE2 3.17Å |
| 246 | S | 73.1 | Confident | 76.8 | Confident | 67 Ų | 67 | 63.9 Ų | 63.9 | 47% | 0.469 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -111 | -21.3 | -167.1 | -38 | 0 | 0 | 0 | 0 | 113.8 | H242 V243 | H242-S246 PolarHBondContact CE1-OG 3.21Å; H242-S246 PolarHBondContact ND1-OG 3.32Å; H242-S246 WeakPolarHBondContact O-CB 3.35Å; H242-S246 PolarHBondContact O-N 2.95Å; H242-S246 PolarHBondContact O-OG 2.67Å; V243-S246 PolarHBondContact O-N 3.22Å |
| 247 | H | 76.9 | Confident | 77.1 | Confident | 62 Ų | 62 | 65.8 Ų | 65.8 | 29% | 0.287 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.7 | -29.8 | -173.8 | -63.2 | -54.6 | 0 | 0 | 0 | 113.5 | K228 H242 V243 | K228-H247 HydrophobicContact CD-CB 3.7Å; H242-H247 AromaticContact CE1-NE2 3.78Å; H242-H247 AromaticContact NE2-CD2 3.88Å; H242-H247 AromaticContact NE2-NE2 3.54Å; V243-H247 HydrophobicContact CG1-CB 4.42Å; V243-H247 WeakPolarHBondContact O-CA 3.49Å; V243-H247 WeakPolarHBondContact O-CB 3.24Å; V243-H247 PolarHBondContact O-N 3.39Å |
| 248 | S | 66.8 | Low | 77.4 | Confident | 65 Ų | 65 | 62 Ų | 62 | 46% | 0.455 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -91.2 | -3.2 | -176.9 | -46 | 0 | 0 | 0 | 0 | 114.5 | V243 T250 | V243-S248 PolarHBondContact O-N 3.41Å; V243-S248 VanDerWaalsContact O-N 3.12Å; V243-S248 PolarHBondContact O-OG 3.46Å; S248-T250 PolarHBondContact O-N 3.17Å |
| 249 | G | 64.1 | Low | 77.3 | Confident | 58 Ų | 58 | 63.8 Ų | 63.8 | 60% | 0.598 | 36% | 0.362 | S | S | * | . | trans | 68.6 | -22.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | R251 | G249-R251 PolarHBondContact O-N 3.27Š| ||
| 250 | T | 66.2 | Low | 77.3 | Confident | 68 Ų | 68 | 69.3 Ų | 69.3 | 42% | 0.417 | 39% | 0.386 | S | S | . | . | trans | -61.7 | 98.2 | 178.7 | 54.8 | 0 | 0 | 0 | 0 | 111.4 | R244 S248 P252 | R244-T250 WeakPolarHBondContact CG-OG1 3.3Å; R244-T250 PolarHBondContact O-OG1 3.45Å; R244-T250 VanDerWaalsContact O-OG1 3.05Å; S248-T250 PolarHBondContact O-N 3.17Å; T250-P252 WeakPolarHBondContact O-CD 3.47Å | ||
| 251 | R | 72.1 | Confident | 77.5 | Confident | 109 Ų | 109 | 67.6 Ų | 67.6 | 41% | 0.411 | 38% | 0.382 | S | S | . | . | trans | -105.5 | 94.2 | 175.5 | -74 | 168.4 | 69.5 | 100.1 | -4 | 107 | G249 F253 T261 F262 | G249-R251 PolarHBondContact O-N 3.27Å; R251-F253 PolarHBondContact O-N 3.33Å; R251-F253 VanDerWaalsContact O-N 3.07Å; R251-T261 WeakPolarHBondContact CB-OG1 3.35Å; R251-T261 VanDerWaalsContact CZ-O 3.23Å; R251-T261 PolarHBondContact NE-O 2.94Å; R251-T261 PolarHBondContact NH2-O 3.05Å; R251-T261 WeakPolarHBondContact O-CB 3.46Å; R251-F262 CarbonylContact C-O 3.28Å; R251-F262 VanDerWaalsContact C-O 3.23Å | ||
| 252 | P | 76.2 | Confident | 77.6 | Confident | 68 Ų | 68 | 68.2 Ų | 68.2 | 44% | 0.442 | 38% | 0.383 | S | S | . | . | trans | -67.3 | -17.9 | -160.2 | -22.1 | 34.5 | 0 | 0 | 0 | 114.8 | T250 | T250-P252 WeakPolarHBondContact O-CD 3.47Š| ||
| 253 | F | 80.4 | Confident | 77.4 | Confident | 70 Ų | 70 | 67.8 Ų | 67.8 | 31% | 0.307 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 88.9 | -170.9 | -56.3 | -78.3 | 0 | 0 | 0 | 109.7 | R251 T261 F262 A265 L268 | R251-F253 PolarHBondContact O-N 3.33Å; R251-F253 VanDerWaalsContact O-N 3.07Å; F253-T261 CarbonylContact O-C 3.59Å; F253-T261 WeakPolarHBondContact O-CA 3.44Å; F253-F262 HydrophobicContact CB-CB 4.23Å; F253-F262 WeakPolarHBondContact CD2-O 3.33Å; F253-F262 PolarHBondContact N-O 2.78Å; F253-F262 WeakPolarHBondContact O-CD2 3.14Å; F253-F262 PolarHBondContact O-N 2.81Å; F253-A265 HydrophobicContact CD1-CB 3.9Å; F253-A265 HydrophobicContact CE1-CB 3.7Å; F253-A265 HydrophobicContact CG-CB 4.46Å; F253-A265 HydrophobicContact CZ-CB 4.1Å; F253-L268 HydrophobicContact CB-CB 3.91Å; F253-L268 HydrophobicContact CB-CD2 3.82Å; F253-L268 HydrophobicContact CB-CG 4.48Å |
| 254 | A | 82.8 | Confident | 77.4 | Confident | 47 Ų | 47 | 70.8 Ų | 70.8 | 39% | 0.388 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 149 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K260 T261 L268 | A254-K260 CarbonylContact C-O 3.59Å; A254-T261 HydrophobicContact CB-CG2 4.2Å; A254-L268 WeakPolarHBondContact O-CD1 3.37Å; A254-L268 WeakPolarHBondContact O-CD2 3.36Å |
| 255 | C | 85.6 | Confident | 77.8 | Confident | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.014 | 39% | 0.393 | C | S | . | . | trans | -93.6 | 114.2 | 171.3 | -176.2 | 0 | 0 | 0 | 0 | 110.9 | I257 C258 G259 K260 F262 L268 H271 H275 | C255-I257 PolarHBondContact O-N 3.41Å; C255-C258 PolarHBondContact O-N 3.28Å; C255-C258 VanDerWaalsContact O-N 3.16Å; C255-G259 WeakPolarHBondContact O-CA 3.35Å; C255-G259 PolarHBondContact O-N 3.16Å; C255-K260 WeakPolarHBondContact CB-O 3.32Å; C255-K260 PolarHBondContact N-O 3.11Å; C255-F262 HydrophobicContact CB-CE2 4.29Å; C255-L268 HydrophobicContact CB-CD1 3.64Å; C255-H271 VanDerWaalsContact SG-CD2 3.57Å; C255-H275 PolarHBondContact SG-NE2 3.45Å | ||
| 256 | D | 84.1 | Confident | 78.1 | Confident | 128 Ų | 128 | 68 Ų | 68 | 68% | 0.684 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -25.2 | -177.9 | -36.2 | -59.2 | 0 | 0 | 0 | 113.6 | K272 | D256-K272 VanDerWaalsContact OD2-CE 3.24Å; D256-K272 WeakPolarHBondContact OD2-CE 3.42Å; D256-K272 IonicContact OD2-NZ 3.07Å; D256-K272 PolarHBondContact OD2-NZ 3.17Å |
| 257 | I | 83.9 | Confident | 78.6 | Confident | 112 Ų | 112 | 67 Ų | 67 | 57% | 0.574 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -27.6 | -175.5 | -58.7 | 169.6 | 0 | 0 | 0 | 112.7 | C255 H275 | C255-I257 PolarHBondContact O-N 3.41Å; I257-H275 HydrophobicContact CD1-CB 3.65Å; I257-H275 HydrophobicContact CG2-CB 4.38Å |
| 258 | C | 85.2 | Confident | 79 | Confident | 43 Ų | 43 | 65.1 Ų | 65.1 | 29% | 0.291 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142.7 | 11.7 | -172.7 | 72.9 | 0 | 0 | 0 | 0 | 115.7 | C255 K260 H271 H275 | C255-C258 PolarHBondContact O-N 3.28Å; C255-C258 VanDerWaalsContact O-N 3.16Å; C258-K260 PolarHBondContact O-N 3.35Å; C258-H271 PolarHBondContact SG-NE2 3.3Å; C258-H275 WeakPolarHBondContact CB-CE1 3.48Å; C258-H275 WeakPolarHBondContact CB-NE2 3.48Å; C258-H275 PolarHBondContact SG-CE1 2.8Å; C258-H275 PolarHBondContact SG-NE2 3.04Å |
| 259 | G | 79.9 | Confident | 79.7 | Confident | 59 Ų | 59 | 68.6 Ų | 68.6 | 61% | 0.608 | 40% | 0.401 | S | S | * | . | trans | 66.7 | -4.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | C255 T261 | C255-G259 WeakPolarHBondContact O-CA 3.35Å; C255-G259 PolarHBondContact O-N 3.16Å; G259-T261 PolarHBondContact O-N 3.02Å | ||
| 260 | K | 81.1 | Confident | 80.5 | Confident | 125 Ų | 125 | 70.3 Ų | 70.3 | 54% | 0.543 | 39% | 0.393 | S | S | . | . | trans | -66.2 | 125.3 | -176.7 | -71.5 | 178.2 | -175.5 | 171.7 | 0 | 110.9 | A254 C255 C258 F262 | A254-K260 CarbonylContact C-O 3.59Å; C255-K260 WeakPolarHBondContact CB-O 3.32Å; C255-K260 PolarHBondContact N-O 3.11Å; C258-K260 PolarHBondContact O-N 3.35Å; K260-F262 HydrophobicContact CB-CE2 3.83Å; K260-F262 HydrophobicContact CB-CZ 4.03Å; K260-F262 WeakPolarHBondContact O-CD2 3.49Å; K260-F262 WeakPolarHBondContact O-CE2 3.39Å | ||
| 261 | T | 81.6 | Confident | 81.4 | Confident | 62 Ų | 62 | 68.1 Ų | 68.1 | 38% | 0.38 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 148.2 | -179.8 | 59.8 | 0 | 0 | 0 | 0 | 112 | R251 F253 A254 G259 | R251-T261 WeakPolarHBondContact CB-OG1 3.35Å; R251-T261 VanDerWaalsContact CZ-O 3.23Å; R251-T261 PolarHBondContact NE-O 2.94Å; R251-T261 PolarHBondContact NH2-O 3.05Å; R251-T261 WeakPolarHBondContact O-CB 3.46Å; F253-T261 CarbonylContact O-C 3.59Å; F253-T261 WeakPolarHBondContact O-CA 3.44Å; A254-T261 HydrophobicContact CB-CG2 4.2Å; G259-T261 PolarHBondContact O-N 3.02Å |
| 262 | F | 81.1 | Confident | 81.9 | Confident | 34 Ų | 34 | 67 Ų | 67 | 15% | 0.149 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 149 | -178.1 | -62.8 | -87.1 | 0 | 0 | 0 | 111.3 | R251 F253 C255 K260 H264 L268 H271 | R251-F262 CarbonylContact C-O 3.28Å; R251-F262 VanDerWaalsContact C-O 3.23Å; F253-F262 HydrophobicContact CB-CB 4.23Å; F253-F262 WeakPolarHBondContact CD2-O 3.33Å; F253-F262 PolarHBondContact N-O 2.78Å; F253-F262 WeakPolarHBondContact O-CD2 3.14Å; F253-F262 PolarHBondContact O-N 2.81Å; C255-F262 HydrophobicContact CB-CE2 4.29Å; K260-F262 HydrophobicContact CB-CE2 3.83Å; K260-F262 HydrophobicContact CB-CZ 4.03Å; K260-F262 WeakPolarHBondContact O-CD2 3.49Å; K260-F262 WeakPolarHBondContact O-CE2 3.39Å; F262-H264 VanDerWaalsContact C-N 3.32Å; F262-L268 HydrophobicContact CB-CB 4.22Å; F262-L268 HydrophobicContact CD2-CB 3.99Å; F262-L268 HydrophobicContact CD2-CD1 3.94Å; F262-L268 HydrophobicContact CE2-CD1 4.23Å; F262-L268 HydrophobicContact CG-CB 4.28Å; F262-H271 HydrophobicContact CE1-CB 3.95Å; F262-H271 HydrophobicContact CE2-CB 3.79Å; F262-H271 AromaticContact CE2-CD2 3.33Å; F262-H271 WeakPolarHBondContact CE2-CD2 3.29Å; F262-H271 AromaticContact CE2-CG 3.56Å; F262-H271 HydrophobicContact CZ-CB 3.46Å; F262-H271 VanDerWaalsContact CZ-CB 3.46Å; F262-H271 AromaticContact CZ-CD2 3.4Å; F262-H271 VanDerWaalsContact CZ-CD2 3.4Å; F262-H271 WeakPolarHBondContact CZ-CD2 3.13Å; F262-H271 AromaticContact CZ-CG 3.19Å; F262-H271 AromaticContact CZ-ND1 3.73Å |
| 263 | G | 77.7 | Confident | 82 | Confident | 8 Ų | 8 | 65.2 Ų | 65.2 | 8% | 0.082 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -76.1 | -19.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R245 | R245-G263 PolarHBondContact NE-O 3.13Å; R245-G263 PolarHBondContact NH2-O 3.05Å |
| 264 | H | 78.4 | Confident | 81.9 | Confident | 90 Ų | 90 | 65.8 Ų | 65.8 | 42% | 0.417 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -135.3 | 143.5 | -175.8 | -59.6 | -119.6 | 0 | 0 | 0 | 110.8 | R245 F262 V266 S267 L268 | R245-H264 VanDerWaalsContact CZ-CE1 3.49Å; R245-H264 PolarHBondContact NH1-CE1 2.83Å; R245-H264 PolarHBondContact NH1-ND1 2.95Å; R245-H264 PolarHBondContact NH1-NE2 3.15Å; R245-H264 VanDerWaalsContact NH1-NE2 3.17Å; F262-H264 VanDerWaalsContact C-N 3.32Å; H264-V266 PolarHBondContact O-N 2.83Å; H264-S267 WeakPolarHBondContact O-CB 3.43Å; H264-S267 PolarHBondContact O-N 2.5Å; H264-S267 VanDerWaalsContact O-N 3.11Å; H264-L268 PolarHBondContact O-N 3.22Å; H264-L268 VanDerWaalsContact O-N 3.16Å |
| 265 | A | 81.1 | Confident | 81.8 | Confident | 50 Ų | 50 | 67.5 Ų | 67.5 | 41% | 0.413 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -54.6 | -48.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F253 S267 L268 E269 | F253-A265 HydrophobicContact CD1-CB 3.9Å; F253-A265 HydrophobicContact CE1-CB 3.7Å; F253-A265 HydrophobicContact CG-CB 4.46Å; F253-A265 HydrophobicContact CZ-CB 4.1Å; A265-S267 PolarHBondContact O-N 2.7Å; A265-S267 VanDerWaalsContact O-N 3.17Å; A265-L268 CarbonylContact O-C 3.51Å; A265-L268 WeakPolarHBondContact O-CA 3.43Å; A265-L268 WeakPolarHBondContact O-CB 3.47Å; A265-L268 PolarHBondContact O-N 3.36Å; A265-E269 PolarHBondContact O-N 3.48Å |
| 266 | V | 82.9 | Confident | 81.2 | Confident | 100 Ų | 100 | 69.4 Ų | 69.4 | 61% | 0.606 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -57.9 | -32.3 | 177.9 | -175.5 | 0 | 0 | 0 | 0 | 112.6 | H264 Q270 | H264-V266 PolarHBondContact O-N 2.83Å; V266-Q270 VanDerWaalsContact O-CB 3.25Å; V266-Q270 WeakPolarHBondContact O-CB 3.44Å; V266-Q270 PolarHBondContact O-N 3.12Å |
| 267 | S | 83.7 | Confident | 80.3 | Confident | 48 Ų | 48 | 70.4 Ų | 70.4 | 34% | 0.336 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -74.3 | -34.9 | 175.2 | -58.1 | 0 | 0 | 0 | 0 | 112.5 | H264 A265 H271 | H264-S267 WeakPolarHBondContact O-CB 3.43Å; H264-S267 PolarHBondContact O-N 2.5Å; H264-S267 VanDerWaalsContact O-N 3.11Å; A265-S267 PolarHBondContact O-N 2.7Å; A265-S267 VanDerWaalsContact O-N 3.17Å; S267-H271 VanDerWaalsContact O-CB 3.24Å; S267-H271 WeakPolarHBondContact O-CB 3.41Å; S267-H271 PolarHBondContact O-N 3.45Å |
| 268 | L | 84.1 | Confident | 79.3 | Confident | 22 Ų | 22 | 72 Ų | 72 | 12% | 0.115 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.6 | -45.1 | 171.7 | 168.4 | 62.3 | 0 | 0 | 0 | 110.9 | F253 A254 C255 F262 H264 A265 H271 K272 | F253-L268 HydrophobicContact CB-CB 3.91Å; F253-L268 HydrophobicContact CB-CD2 3.82Å; F253-L268 HydrophobicContact CB-CG 4.48Å; A254-L268 WeakPolarHBondContact O-CD1 3.37Å; A254-L268 WeakPolarHBondContact O-CD2 3.36Å; C255-L268 HydrophobicContact CB-CD1 3.64Å; F262-L268 HydrophobicContact CB-CB 4.22Å; F262-L268 HydrophobicContact CD2-CB 3.99Å; F262-L268 HydrophobicContact CD2-CD1 3.94Å; F262-L268 HydrophobicContact CE2-CD1 4.23Å; F262-L268 HydrophobicContact CG-CB 4.28Å; H264-L268 PolarHBondContact O-N 3.22Å; H264-L268 VanDerWaalsContact O-N 3.16Å; A265-L268 CarbonylContact O-C 3.51Å; A265-L268 WeakPolarHBondContact O-CA 3.43Å; A265-L268 WeakPolarHBondContact O-CB 3.47Å; A265-L268 PolarHBondContact O-N 3.36Å; L268-H271 CarbonylContact O-C 3.38Å; L268-H271 WeakPolarHBondContact O-CA 3.38Å; L268-H271 WeakPolarHBondContact O-CB 3.38Å; L268-H271 PolarHBondContact O-N 2.68Å; L268-K272 HydrophobicContact CD1-CG 4.33Å; L268-K272 PolarHBondContact O-N 3.41Å |
| 269 | E | 82.5 | Confident | 78.4 | Confident | 137 Ų | 137 | 75.3 Ų | 75.3 | 64% | 0.64 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -59.9 | -50.3 | 177.5 | -174.6 | -177.3 | -171.2 | 0 | 0 | 111.4 | A265 H271 K272 A273 | A265-E269 PolarHBondContact O-N 3.48Å; E269-H271 PolarHBondContact O-N 3.25Å; E269-K272 WeakPolarHBondContact O-CB 3.45Å; E269-K272 PolarHBondContact O-N 2.86Å; E269-A273 PolarHBondContact O-N 3.38Å |
| 270 | Q | 81.1 | Confident | 78.1 | Confident | 95 Ų | 95 | 76.5 Ų | 76.5 | 44% | 0.444 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -58.3 | -29 | 171 | -179.9 | 167.6 | 118.3 | 0 | 0 | 112.6 | V266 R292 | V266-Q270 VanDerWaalsContact O-CB 3.25Å; V266-Q270 WeakPolarHBondContact O-CB 3.44Å; V266-Q270 PolarHBondContact O-N 3.12Å; Q270-R292 HydrophobicContact CG-CG 4.35Å |
| 271 | H | 83.3 | Confident | 78.1 | Confident | 21 Ų | 21 | 74 Ų | 74 | 10% | 0.097 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -78.6 | -31.3 | 174.2 | 179.5 | 62.6 | 0 | 0 | 0 | 113.4 | C255 C258 F262 S267 L268 E269 A273 V274 H275 | C255-H271 VanDerWaalsContact SG-CD2 3.57Å; C258-H271 PolarHBondContact SG-NE2 3.3Å; F262-H271 HydrophobicContact CE1-CB 3.95Å; F262-H271 HydrophobicContact CE2-CB 3.79Å; F262-H271 AromaticContact CE2-CD2 3.33Å; F262-H271 WeakPolarHBondContact CE2-CD2 3.29Å; F262-H271 AromaticContact CE2-CG 3.56Å; F262-H271 HydrophobicContact CZ-CB 3.46Å; F262-H271 VanDerWaalsContact CZ-CB 3.46Å; F262-H271 AromaticContact CZ-CD2 3.4Å; F262-H271 VanDerWaalsContact CZ-CD2 3.4Å; F262-H271 WeakPolarHBondContact CZ-CD2 3.13Å; F262-H271 AromaticContact CZ-CG 3.19Å; F262-H271 AromaticContact CZ-ND1 3.73Å; S267-H271 VanDerWaalsContact O-CB 3.24Å; S267-H271 WeakPolarHBondContact O-CB 3.41Å; S267-H271 PolarHBondContact O-N 3.45Å; L268-H271 CarbonylContact O-C 3.38Å; L268-H271 WeakPolarHBondContact O-CA 3.38Å; L268-H271 WeakPolarHBondContact O-CB 3.38Å; L268-H271 PolarHBondContact O-N 2.68Å; E269-H271 PolarHBondContact O-N 3.25Å; H271-A273 PolarHBondContact O-N 3.04Å; H271-V274 WeakPolarHBondContact O-CA 3.17Å; H271-V274 WeakPolarHBondContact O-CB 3.36Å; H271-V274 WeakPolarHBondContact O-CG2 3Å; H271-V274 PolarHBondContact O-N 3.17Å; H271-H275 AromaticContact CD2-NE2 3.48Å; H271-H275 PolarHBondContact CD2-NE2 3.36Å; H271-H275 AromaticContact CE1-NE2 3.56Å; H271-H275 AromaticContact NE2-NE2 2.7Å; H271-H275 PolarHBondContact NE2-NE2 3.01Å |
| 272 | K | 82.6 | Confident | 78.3 | Confident | 87 Ų | 87 | 74.2 Ų | 74.2 | 38% | 0.378 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.6 | -33.1 | 172.7 | -70.9 | -171.8 | 174.8 | -164.9 | 0 | 111 | D256 L268 E269 V274 H275 S276 | D256-K272 VanDerWaalsContact OD2-CE 3.24Å; D256-K272 WeakPolarHBondContact OD2-CE 3.42Å; D256-K272 IonicContact OD2-NZ 3.07Å; D256-K272 PolarHBondContact OD2-NZ 3.17Å; L268-K272 HydrophobicContact CD1-CG 4.33Å; L268-K272 PolarHBondContact O-N 3.41Å; E269-K272 WeakPolarHBondContact O-CB 3.45Å; E269-K272 PolarHBondContact O-N 2.86Å; K272-V274 PolarHBondContact O-N 2.99Å; K272-V274 VanDerWaalsContact O-N 3.11Å; K272-H275 PolarHBondContact O-N 2.99Å; K272-S276 PolarHBondContact O-N 2.95Å |
| 273 | A | 78.8 | Confident | 78.7 | Confident | 29 Ų | 29 | 72.6 Ų | 72.6 | 24% | 0.24 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.6 | -8.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | E269 H271 S276 K291 | E269-A273 PolarHBondContact O-N 3.38Å; H271-A273 PolarHBondContact O-N 3.04Å; A273-S276 VanDerWaalsContact O-O 3.06Å; A273-K291 VanDerWaalsContact O-CD 3.28Å; A273-K291 WeakPolarHBondContact O-CD 3.43Å; A273-K291 WeakPolarHBondContact O-CE 3.46Å; A273-K291 PolarHBondContact O-NZ 2.78Å |
| 274 | V | 79.3 | Confident | 79.1 | Confident | 83 Ų | 83 | 81 Ų | 81 | 50% | 0.503 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -73.9 | -40.5 | 167.8 | 179.8 | 0 | 0 | 0 | 0 | 110.6 | H271 K272 K291 | H271-V274 WeakPolarHBondContact O-CA 3.17Å; H271-V274 WeakPolarHBondContact O-CB 3.36Å; H271-V274 WeakPolarHBondContact O-CG2 3Å; H271-V274 PolarHBondContact O-N 3.17Å; K272-V274 PolarHBondContact O-N 2.99Å; K272-V274 VanDerWaalsContact O-N 3.11Å; V274-K291 PolarHBondContact O-NZ 3.01Å |
| 275 | H | 80.1 | Confident | 79.5 | Confident | 83 Ų | 83 | 82.3 Ų | 82.3 | 38% | 0.384 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -80.9 | -37.7 | -179.9 | -59.8 | -65.2 | 0 | 0 | 0 | 112.8 | C255 I257 C258 H271 K272 | C255-H275 PolarHBondContact SG-NE2 3.45Å; I257-H275 HydrophobicContact CD1-CB 3.65Å; I257-H275 HydrophobicContact CG2-CB 4.38Å; C258-H275 WeakPolarHBondContact CB-CE1 3.48Å; C258-H275 WeakPolarHBondContact CB-NE2 3.48Å; C258-H275 PolarHBondContact SG-CE1 2.8Å; C258-H275 PolarHBondContact SG-NE2 3.04Å; H271-H275 AromaticContact CD2-NE2 3.48Å; H271-H275 PolarHBondContact CD2-NE2 3.36Å; H271-H275 AromaticContact CE1-NE2 3.56Å; H271-H275 AromaticContact NE2-NE2 2.7Å; H271-H275 PolarHBondContact NE2-NE2 3.01Å; K272-H275 PolarHBondContact O-N 2.99Å |
| 276 | S | 72.4 | Confident | 79.9 | Confident | 41 Ų | 41 | 82.1 Ų | 82.1 | 29% | 0.287 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -64.9 | 138.9 | 164.8 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | K272 A273 E278 K291 | K272-S276 PolarHBondContact O-N 2.95Å; A273-S276 VanDerWaalsContact O-O 3.06Å; S276-E278 WeakPolarHBondContact OG-CB 3.32Å; S276-E278 WeakPolarHBondContact OG-CG 3.33Å; S276-E278 PolarHBondContact OG-N 3.13Å; S276-E278 VanDerWaalsContact OG-N 3.14Å; S276-E278 PolarHBondContact OG-OE2 3.35Å; S276-K291 PolarHBondContact O-NZ 2.82Å |
| 277 | Q | 64.9 | Low | 80 | Confident | 150 Ų | 150 | 80.2 Ų | 80.2 | 70% | 0.701 | 42% | 0.42 | S | S | * | . | trans | -78.2 | -8.4 | 170.8 | -169.7 | 67.5 | -54.7 | 0 | 0 | 111.7 | R279 | Q277-R279 PolarHBondContact O-N 3.49Š| ||
| 278 | E | 64.6 | Low | 80.1 | Confident | 145 Ų | 145 | 83.7 Ų | 83.7 | 68% | 0.678 | 43% | 0.429 | S | S | * | . | trans | -51.8 | 124.1 | 173.4 | -75.8 | 172.7 | 109.9 | 0 | 0 | 111.7 | S276 | S276-E278 WeakPolarHBondContact OG-CB 3.32Å; S276-E278 WeakPolarHBondContact OG-CG 3.33Å; S276-E278 PolarHBondContact OG-N 3.13Å; S276-E278 VanDerWaalsContact OG-N 3.14Å; S276-E278 PolarHBondContact OG-OE2 3.35Å | ||
| 279 | R | 64.7 | Low | 80.1 | Confident | 112 Ų | 112 | 84.7 Ų | 84.7 | 42% | 0.423 | 44% | 0.438 | S | S | . | . | trans | -123.2 | 99.7 | 167.4 | -73.8 | 168.6 | 150.7 | 86.1 | -6.7 | 105.3 | Q277 F281 S289 F290 K291 | Q277-R279 PolarHBondContact O-N 3.49Å; R279-F281 VanDerWaalsContact C-N 3.34Å; R279-S289 VanDerWaalsContact CB-CB 3.41Å; R279-S289 VanDerWaalsContact CD-O 3.23Å; R279-S289 WeakPolarHBondContact CD-O 3.47Å; R279-S289 PolarHBondContact NE-O 2.83Å; R279-F290 CarbonylContact C-O 3.52Å; R279-F290 WeakPolarHBondContact CA-O 3.39Å; R279-K291 HydrophobicContact CG-CG 3.85Å | ||
| 280 | S | 74.6 | Confident | 80.2 | Confident | 84 Ų | 84 | 80.3 Ų | 80.3 | 59% | 0.587 | 42% | 0.417 | S | S | * | . | trans | -84.8 | -5.5 | -171.9 | 44 | 0 | 0 | 0 | 0 | 114.3 | F290 | S280-F290 PolarHBondContact N-O 3.2Š| ||
| 281 | F | 81.1 | Confident | 80.3 | Confident | 73 Ų | 73 | 78.5 Ų | 78.5 | 32% | 0.32 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 90.9 | -173.8 | -60 | -74.9 | 0 | 0 | 0 | 111.3 | R279 F290 S293 L296 | R279-F281 VanDerWaalsContact C-N 3.34Å; F281-F290 HydrophobicContact CB-CB 4.28Å; F281-F290 PolarHBondContact N-O 3.07Å; F281-F290 PolarHBondContact O-N 2.99Å; F281-S293 VanDerWaalsContact CD2-N 3.26Å; F281-L296 HydrophobicContact CB-CB 4.07Å; F281-L296 HydrophobicContact CB-CD2 3.87Å |
| 282 | D | 85.2 | Confident | 80.3 | Confident | 66 Ų | 66 | 82.2 Ų | 82.2 | 35% | 0.353 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 134.4 | -179.1 | -53.9 | -56.6 | 0 | 0 | 0 | 113.5 | K284 S289 | D282-K284 PolarHBondContact O-N 3.44Å; D282-S289 WeakPolarHBondContact OD1-CB 3.45Å; D282-S289 PolarHBondContact OD1-OG 2.8Å |
| 283 | C | 88.9 | Confident | 80.4 | Confident | 1 Ų | 1 | 81 Ų | 81 | 1% | 0.007 | 42% | 0.423 | C | S | . | . | trans | -75.3 | 113.9 | 163.3 | -177.1 | 0 | 0 | 0 | 0 | 110.2 | I285 G287 K288 F290 L296 H303 | C283-I285 PolarHBondContact O-N 2.99Å; C283-G287 VanDerWaalsContact O-CA 3.29Å; C283-G287 WeakPolarHBondContact O-CA 3.36Å; C283-G287 PolarHBondContact O-N 3.42Å; C283-K288 WeakPolarHBondContact CB-O 3.49Å; C283-K288 PolarHBondContact N-O 3.1Å; C283-F290 HydrophobicContact CB-CE2 4.37Å; C283-L296 HydrophobicContact CB-CD1 3.78Å; C283-H303 VanDerWaalsContact SG-CD2 3.59Å | ||
| 284 | K | 86.4 | Confident | 80.8 | Confident | 184 Ų | 184 | 82.9 Ų | 82.9 | 80% | 0.8 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -13.9 | 177.7 | -57.2 | -56.2 | -177.3 | -173 | 0 | 114.4 | D282 | D282-K284 PolarHBondContact O-N 3.44Š|
| 285 | I | 88 | Confident | 81.2 | Confident | 117 Ų | 117 | 80.7 Ų | 80.7 | 60% | 0.6 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -36.8 | -177.3 | -55.2 | 172.7 | 0 | 0 | 0 | 112 | C283 H303 | C283-I285 PolarHBondContact O-N 2.99Å; I285-H303 HydrophobicContact CD1-CB 3.56Å; I285-H303 HydrophobicContact CG2-CB 4.44Å; I285-H303 WeakPolarHBondContact CG2-ND1 3.5Å |
| 286 | C | 89.1 | Confident | 81.5 | Confident | 46 Ų | 46 | 77.8 Ų | 77.8 | 31% | 0.311 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.4 | 10.3 | -178.8 | 70.3 | 0 | 0 | 0 | 0 | 115.3 | K288 H299 H303 | C286-K288 PolarHBondContact O-N 3.26Å; C286-K288 VanDerWaalsContact O-N 3.09Å; C286-K288 VanDerWaalsContact SG-CD 3.56Å; C286-K288 VanDerWaalsContact SG-CG 3.57Å; C286-H299 PolarHBondContact SG-NE2 2.86Å; C286-H303 PolarHBondContact SG-NE2 3.12Å |
| 287 | G | 84.1 | Confident | 82.3 | Confident | 60 Ų | 60 | 78.8 Ų | 78.8 | 62% | 0.619 | 42% | 0.416 | S | S | * | . | trans | 67.2 | 6.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | C283 S289 | C283-G287 VanDerWaalsContact O-CA 3.29Å; C283-G287 WeakPolarHBondContact O-CA 3.36Å; C283-G287 PolarHBondContact O-N 3.42Å; G287-S289 PolarHBondContact O-N 2.66Å | ||
| 288 | K | 85.9 | Confident | 83.4 | Confident | 122 Ų | 122 | 74.2 Ų | 74.2 | 53% | 0.53 | 40% | 0.398 | S | S | . | . | trans | -77.9 | 124.6 | -178 | -69.6 | 176.5 | -169.3 | 166.2 | 0 | 111.2 | C283 C286 F290 | C283-K288 WeakPolarHBondContact CB-O 3.49Å; C283-K288 PolarHBondContact N-O 3.1Å; C286-K288 PolarHBondContact O-N 3.26Å; C286-K288 VanDerWaalsContact O-N 3.09Å; C286-K288 VanDerWaalsContact SG-CD 3.56Å; C286-K288 VanDerWaalsContact SG-CG 3.57Å; K288-F290 HydrophobicContact CB-CE2 3.79Å; K288-F290 HydrophobicContact CB-CZ 4.13Å; K288-F290 VanDerWaalsContact O-CD2 3.3Å; K288-F290 WeakPolarHBondContact O-CD2 3.24Å; K288-F290 WeakPolarHBondContact O-CE2 3.33Å | ||
| 289 | S | 85.3 | Confident | 84.5 | Confident | 43 Ų | 43 | 68.1 Ų | 68.1 | 30% | 0.301 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 136.3 | -179.8 | -42.2 | 0 | 0 | 0 | 0 | 112.5 | R279 D282 G287 | R279-S289 VanDerWaalsContact CB-CB 3.41Å; R279-S289 VanDerWaalsContact CD-O 3.23Å; R279-S289 WeakPolarHBondContact CD-O 3.47Å; R279-S289 PolarHBondContact NE-O 2.83Å; D282-S289 WeakPolarHBondContact OD1-CB 3.45Å; D282-S289 PolarHBondContact OD1-OG 2.8Å; G287-S289 PolarHBondContact O-N 2.66Å |
| 290 | F | 84.6 | Confident | 85.7 | Confident | 44 Ų | 44 | 66.1 Ų | 66.1 | 19% | 0.193 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 150.8 | -175.9 | -64.8 | -93.4 | 0 | 0 | 0 | 112 | R279 S280 F281 C283 K288 R292 L296 H299 | R279-F290 CarbonylContact C-O 3.52Å; R279-F290 WeakPolarHBondContact CA-O 3.39Å; S280-F290 PolarHBondContact N-O 3.2Å; F281-F290 HydrophobicContact CB-CB 4.28Å; F281-F290 PolarHBondContact N-O 3.07Å; F281-F290 PolarHBondContact O-N 2.99Å; C283-F290 HydrophobicContact CB-CE2 4.37Å; K288-F290 HydrophobicContact CB-CE2 3.79Å; K288-F290 HydrophobicContact CB-CZ 4.13Å; K288-F290 VanDerWaalsContact O-CD2 3.3Å; K288-F290 WeakPolarHBondContact O-CD2 3.24Å; K288-F290 WeakPolarHBondContact O-CE2 3.33Å; F290-R292 VanDerWaalsContact C-N 3.33Å; F290-L296 HydrophobicContact CB-CB 4.29Å; F290-L296 HydrophobicContact CD2-CB 4.14Å; F290-L296 HydrophobicContact CD2-CD1 3.86Å; F290-L296 HydrophobicContact CE2-CD1 4.11Å; F290-L296 HydrophobicContact CG-CB 4.31Å; F290-H299 HydrophobicContact CE1-CB 3.94Å; F290-H299 HydrophobicContact CE2-CB 4.09Å; F290-H299 AromaticContact CE2-CD2 3.15Å; F290-H299 WeakPolarHBondContact CE2-CD2 3.36Å; F290-H299 AromaticContact CE2-CG 3.68Å; F290-H299 AromaticContact CE2-NE2 3.81Å; F290-H299 HydrophobicContact CZ-CB 3.58Å; F290-H299 AromaticContact CZ-CD2 3.22Å; F290-H299 WeakPolarHBondContact CZ-CD2 3.18Å; F290-H299 AromaticContact CZ-CG 3.24Å; F290-H299 AromaticContact CZ-ND1 3.88Å; F290-H299 AromaticContact CZ-NE2 3.82Å |
| 291 | K | 83 | Confident | 86.4 | Confident | 57 Ų | 57 | 64 Ų | 64 | 25% | 0.248 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -81.3 | -7.8 | 177.9 | -65.6 | -176.1 | 174.2 | -120.3 | 0 | 113.6 | A273 V274 S276 R279 | A273-K291 VanDerWaalsContact O-CD 3.28Å; A273-K291 WeakPolarHBondContact O-CD 3.43Å; A273-K291 WeakPolarHBondContact O-CE 3.46Å; A273-K291 PolarHBondContact O-NZ 2.78Å; V274-K291 PolarHBondContact O-NZ 3.01Å; S276-K291 PolarHBondContact O-NZ 2.82Å; R279-K291 HydrophobicContact CG-CG 3.85Å |
| 292 | R | 82.9 | Confident | 86.6 | Confident | 99 Ų | 99 | 65.5 Ų | 65.5 | 37% | 0.374 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -147.2 | 140 | -179.7 | -50.7 | -174.2 | -62 | 173.7 | 3.1 | 111.6 | Q270 F290 S294 T295 L296 | Q270-R292 HydrophobicContact CG-CG 4.35Å; F290-R292 VanDerWaalsContact C-N 3.33Å; R292-S294 PolarHBondContact O-N 2.97Å; R292-T295 HydrophobicContact CB-CG2 4.47Å; R292-T295 PolarHBondContact O-N 2.67Å; R292-T295 VanDerWaalsContact O-N 3.12Å; R292-T295 PolarHBondContact O-OG1 2.9Å; R292-L296 PolarHBondContact O-N 3.31Å; R292-L296 VanDerWaalsContact O-N 3.16Å |
| 293 | S | 85.3 | Confident | 86.7 | Confident | 62 Ų | 62 | 65.9 Ų | 65.9 | 43% | 0.434 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -53.6 | -49.4 | 173.7 | 179.2 | 0 | 0 | 0 | 0 | 112 | F281 T295 L296 S297 | F281-S293 VanDerWaalsContact CD2-N 3.26Å; S293-T295 PolarHBondContact O-N 3.19Å; S293-T295 VanDerWaalsContact O-N 3.14Å; S293-L296 CarbonylContact O-C 3.41Å; S293-L296 WeakPolarHBondContact O-CA 3.5Å; S293-L296 WeakPolarHBondContact O-CB 3.33Å; S293-L296 PolarHBondContact O-N 2.88Å; S293-S297 PolarHBondContact O-N 3.11Å; S293-S297 PolarHBondContact O-OG 3.31Å |
| 294 | S | 86.1 | Confident | 86.4 | Confident | 69 Ų | 69 | 67.7 Ų | 67.7 | 48% | 0.483 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.9 | -33.2 | 179 | 57 | 0 | 0 | 0 | 0 | 114 | R292 T298 | R292-S294 PolarHBondContact O-N 2.97Å; S294-T298 WeakPolarHBondContact O-CG2 3.32Å; S294-T298 PolarHBondContact O-N 2.77Å; S294-T298 VanDerWaalsContact O-N 3.07Å; S294-T298 PolarHBondContact O-OG1 3.25Å |
| 295 | T | 87.1 | Confident | 86 | Confident | 36 Ų | 36 | 66.4 Ų | 66.4 | 22% | 0.221 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -73.1 | -35.5 | 174.1 | 47.7 | 0 | 0 | 0 | 0 | 112.6 | R292 S293 T298 H299 | R292-T295 HydrophobicContact CB-CG2 4.47Å; R292-T295 PolarHBondContact O-N 2.67Å; R292-T295 VanDerWaalsContact O-N 3.12Å; R292-T295 PolarHBondContact O-OG1 2.9Å; S293-T295 PolarHBondContact O-N 3.19Å; S293-T295 VanDerWaalsContact O-N 3.14Å; T295-T298 WeakPolarHBondContact CA-OG1 3.39Å; T295-T298 PolarHBondContact O-OG1 3.23Å; T295-H299 WeakPolarHBondContact O-CB 3.4Å; T295-H299 PolarHBondContact O-N 3.48Å |
| 296 | L | 88.3 | Confident | 85.8 | Confident | 22 Ų | 22 | 64.5 Ų | 64.5 | 12% | 0.115 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.1 | -47.1 | 169.9 | 173.7 | 61.8 | 0 | 0 | 0 | 110.3 | F281 C283 F290 R292 S293 T298 H299 L300 | F281-L296 HydrophobicContact CB-CB 4.07Å; F281-L296 HydrophobicContact CB-CD2 3.87Å; C283-L296 HydrophobicContact CB-CD1 3.78Å; F290-L296 HydrophobicContact CB-CB 4.29Å; F290-L296 HydrophobicContact CD2-CB 4.14Å; F290-L296 HydrophobicContact CD2-CD1 3.86Å; F290-L296 HydrophobicContact CE2-CD1 4.11Å; F290-L296 HydrophobicContact CG-CB 4.31Å; R292-L296 PolarHBondContact O-N 3.31Å; R292-L296 VanDerWaalsContact O-N 3.16Å; S293-L296 CarbonylContact O-C 3.41Å; S293-L296 WeakPolarHBondContact O-CA 3.5Å; S293-L296 WeakPolarHBondContact O-CB 3.33Å; S293-L296 PolarHBondContact O-N 2.88Å; L296-T298 PolarHBondContact O-N 2.85Å; L296-H299 CarbonylContact O-C 3.6Å; L296-H299 WeakPolarHBondContact O-CA 3.24Å; L296-H299 WeakPolarHBondContact O-CB 3.5Å; L296-H299 PolarHBondContact O-N 3.34Å; L296-L300 HydrophobicContact CD1-CD1 4.43Å; L296-L300 HydrophobicContact CD1-CD2 4.21Å; L296-L300 HydrophobicContact CD1-CG 4.04Å; L296-L300 HydrophobicContact CG-CD1 4.23Å; L296-L300 HydrophobicContact CG-CG 4.29Å; L296-L300 WeakPolarHBondContact O-CG 3.4Å; L296-L300 PolarHBondContact O-N 3.27Å |
| 297 | S | 87.6 | Confident | 85.7 | Confident | 63 Ų | 63 | 68 Ų | 68 | 44% | 0.441 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -55.7 | -47.2 | 177.1 | -48.5 | 0 | 0 | 0 | 0 | 112 | S293 H299 L300 L301 | S293-S297 PolarHBondContact O-N 3.11Å; S293-S297 PolarHBondContact O-OG 3.31Å; S297-H299 PolarHBondContact O-N 2.94Å; S297-L300 PolarHBondContact O-N 3.03Å; S297-L301 PolarHBondContact O-N 3.36Å |
| 298 | T | 88.1 | Confident | 86 | Confident | 53 Ų | 53 | 68 Ų | 68 | 33% | 0.325 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.5 | -22.5 | 175.4 | 55.8 | 0 | 0 | 0 | 0 | 114 | S294 T295 L296 | S294-T298 WeakPolarHBondContact O-CG2 3.32Å; S294-T298 PolarHBondContact O-N 2.77Å; S294-T298 VanDerWaalsContact O-N 3.07Å; S294-T298 PolarHBondContact O-OG1 3.25Å; T295-T298 WeakPolarHBondContact CA-OG1 3.39Å; T295-T298 PolarHBondContact O-OG1 3.23Å; L296-T298 PolarHBondContact O-N 2.85Å |
| 299 | H | 89 | Confident | 86.4 | Confident | 18 Ų | 18 | 65.3 Ų | 65.3 | 8% | 0.083 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -82.1 | -35.7 | 175.5 | 166.9 | 57.3 | 0 | 0 | 0 | 112.1 | C286 F290 T295 L296 S297 L301 I302 H303 | C286-H299 PolarHBondContact SG-NE2 2.86Å; F290-H299 HydrophobicContact CE1-CB 3.94Å; F290-H299 HydrophobicContact CE2-CB 4.09Å; F290-H299 AromaticContact CE2-CD2 3.15Å; F290-H299 WeakPolarHBondContact CE2-CD2 3.36Å; F290-H299 AromaticContact CE2-CG 3.68Å; F290-H299 AromaticContact CE2-NE2 3.81Å; F290-H299 HydrophobicContact CZ-CB 3.58Å; F290-H299 AromaticContact CZ-CD2 3.22Å; F290-H299 WeakPolarHBondContact CZ-CD2 3.18Å; F290-H299 AromaticContact CZ-CG 3.24Å; F290-H299 AromaticContact CZ-ND1 3.88Å; F290-H299 AromaticContact CZ-NE2 3.82Å; T295-H299 WeakPolarHBondContact O-CB 3.4Å; T295-H299 PolarHBondContact O-N 3.48Å; L296-H299 CarbonylContact O-C 3.6Å; L296-H299 WeakPolarHBondContact O-CA 3.24Å; L296-H299 WeakPolarHBondContact O-CB 3.5Å; L296-H299 PolarHBondContact O-N 3.34Å; S297-H299 PolarHBondContact O-N 2.94Å; H299-L301 PolarHBondContact O-N 2.83Å; H299-I302 VanDerWaalsContact O-CB 3.25Å; H299-I302 WeakPolarHBondContact O-CB 3.47Å; H299-I302 WeakPolarHBondContact O-CG1 3.41Å; H299-I302 PolarHBondContact O-N 3.49Å; H299-H303 AromaticContact CE1-CD2 3.91Å; H299-H303 AromaticContact CE1-NE2 3.5Å; H299-H303 PolarHBondContact CE1-NE2 2.68Å; H299-H303 AromaticContact NE2-CD2 3.81Å; H299-H303 AromaticContact NE2-NE2 3.45Å; H299-H303 PolarHBondContact NE2-NE2 3.34Å |
| 300 | L | 88.8 | Confident | 86.7 | Confident | 70 Ų | 70 | 66 Ų | 66 | 37% | 0.366 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.7 | -28.2 | 173.6 | -68.5 | 173.9 | 0 | 0 | 0 | 111.7 | L296 S297 I302 H303 S304 | L296-L300 HydrophobicContact CD1-CD1 4.43Å; L296-L300 HydrophobicContact CD1-CD2 4.21Å; L296-L300 HydrophobicContact CD1-CG 4.04Å; L296-L300 HydrophobicContact CG-CD1 4.23Å; L296-L300 HydrophobicContact CG-CG 4.29Å; L296-L300 WeakPolarHBondContact O-CG 3.4Å; L296-L300 PolarHBondContact O-N 3.27Å; S297-L300 PolarHBondContact O-N 3.03Å; L300-I302 PolarHBondContact O-N 3.49Å; L300-I302 VanDerWaalsContact O-N 3.11Å; L300-H303 PolarHBondContact O-N 2.95Å; L300-S304 PolarHBondContact O-N 2.95Å; L300-S304 VanDerWaalsContact O-N 3.11Å |
| 301 | L | 88.9 | Confident | 87.2 | Confident | 40 Ų | 40 | 64 Ų | 64 | 21% | 0.209 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -56 | -24.5 | 169.9 | -61.9 | 177.6 | 0 | 0 | 0 | 113.5 | S297 H299 S304 T306 P308 H319 | S297-L301 PolarHBondContact O-N 3.36Å; H299-L301 PolarHBondContact O-N 2.83Å; L301-S304 WeakPolarHBondContact CA-OG 3.34Å; L301-S304 PolarHBondContact O-OG 2.79Å; L301-T306 WeakPolarHBondContact CD2-OG1 3.17Å; L301-P308 HydrophobicContact CD1-CG 4.29Å; L301-H319 HydrophobicContact CB-CB 4.11Å; L301-H319 WeakPolarHBondContact CD1-O 3.15Å; L301-H319 PolarHBondContact O-CE1 3.2Å; L301-H319 PolarHBondContact O-ND1 2.99Å |
| 302 | I | 87.1 | Confident | 87.6 | Confident | 104 Ų | 104 | 70 Ų | 70 | 53% | 0.533 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -77.6 | -27 | 176.7 | -54.4 | 177.6 | 0 | 0 | 0 | 111.4 | H299 L300 | H299-I302 VanDerWaalsContact O-CB 3.25Å; H299-I302 WeakPolarHBondContact O-CB 3.47Å; H299-I302 WeakPolarHBondContact O-CG1 3.41Å; H299-I302 PolarHBondContact O-N 3.49Å; L300-I302 PolarHBondContact O-N 3.49Å; L300-I302 VanDerWaalsContact O-N 3.11Å |
| 303 | H | 86.2 | Confident | 88 | Confident | 74 Ų | 74 | 71.8 Ų | 71.8 | 34% | 0.343 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -86.7 | -18.2 | 176.5 | -71.3 | -64.4 | 0 | 0 | 0 | 113.1 | C283 I285 C286 H299 L300 | C283-H303 VanDerWaalsContact SG-CD2 3.59Å; I285-H303 HydrophobicContact CD1-CB 3.56Å; I285-H303 HydrophobicContact CG2-CB 4.44Å; I285-H303 WeakPolarHBondContact CG2-ND1 3.5Å; C286-H303 PolarHBondContact SG-NE2 3.12Å; H299-H303 AromaticContact CE1-CD2 3.91Å; H299-H303 AromaticContact CE1-NE2 3.5Å; H299-H303 PolarHBondContact CE1-NE2 2.68Å; H299-H303 AromaticContact NE2-CD2 3.81Å; H299-H303 AromaticContact NE2-NE2 3.45Å; H299-H303 PolarHBondContact NE2-NE2 3.34Å; L300-H303 PolarHBondContact O-N 2.95Å |
| 304 | S | 82.1 | Confident | 88.4 | Confident | 38 Ų | 38 | 71.3 Ų | 71.3 | 27% | 0.266 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -91.7 | 154.4 | 165.6 | 73.2 | 0 | 0 | 0 | 0 | 110.6 | L300 L301 T306 | L300-S304 PolarHBondContact O-N 2.95Å; L300-S304 VanDerWaalsContact O-N 3.11Å; L301-S304 WeakPolarHBondContact CA-OG 3.34Å; L301-S304 PolarHBondContact O-OG 2.79Å; S304-T306 PolarHBondContact O-N 3.2Å; S304-T306 VanDerWaalsContact O-N 3.12Å; S304-T306 WeakPolarHBondContact OG-CB 3.36Å; S304-T306 PolarHBondContact OG-N 3.36Å; S304-T306 PolarHBondContact OG-OG1 3.35Å |
| 305 | D | 78.6 | Confident | 88.5 | Confident | 158 Ų | 158 | 70.3 Ų | 70.3 | 85% | 0.845 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -73.2 | 3.6 | 165.9 | -66.1 | -57.8 | 0 | 0 | 0 | 113.3 | R307 | D305-R307 PolarHBondContact O-N 3.29Š|
| 306 | T | 83.3 | Confident | 88.8 | Confident | 77 Ų | 77 | 74.3 Ų | 74.3 | 47% | 0.472 | 39% | 0.392 | S | S | . | . | trans | -72.5 | 116.1 | 179.7 | 76.9 | 0 | 0 | 0 | 0 | 111.9 | L301 S304 H319 | L301-T306 WeakPolarHBondContact CD2-OG1 3.17Å; S304-T306 PolarHBondContact O-N 3.2Å; S304-T306 VanDerWaalsContact O-N 3.12Å; S304-T306 WeakPolarHBondContact OG-CB 3.36Å; S304-T306 PolarHBondContact OG-N 3.36Å; S304-T306 PolarHBondContact OG-OG1 3.35Å; T306-H319 PolarHBondContact O-ND1 3.04Å | ||
| 307 | R | 88.4 | Confident | 89 | Confident | 120 Ų | 120 | 79.3 Ų | 79.3 | 45% | 0.453 | 41% | 0.41 | S | S | . | . | trans | -121.4 | 84.9 | 174.9 | -69.9 | 165.5 | 177.4 | -117.6 | 3.1 | 108.1 | D305 Y309 R317 F318 H319 | D305-R307 PolarHBondContact O-N 3.29Å; R307-Y309 PolarHBondContact O-N 3.13Å; R307-R317 HydrophobicContact CB-CB 3.44Å; R307-R317 VanDerWaalsContact CB-CB 3.44Å; R307-R317 WeakPolarHBondContact CD-O 3.48Å; R307-R317 HydrophobicContact CG-CB 4.4Å; R307-R317 PolarHBondContact NH1-O 2.89Å; R307-R317 PolarHBondContact O-NE 3.14Å; R307-R317 PolarHBondContact O-NH2 2.95Å; R307-F318 CarbonylContact C-O 3.23Å; R307-H319 WeakPolarHBondContact CG-CE1 3.36Å; R307-H319 PolarHBondContact NE-NE2 3.17Å | ||
| 308 | P | 89.3 | Confident | 89.1 | Confident | 59 Ų | 59 | 78.5 Ų | 78.5 | 38% | 0.383 | 40% | 0.398 | S | S | . | . | trans | -67.8 | -16.8 | -168.6 | 21.8 | -31.3 | 0 | 0 | 0 | 114.5 | L301 P310 | L301-P308 HydrophobicContact CD1-CG 4.29Å; P308-P310 WeakPolarHBondContact O-CD 3.49Å | ||
| 309 | Y | 93.5 | Very high | 89.2 | Confident | 66 Ų | 66 | 77.5 Ų | 77.5 | 26% | 0.259 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 93.9 | -174.4 | -52.9 | -70.2 | 0 | 0 | 0 | 112.3 | R307 R317 F318 H319 K321 | R307-Y309 PolarHBondContact O-N 3.13Å; Y309-R317 WeakPolarHBondContact O-CA 3.48Å; Y309-F318 PolarHBondContact N-O 3.16Å; Y309-F318 VanDerWaalsContact N-O 3.15Å; Y309-F318 PolarHBondContact O-N 3.14Å; Y309-H319 WeakPolarHBondContact CE2-O 3.21Å; Y309-K321 HydrophobicContact CD1-CB 3.82Å; Y309-K321 HydrophobicContact CD1-CG 4.3Å; Y309-K321 HydrophobicContact CD2-CB 4.36Å; Y309-K321 HydrophobicContact CE1-CB 3.78Å; Y309-K321 HydrophobicContact CE1-CD 4.4Å; Y309-K321 HydrophobicContact CE1-CG 4.41Å; Y309-K321 HydrophobicContact CE2-CB 4.3Å; Y309-K321 HydrophobicContact CG-CB 4.11Å |
| 310 | P | 93 | Very high | 89.3 | Confident | 56 Ų | 56 | 80.3 Ų | 80.3 | 36% | 0.364 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 147.7 | 171.5 | 31.9 | -35.1 | 0 | 0 | 0 | 111.9 | P308 R317 | P308-P310 WeakPolarHBondContact O-CD 3.49Å; P310-R317 HydrophobicContact CB-CG 4.26Å |
| 311 | C | 94.3 | Very high | 89.4 | Confident | 2 Ų | 2 | 83.7 Ų | 83.7 | 1% | 0.014 | 42% | 0.415 | C | S | . | . | trans | -79.7 | 127.8 | 164.3 | -178.5 | 0 | 0 | 0 | 0 | 109.8 | Y313 C314 G315 K316 F318 H327 | C311-Y313 VanDerWaalsContact C-N 3.3Å; C311-Y313 PolarHBondContact O-N 3.15Å; C311-C314 VanDerWaalsContact SG-SG 3.68Å; C311-G315 WeakPolarHBondContact O-CA 3.27Å; C311-G315 PolarHBondContact O-N 2.99Å; C311-K316 WeakPolarHBondContact CB-O 3.18Å; C311-K316 PolarHBondContact N-O 3.15Å; C311-F318 HydrophobicContact CB-CE2 4.25Å; C311-H327 VanDerWaalsContact SG-CD2 3.53Å | ||
| 312 | Q | 92.6 | Very high | 89.5 | Confident | 184 Ų | 184 | 84.3 Ų | 84.3 | 86% | 0.86 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -28.2 | -179.6 | -70.4 | 177 | -33.7 | 0 | 0 | 113.4 | ||
| 313 | Y | 91.3 | Very high | 89.8 | Confident | 137 Ų | 137 | 82.1 Ų | 82.1 | 54% | 0.537 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -24.9 | -176.6 | -58.9 | -78.2 | 0 | 0 | 0 | 114.6 | C311 T328 H331 T332 | C311-Y313 VanDerWaalsContact C-N 3.3Å; C311-Y313 PolarHBondContact O-N 3.15Å; Y313-T328 HydrophobicContact CD2-CG2 4.2Å; Y313-T328 HydrophobicContact CE2-CG2 4.09Å; Y313-H331 VanDerWaalsContact CB-CG 3.45Å; Y313-H331 HydrophobicContact CD1-CB 4.13Å; Y313-H331 HydrophobicContact CD2-CB 3.69Å; Y313-H331 AromaticContact CD2-CD2 3.88Å; Y313-H331 AromaticContact CD2-CG 3.86Å; Y313-H331 HydrophobicContact CE2-CB 4.23Å; Y313-H331 HydrophobicContact CG-CB 3.64Å; Y313-H331 AromaticContact CG-CG 3.73Å; Y313-T332 HydrophobicContact CE2-CG2 4.34Å |
| 314 | C | 92.8 | Very high | 90.2 | Very high | 51 Ų | 51 | 80.3 Ų | 80.3 | 35% | 0.345 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -147.6 | 11.3 | -170.9 | 69.4 | 0 | 0 | 0 | 0 | 115.3 | C311 K316 H327 H331 | C311-C314 VanDerWaalsContact SG-SG 3.68Å; C314-K316 PolarHBondContact O-N 2.97Å; C314-H327 PolarHBondContact SG-NE2 3.22Å; C314-H331 PolarHBondContact SG-NE2 2.95Å; C314-H331 VanDerWaalsContact SG-NE2 3.35Å |
| 315 | G | 88.6 | Confident | 90.7 | Very high | 49 Ų | 49 | 85.1 Ų | 85.1 | 51% | 0.505 | 42% | 0.42 | S | S | . | . | trans | 68.2 | -15.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | C311 R317 | C311-G315 WeakPolarHBondContact O-CA 3.27Å; C311-G315 PolarHBondContact O-N 2.99Å; G315-R317 WeakPolarHBondContact O-CG 3.44Å; G315-R317 PolarHBondContact O-N 3.29Å | ||
| 316 | K | 92.6 | Very high | 91.3 | Very high | 120 Ų | 120 | 81.7 Ų | 81.7 | 52% | 0.522 | 40% | 0.398 | S | S | . | . | trans | -53.5 | 127.8 | -177.9 | -70.3 | -176 | -179.9 | -177.2 | 0 | 111.1 | C311 C314 F318 | C311-K316 WeakPolarHBondContact CB-O 3.18Å; C311-K316 PolarHBondContact N-O 3.15Å; C314-K316 PolarHBondContact O-N 2.97Å; K316-F318 HydrophobicContact CB-CE2 4.13Å; K316-F318 HydrophobicContact CB-CZ 4.4Å; K316-F318 WeakPolarHBondContact O-CD2 3.42Å; K316-F318 VanDerWaalsContact O-CE2 3.27Å; K316-F318 WeakPolarHBondContact O-CE2 3.31Å | ||
| 317 | R | 92.1 | Very high | 91.8 | Very high | 126 Ų | 126 | 79.3 Ų | 79.3 | 48% | 0.475 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 139.5 | -171.9 | -50.3 | -171.9 | 65.2 | 113.3 | 2.6 | 112.8 | R307 Y309 P310 G315 | R307-R317 HydrophobicContact CB-CB 3.44Å; R307-R317 VanDerWaalsContact CB-CB 3.44Å; R307-R317 WeakPolarHBondContact CD-O 3.48Å; R307-R317 HydrophobicContact CG-CB 4.4Å; R307-R317 PolarHBondContact NH1-O 2.89Å; R307-R317 PolarHBondContact O-NE 3.14Å; R307-R317 PolarHBondContact O-NH2 2.95Å; Y309-R317 WeakPolarHBondContact O-CA 3.48Å; P310-R317 HydrophobicContact CB-CG 4.26Å; G315-R317 WeakPolarHBondContact O-CG 3.44Å; G315-R317 PolarHBondContact O-N 3.29Å |
| 318 | F | 91.6 | Very high | 92 | Very high | 46 Ų | 46 | 74.9 Ų | 74.9 | 20% | 0.202 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 152.9 | -175.6 | -60.1 | -93.4 | 0 | 0 | 0 | 111.8 | R307 Y309 C311 K316 D323 M324 H327 | R307-F318 CarbonylContact C-O 3.23Å; Y309-F318 PolarHBondContact N-O 3.16Å; Y309-F318 VanDerWaalsContact N-O 3.15Å; Y309-F318 PolarHBondContact O-N 3.14Å; C311-F318 HydrophobicContact CB-CE2 4.25Å; K316-F318 HydrophobicContact CB-CE2 4.13Å; K316-F318 HydrophobicContact CB-CZ 4.4Å; K316-F318 WeakPolarHBondContact O-CD2 3.42Å; K316-F318 VanDerWaalsContact O-CE2 3.27Å; K316-F318 WeakPolarHBondContact O-CE2 3.31Å; F318-D323 HydrophobicContact CD1-CB 4.29Å; F318-M324 HydrophobicContact CB-CB 4.07Å; F318-M324 HydrophobicContact CD2-CB 3.68Å; F318-M324 HydrophobicContact CD2-CG 3.88Å; F318-M324 HydrophobicContact CE2-CB 4.44Å; F318-M324 HydrophobicContact CE2-CG 4.41Å; F318-M324 HydrophobicContact CG-CB 3.97Å; F318-H327 HydrophobicContact CE1-CB 4.01Å; F318-H327 HydrophobicContact CE2-CB 4.05Å; F318-H327 AromaticContact CE2-CD2 3.59Å; F318-H327 AromaticContact CE2-CG 3.86Å; F318-H327 HydrophobicContact CZ-CB 3.5Å; F318-H327 AromaticContact CZ-CD2 3.51Å; F318-H327 AromaticContact CZ-CG 3.33Å; F318-H327 AromaticContact CZ-ND1 3.92Å |
| 319 | H | 90.3 | Very high | 92.1 | Very high | 33 Ų | 33 | 73.7 Ų | 73.7 | 15% | 0.153 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -80.6 | -16.8 | 174.3 | -53.9 | -79.1 | 0 | 0 | 0 | 113.1 | L301 T306 R307 Y309 | L301-H319 HydrophobicContact CB-CB 4.11Å; L301-H319 WeakPolarHBondContact CD1-O 3.15Å; L301-H319 PolarHBondContact O-CE1 3.2Å; L301-H319 PolarHBondContact O-ND1 2.99Å; T306-H319 PolarHBondContact O-ND1 3.04Å; R307-H319 WeakPolarHBondContact CG-CE1 3.36Å; R307-H319 PolarHBondContact NE-NE2 3.17Å; Y309-H319 WeakPolarHBondContact CE2-O 3.21Å |
| 320 | Q | 90.8 | Very high | 92 | Very high | 77 Ų | 77 | 76.2 Ų | 76.2 | 36% | 0.36 | 37% | 0.373 | S | S | . | . | trans | -132.4 | 139.1 | 176.9 | -56.3 | -171.4 | 17.9 | 0 | 0 | 112.7 | S322 D323 M324 | Q320-S322 VanDerWaalsContact C-N 3.26Å; Q320-S322 WeakPolarHBondContact CB-OG 3.42Å; Q320-S322 PolarHBondContact O-N 2.84Å; Q320-S322 PolarHBondContact OE1-OG 3.44Å; Q320-D323 PolarHBondContact O-N 3.11Å; Q320-M324 PolarHBondContact O-N 2.79Å; Q320-M324 VanDerWaalsContact O-N 3.12Å | ||
| 321 | K | 91.2 | Very high | 91.9 | Very high | 141 Ų | 141 | 77.2 Ų | 77.2 | 61% | 0.613 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.1 | -33.8 | 175.9 | -173 | 170.6 | -179.6 | 171.4 | 0 | 112.6 | Y309 M324 K325 | Y309-K321 HydrophobicContact CD1-CB 3.82Å; Y309-K321 HydrophobicContact CD1-CG 4.3Å; Y309-K321 HydrophobicContact CD2-CB 4.36Å; Y309-K321 HydrophobicContact CE1-CB 3.78Å; Y309-K321 HydrophobicContact CE1-CD 4.4Å; Y309-K321 HydrophobicContact CE1-CG 4.41Å; Y309-K321 HydrophobicContact CE2-CB 4.3Å; Y309-K321 HydrophobicContact CG-CB 4.11Å; K321-M324 HydrophobicContact CG-CE 4.38Å; K321-K325 WeakPolarHBondContact O-CB 3.35Å; K321-K325 PolarHBondContact O-N 3.18Å |
| 322 | S | 90.9 | Very high | 91.7 | Very high | 53 Ų | 53 | 79.8 Ų | 79.8 | 37% | 0.371 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 174.8 | 46.4 | 0 | 0 | 0 | 0 | 112.4 | Q320 K325 K326 | Q320-S322 VanDerWaalsContact C-N 3.26Å; Q320-S322 WeakPolarHBondContact CB-OG 3.42Å; Q320-S322 PolarHBondContact O-N 2.84Å; Q320-S322 PolarHBondContact OE1-OG 3.44Å; S322-K325 PolarHBondContact O-N 2.99Å; S322-K326 WeakPolarHBondContact O-CG 3.27Å; S322-K326 PolarHBondContact O-N 3.34Å |
| 323 | D | 91.8 | Very high | 91.6 | Very high | 58 Ų | 58 | 73.2 Ų | 73.2 | 31% | 0.31 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -78.7 | -36.4 | -178.2 | -62.9 | -34.4 | 0 | 0 | 0 | 111.7 | F318 Q320 K325 K326 H327 | F318-D323 HydrophobicContact CD1-CB 4.29Å; Q320-D323 PolarHBondContact O-N 3.11Å; D323-K325 VanDerWaalsContact C-N 3.34Å; D323-K325 PolarHBondContact O-N 3.02Å; D323-K326 PolarHBondContact O-N 3.19Å; D323-K326 IonicContact OD1-NZ 2.72Å; D323-K326 PolarHBondContact OD1-NZ 3.38Å; D323-H327 WeakPolarHBondContact O-CB 3.45Å; D323-H327 PolarHBondContact O-N 3.02Å |
| 324 | M | 94.6 | Very high | 91.5 | Very high | 36 Ų | 36 | 72 Ų | 72 | 18% | 0.177 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -56.7 | -47.1 | 167 | -175.9 | -79.5 | -70.3 | 0 | 0 | 111.1 | F318 Q320 K321 K326 H327 T328 | F318-M324 HydrophobicContact CB-CB 4.07Å; F318-M324 HydrophobicContact CD2-CB 3.68Å; F318-M324 HydrophobicContact CD2-CG 3.88Å; F318-M324 HydrophobicContact CE2-CB 4.44Å; F318-M324 HydrophobicContact CE2-CG 4.41Å; F318-M324 HydrophobicContact CG-CB 3.97Å; Q320-M324 PolarHBondContact O-N 2.79Å; Q320-M324 VanDerWaalsContact O-N 3.12Å; K321-M324 HydrophobicContact CG-CE 4.38Å; M324-K326 PolarHBondContact O-N 2.93Å; M324-H327 WeakPolarHBondContact O-CA 3.39Å; M324-H327 WeakPolarHBondContact O-CB 3.5Å; M324-H327 PolarHBondContact O-N 3.07Å; M324-T328 PolarHBondContact O-N 3.48Å; M324-T328 HydrophobicContact SD-CG2 3.85Å |
| 325 | K | 92.5 | Very high | 91.5 | Very high | 138 Ų | 138 | 75.2 Ų | 75.2 | 60% | 0.6 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -65.3 | -32.5 | 176.9 | -176.2 | 171 | -178.7 | 174.3 | 0 | 113.7 | K321 S322 D323 H327 T328 | K321-K325 WeakPolarHBondContact O-CB 3.35Å; K321-K325 PolarHBondContact O-N 3.18Å; S322-K325 PolarHBondContact O-N 2.99Å; D323-K325 VanDerWaalsContact C-N 3.34Å; D323-K325 PolarHBondContact O-N 3.02Å; K325-H327 VanDerWaalsContact C-N 3.3Å; K325-T328 PolarHBondContact O-OG1 2.99Å |
| 326 | K | 91.8 | Very high | 91.6 | Very high | 87 Ų | 87 | 76.6 Ų | 76.6 | 38% | 0.378 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -68.8 | -32.2 | 171 | -68 | 165.8 | -155.1 | 161.5 | 0 | 111.7 | S322 D323 M324 F329 | S322-K326 WeakPolarHBondContact O-CG 3.27Å; S322-K326 PolarHBondContact O-N 3.34Å; D323-K326 PolarHBondContact O-N 3.19Å; D323-K326 IonicContact OD1-NZ 2.72Å; D323-K326 PolarHBondContact OD1-NZ 3.38Å; M324-K326 PolarHBondContact O-N 2.93Å; K326-F329 WeakPolarHBondContact O-CD2 3.38Å |
| 327 | H | 93.1 | Very high | 91.6 | Very high | 27 Ų | 27 | 73.9 Ų | 73.9 | 13% | 0.125 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -73.1 | -33.2 | 177.8 | 172.1 | 70 | 0 | 0 | 0 | 112.6 | C311 C314 F318 D323 M324 K325 F329 I330 H331 | C311-H327 VanDerWaalsContact SG-CD2 3.53Å; C314-H327 PolarHBondContact SG-NE2 3.22Å; F318-H327 HydrophobicContact CE1-CB 4.01Å; F318-H327 HydrophobicContact CE2-CB 4.05Å; F318-H327 AromaticContact CE2-CD2 3.59Å; F318-H327 AromaticContact CE2-CG 3.86Å; F318-H327 HydrophobicContact CZ-CB 3.5Å; F318-H327 AromaticContact CZ-CD2 3.51Å; F318-H327 AromaticContact CZ-CG 3.33Å; F318-H327 AromaticContact CZ-ND1 3.92Å; D323-H327 WeakPolarHBondContact O-CB 3.45Å; D323-H327 PolarHBondContact O-N 3.02Å; M324-H327 WeakPolarHBondContact O-CA 3.39Å; M324-H327 WeakPolarHBondContact O-CB 3.5Å; M324-H327 PolarHBondContact O-N 3.07Å; K325-H327 VanDerWaalsContact C-N 3.3Å; H327-F329 PolarHBondContact O-N 2.88Å; H327-I330 WeakPolarHBondContact O-CB 3.38Å; H327-I330 WeakPolarHBondContact O-CG1 3.33Å; H327-I330 PolarHBondContact O-N 3.42Å; H327-H331 AromaticContact CD2-NE2 3.87Å; H327-H331 AromaticContact CE1-NE2 3.56Å; H327-H331 AromaticContact NE2-CD2 3.82Å; H327-H331 AromaticContact NE2-NE2 3.04Å; H327-H331 PolarHBondContact NE2-NE2 3.5Å |
| 328 | T | 92.6 | Very high | 91.7 | Very high | 26 Ų | 26 | 74.7 Ų | 74.7 | 16% | 0.16 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.2 | -27 | 177.4 | 52.7 | 0 | 0 | 0 | 0 | 113.3 | Y313 M324 K325 I330 H331 T332 | Y313-T328 HydrophobicContact CD2-CG2 4.2Å; Y313-T328 HydrophobicContact CE2-CG2 4.09Å; M324-T328 PolarHBondContact O-N 3.48Å; M324-T328 HydrophobicContact SD-CG2 3.85Å; K325-T328 PolarHBondContact O-OG1 2.99Å; T328-I330 PolarHBondContact O-N 3.32Å; T328-I330 VanDerWaalsContact O-N 3.13Å; T328-H331 PolarHBondContact O-N 3.17Å; T328-T332 PolarHBondContact O-N 2.73Å; T328-T332 PolarHBondContact O-OG1 3.24Å |
| 329 | F | 92.8 | Very high | 91.8 | Very high | 35 Ų | 35 | 72.7 Ų | 72.7 | 15% | 0.154 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.6 | -17.9 | 173.1 | -59.4 | -36.4 | 0 | 0 | 0 | 114.6 | K326 H327 G333 E334 S347 | K326-F329 WeakPolarHBondContact O-CD2 3.38Å; H327-F329 PolarHBondContact O-N 2.88Å; F329-G333 WeakPolarHBondContact O-CA 3.43Å; F329-G333 PolarHBondContact O-N 3.23Å; F329-E334 HydrophobicContact CD1-CB 3.83Å; F329-E334 WeakPolarHBondContact CD1-OE2 3.46Å; F329-E334 HydrophobicContact CE1-CB 4.4Å; F329-E334 WeakPolarHBondContact CE1-OE2 3.13Å; F329-S347 WeakPolarHBondContact CD2-O 3.4Å |
| 330 | I | 91.8 | Very high | 91.9 | Very high | 119 Ų | 119 | 79.8 Ų | 79.8 | 61% | 0.61 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -73.1 | -36.3 | 172.5 | -57.9 | 179.9 | 0 | 0 | 0 | 110.3 | H327 T328 | H327-I330 WeakPolarHBondContact O-CB 3.38Å; H327-I330 WeakPolarHBondContact O-CG1 3.33Å; H327-I330 PolarHBondContact O-N 3.42Å; T328-I330 PolarHBondContact O-N 3.32Å; T328-I330 VanDerWaalsContact O-N 3.13Å |
| 331 | H | 91.1 | Very high | 91.9 | Very high | 76 Ų | 76 | 81.3 Ų | 81.3 | 35% | 0.352 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -83.2 | -40.2 | -179.6 | -58.6 | -74.4 | 0 | 0 | 0 | 112.4 | Y313 C314 H327 T328 G333 | Y313-H331 VanDerWaalsContact CB-CG 3.45Å; Y313-H331 HydrophobicContact CD1-CB 4.13Å; Y313-H331 HydrophobicContact CD2-CB 3.69Å; Y313-H331 AromaticContact CD2-CD2 3.88Å; Y313-H331 AromaticContact CD2-CG 3.86Å; Y313-H331 HydrophobicContact CE2-CB 4.23Å; Y313-H331 HydrophobicContact CG-CB 3.64Å; Y313-H331 AromaticContact CG-CG 3.73Å; C314-H331 PolarHBondContact SG-NE2 2.95Å; C314-H331 VanDerWaalsContact SG-NE2 3.35Å; H327-H331 AromaticContact CD2-NE2 3.87Å; H327-H331 AromaticContact CE1-NE2 3.56Å; H327-H331 AromaticContact NE2-CD2 3.82Å; H327-H331 AromaticContact NE2-NE2 3.04Å; H327-H331 PolarHBondContact NE2-NE2 3.5Å; T328-H331 PolarHBondContact O-N 3.17Å; H331-G333 VanDerWaalsContact C-N 3.31Å |
| 332 | T | 89.6 | Confident | 92 | Very high | 57 Ų | 57 | 77 Ų | 77 | 35% | 0.35 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -80.4 | -12.3 | 178.6 | 62.2 | 0 | 0 | 0 | 0 | 113.3 | Y313 T328 E334 | Y313-T332 HydrophobicContact CE2-CG2 4.34Å; T328-T332 PolarHBondContact O-N 2.73Å; T328-T332 PolarHBondContact O-OG1 3.24Å; T332-E334 PolarHBondContact O-N 3.07Å; T332-E334 VanDerWaalsContact O-N 3.11Å; T332-E334 WeakPolarHBondContact OG1-CB 3.45Å; T332-E334 WeakPolarHBondContact OG1-CG 3.28Å; T332-E334 PolarHBondContact OG1-N 3.06Å |
| 333 | G | 89.6 | Confident | 92 | Very high | 45 Ų | 45 | 77.2 Ų | 77.2 | 46% | 0.464 | 41% | 0.41 | S | S | . | . | trans | 66.7 | 3.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | F329 H331 K335 | F329-G333 WeakPolarHBondContact O-CA 3.43Å; F329-G333 PolarHBondContact O-N 3.23Å; H331-G333 VanDerWaalsContact C-N 3.31Å; G333-K335 PolarHBondContact O-N 3.21Å | ||
| 334 | E | 90.4 | Very high | 92 | Very high | 111 Ų | 111 | 80.7 Ų | 80.7 | 52% | 0.519 | 42% | 0.422 | S | S | . | . | trans | -61.6 | 124.9 | -175.8 | -77 | 178.7 | 166.4 | 0 | 0 | 112 | F329 T332 P336 | F329-E334 HydrophobicContact CD1-CB 3.83Å; F329-E334 WeakPolarHBondContact CD1-OE2 3.46Å; F329-E334 HydrophobicContact CE1-CB 4.4Å; F329-E334 WeakPolarHBondContact CE1-OE2 3.13Å; T332-E334 PolarHBondContact O-N 3.07Å; T332-E334 VanDerWaalsContact O-N 3.11Å; T332-E334 WeakPolarHBondContact OG1-CB 3.45Å; T332-E334 WeakPolarHBondContact OG1-CG 3.28Å; T332-E334 PolarHBondContact OG1-N 3.06Å; E334-P336 WeakPolarHBondContact O-CD 3.47Å | ||
| 335 | K | 91.6 | Very high | 91.9 | Very high | 120 Ų | 120 | 80.6 Ų | 80.6 | 52% | 0.522 | 43% | 0.427 | S | S | . | . | trans | -125.8 | 72.8 | -179.8 | -71.2 | 167.1 | -175.4 | 175.9 | 0 | 109.9 | G333 H337 A345 F346 | G333-K335 PolarHBondContact O-N 3.21Å; K335-H337 PolarHBondContact O-N 2.7Å; K335-H337 VanDerWaalsContact O-N 3.15Å; K335-A345 HydrophobicContact CB-CB 3.54Å; K335-A345 HydrophobicContact CD-CB 4.29Å; K335-A345 HydrophobicContact CG-CB 4.47Å; K335-F346 CarbonylContact C-O 3.35Å; K335-F346 VanDerWaalsContact C-O 3.28Å; K335-F346 WeakPolarHBondContact CA-O 3.23Å | ||
| 336 | P | 90.6 | Very high | 91.9 | Very high | 78 Ų | 78 | 76.2 Ų | 76.2 | 51% | 0.506 | 41% | 0.408 | S | S | . | . | trans | -65.7 | -15.7 | -173.4 | 25.5 | -35 | 0 | 0 | 0 | 114.2 | E334 | E334-P336 WeakPolarHBondContact O-CD 3.47Š| ||
| 337 | H | 93.2 | Very high | 91.9 | Very high | 63 Ų | 63 | 73.6 Ų | 73.6 | 29% | 0.292 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 91.1 | -176 | -57.6 | -63.6 | 0 | 0 | 0 | 111.2 | K335 F346 S349 L352 | K335-H337 PolarHBondContact O-N 2.7Å; K335-H337 VanDerWaalsContact O-N 3.15Å; H337-F346 HydrophobicContact CB-CB 4.4Å; H337-F346 WeakPolarHBondContact CB-O 3.48Å; H337-F346 PolarHBondContact N-O 3.14Å; H337-F346 PolarHBondContact O-N 2.81Å; H337-S349 PolarHBondContact CD2-N 3.22Å; H337-S349 PolarHBondContact NE2-N 3.31Å; H337-L352 HydrophobicContact CB-CB 4.06Å; H337-L352 HydrophobicContact CB-CD2 3.86Å |
| 338 | K | 93.5 | Very high | 91.8 | Very high | 142 Ų | 142 | 75.6 Ų | 75.6 | 62% | 0.617 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 138.9 | 178.1 | -61.9 | -175.7 | 179.9 | -180 | 0 | 112.2 | A345 | K338-A345 HydrophobicContact CG-CB 3.92Å |
| 339 | C | 94.1 | Very high | 91.8 | Very high | 5 Ų | 5 | 77.4 Ų | 77.4 | 3% | 0.034 | 42% | 0.424 | C | S | . | . | trans | -83.4 | 121.9 | 171.1 | -173.3 | 0 | 0 | 0 | 0 | 110.2 | V341 G343 K344 F346 L352 H359 | C339-V341 VanDerWaalsContact C-N 3.28Å; C339-V341 PolarHBondContact O-N 3.26Å; C339-G343 VanDerWaalsContact O-CA 3.23Å; C339-G343 WeakPolarHBondContact O-CA 3.09Å; C339-G343 PolarHBondContact O-N 3.15Å; C339-K344 WeakPolarHBondContact CB-O 3.25Å; C339-K344 PolarHBondContact N-O 2.92Å; C339-F346 HydrophobicContact CB-CE2 4.45Å; C339-L352 HydrophobicContact CB-CD1 3.56Å; C339-H359 PolarHBondContact SG-NE2 2.92Å | ||
| 340 | Q | 92.3 | Very high | 91.7 | Very high | 182 Ų | 182 | 78.3 Ų | 78.3 | 85% | 0.85 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -22.6 | -178.4 | -55.5 | -58.2 | -12 | 0 | 0 | 113.5 | ||
| 341 | V | 91.5 | Very high | 91.8 | Very high | 108 Ų | 108 | 75.9 Ų | 75.9 | 66% | 0.655 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -32.7 | -177.9 | -177.7 | 0 | 0 | 0 | 0 | 112.5 | C339 H359 | C339-V341 VanDerWaalsContact C-N 3.28Å; C339-V341 PolarHBondContact O-N 3.26Å; V341-H359 HydrophobicContact CG1-CB 4.24Å |
| 342 | C | 92.7 | Very high | 91.9 | Very high | 52 Ų | 52 | 74 Ų | 74 | 35% | 0.351 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.7 | 12 | -171.6 | 69.7 | 0 | 0 | 0 | 0 | 114.5 | K344 H355 H359 | C342-K344 PolarHBondContact O-N 2.85Å; C342-H355 PolarHBondContact SG-NE2 2.56Å; C342-H359 PolarHBondContact SG-NE2 3.16Å; C342-H359 VanDerWaalsContact SG-NE2 3.4Å |
| 343 | G | 90.2 | Very high | 92 | Very high | 56 Ų | 56 | 75.6 Ų | 75.6 | 58% | 0.577 | 42% | 0.421 | S | S | * | . | trans | 68.2 | -15.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | C339 A345 | C339-G343 VanDerWaalsContact O-CA 3.23Å; C339-G343 WeakPolarHBondContact O-CA 3.09Å; C339-G343 PolarHBondContact O-N 3.15Å; G343-A345 PolarHBondContact O-N 3.48Å | ||
| 344 | K | 92.6 | Very high | 92.1 | Very high | 131 Ų | 131 | 75.3 Ų | 75.3 | 57% | 0.57 | 41% | 0.41 | S | S | * | . | trans | -60.2 | 127.9 | -172 | -68 | -172.9 | 178.6 | -173 | 0 | 112.1 | C339 C342 F346 | C339-K344 WeakPolarHBondContact CB-O 3.25Å; C339-K344 PolarHBondContact N-O 2.92Å; C342-K344 PolarHBondContact O-N 2.85Å; K344-F346 HydrophobicContact CB-CE2 4.07Å; K344-F346 HydrophobicContact CB-CZ 4.16Å; K344-F346 WeakPolarHBondContact O-CE2 3.49Å | ||
| 345 | A | 93.4 | Very high | 92.2 | Very high | 35 Ų | 35 | 71.2 Ų | 71.2 | 29% | 0.289 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 143.2 | -175 | 0 | 0 | 0 | 0 | 0 | 112.3 | K335 K338 G343 | K335-A345 HydrophobicContact CB-CB 3.54Å; K335-A345 HydrophobicContact CD-CB 4.29Å; K335-A345 HydrophobicContact CG-CB 4.47Å; K338-A345 HydrophobicContact CG-CB 3.92Å; G343-A345 PolarHBondContact O-N 3.48Å |
| 346 | F | 91.3 | Very high | 92.2 | Very high | 45 Ų | 45 | 67.6 Ų | 67.6 | 20% | 0.197 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 147.4 | -177.9 | -58.4 | -86 | 0 | 0 | 0 | 111.7 | K335 H337 C339 K344 Q348 N351 L352 H355 | K335-F346 CarbonylContact C-O 3.35Å; K335-F346 VanDerWaalsContact C-O 3.28Å; K335-F346 WeakPolarHBondContact CA-O 3.23Å; H337-F346 HydrophobicContact CB-CB 4.4Å; H337-F346 WeakPolarHBondContact CB-O 3.48Å; H337-F346 PolarHBondContact N-O 3.14Å; H337-F346 PolarHBondContact O-N 2.81Å; C339-F346 HydrophobicContact CB-CE2 4.45Å; K344-F346 HydrophobicContact CB-CE2 4.07Å; K344-F346 HydrophobicContact CB-CZ 4.16Å; K344-F346 WeakPolarHBondContact O-CE2 3.49Å; F346-Q348 VanDerWaalsContact C-N 3.32Å; F346-N351 HydrophobicContact CB-CB 4.21Å; F346-N351 HydrophobicContact CD1-CB 3.94Å; F346-N351 HydrophobicContact CG-CB 4.28Å; F346-L352 HydrophobicContact CB-CB 4.48Å; F346-L352 HydrophobicContact CD2-CB 3.97Å; F346-L352 HydrophobicContact CD2-CD1 3.96Å; F346-L352 HydrophobicContact CE2-CD1 4.13Å; F346-L352 HydrophobicContact CG-CB 4.45Å; F346-H355 HydrophobicContact CE1-CB 4.19Å; F346-H355 HydrophobicContact CE2-CB 3.86Å; F346-H355 AromaticContact CE2-CD2 3.64Å; F346-H355 AromaticContact CE2-CG 3.66Å; F346-H355 HydrophobicContact CZ-CB 3.54Å; F346-H355 AromaticContact CZ-CD2 3.73Å; F346-H355 AromaticContact CZ-CG 3.32Å; F346-H355 AromaticContact CZ-ND1 3.66Å |
| 347 | S | 91.8 | Very high | 92.3 | Very high | 33 Ų | 33 | 66.5 Ų | 66.5 | 23% | 0.231 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -77.5 | -13.3 | 174.8 | 53.9 | 0 | 0 | 0 | 0 | 113.9 | F329 | F329-S347 WeakPolarHBondContact CD2-O 3.4Š|
| 348 | Q | 92.3 | Very high | 92.1 | Very high | 69 Ų | 69 | 70.1 Ų | 70.1 | 32% | 0.322 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -137 | 139.4 | 179.9 | -58.9 | -174.1 | 4.2 | 0 | 0 | 111.8 | F346 S350 N351 L352 | F346-Q348 VanDerWaalsContact C-N 3.32Å; Q348-S350 VanDerWaalsContact C-N 3.32Å; Q348-S350 PolarHBondContact O-N 2.94Å; Q348-S350 PolarHBondContact OE1-OG 2.81Å; Q348-N351 HydrophobicContact CB-CB 4.47Å; Q348-N351 WeakPolarHBondContact O-CB 3.24Å; Q348-N351 PolarHBondContact O-N 2.85Å; Q348-N351 VanDerWaalsContact O-N 3.13Å; Q348-L352 PolarHBondContact O-N 3.22Å |
| 349 | S | 92.7 | Very high | 91.9 | Very high | 63 Ų | 63 | 67 Ų | 67 | 44% | 0.441 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.7 | -33.3 | 179.4 | 56.7 | 0 | 0 | 0 | 0 | 113.1 | H337 N351 L352 I353 | H337-S349 PolarHBondContact CD2-N 3.22Å; H337-S349 PolarHBondContact NE2-N 3.31Å; S349-N351 VanDerWaalsContact C-N 3.28Å; S349-N351 PolarHBondContact O-N 3.39Å; S349-L352 PolarHBondContact O-N 3.44Å; S349-I353 VanDerWaalsContact O-CG1 3.3Å; S349-I353 WeakPolarHBondContact O-CG1 3.22Å; S349-I353 PolarHBondContact O-N 3.1Å |
| 350 | S | 90.7 | Very high | 91.6 | Very high | 54 Ų | 54 | 71.7 Ų | 71.7 | 38% | 0.378 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -56.8 | -39.3 | 171.1 | 45 | 0 | 0 | 0 | 0 | 112.8 | Q348 T354 | Q348-S350 VanDerWaalsContact C-N 3.32Å; Q348-S350 PolarHBondContact O-N 2.94Å; Q348-S350 PolarHBondContact OE1-OG 2.81Å; S350-T354 WeakPolarHBondContact O-CG2 3.48Å; S350-T354 PolarHBondContact O-N 3.44Å; S350-T354 PolarHBondContact O-OG1 3.25Å |
| 351 | N | 92.1 | Very high | 91.4 | Very high | 68 Ų | 68 | 65 Ų | 65 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -72.7 | -38.2 | 178.2 | -65.5 | -9.1 | 0 | 0 | 0 | 110.7 | F346 Q348 S349 T354 H355 | F346-N351 HydrophobicContact CB-CB 4.21Å; F346-N351 HydrophobicContact CD1-CB 3.94Å; F346-N351 HydrophobicContact CG-CB 4.28Å; Q348-N351 HydrophobicContact CB-CB 4.47Å; Q348-N351 WeakPolarHBondContact O-CB 3.24Å; Q348-N351 PolarHBondContact O-N 2.85Å; Q348-N351 VanDerWaalsContact O-N 3.13Å; S349-N351 VanDerWaalsContact C-N 3.28Å; S349-N351 PolarHBondContact O-N 3.39Å; N351-T354 WeakPolarHBondContact CA-OG1 3.48Å; N351-T354 PolarHBondContact O-OG1 3.44Å; N351-H355 WeakPolarHBondContact O-CB 3.43Å; N351-H355 PolarHBondContact O-N 2.82Å |
| 352 | L | 94 | Very high | 91.4 | Very high | 37 Ų | 37 | 66.6 Ų | 66.6 | 19% | 0.194 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 171.2 | 174.7 | 60.2 | 0 | 0 | 0 | 112.1 | H337 C339 F346 Q348 S349 H355 S356 | H337-L352 HydrophobicContact CB-CB 4.06Å; H337-L352 HydrophobicContact CB-CD2 3.86Å; C339-L352 HydrophobicContact CB-CD1 3.56Å; F346-L352 HydrophobicContact CB-CB 4.48Å; F346-L352 HydrophobicContact CD2-CB 3.97Å; F346-L352 HydrophobicContact CD2-CD1 3.96Å; F346-L352 HydrophobicContact CE2-CD1 4.13Å; F346-L352 HydrophobicContact CG-CB 4.45Å; Q348-L352 PolarHBondContact O-N 3.22Å; S349-L352 PolarHBondContact O-N 3.44Å; L352-H355 WeakPolarHBondContact O-CB 3.48Å; L352-H355 PolarHBondContact O-N 3.4Å; L352-S356 PolarHBondContact O-N 3.34Å |
| 353 | I | 92.3 | Very high | 91.4 | Very high | 90 Ų | 90 | 70 Ų | 70 | 46% | 0.462 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.3 | -37.4 | 179.3 | -68.1 | 162.4 | 0 | 0 | 0 | 111.9 | S349 S356 R357 | S349-I353 VanDerWaalsContact O-CG1 3.3Å; S349-I353 WeakPolarHBondContact O-CG1 3.22Å; S349-I353 PolarHBondContact O-N 3.1Å; I353-S356 PolarHBondContact O-OG 3.19Å; I353-S356 VanDerWaalsContact O-OG 3.09Å; I353-R357 WeakPolarHBondContact O-CG 3.44Å |
| 354 | T | 91 | Very high | 91.4 | Very high | 40 Ų | 40 | 69.6 Ų | 69.6 | 25% | 0.245 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -75.5 | -28.7 | 175 | 49.3 | 0 | 0 | 0 | 0 | 112.1 | S350 N351 R376 | S350-T354 WeakPolarHBondContact O-CG2 3.48Å; S350-T354 PolarHBondContact O-N 3.44Å; S350-T354 PolarHBondContact O-OG1 3.25Å; N351-T354 WeakPolarHBondContact CA-OG1 3.48Å; N351-T354 PolarHBondContact O-OG1 3.44Å; T354-R376 HydrophobicContact CG2-CG 4.37Å |
| 355 | H | 92.5 | Very high | 91.4 | Very high | 24 Ų | 24 | 66.4 Ų | 66.4 | 11% | 0.111 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.8 | -44.1 | 170.8 | 174.9 | 74.5 | 0 | 0 | 0 | 112.7 | C342 F346 N351 L352 R357 K358 H359 | C342-H355 PolarHBondContact SG-NE2 2.56Å; F346-H355 HydrophobicContact CE1-CB 4.19Å; F346-H355 HydrophobicContact CE2-CB 3.86Å; F346-H355 AromaticContact CE2-CD2 3.64Å; F346-H355 AromaticContact CE2-CG 3.66Å; F346-H355 HydrophobicContact CZ-CB 3.54Å; F346-H355 AromaticContact CZ-CD2 3.73Å; F346-H355 AromaticContact CZ-CG 3.32Å; F346-H355 AromaticContact CZ-ND1 3.66Å; N351-H355 WeakPolarHBondContact O-CB 3.43Å; N351-H355 PolarHBondContact O-N 2.82Å; L352-H355 WeakPolarHBondContact O-CB 3.48Å; L352-H355 PolarHBondContact O-N 3.4Å; H355-R357 PolarHBondContact O-N 3.14Å; H355-K358 VanDerWaalsContact O-CB 3.23Å; H355-K358 WeakPolarHBondContact O-CB 3.5Å; H355-K358 WeakPolarHBondContact O-CG 3.44Å; H355-K358 PolarHBondContact O-N 3.4Å; H355-H359 AromaticContact CD2-NE2 3.79Å; H355-H359 AromaticContact CE1-NE2 3.89Å; H355-H359 AromaticContact NE2-CE1 3.79Å; H355-H359 AromaticContact NE2-NE2 3.1Å; H355-H359 PolarHBondContact NE2-NE2 2.85Å |
| 356 | S | 91.6 | Very high | 91.3 | Very high | 45 Ų | 45 | 66.5 Ų | 66.5 | 32% | 0.315 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.9 | -27.2 | -177.1 | 64.3 | 0 | 0 | 0 | 0 | 113.4 | L352 I353 K358 H359 T360 | L352-S356 PolarHBondContact O-N 3.34Å; I353-S356 PolarHBondContact O-OG 3.19Å; I353-S356 VanDerWaalsContact O-OG 3.09Å; S356-K358 PolarHBondContact O-N 3.5Å; S356-K358 VanDerWaalsContact O-N 3.14Å; S356-H359 PolarHBondContact O-N 3.12Å; S356-T360 PolarHBondContact O-N 3.14Å |
| 357 | R | 92.6 | Very high | 91.4 | Very high | 55 Ų | 55 | 64.5 Ų | 64.5 | 21% | 0.208 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.3 | -17.6 | 169.6 | -66.2 | 174.8 | -166 | 176.1 | -0.2 | 114.4 | I353 H355 G361 Y362 Q375 | I353-R357 WeakPolarHBondContact O-CG 3.44Å; H355-R357 PolarHBondContact O-N 3.14Å; R357-G361 CarbonylContact O-C 3.51Å; R357-G361 WeakPolarHBondContact O-CA 3.48Å; R357-G361 PolarHBondContact O-N 3.09Å; R357-Y362 HydrophobicContact CG-CD1 4.28Å; R357-Y362 PolarHBondContact O-N 2.87Å; R357-Q375 HydrophobicContact CB-CB 4.42Å; R357-Q375 HydrophobicContact CB-CG 4.18Å; R357-Q375 PolarHBondContact NH1-O 3.23Å; R357-Q375 PolarHBondContact O-NE2 3.12Å; R357-Q375 VanDerWaalsContact O-NE2 3.12Å |
| 358 | K | 89.5 | Confident | 91.4 | Very high | 138 Ų | 138 | 69.3 Ų | 69.3 | 60% | 0.6 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -72.2 | -38.8 | 171.9 | -63.9 | -171.5 | 178.3 | -161.7 | 0 | 111.8 | H355 S356 | H355-K358 VanDerWaalsContact O-CB 3.23Å; H355-K358 WeakPolarHBondContact O-CB 3.5Å; H355-K358 WeakPolarHBondContact O-CG 3.44Å; H355-K358 PolarHBondContact O-N 3.4Å; S356-K358 PolarHBondContact O-N 3.5Å; S356-K358 VanDerWaalsContact O-N 3.14Å |
| 359 | H | 89.8 | Confident | 91.3 | Very high | 78 Ų | 78 | 71 Ų | 71 | 36% | 0.361 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -73.6 | -39.9 | 178.8 | -56.4 | -49.5 | 0 | 0 | 0 | 112 | C339 V341 C342 H355 S356 G361 | C339-H359 PolarHBondContact SG-NE2 2.92Å; V341-H359 HydrophobicContact CG1-CB 4.24Å; C342-H359 PolarHBondContact SG-NE2 3.16Å; C342-H359 VanDerWaalsContact SG-NE2 3.4Å; H355-H359 AromaticContact CD2-NE2 3.79Å; H355-H359 AromaticContact CE1-NE2 3.89Å; H355-H359 AromaticContact NE2-CE1 3.79Å; H355-H359 AromaticContact NE2-NE2 3.1Å; H355-H359 PolarHBondContact NE2-NE2 2.85Å; S356-H359 PolarHBondContact O-N 3.12Å; H359-G361 VanDerWaalsContact C-N 3.34Å |
| 360 | T | 88.1 | Confident | 91.3 | Very high | 103 Ų | 103 | 70.5 Ų | 70.5 | 63% | 0.632 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -85.4 | -4.1 | -179.8 | 63.4 | 0 | 0 | 0 | 0 | 114.2 | S356 Y362 | S356-T360 PolarHBondContact O-N 3.14Å; T360-Y362 PolarHBondContact O-N 2.85Å; T360-Y362 WeakPolarHBondContact OG1-CB 3.36Å; T360-Y362 PolarHBondContact OG1-N 3.21Å |
| 361 | G | 87.8 | Confident | 91.2 | Very high | 41 Ų | 41 | 71.1 Ų | 71.1 | 42% | 0.423 | 40% | 0.395 | S | S | . | . | trans | 64 | 0.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | R357 H359 K363 | R357-G361 CarbonylContact O-C 3.51Å; R357-G361 WeakPolarHBondContact O-CA 3.48Å; R357-G361 PolarHBondContact O-N 3.09Å; H359-G361 VanDerWaalsContact C-N 3.34Å; G361-K363 WeakPolarHBondContact O-CG 3.13Å; G361-K363 PolarHBondContact O-N 2.79Å | ||
| 362 | Y | 91.2 | Very high | 91.1 | Very high | 142 Ų | 142 | 73.6 Ų | 73.6 | 56% | 0.557 | 40% | 0.403 | S | S | * | . | trans | -65.3 | 118 | -168.4 | -177.9 | -113.7 | 0 | 0 | 0 | 113 | R357 T360 P364 | R357-Y362 HydrophobicContact CG-CD1 4.28Å; R357-Y362 PolarHBondContact O-N 2.87Å; T360-Y362 PolarHBondContact O-N 2.85Å; T360-Y362 WeakPolarHBondContact OG1-CB 3.36Å; T360-Y362 PolarHBondContact OG1-N 3.21Å; Y362-P364 HydrophobicContact CD1-CB 4.45Å; Y362-P364 HydrophobicContact CD1-CG 4.16Å; Y362-P364 HydrophobicContact CE1-CB 3.67Å; Y362-P364 HydrophobicContact CE1-CG 3.78Å; Y362-P364 VanDerWaalsContact O-CD 3.3Å; Y362-P364 WeakPolarHBondContact O-CD 3.33Å | ||
| 363 | K | 91.3 | Very high | 91 | Very high | 123 Ų | 123 | 73.1 Ų | 73.1 | 54% | 0.535 | 41% | 0.407 | S | S | . | . | trans | -118.8 | 81.1 | -174.1 | -76.5 | 159.4 | 171.9 | -174.1 | 0 | 110.7 | G361 F365 G373 F374 Q375 | G361-K363 WeakPolarHBondContact O-CG 3.13Å; G361-K363 PolarHBondContact O-N 2.79Å; K363-F365 PolarHBondContact O-N 3.34Å; K363-F365 VanDerWaalsContact O-N 3.16Å; K363-G373 VanDerWaalsContact CD-O 3.28Å; K363-G373 WeakPolarHBondContact CD-O 3.35Å; K363-G373 WeakPolarHBondContact CE-O 3.39Å; K363-F374 CarbonylContact C-O 3.57Å; K363-F374 WeakPolarHBondContact CA-O 3.21Å; K363-Q375 HydrophobicContact CG-CG 4.1Å | ||
| 364 | P | 90.3 | Very high | 90.9 | Very high | 47 Ų | 47 | 70.8 Ų | 70.8 | 31% | 0.305 | 39% | 0.394 | S | S | . | . | trans | -71.8 | -3.6 | -175.5 | 27 | -33.5 | 0 | 0 | 0 | 114.9 | Y362 | Y362-P364 HydrophobicContact CD1-CB 4.45Å; Y362-P364 HydrophobicContact CD1-CG 4.16Å; Y362-P364 HydrophobicContact CE1-CB 3.67Å; Y362-P364 HydrophobicContact CE1-CG 3.78Å; Y362-P364 VanDerWaalsContact O-CD 3.3Å; Y362-P364 WeakPolarHBondContact O-CD 3.33Å | ||
| 365 | F | 92.8 | Very high | 90.9 | Very high | 65 Ų | 65 | 71 Ų | 71 | 29% | 0.285 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 95.6 | -175.6 | -55.9 | -66.6 | 0 | 0 | 0 | 110.5 | K363 F374 R376 K377 L380 | K363-F365 PolarHBondContact O-N 3.34Å; K363-F365 VanDerWaalsContact O-N 3.16Å; F365-F374 HydrophobicContact CB-CB 4.4Å; F365-F374 PolarHBondContact N-O 3.1Å; F365-F374 PolarHBondContact O-N 3.07Å; F365-R376 VanDerWaalsContact CD2-C 3.44Å; F365-K377 HydrophobicContact CD1-CB 4.33Å; F365-K377 HydrophobicContact CE1-CB 4.16Å; F365-K377 HydrophobicContact CE2-CB 4.33Å; F365-K377 HydrophobicContact CZ-CB 4.16Å; F365-L380 HydrophobicContact CB-CB 4.24Å; F365-L380 HydrophobicContact CB-CD2 3.89Å |
| 366 | G | 92.1 | Very high | 90.8 | Very high | 37 Ų | 37 | 75.3 Ų | 75.3 | 38% | 0.381 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 152.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K372 L380 | G366-K372 CarbonylContact C-O 3.56Å; G366-L380 WeakPolarHBondContact O-CD1 3.15Å; G366-L380 VanDerWaalsContact O-CD2 3.22Å; G366-L380 WeakPolarHBondContact O-CD2 3.34Å |
| 367 | C | 93.6 | Very high | 90.9 | Very high | 2 Ų | 2 | 80.4 Ų | 80.4 | 1% | 0.014 | 42% | 0.424 | C | S | . | . | trans | -91.2 | 114.9 | 164 | -171.9 | 0 | 0 | 0 | 0 | 109.9 | L369 C370 G371 K372 F374 L380 H383 | C367-L369 PolarHBondContact O-N 3.03Å; C367-L369 VanDerWaalsContact O-N 3.09Å; C367-C370 PolarHBondContact O-N 3.36Å; C367-G371 WeakPolarHBondContact O-CA 3.5Å; C367-G371 PolarHBondContact O-N 2.82Å; C367-K372 PolarHBondContact N-O 3.31Å; C367-F374 HydrophobicContact CB-CE2 4.26Å; C367-L380 HydrophobicContact CB-CD1 3.62Å; C367-H383 VanDerWaalsContact SG-CD2 3.6Å; C367-H383 PolarHBondContact SG-NE2 3.32Å; C367-H383 VanDerWaalsContact SG-NE2 3.39Å | ||
| 368 | D | 91.7 | Very high | 90.8 | Very high | 134 Ų | 134 | 81.7 Ų | 81.7 | 72% | 0.717 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -16.4 | -175.7 | -36.8 | -68.2 | 0 | 0 | 0 | 113.3 | K384 | D368-K384 IonicContact OD2-NZ 2.68Å; D368-K384 PolarHBondContact OD2-NZ 2.94Å |
| 369 | L | 90.2 | Very high | 91 | Very high | 106 Ų | 106 | 76.3 Ų | 76.3 | 56% | 0.555 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -22.6 | -179.8 | -63.6 | -179.3 | 0 | 0 | 0 | 114.6 | C367 H388 L390 | C367-L369 PolarHBondContact O-N 3.03Å; C367-L369 VanDerWaalsContact O-N 3.09Å; L369-H388 HydrophobicContact CD1-CB 3.53Å; L369-H388 VanDerWaalsContact CD1-CG 3.48Å; L369-L390 HydrophobicContact CD1-CD1 3.63Å; L369-L390 HydrophobicContact CD1-CG 4.43Å |
| 370 | C | 92.6 | Very high | 91.2 | Very high | 52 Ų | 52 | 73.6 Ų | 73.6 | 35% | 0.351 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144.7 | 11 | -175.7 | 70.5 | 0 | 0 | 0 | 0 | 114.9 | C367 K372 H383 H388 | C367-C370 PolarHBondContact O-N 3.36Å; C370-K372 PolarHBondContact O-N 3.45Å; C370-H383 PolarHBondContact SG-NE2 3.45Å; C370-H388 PolarHBondContact SG-NE2 3.34Å; C370-H388 VanDerWaalsContact SG-NE2 3.41Å |
| 371 | G | 87.5 | Confident | 91.4 | Very high | 67 Ų | 67 | 74.7 Ų | 74.7 | 69% | 0.691 | 40% | 0.396 | S | S | * | . | trans | 68.7 | -9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | C367 G373 | C367-G371 WeakPolarHBondContact O-CA 3.5Å; C367-G371 PolarHBondContact O-N 2.82Å; G371-G373 PolarHBondContact O-N 3.5Å | ||
| 372 | K | 91.4 | Very high | 91.7 | Very high | 119 Ų | 119 | 79.3 Ų | 79.3 | 52% | 0.517 | 40% | 0.4 | S | S | . | . | trans | -63 | 124.5 | -174.9 | -70.7 | -179.1 | -179.1 | 176.1 | 0 | 111.7 | G366 C367 C370 F374 | G366-K372 CarbonylContact C-O 3.56Å; C367-K372 PolarHBondContact N-O 3.31Å; C370-K372 PolarHBondContact O-N 3.45Å; K372-F374 HydrophobicContact CB-CE2 3.85Å; K372-F374 HydrophobicContact CB-CZ 4.06Å; K372-F374 VanDerWaalsContact O-CD2 3.28Å; K372-F374 WeakPolarHBondContact O-CD2 3.49Å; K372-F374 WeakPolarHBondContact O-CE2 3.1Å | ||
| 373 | G | 91.7 | Very high | 91.7 | Very high | 27 Ų | 27 | 73.4 Ų | 73.4 | 28% | 0.278 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 137.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | K363 G371 | K363-G373 VanDerWaalsContact CD-O 3.28Å; K363-G373 WeakPolarHBondContact CD-O 3.35Å; K363-G373 WeakPolarHBondContact CE-O 3.39Å; G371-G373 PolarHBondContact O-N 3.5Å |
| 374 | F | 90.9 | Very high | 91.8 | Very high | 42 Ų | 42 | 69.6 Ų | 69.6 | 18% | 0.184 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 150.6 | -176.9 | -60.6 | -88.7 | 0 | 0 | 0 | 112.7 | K363 F365 C367 K372 D379 L380 H383 | K363-F374 CarbonylContact C-O 3.57Å; K363-F374 WeakPolarHBondContact CA-O 3.21Å; F365-F374 HydrophobicContact CB-CB 4.4Å; F365-F374 PolarHBondContact N-O 3.1Å; F365-F374 PolarHBondContact O-N 3.07Å; C367-F374 HydrophobicContact CB-CE2 4.26Å; K372-F374 HydrophobicContact CB-CE2 3.85Å; K372-F374 HydrophobicContact CB-CZ 4.06Å; K372-F374 VanDerWaalsContact O-CD2 3.28Å; K372-F374 WeakPolarHBondContact O-CD2 3.49Å; K372-F374 WeakPolarHBondContact O-CE2 3.1Å; F374-D379 HydrophobicContact CB-CB 4.31Å; F374-D379 HydrophobicContact CD1-CB 3.84Å; F374-D379 HydrophobicContact CG-CB 4.39Å; F374-L380 HydrophobicContact CB-CB 4.19Å; F374-L380 HydrophobicContact CD2-CB 3.94Å; F374-L380 HydrophobicContact CD2-CD1 3.76Å; F374-L380 HydrophobicContact CD2-CG 4.46Å; F374-L380 HydrophobicContact CE2-CD1 3.98Å; F374-L380 HydrophobicContact CG-CB 4.16Å; F374-H383 HydrophobicContact CE1-CB 3.91Å; F374-H383 HydrophobicContact CE2-CB 4.06Å; F374-H383 AromaticContact CE2-CD2 3.38Å; F374-H383 WeakPolarHBondContact CE2-CD2 3.33Å; F374-H383 AromaticContact CE2-CG 3.72Å; F374-H383 HydrophobicContact CZ-CB 3.49Å; F374-H383 VanDerWaalsContact CZ-CB 3.49Å; F374-H383 AromaticContact CZ-CD2 3.42Å; F374-H383 VanDerWaalsContact CZ-CD2 3.42Å; F374-H383 WeakPolarHBondContact CZ-CD2 3.35Å; F374-H383 AromaticContact CZ-CG 3.24Å; F374-H383 AromaticContact CZ-ND1 3.79Å |
| 375 | Q | 89.9 | Confident | 91.9 | Very high | 44 Ų | 44 | 70.4 Ų | 70.4 | 21% | 0.206 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -82.9 | -24.5 | -179.5 | -69.8 | 168.8 | -9.9 | 0 | 0 | 113.7 | R357 K363 | R357-Q375 HydrophobicContact CB-CB 4.42Å; R357-Q375 HydrophobicContact CB-CG 4.18Å; R357-Q375 PolarHBondContact NH1-O 3.23Å; R357-Q375 PolarHBondContact O-NE2 3.12Å; R357-Q375 VanDerWaalsContact O-NE2 3.12Å; K363-Q375 HydrophobicContact CG-CG 4.1Å |
| 376 | R | 91.4 | Very high | 91.9 | Very high | 115 Ų | 115 | 71.9 Ų | 71.9 | 43% | 0.434 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -131.6 | 143 | 179.9 | -48.4 | -179.1 | -62.3 | 168.1 | 4.4 | 110.6 | T354 F365 V378 D379 L380 | T354-R376 HydrophobicContact CG2-CG 4.37Å; F365-R376 VanDerWaalsContact CD2-C 3.44Å; R376-V378 PolarHBondContact O-N 2.89Å; R376-D379 WeakPolarHBondContact CB-OD2 3.2Å; R376-D379 IonicContact CZ-OD1 3.91Å; R376-D379 IonicContact CZ-OD2 3.83Å; R376-D379 IonicContact NE-OD1 3.66Å; R376-D379 IonicContact NE-OD2 2.78Å; R376-D379 PolarHBondContact NE-OD2 2.88Å; R376-D379 VanDerWaalsContact NH2-CG 3.34Å; R376-D379 IonicContact NH2-OD1 2.64Å; R376-D379 PolarHBondContact NH2-OD1 2.99Å; R376-D379 IonicContact NH2-OD2 3.85Å; R376-D379 PolarHBondContact NH2-OD2 3.24Å; R376-D379 VanDerWaalsContact NH2-OD2 3.15Å; R376-D379 PolarHBondContact O-N 3.22Å; R376-D379 VanDerWaalsContact O-N 3.09Å; R376-L380 PolarHBondContact O-N 3.02Å |
| 377 | K | 92.1 | Very high | 91.7 | Very high | 152 Ų | 152 | 76 Ų | 76 | 66% | 0.661 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -59.6 | -30.6 | 177.3 | -172.5 | 174.3 | -178.7 | 177.2 | 0 | 113.3 | F365 L380 R381 | F365-K377 HydrophobicContact CD1-CB 4.33Å; F365-K377 HydrophobicContact CE1-CB 4.16Å; F365-K377 HydrophobicContact CE2-CB 4.33Å; F365-K377 HydrophobicContact CZ-CB 4.16Å; K377-L380 PolarHBondContact O-N 3.12Å; K377-R381 WeakPolarHBondContact O-CB 3.46Å; K377-R381 PolarHBondContact O-N 2.95Å |
| 378 | V | 91.6 | Very high | 91.5 | Very high | 81 Ų | 81 | 78.9 Ų | 78.9 | 49% | 0.491 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.2 | -36.5 | 177.2 | -176.6 | 0 | 0 | 0 | 0 | 111.6 | R376 R381 R382 | R376-V378 PolarHBondContact O-N 2.89Å; V378-R381 PolarHBondContact O-N 2.95Å; V378-R382 WeakPolarHBondContact O-CB 3.41Å; V378-R382 PolarHBondContact O-N 3.05Å |
| 379 | D | 92.5 | Very high | 91 | Very high | 26 Ų | 26 | 75.3 Ų | 75.3 | 14% | 0.139 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -70.3 | -41.1 | 176.9 | -60.9 | -48.9 | 0 | 0 | 0 | 111.1 | F374 R376 R382 H383 | F374-D379 HydrophobicContact CB-CB 4.31Å; F374-D379 HydrophobicContact CD1-CB 3.84Å; F374-D379 HydrophobicContact CG-CB 4.39Å; R376-D379 WeakPolarHBondContact CB-OD2 3.2Å; R376-D379 IonicContact CZ-OD1 3.91Å; R376-D379 IonicContact CZ-OD2 3.83Å; R376-D379 IonicContact NE-OD1 3.66Å; R376-D379 IonicContact NE-OD2 2.78Å; R376-D379 PolarHBondContact NE-OD2 2.88Å; R376-D379 VanDerWaalsContact NH2-CG 3.34Å; R376-D379 IonicContact NH2-OD1 2.64Å; R376-D379 PolarHBondContact NH2-OD1 2.99Å; R376-D379 IonicContact NH2-OD2 3.85Å; R376-D379 PolarHBondContact NH2-OD2 3.24Å; R376-D379 VanDerWaalsContact NH2-OD2 3.15Å; R376-D379 PolarHBondContact O-N 3.22Å; R376-D379 VanDerWaalsContact O-N 3.09Å; D379-R382 IonicContact OD1-CZ 2.67Å; D379-R382 IonicContact OD1-NH2 3.27Å; D379-R382 PolarHBondContact OD1-NH2 3.01Å; D379-H383 VanDerWaalsContact O-CB 3.26Å; D379-H383 WeakPolarHBondContact O-CB 3.42Å; D379-H383 PolarHBondContact O-N 3.11Å |
| 380 | L | 93.8 | Very high | 89.9 | Confident | 21 Ų | 21 | 74.3 Ų | 74.3 | 11% | 0.11 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.6 | -47.1 | 171.8 | 172.5 | 62 | 0 | 0 | 0 | 111.8 | F365 G366 C367 F374 R376 K377 H383 K384 | F365-L380 HydrophobicContact CB-CB 4.24Å; F365-L380 HydrophobicContact CB-CD2 3.89Å; G366-L380 WeakPolarHBondContact O-CD1 3.15Å; G366-L380 VanDerWaalsContact O-CD2 3.22Å; G366-L380 WeakPolarHBondContact O-CD2 3.34Å; C367-L380 HydrophobicContact CB-CD1 3.62Å; F374-L380 HydrophobicContact CB-CB 4.19Å; F374-L380 HydrophobicContact CD2-CB 3.94Å; F374-L380 HydrophobicContact CD2-CD1 3.76Å; F374-L380 HydrophobicContact CD2-CG 4.46Å; F374-L380 HydrophobicContact CE2-CD1 3.98Å; F374-L380 HydrophobicContact CG-CB 4.16Å; R376-L380 PolarHBondContact O-N 3.02Å; K377-L380 PolarHBondContact O-N 3.12Å; L380-H383 WeakPolarHBondContact O-CB 3.39Å; L380-H383 PolarHBondContact O-N 3.38Å; L380-K384 HydrophobicContact CD1-CD 4.44Å; L380-K384 HydrophobicContact CD1-CG 4.19Å; L380-K384 PolarHBondContact O-N 3.2Å |
| 381 | R | 93.1 | Very high | 88.3 | Confident | 126 Ų | 126 | 84 Ų | 84 | 48% | 0.475 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60 | -52.5 | 178.8 | 175.9 | 174.2 | 60.2 | 78 | -2.5 | 110.8 | K377 V378 H383 K384 E385 | K377-R381 WeakPolarHBondContact O-CB 3.46Å; K377-R381 PolarHBondContact O-N 2.95Å; V378-R381 PolarHBondContact O-N 2.95Å; R381-H383 PolarHBondContact O-N 3.22Å; R381-K384 PolarHBondContact O-N 2.82Å; R381-E385 WeakPolarHBondContact CD-OE1 3.29Å; R381-E385 HydrophobicContact CG-CG 4.29Å; R381-E385 WeakPolarHBondContact CG-OE1 3.45Å; R381-E385 IonicContact CZ-OE1 2.66Å; R381-E385 IonicContact NE-OE1 3.15Å; R381-E385 IonicContact NH1-OE1 3.15Å; R381-E385 PolarHBondContact NH1-OE1 3.36Å; R381-E385 IonicContact NH1-OE2 3.36Å; R381-E385 PolarHBondContact NH1-OE2 3.43Å; R381-E385 WeakPolarHBondContact O-CG 3.3Å; R381-E385 PolarHBondContact O-N 3.31Å |
| 382 | R | 93.3 | Very high | 88.4 | Confident | 137 Ų | 137 | 84.9 Ų | 84.9 | 52% | 0.517 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -55.5 | -39.7 | 176 | 174.4 | 171.1 | 55.6 | 161 | -2.7 | 112.2 | V378 D379 E385 T386 | V378-R382 WeakPolarHBondContact O-CB 3.41Å; V378-R382 PolarHBondContact O-N 3.05Å; D379-R382 IonicContact OD1-CZ 2.67Å; D379-R382 IonicContact OD1-NH2 3.27Å; D379-R382 PolarHBondContact OD1-NH2 3.01Å; R382-E385 WeakPolarHBondContact CA-OE2 3.48Å; R382-E385 PolarHBondContact O-N 2.72Å; R382-T386 HydrophobicContact CG-CG2 4.48Å; R382-T386 WeakPolarHBondContact O-CG2 3.42Å; R382-T386 PolarHBondContact O-N 3.22Å; R382-T386 PolarHBondContact O-OG1 3.35Å |
| 383 | H | 92.7 | Very high | 88.2 | Confident | 18 Ų | 18 | 83.1 Ų | 83.1 | 8% | 0.083 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 175.1 | 164.3 | 68.4 | 0 | 0 | 0 | 112.6 | C367 C370 F374 D379 L380 R381 T386 Q387 H388 | C367-H383 VanDerWaalsContact SG-CD2 3.6Å; C367-H383 PolarHBondContact SG-NE2 3.32Å; C367-H383 VanDerWaalsContact SG-NE2 3.39Å; C370-H383 PolarHBondContact SG-NE2 3.45Å; F374-H383 HydrophobicContact CE1-CB 3.91Å; F374-H383 HydrophobicContact CE2-CB 4.06Å; F374-H383 AromaticContact CE2-CD2 3.38Å; F374-H383 WeakPolarHBondContact CE2-CD2 3.33Å; F374-H383 AromaticContact CE2-CG 3.72Å; F374-H383 HydrophobicContact CZ-CB 3.49Å; F374-H383 VanDerWaalsContact CZ-CB 3.49Å; F374-H383 AromaticContact CZ-CD2 3.42Å; F374-H383 VanDerWaalsContact CZ-CD2 3.42Å; F374-H383 WeakPolarHBondContact CZ-CD2 3.35Å; F374-H383 AromaticContact CZ-CG 3.24Å; F374-H383 AromaticContact CZ-ND1 3.79Å; D379-H383 VanDerWaalsContact O-CB 3.26Å; D379-H383 WeakPolarHBondContact O-CB 3.42Å; D379-H383 PolarHBondContact O-N 3.11Å; L380-H383 WeakPolarHBondContact O-CB 3.39Å; L380-H383 PolarHBondContact O-N 3.38Å; R381-H383 PolarHBondContact O-N 3.22Å; H383-T386 PolarHBondContact O-N 3.11Å; H383-Q387 WeakPolarHBondContact ND1-CG 3.14Å; H383-Q387 VanDerWaalsContact O-CB 3.24Å; H383-Q387 WeakPolarHBondContact O-CB 3.25Å; H383-Q387 WeakPolarHBondContact O-CG 3.36Å; H383-Q387 PolarHBondContact O-N 3.4Å; H383-H388 AromaticContact CE1-NE2 3.89Å; H383-H388 AromaticContact NE2-CD2 3.95Å; H383-H388 AromaticContact NE2-NE2 3.54Å |
| 384 | K | 92.7 | Very high | 88 | Confident | 43 Ų | 43 | 86.2 Ų | 86.2 | 19% | 0.187 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 174 | -74.2 | -169.1 | 175.4 | -164.6 | 0 | 112.1 | D368 L380 R381 H388 G389 L390 | D368-K384 IonicContact OD2-NZ 2.68Å; D368-K384 PolarHBondContact OD2-NZ 2.94Å; L380-K384 HydrophobicContact CD1-CD 4.44Å; L380-K384 HydrophobicContact CD1-CG 4.19Å; L380-K384 PolarHBondContact O-N 3.2Å; R381-K384 PolarHBondContact O-N 2.82Å; K384-H388 CarbonylContact O-C 3.41Å; K384-H388 WeakPolarHBondContact O-CA 3.37Å; K384-H388 WeakPolarHBondContact O-CB 3.39Å; K384-H388 PolarHBondContact O-N 3.47Å; K384-G389 PolarHBondContact O-N 3.2Å; K384-G389 VanDerWaalsContact O-N 3.12Å; K384-L390 HydrophobicContact CB-CB 4.26Å; K384-L390 HydrophobicContact CD-CD1 4.25Å; K384-L390 PolarHBondContact O-N 3.38Å |
| 385 | E | 92 | Very high | 87.9 | Confident | 64 Ų | 64 | 88.8 Ų | 88.8 | 30% | 0.299 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 175.5 | -71.4 | 163.9 | 177.2 | 0 | 0 | 111.7 | R381 R382 G389 L390 | R381-E385 WeakPolarHBondContact CD-OE1 3.29Å; R381-E385 HydrophobicContact CG-CG 4.29Å; R381-E385 WeakPolarHBondContact CG-OE1 3.45Å; R381-E385 IonicContact CZ-OE1 2.66Å; R381-E385 IonicContact NE-OE1 3.15Å; R381-E385 IonicContact NH1-OE1 3.15Å; R381-E385 PolarHBondContact NH1-OE1 3.36Å; R381-E385 IonicContact NH1-OE2 3.36Å; R381-E385 PolarHBondContact NH1-OE2 3.43Å; R381-E385 WeakPolarHBondContact O-CG 3.3Å; R381-E385 PolarHBondContact O-N 3.31Å; R382-E385 WeakPolarHBondContact CA-OE2 3.48Å; R382-E385 PolarHBondContact O-N 2.72Å; E385-G389 WeakPolarHBondContact O-CA 3.36Å; E385-G389 PolarHBondContact O-N 3.35Å; E385-L390 WeakPolarHBondContact CA-O 3.45Å; E385-L390 VanDerWaalsContact CG-O 3.29Å; E385-L390 WeakPolarHBondContact CG-O 3.49Å; E385-L390 PolarHBondContact N-O 3.19Å |
| 386 | T | 92.8 | Very high | 87.7 | Confident | 96 Ų | 96 | 91.6 Ų | 91.6 | 59% | 0.589 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -90.2 | -20.2 | -172.8 | 62 | 0 | 0 | 0 | 0 | 115.8 | R382 H383 | R382-T386 HydrophobicContact CG-CG2 4.48Å; R382-T386 WeakPolarHBondContact O-CG2 3.42Å; R382-T386 PolarHBondContact O-N 3.22Å; R382-T386 PolarHBondContact O-OG1 3.35Å; H383-T386 PolarHBondContact O-N 3.11Å |
| 387 | Q | 87.8 | Confident | 87.5 | Confident | 123 Ų | 123 | 90 Ų | 90 | 58% | 0.575 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -112.3 | -17.7 | -177.5 | -56.9 | -69.1 | -91.7 | 0 | 0 | 113.2 | H383 | H383-Q387 WeakPolarHBondContact ND1-CG 3.14Å; H383-Q387 VanDerWaalsContact O-CB 3.24Å; H383-Q387 WeakPolarHBondContact O-CB 3.25Å; H383-Q387 WeakPolarHBondContact O-CG 3.36Å; H383-Q387 PolarHBondContact O-N 3.4Å |
| 388 | H | 88.9 | Confident | 87.1 | Confident | 63 Ų | 63 | 85.6 Ų | 85.6 | 29% | 0.292 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -130.1 | 2 | -177.9 | -56.3 | -56.7 | 0 | 0 | 0 | 113.1 | L369 C370 H383 K384 L390 | L369-H388 HydrophobicContact CD1-CB 3.53Å; L369-H388 VanDerWaalsContact CD1-CG 3.48Å; C370-H388 PolarHBondContact SG-NE2 3.34Å; C370-H388 VanDerWaalsContact SG-NE2 3.41Å; H383-H388 AromaticContact CE1-NE2 3.89Å; H383-H388 AromaticContact NE2-CD2 3.95Å; H383-H388 AromaticContact NE2-NE2 3.54Å; K384-H388 CarbonylContact O-C 3.41Å; K384-H388 WeakPolarHBondContact O-CA 3.37Å; K384-H388 WeakPolarHBondContact O-CB 3.39Å; K384-H388 PolarHBondContact O-N 3.47Å; H388-L390 HydrophobicContact CB-CD1 4.47Å; H388-L390 HydrophobicContact CB-CG 4.29Å; H388-L390 PolarHBondContact O-N 2.88Å |
| 389 | G | 81.4 | Confident | 86.8 | Confident | 60 Ų | 60 | 85.9 Ų | 85.9 | 62% | 0.619 | 42% | 0.418 | S | S | * | . | trans | 65.6 | 5.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | K384 E385 K391 | K384-G389 PolarHBondContact O-N 3.2Å; K384-G389 VanDerWaalsContact O-N 3.12Å; E385-G389 WeakPolarHBondContact O-CA 3.36Å; E385-G389 PolarHBondContact O-N 3.35Å; G389-K391 PolarHBondContact O-N 3.19Å | ||
| 390 | L | 68.8 | Low | 86.3 | Confident | 85 Ų | 85 | 90.9 Ų | 90.9 | 45% | 0.445 | 44% | 0.442 | S | S | . | . | trans | -77.5 | 111.8 | -177.7 | -68.2 | 178.9 | 0 | 0 | 0 | 110.2 | L369 K384 E385 H388 | L369-L390 HydrophobicContact CD1-CD1 3.63Å; L369-L390 HydrophobicContact CD1-CG 4.43Å; K384-L390 HydrophobicContact CB-CB 4.26Å; K384-L390 HydrophobicContact CD-CD1 4.25Å; K384-L390 PolarHBondContact O-N 3.38Å; E385-L390 WeakPolarHBondContact CA-O 3.45Å; E385-L390 VanDerWaalsContact CG-O 3.29Å; E385-L390 WeakPolarHBondContact CG-O 3.49Å; E385-L390 PolarHBondContact N-O 3.19Å; H388-L390 HydrophobicContact CB-CD1 4.47Å; H388-L390 HydrophobicContact CB-CG 4.29Å; H388-L390 PolarHBondContact O-N 2.88Å | ||
| 391 | K | 58.7 | Low | 85.7 | Confident | 255 Ų | 255 | 97.3 Ų | 97.3 | 100% | 1.109 | 47% | 0.472 | S | S | * | . | trans | -90 | 0 | 170.9 | -69.6 | -178.9 | 177.3 | 175.4 | 0 | 111.3 | G389 | G389-K391 PolarHBondContact O-N 3.19Š|
Retrieved 391 of 391 residues in 605.3 ms
(Link to these results)