| 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 | 33 | Very low | 35.8 | Very low | 235 Ų | 235 | 148.6 Ų | 148.6 | 100% | 1.158 | 78% | 0.778 | S | S | * | * | 0 | 144.3 | 0 | -75.5 | 174.8 | 166.6 | 0 | 0 | 107.3 | |||||
| 2 | C | 31.7 | Very low | 36.4 | Very low | 112 Ų | 112 | 150 Ų | 150 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | trans | 67.4 | 136.7 | -173.3 | -46.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 3 | F | 30.2 | Very low | 36.9 | Very low | 186 Ų | 186 | 152.8 Ų | 152.8 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | cis | 61.9 | 138.3 | 32.6 | -59.6 | -92.6 | 0 | 0 | 0 | 111.7 | ||||
| 4 | Q | 32.9 | Very low | 37.5 | Very low | 141 Ų | 141 | 151.9 Ų | 151.9 | 66% | 0.659 | 78% | 0.777 | S | S | * | * | cis | -160.7 | 169.4 | 1.6 | -124.3 | 163.4 | -55.4 | 0 | 0 | 107.1 | ||||
| 5 | E | 32.3 | Very low | 38.4 | Very low | 157 Ų | 157 | 150.5 Ų | 150.5 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | cis | -153.7 | -169.9 | 1.7 | -167.5 | 119.7 | -107 | 0 | 0 | 109.2 | ||||
| 6 | N | 38.2 | Very low | 39.3 | Very low | 141 Ų | 141 | 150.8 Ų | 150.8 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | trans | -73.7 | 152.1 | 174.6 | -78 | -47.3 | 0 | 0 | 0 | 114.1 | ||||
| 7 | S | 33.4 | Very low | 40 | Very low | 117 Ų | 117 | 147.5 Ų | 147.5 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -148.8 | 131 | 140.1 | 55.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 8 | F | 37.5 | Very low | 40.5 | Very low | 200 Ų | 200 | 141.7 Ų | 141.7 | 88% | 0.877 | 74% | 0.744 | S | S | * | * | trans | -92.6 | 139.3 | 171.5 | -96.9 | -108.5 | 0 | 0 | 0 | 109.4 | ||||
| 9 | Q | 37.2 | Very low | 41.2 | Very low | 161 Ų | 161 | 139.2 Ų | 139.2 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | trans | -120.3 | 128 | 163.7 | -83 | -165.1 | -16.9 | 0 | 0 | 110.8 | S11 | Q9-S11 PolarHBondContact O-N 3.29Å; Q9-S11 VanDerWaalsContact O-N 3.16Å | ||
| 10 | P | 43.8 | Very low | 41.8 | Very low | 118 Ų | 118 | 136 Ų | 136 | 77% | 0.766 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | 20.9 | -174.7 | 35 | -37.3 | 0 | 0 | 0 | 114.1 | ||
| 11 | S | 43.4 | Very low | 42.4 | Very low | 67 Ų | 67 | 133.3 Ų | 133.3 | 47% | 0.469 | 71% | 0.711 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.7 | -26.4 | -167.2 | 50 | 0 | 0 | 0 | 0 | 115.1 | Q9 | Q9-S11 PolarHBondContact O-N 3.29Å; Q9-S11 VanDerWaalsContact O-N 3.16Å |
| 12 | Q | 43.6 | Very low | 43.4 | Very low | 165 Ų | 165 | 124.7 Ų | 124.7 | 77% | 0.771 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -83.2 | -22.8 | -172.6 | -70.9 | -173 | -18.6 | 0 | 0 | 115 | L14 | Q12-L14 PolarHBondContact O-N 3.21Š|
| 13 | F | 42.9 | Very low | 44.6 | Very low | 187 Ų | 187 | 122.4 Ų | 122.4 | 82% | 0.82 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -22.1 | -179.1 | -95.8 | -85.2 | 0 | 0 | 0 | 114.4 | ||
| 14 | L | 44.6 | Very low | 46.1 | Very low | 140 Ų | 140 | 118.2 Ų | 118.2 | 73% | 0.733 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -27.1 | -179.6 | -88.8 | 161 | 0 | 0 | 0 | 113.7 | Q12 G18 | Q12-L14 PolarHBondContact O-N 3.21Å; L14-G18 PolarHBondContact O-N 3.35Å |
| 15 | L | 51.4 | Low | 47.2 | Very low | 130 Ų | 130 | 116.4 Ų | 116.4 | 68% | 0.681 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -83.3 | -24.9 | -172.4 | -77.9 | 165.6 | 0 | 0 | 0 | 114.4 | ||
| 16 | L | 52.4 | Low | 48.3 | Very low | 155 Ų | 155 | 114.1 Ų | 114.1 | 81% | 0.812 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -85.1 | -15.8 | -178.1 | -124.6 | 75.2 | 0 | 0 | 0 | 114.5 | ||
| 17 | V | 51.3 | Low | 49.3 | Very low | 95 Ų | 95 | 113 Ų | 113 | 58% | 0.576 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -114.7 | -29.7 | -175.7 | -171.7 | 0 | 0 | 0 | 0 | 112.6 | P20 V21 | V17-P20 WeakPolarHBondContact O-CD 3.43Å; V17-V21 WeakPolarHBondContact O-CG2 3.45Å |
| 18 | G | 49.3 | Very low | 50.2 | Low | 43 Ų | 43 | 109.3 Ų | 109.3 | 44% | 0.443 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66.7 | -37.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L14 A22 | L14-G18 PolarHBondContact O-N 3.35Å; G18-A22 PolarHBondContact O-N 3.16Å; G18-A22 VanDerWaalsContact O-N 3.14Å |
| 19 | V | 53.5 | Low | 50.7 | Low | 95 Ų | 95 | 105.7 Ų | 105.7 | 58% | 0.576 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61.8 | -54.7 | -175.3 | -178.3 | 0 | 0 | 0 | 0 | 113.4 | V21 A22 S23 | V19-V21 VanDerWaalsContact C-N 3.31Å; V19-V21 PolarHBondContact O-N 3.38Å; V19-A22 PolarHBondContact O-N 3.44Å; V19-S23 PolarHBondContact O-N 3.17Å; V19-S23 PolarHBondContact O-OG 2.93Å |
| 20 | P | 53.8 | Low | 51.2 | Low | 74 Ų | 74 | 101.8 Ų | 101.8 | 48% | 0.481 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.7 | -33.4 | -178.8 | 24.8 | -34.9 | 0 | 0 | 0 | 113.2 | V17 S23 V24 | V17-P20 WeakPolarHBondContact O-CD 3.43Å; P20-S23 PolarHBondContact O-N 3.15Å; P20-V24 WeakPolarHBondContact O-CG2 3.21Å; P20-V24 PolarHBondContact O-N 3.41Å; P20-V24 VanDerWaalsContact O-N 3.15Å |
| 21 | V | 54.7 | Low | 51.2 | Low | 80 Ų | 80 | 103 Ų | 103 | 49% | 0.485 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.3 | -40.3 | 178.9 | 178 | 0 | 0 | 0 | 0 | 111.1 | V17 V19 V24 L25 | V17-V21 WeakPolarHBondContact O-CG2 3.45Å; V19-V21 VanDerWaalsContact C-N 3.31Å; V19-V21 PolarHBondContact O-N 3.38Å; V21-V24 PolarHBondContact O-N 3.49Å; V21-L25 HydrophobicContact CG1-CD1 4.06Å; V21-L25 WeakPolarHBondContact O-CG 3.41Å; V21-L25 PolarHBondContact O-N 2.94Å |
| 22 | A | 52.7 | Low | 51.1 | Low | 54 Ų | 54 | 109.8 Ų | 109.8 | 45% | 0.446 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.7 | -43.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G18 V19 V24 L25 L26 | G18-A22 PolarHBondContact O-N 3.16Å; G18-A22 VanDerWaalsContact O-N 3.14Å; V19-A22 PolarHBondContact O-N 3.44Å; A22-V24 PolarHBondContact O-N 3.44Å; A22-L25 PolarHBondContact O-N 3.36Å; A22-L26 PolarHBondContact O-N 3.02Å |
| 23 | S | 58.4 | Low | 50.7 | Low | 65 Ų | 65 | 112.7 Ų | 112.7 | 46% | 0.455 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.2 | -40.4 | 177.8 | -56.8 | 0 | 0 | 0 | 0 | 113.1 | V19 P20 L27 | V19-S23 PolarHBondContact O-N 3.17Å; V19-S23 PolarHBondContact O-OG 2.93Å; P20-S23 PolarHBondContact O-N 3.15Å; S23-L27 WeakPolarHBondContact O-CG 3.42Å; S23-L27 PolarHBondContact O-N 3.4Å; S23-L27 VanDerWaalsContact O-N 3.15Å |
| 24 | V | 60.6 | Low | 50.5 | Low | 98 Ų | 98 | 111.6 Ų | 111.6 | 59% | 0.594 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68 | -40.2 | 177.3 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | P20 V21 A22 L27 A28 | P20-V24 WeakPolarHBondContact O-CG2 3.21Å; P20-V24 PolarHBondContact O-N 3.41Å; P20-V24 VanDerWaalsContact O-N 3.15Å; V21-V24 PolarHBondContact O-N 3.49Å; A22-V24 PolarHBondContact O-N 3.44Å; V24-L27 PolarHBondContact O-N 3.05Å; V24-A28 VanDerWaalsContact O-CB 3.31Å; V24-A28 WeakPolarHBondContact O-CB 3.31Å; V24-A28 PolarHBondContact O-N 3.15Å |
| 25 | L | 56.7 | Low | 49.9 | Very low | 102 Ų | 102 | 110.5 Ų | 110.5 | 53% | 0.534 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.8 | -39.5 | 176.6 | -76 | 169.2 | 0 | 0 | 0 | 112.5 | V21 A22 A28 Q29 | V21-L25 HydrophobicContact CG1-CD1 4.06Å; V21-L25 WeakPolarHBondContact O-CG 3.41Å; V21-L25 PolarHBondContact O-N 2.94Å; A22-L25 PolarHBondContact O-N 3.36Å; L25-A28 PolarHBondContact O-N 3.05Å; L25-Q29 WeakPolarHBondContact O-CG 3.49Å; L25-Q29 PolarHBondContact O-N 3.32Å |
| 26 | L | 55.9 | Low | 48.9 | Very low | 109 Ų | 109 | 110 Ų | 110 | 57% | 0.571 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.9 | -46.8 | 176.3 | -116.8 | 156 | 0 | 0 | 0 | 111.7 | A22 A28 Q29 C30 | A22-L26 PolarHBondContact O-N 3.02Å; L26-A28 VanDerWaalsContact C-N 3.34Å; L26-A28 PolarHBondContact O-N 3.14Å; L26-Q29 PolarHBondContact O-N 3.4Å; L26-C30 PolarHBondContact O-N 3.36Å; L26-C30 PolarHBondContact O-SG 3.28Å; L26-C30 VanDerWaalsContact O-SG 3.35Å |
| 27 | L | 57.3 | Low | 47.9 | Very low | 118 Ų | 118 | 114 Ų | 114 | 62% | 0.618 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -61.6 | -40.5 | 174.6 | -73 | 168.9 | 0 | 0 | 0 | 112.2 | S23 V24 Q29 C30 L31 | S23-L27 WeakPolarHBondContact O-CG 3.42Å; S23-L27 PolarHBondContact O-N 3.4Å; S23-L27 VanDerWaalsContact O-N 3.15Å; V24-L27 PolarHBondContact O-N 3.05Å; L27-Q29 VanDerWaalsContact C-N 3.31Å; L27-Q29 PolarHBondContact O-N 3.49Å; L27-C30 PolarHBondContact O-N 3.38Å; L27-L31 WeakPolarHBondContact O-CB 3.41Å; L27-L31 WeakPolarHBondContact O-CG 3.45Å; L27-L31 PolarHBondContact O-N 3.47Å |
| 28 | A | 52.4 | Low | 46.7 | Very low | 40 Ų | 40 | 121.1 Ų | 121.1 | 33% | 0.331 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -67.2 | -28.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | V24 L25 L26 R32 | V24-A28 VanDerWaalsContact O-CB 3.31Å; V24-A28 WeakPolarHBondContact O-CB 3.31Å; V24-A28 PolarHBondContact O-N 3.15Å; L25-A28 PolarHBondContact O-N 3.05Å; L26-A28 VanDerWaalsContact C-N 3.34Å; L26-A28 PolarHBondContact O-N 3.14Å; A28-R32 WeakPolarHBondContact O-CD 3.5Å; A28-R32 WeakPolarHBondContact O-CG 3.37Å; A28-R32 PolarHBondContact O-N 3.31Å |
| 29 | Q | 49.1 | Very low | 45.7 | Very low | 123 Ų | 123 | 127 Ų | 127 | 58% | 0.575 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -76.9 | -42.2 | 173 | -75.4 | 177.7 | -5.2 | 0 | 0 | 111.9 | L25 L26 L27 L31 R32 W33 | L25-Q29 WeakPolarHBondContact O-CG 3.49Å; L25-Q29 PolarHBondContact O-N 3.32Å; L26-Q29 PolarHBondContact O-N 3.4Å; L27-Q29 VanDerWaalsContact C-N 3.31Å; L27-Q29 PolarHBondContact O-N 3.49Å; Q29-L31 VanDerWaalsContact C-N 3.32Å; Q29-L31 PolarHBondContact O-N 2.83Å; Q29-R32 PolarHBondContact O-N 3.17Å; Q29-W33 PolarHBondContact O-N 3.02Å; Q29-W33 VanDerWaalsContact O-N 3.17Å |
| 30 | C | 46.7 | Very low | 44.4 | Very low | 79 Ų | 79 | 131 Ų | 131 | 53% | 0.534 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -58.8 | -42.7 | 173.6 | -66.6 | 0 | 0 | 0 | 0 | 112 | L26 L27 R32 W33 | L26-C30 PolarHBondContact O-N 3.36Å; L26-C30 PolarHBondContact O-SG 3.28Å; L26-C30 VanDerWaalsContact O-SG 3.35Å; L27-C30 PolarHBondContact O-N 3.38Å; C30-R32 PolarHBondContact O-N 3.3Å; C30-W33 PolarHBondContact O-N 3.38Å |
| 31 | L | 45.1 | Very low | 43 | Very low | 143 Ų | 143 | 131 Ų | 131 | 75% | 0.749 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -69.5 | -13.3 | 175.2 | -71.8 | 170.2 | 0 | 0 | 0 | 114.2 | L27 Q29 | L27-L31 WeakPolarHBondContact O-CB 3.41Å; L27-L31 WeakPolarHBondContact O-CG 3.45Å; L27-L31 PolarHBondContact O-N 3.47Å; Q29-L31 VanDerWaalsContact C-N 3.32Å; Q29-L31 PolarHBondContact O-N 2.83Å |
| 32 | R | 41.7 | Very low | 41.5 | Very low | 210 Ų | 210 | 132 Ų | 132 | 79% | 0.792 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -97.3 | -10.6 | 175.3 | -76.7 | 174.7 | -178.8 | -151.6 | 0.8 | 113.9 | A28 Q29 C30 | A28-R32 WeakPolarHBondContact O-CD 3.5Å; A28-R32 WeakPolarHBondContact O-CG 3.37Å; A28-R32 PolarHBondContact O-N 3.31Å; Q29-R32 PolarHBondContact O-N 3.17Å; C30-R32 PolarHBondContact O-N 3.3Å |
| 33 | W | 35.4 | Very low | 40 | Very low | 227 Ų | 227 | 134.9 Ų | 134.9 | 86% | 0.86 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -94.6 | -21.6 | -180 | -142.9 | -75.3 | 0 | 0 | 0 | 113.5 | Q29 C30 | Q29-W33 PolarHBondContact O-N 3.02Å; Q29-W33 VanDerWaalsContact O-N 3.17Å; C30-W33 PolarHBondContact O-N 3.38Å |
| 34 | H | 38 | Very low | 38.4 | Very low | 163 Ų | 163 | 143.4 Ų | 143.4 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -88.3 | 125.3 | 168.4 | -94.7 | -69.3 | 0 | 0 | 0 | 111.4 | ||
| 35 | C | 30.8 | Very low | 36.7 | Very low | 118 Ų | 118 | 147.3 Ų | 147.3 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | trans | 75.6 | 114 | -178.5 | -57 | 0 | 0 | 0 | 0 | 116 | ||||
| 36 | P | 30.7 | Very low | 35.1 | Very low | 118 Ų | 118 | 150 Ų | 150 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | -126.2 | 152.2 | 121.9 | 37.1 | -32.4 | 0 | 0 | 0 | 113.5 | |||||
| 37 | R | 31.2 | Very low | 33.5 | Very low | 241 Ų | 241 | 152.2 Ų | 152.2 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | trans | 74.9 | 67.2 | 166 | -56.1 | -174.8 | -177.9 | -152 | -2 | 119.2 | ||||
| 38 | R | 26 | Very low | 31.9 | Very low | 244 Ų | 244 | 149.9 Ų | 149.9 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | -99.9 | 128.8 | 108.9 | -100.1 | -171.8 | 172.9 | -170.7 | -1.4 | 107.6 | |||||
| 39 | L | 29.1 | Very low | 30.5 | Very low | 165 Ų | 165 | 157.6 Ų | 157.6 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | 152.9 | 96.3 | 151.1 | -88.4 | 165.4 | 0 | 0 | 0 | 111.8 | ||||
| 40 | L | 26.8 | Very low | 29.5 | Very low | 181 Ų | 181 | 161 Ų | 161 | 95% | 0.948 | 82% | 0.823 | S | S | * | * | trans | -179 | 141.3 | 130.1 | -120.2 | 71.5 | 0 | 0 | 0 | 107 | ||||
| 41 | G | 23.3 | Very low | 28.4 | Very low | 72 Ų | 72 | 166.2 Ų | 166.2 | 74% | 0.742 | 84% | 0.839 | S | S | * | * | cis | -148.6 | 174.2 | -6.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 42 | A | 23.9 | Very low | 27.5 | Very low | 102 Ų | 102 | 164.5 Ų | 164.5 | 84% | 0.843 | 84% | 0.837 | S | S | * | * | trans | -101.4 | 124.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 43 | C | 22.1 | Very low | 27.3 | Very low | 114 Ų | 114 | 161.7 Ų | 161.7 | 77% | 0.77 | 84% | 0.843 | S | S | * | * | trans | -167.7 | 131.3 | 162.1 | -92.5 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 44 | W | 24.2 | Very low | 26.8 | Very low | 245 Ų | 245 | 155.9 Ų | 155.9 | 93% | 0.928 | 84% | 0.837 | S | S | * | * | cis | -128.8 | 165 | 1.6 | -66 | -43 | 0 | 0 | 0 | 111.9 | ||||
| 45 | M | 23.8 | Very low | 26.4 | Very low | 179 Ų | 179 | 156.8 Ų | 156.8 | 88% | 0.882 | 84% | 0.841 | S | S | * | * | trans | -115 | 131.9 | 161 | -95 | -86.6 | -73 | 0 | 0 | 107.9 | ||||
| 46 | L | 23.2 | Very low | 26.2 | Very low | 158 Ų | 158 | 157.2 Ų | 157.2 | 83% | 0.827 | 84% | 0.843 | S | S | * | * | trans | -155.2 | 135.6 | 155.3 | -144.2 | 77.7 | 0 | 0 | 0 | 111 | ||||
| 47 | N | 23.1 | Very low | 26.2 | Very low | 157 Ų | 157 | 157.5 Ų | 157.5 | 84% | 0.84 | 84% | 0.843 | S | S | * | * | trans | 2.1 | 142.9 | 169.2 | -56 | -6.8 | 0 | 0 | 0 | 120.9 | ||||
| 48 | G | 23.3 | Very low | 26.1 | Very low | 68 Ų | 68 | 151.4 Ų | 151.4 | 70% | 0.701 | 83% | 0.834 | S | S | * | * | cis | 158.9 | -164.3 | -1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 49 | Q | 23.3 | Very low | 26.3 | Very low | 203 Ų | 203 | 145.2 Ų | 145.2 | 95% | 0.949 | 83% | 0.826 | S | S | * | * | trans | 66 | 119.7 | 180 | -71.6 | -178.7 | -106.8 | 0 | 0 | 117.7 | ||||
| 50 | E | 27.4 | Very low | 26.3 | Very low | 195 Ų | 195 | 143.3 Ų | 143.3 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | trans | -91.5 | 132.7 | 160.2 | -61.4 | 170.6 | 105.1 | 0 | 0 | 109.2 | ||||
| 51 | E | 24 | Very low | 26.8 | Very low | 187 Ų | 187 | 143.5 Ų | 143.5 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -162.2 | 171.8 | 149.1 | -124.7 | -168.9 | -157.5 | 0 | 0 | 109.9 | ||||
| 52 | P | 27.4 | Very low | 27.6 | Very low | 108 Ų | 108 | 147 Ų | 147 | 70% | 0.701 | 82% | 0.821 | S | S | * | * | -103.1 | 174.6 | -102 | 39.4 | -35.4 | 0 | 0 | 0 | 115.2 | S54 | P52-S54 PolarHBondContact O-N 3.41Š| |||
| 53 | V | 37.3 | Very low | 27.7 | Very low | 151 Ų | 151 | 150.7 Ų | 150.7 | 92% | 0.915 | 82% | 0.821 | S | S | * | * | trans | -57.2 | 119.8 | -178.3 | 179.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 54 | S | 25 | Very low | 28.1 | Very low | 105 Ų | 105 | 151.5 Ų | 151.5 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | trans | -106.3 | 146.6 | 165.4 | 57.2 | 0 | 0 | 0 | 0 | 111.1 | P52 | P52-S54 PolarHBondContact O-N 3.41Š| ||
| 55 | Q | 29.1 | Very low | 28.1 | Very low | 181 Ų | 181 | 144.2 Ų | 144.2 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | -71.8 | 145.1 | -177.3 | -65.2 | 171.9 | -15.5 | 0 | 0 | 111.4 | T57 | Q55-T57 PolarHBondContact O-N 3.07Š| ||
| 56 | P | 26.9 | Very low | 28.4 | Very low | 127 Ų | 127 | 146.6 Ų | 146.6 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -73.2 | 110.9 | 174.7 | 29.4 | -33.1 | 0 | 0 | 0 | 111.1 | ||||
| 57 | T | 30 | Very low | 28.9 | Very low | 125 Ų | 125 | 146.9 Ų | 146.9 | 77% | 0.767 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 138.2 | 164.1 | -45.7 | 0 | 0 | 0 | 0 | 109.6 | Q55 | Q55-T57 PolarHBondContact O-N 3.07Š|
| 58 | P | 28.6 | Very low | 29.6 | Very low | 112 Ų | 112 | 145.4 Ų | 145.4 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 137.3 | -179.9 | 25.9 | -34.9 | 0 | 0 | 0 | 111.9 | ||
| 59 | P | 31.5 | Very low | 30.1 | Very low | 115 Ų | 115 | 148.2 Ų | 148.2 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 154.9 | 168.3 | 31.2 | -34.4 | 0 | 0 | 0 | 110.8 | ||
| 60 | P | 27.4 | Very low | 31.4 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 152.4 | -173.1 | 30 | -36.1 | 0 | 0 | 0 | 113.5 | N62 | P60-N62 PolarHBondContact O-N 2.78Å; P60-N62 VanDerWaalsContact O-N 3.16Å |
| 61 | E | 38.4 | Very low | 32.9 | Very low | 186 Ų | 186 | 134.1 Ų | 134.1 | 87% | 0.869 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -69.2 | 104.7 | 171.2 | -60.8 | 177.3 | 129.7 | 0 | 0 | 110.5 | ||
| 62 | N | 40.4 | Very low | 35.2 | Very low | 144 Ų | 144 | 128.1 Ų | 128.1 | 77% | 0.77 | 71% | 0.71 | S | S | * | * | trans | 170 | 94.6 | 136.4 | -95 | -64.4 | 0 | 0 | 0 | 112 | P60 | P60-N62 PolarHBondContact O-N 2.78Å; P60-N62 VanDerWaalsContact O-N 3.16Å | ||
| 63 | E | 25.2 | Very low | 37.5 | Very low | 181 Ų | 181 | 129.9 Ų | 129.9 | 85% | 0.846 | 71% | 0.713 | S | S | * | * | trans | -137.3 | 115.7 | 146.6 | -79.3 | -156.8 | 146.2 | 0 | 0 | 109.3 | S65 | E63-S65 PolarHBondContact O-N 2.81Š| ||
| 64 | V | 31.4 | Very low | 39.7 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 79% | 0.788 | 70% | 0.699 | S | S | * | * | trans | -79.9 | 75.1 | -178 | -175.7 | 0 | 0 | 0 | 0 | 109.7 | R66 | V64-R66 PolarHBondContact O-N 3.4Š| ||
| 65 | S | 24.2 | Very low | 42.4 | Very low | 93 Ų | 93 | 127.1 Ų | 127.1 | 65% | 0.65 | 69% | 0.687 | S | S | * | * | trans | -59 | 105.8 | 168.6 | -76.8 | 0 | 0 | 0 | 0 | 110 | E63 Q67 | E63-S65 PolarHBondContact O-N 2.81Å; S65-Q67 PolarHBondContact O-N 3.4Å | ||
| 66 | R | 30.1 | Very low | 45.1 | Very low | 229 Ų | 229 | 121.4 Ų | 121.4 | 86% | 0.864 | 66% | 0.661 | S | S | * | * | trans | -68.5 | 84.3 | 167.3 | -80 | -173.1 | 175.7 | 171.4 | -0.6 | 109.9 | V64 | V64-R66 PolarHBondContact O-N 3.4Š| ||
| 67 | Q | 32.8 | Very low | 47.8 | Very low | 163 Ų | 163 | 117.4 Ų | 117.4 | 76% | 0.762 | 64% | 0.638 | S | S | * | * | trans | -53.4 | 138.9 | 156.5 | -62.6 | 173.7 | -2.5 | 0 | 0 | 108.2 | S65 L69 | S65-Q67 PolarHBondContact O-N 3.4Å; Q67-L69 PolarHBondContact O-N 2.95Å; Q67-L69 VanDerWaalsContact O-N 3.17Å | ||
| 68 | H | 37.8 | Very low | 50.6 | Low | 127 Ų | 127 | 114 Ų | 114 | 59% | 0.588 | 62% | 0.623 | S | S | * | * | trans | -45.6 | 122.7 | 179.5 | -58.7 | 86.4 | 0 | 0 | 0 | 110.3 | P70 H436 | H68-P70 WeakPolarHBondContact O-CD 3.4Å; H68-H436 AromaticContact NE2-CD2 3.57Å; H68-H436 AromaticContact NE2-NE2 3.58Å | ||
| 69 | L | 33.8 | Very low | 53.4 | Low | 127 Ų | 127 | 109.1 Ų | 109.1 | 67% | 0.665 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -59 | 126.2 | -172.7 | -111.4 | 73.8 | 0 | 0 | 0 | 110.2 | Q67 | Q67-L69 PolarHBondContact O-N 2.95Å; Q67-L69 VanDerWaalsContact O-N 3.17Å |
| 70 | P | 50.5 | Low | 56.1 | Low | 91 Ų | 91 | 106.8 Ų | 106.8 | 59% | 0.591 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 155.4 | 157.5 | -20.3 | 33.2 | 0 | 0 | 0 | 109.4 | H68 T72 | H68-P70 WeakPolarHBondContact O-CD 3.4Å; P70-T72 PolarHBondContact O-N 2.79Å |
| 71 | A | 58.9 | Low | 59 | Low | 10 Ų | 10 | 107.4 Ų | 107.4 | 8% | 0.083 | 56% | 0.559 | C | S | . | * | P | Polyproline II helix | trans | -50.8 | 132.3 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | E75 M76 L96 M97 | A71-E75 HydrophobicContact CB-CB 4.47Å; A71-M76 HydrophobicContact CB-CG 3.63Å; A71-M76 HydrophobicContact CB-SD 4.47Å; A71-L96 HydrophobicContact CB-CD1 4.15Å; A71-L96 HydrophobicContact CB-CG 4.43Å; A71-M97 HydrophobicContact CB-CG 3.51Å; A71-M97 HydrophobicContact CB-SD 3.88Å; A71-M97 PolarHBondContact N-SD 3.35Å; A71-M97 VanDerWaalsContact N-SD 3.42Å |
| 72 | T | 72.4 | Confident | 61.4 | Low | 61 Ų | 61 | 101.3 Ų | 101.3 | 37% | 0.374 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 148 | -178.3 | 65.3 | 0 | 0 | 0 | 0 | 108.9 | P70 P74 E75 M76 | P70-T72 PolarHBondContact O-N 2.79Å; T72-P74 VanDerWaalsContact O-N 3.13Å; T72-E75 VanDerWaalsContact CB-OE2 3.28Å; T72-E75 WeakPolarHBondContact CB-OE2 3.27Å; T72-E75 WeakPolarHBondContact CG2-OE2 3.41Å; T72-E75 PolarHBondContact N-OE2 3.17Å; T72-E75 WeakPolarHBondContact O-CA 3.01Å; T72-E75 WeakPolarHBondContact O-CB 3.42Å; T72-E75 PolarHBondContact O-N 3.18Å; T72-E75 VanDerWaalsContact OG1-CG 3.27Å; T72-E75 WeakPolarHBondContact OG1-CG 3.27Å; T72-E75 PolarHBondContact OG1-OE2 2.83Å; T72-M76 PolarHBondContact O-N 3.5Å |
| 73 | L | 76.3 | Confident | 63.6 | Low | 146 Ų | 146 | 94.8 Ų | 94.8 | 76% | 0.764 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -54 | -35 | -177.1 | -158.2 | 152.9 | 0 | 0 | 0 | 112.7 | A77 | L73-A77 WeakPolarHBondContact O-CB 3.31Å; L73-A77 PolarHBondContact O-N 3.48Å |
| 74 | P | 82.3 | Confident | 66.5 | Low | 94 Ų | 94 | 89.2 Ų | 89.2 | 61% | 0.61 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.1 | -42.6 | 167.9 | -24.7 | 36.5 | 0 | 0 | 0 | 115.3 | T72 A77 A78 | T72-P74 VanDerWaalsContact O-N 3.13Å; P74-A77 PolarHBondContact O-N 3.16Å; P74-A78 WeakPolarHBondContact O-CB 3.11Å; P74-A78 PolarHBondContact O-N 3.41Å |
| 75 | E | 83.3 | Confident | 69.3 | Low | 104 Ų | 104 | 86.9 Ų | 86.9 | 49% | 0.486 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 177.5 | -71 | 163.1 | 136.7 | 0 | 0 | 111.6 | A71 T72 A77 A78 F79 | A71-E75 HydrophobicContact CB-CB 4.47Å; T72-E75 VanDerWaalsContact CB-OE2 3.28Å; T72-E75 WeakPolarHBondContact CB-OE2 3.27Å; T72-E75 WeakPolarHBondContact CG2-OE2 3.41Å; T72-E75 PolarHBondContact N-OE2 3.17Å; T72-E75 WeakPolarHBondContact O-CA 3.01Å; T72-E75 WeakPolarHBondContact O-CB 3.42Å; T72-E75 PolarHBondContact O-N 3.18Å; T72-E75 VanDerWaalsContact OG1-CG 3.27Å; T72-E75 WeakPolarHBondContact OG1-CG 3.27Å; T72-E75 PolarHBondContact OG1-OE2 2.83Å; E75-A77 VanDerWaalsContact C-N 3.33Å; E75-A77 PolarHBondContact O-N 2.96Å; E75-A78 PolarHBondContact O-N 3.27Å; E75-F79 WeakPolarHBondContact O-CB 3.17Å; E75-F79 PolarHBondContact O-N 2.91Å |
| 76 | M | 84.6 | Confident | 72.4 | Confident | 61 Ų | 61 | 84.5 Ų | 84.5 | 30% | 0.3 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 173.1 | -64.3 | 179.7 | 74.6 | 0 | 0 | 111.1 | A71 T72 F79 Y80 L201 | A71-M76 HydrophobicContact CB-CG 3.63Å; A71-M76 HydrophobicContact CB-SD 4.47Å; T72-M76 PolarHBondContact O-N 3.5Å; M76-F79 PolarHBondContact O-N 3.24Å; M76-Y80 VanDerWaalsContact O-CD2 3.23Å; M76-Y80 WeakPolarHBondContact O-CD2 3.2Å; M76-Y80 PolarHBondContact O-N 3.12Å; M76-L201 HydrophobicContact CE-CB 4.24Å; M76-L201 HydrophobicContact CE-CD1 3.65Å; M76-L201 HydrophobicContact CG-CD1 4.36Å |
| 77 | A | 84.9 | Confident | 75.2 | Confident | 42 Ų | 42 | 74 Ų | 74 | 35% | 0.347 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L73 P74 E75 Y80 Q81 | L73-A77 WeakPolarHBondContact O-CB 3.31Å; L73-A77 PolarHBondContact O-N 3.48Å; P74-A77 PolarHBondContact O-N 3.16Å; E75-A77 VanDerWaalsContact C-N 3.33Å; E75-A77 PolarHBondContact O-N 2.96Å; A77-Y80 PolarHBondContact O-N 3.28Å; A77-Q81 WeakPolarHBondContact O-CG 3.44Å; A77-Q81 PolarHBondContact O-N 2.99Å |
| 78 | A | 87.3 | Confident | 77.8 | Confident | 53 Ų | 53 | 75.3 Ų | 75.3 | 44% | 0.438 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64 | -44.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | P74 E75 Y80 Q81 E82 | P74-A78 WeakPolarHBondContact O-CB 3.11Å; P74-A78 PolarHBondContact O-N 3.41Å; E75-A78 PolarHBondContact O-N 3.27Å; A78-Y80 PolarHBondContact O-N 3.09Å; A78-Q81 WeakPolarHBondContact O-CB 3.49Å; A78-Q81 PolarHBondContact O-N 2.89Å; A78-Q81 VanDerWaalsContact O-N 3.15Å; A78-E82 PolarHBondContact O-N 3.27Å |
| 79 | F | 88.6 | Confident | 79.7 | Confident | 10 Ų | 10 | 72 Ų | 72 | 4% | 0.044 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 173.6 | 172.7 | -100.6 | 0 | 0 | 0 | 112 | E75 M76 Q81 E82 L83 R94 L96 L101 F103 L200 | E75-F79 WeakPolarHBondContact O-CB 3.17Å; E75-F79 PolarHBondContact O-N 2.91Å; M76-F79 PolarHBondContact O-N 3.24Å; F79-Q81 VanDerWaalsContact C-N 3.32Å; F79-Q81 PolarHBondContact O-N 3Å; F79-E82 PolarHBondContact O-N 2.86Å; F79-L83 HydrophobicContact CE1-CD2 4.09Å; F79-L83 HydrophobicContact CZ-CD2 4.34Å; F79-L83 WeakPolarHBondContact O-CB 3.25Å; F79-L83 PolarHBondContact O-N 2.85Å; F79-R94 HydrophobicContact CE2-CB 4.32Å; F79-L96 HydrophobicContact CB-CD1 4.16Å; F79-L96 HydrophobicContact CB-CD2 4.06Å; F79-L96 HydrophobicContact CD1-CD2 3.66Å; F79-L96 HydrophobicContact CD2-CD2 4.38Å; F79-L96 HydrophobicContact CE1-CD2 4.24Å; F79-L96 HydrophobicContact CG-CD2 3.75Å; F79-L101 HydrophobicContact CE1-CD1 4.07Å; F79-L101 HydrophobicContact CE2-CD1 3.99Å; F79-L101 HydrophobicContact CZ-CD1 3.47Å; F79-L101 VanDerWaalsContact CZ-CD1 3.47Å; F79-F103 HydrophobicContact CE2-CE1 4.09Å; F79-L200 HydrophobicContact CE1-CD2 3.99Å; F79-L200 HydrophobicContact CZ-CD2 4.27Å |
| 80 | Y | 88.5 | Confident | 82.3 | Confident | 67 Ų | 67 | 71.9 Ų | 71.9 | 26% | 0.263 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.4 | -32.1 | 174.5 | -83.7 | -62.8 | 0 | 0 | 0 | 112.7 | M76 A77 A78 L83 H84 L201 | M76-Y80 VanDerWaalsContact O-CD2 3.23Å; M76-Y80 WeakPolarHBondContact O-CD2 3.2Å; M76-Y80 PolarHBondContact O-N 3.12Å; A77-Y80 PolarHBondContact O-N 3.28Å; A78-Y80 PolarHBondContact O-N 3.09Å; Y80-L83 HydrophobicContact CD1-CD2 4.11Å; Y80-L83 HydrophobicContact CE1-CD2 4.21Å; Y80-H84 PolarHBondContact O-N 3.06Å; Y80-H84 PolarHBondContact O-ND1 3.39Å; Y80-L201 HydrophobicContact CE2-CD1 3.78Å; Y80-L201 HydrophobicContact CE2-CG 4.37Å |
| 81 | Q | 87.1 | Confident | 84.2 | Confident | 136 Ų | 136 | 70 Ų | 70 | 64% | 0.636 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -65.6 | -42.9 | 171.7 | -72.4 | 171.5 | 11.6 | 0 | 0 | 111.5 | A77 A78 F79 H84 T85 | A77-Q81 WeakPolarHBondContact O-CG 3.44Å; A77-Q81 PolarHBondContact O-N 2.99Å; A78-Q81 WeakPolarHBondContact O-CB 3.49Å; A78-Q81 PolarHBondContact O-N 2.89Å; A78-Q81 VanDerWaalsContact O-N 3.15Å; F79-Q81 VanDerWaalsContact C-N 3.32Å; F79-Q81 PolarHBondContact O-N 3Å; Q81-H84 PolarHBondContact O-N 3.34Å; Q81-T85 PolarHBondContact O-N 3.16Å; Q81-T85 PolarHBondContact O-OG1 3.01Å |
| 82 | E | 89.2 | Confident | 85.8 | Confident | 59 Ų | 59 | 71.7 Ų | 71.7 | 28% | 0.276 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 174.4 | -166.6 | 179.2 | -147.8 | 0 | 0 | 111.9 | A78 F79 H84 T85 R94 F103 | A78-E82 PolarHBondContact O-N 3.27Å; F79-E82 PolarHBondContact O-N 2.86Å; E82-H84 PolarHBondContact O-N 3.29Å; E82-T85 WeakPolarHBondContact O-CB 3.36Å; E82-T85 PolarHBondContact O-N 3.17Å; E82-R94 VanDerWaalsContact CD-NE 3.28Å; E82-R94 IonicContact OE1-CZ 2.7Å; E82-R94 IonicContact OE1-NE 2.73Å; E82-R94 PolarHBondContact OE1-NE 3.1Å; E82-R94 IonicContact OE1-NH2 3.01Å; E82-R94 PolarHBondContact OE1-NH2 2.84Å; E82-R94 WeakPolarHBondContact OE2-CD 3.15Å; E82-R94 WeakPolarHBondContact OE2-CG 3.43Å; E82-R94 IonicContact OE2-CZ 3.27Å; E82-R94 IonicContact OE2-NE 2.82Å; E82-R94 PolarHBondContact OE2-NE 2.88Å; E82-F103 HydrophobicContact CG-CZ 4.04Å |
| 83 | L | 87.4 | Confident | 86.6 | Confident | 7 Ų | 7 | 72 Ų | 72 | 4% | 0.037 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.9 | -25.9 | 178.9 | -173.6 | 63.3 | 0 | 0 | 0 | 113.5 | F79 Y80 F103 A105 I142 L200 | F79-L83 HydrophobicContact CE1-CD2 4.09Å; F79-L83 HydrophobicContact CZ-CD2 4.34Å; F79-L83 WeakPolarHBondContact O-CB 3.25Å; F79-L83 PolarHBondContact O-N 2.85Å; Y80-L83 HydrophobicContact CD1-CD2 4.11Å; Y80-L83 HydrophobicContact CE1-CD2 4.21Å; L83-F103 HydrophobicContact CD1-CB 4.13Å; L83-F103 HydrophobicContact CD1-CD1 4.43Å; L83-F103 HydrophobicContact CD1-CD2 3.66Å; L83-F103 HydrophobicContact CD1-CE2 4.12Å; L83-F103 HydrophobicContact CD1-CG 3.84Å; L83-A105 WeakPolarHBondContact O-CB 3.48Å; L83-I142 HydrophobicContact CD1-CD1 4.11Å; L83-I142 HydrophobicContact CD1-CG1 3.71Å; L83-I142 HydrophobicContact CD2-CD1 4.48Å; L83-L200 HydrophobicContact CD2-CD2 3.87Å |
| 84 | H | 85.1 | Confident | 87.2 | Confident | 64 Ų | 64 | 69.5 Ų | 69.5 | 30% | 0.296 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -0.1 | 172.6 | -63.7 | 117.4 | 0 | 0 | 0 | 113.5 | Y80 Q81 E82 R138 | Y80-H84 PolarHBondContact O-N 3.06Å; Y80-H84 PolarHBondContact O-ND1 3.39Å; Q81-H84 PolarHBondContact O-N 3.34Å; E82-H84 PolarHBondContact O-N 3.29Å; H84-R138 WeakPolarHBondContact O-CD 3.26Å |
| 85 | T | 89.6 | Confident | 87.3 | Confident | 81 Ų | 81 | 72 Ų | 72 | 50% | 0.497 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -92.5 | 121.5 | -179.7 | -64.1 | 0 | 0 | 0 | 0 | 109.7 | Q81 E82 T87 | Q81-T85 PolarHBondContact O-N 3.16Å; Q81-T85 PolarHBondContact O-OG1 3.01Å; E82-T85 WeakPolarHBondContact O-CB 3.36Å; E82-T85 PolarHBondContact O-N 3.17Å; T85-T87 PolarHBondContact O-N 3.31Å |
| 86 | P | 90.2 | Very high | 87.2 | Confident | 42 Ų | 42 | 68 Ų | 68 | 27% | 0.273 | 36% | 0.363 | S | S | . | . | trans | -61 | 119.9 | -175.3 | -26.3 | 36.2 | 0 | 0 | 0 | 113.1 | Q88 A105 E107 | P86-Q88 PolarHBondContact O-N 2.95Å; P86-Q88 VanDerWaalsContact O-N 3.1Å; P86-A105 CarbonylContact C-O 3.56Å; P86-A105 WeakPolarHBondContact CA-O 3.26Å; P86-E107 HydrophobicContact CG-CG 3.9Å | ||
| 87 | T | 89.5 | Confident | 86.9 | Confident | 10 Ų | 10 | 69.2 Ų | 69.2 | 6% | 0.061 | 37% | 0.369 | C | S | . | . | trans | -79.6 | 10.8 | -175.6 | 65.7 | 0 | 0 | 0 | 0 | 113.5 | T85 G89 Q90 M92 F103 S104 A105 | T85-T87 PolarHBondContact O-N 3.31Å; T87-G89 PolarHBondContact O-N 3.36Å; T87-Q90 WeakPolarHBondContact CB-O 3.34Å; T87-Q90 VanDerWaalsContact O-CB 3.29Å; T87-Q90 WeakPolarHBondContact O-CB 3.43Å; T87-Q90 PolarHBondContact O-N 3.37Å; T87-Q90 PolarHBondContact OG1-O 3.48Å; T87-M92 HydrophobicContact CG2-CE 4.33Å; T87-M92 HydrophobicContact CG2-CG 3.65Å; T87-F103 HydrophobicContact CG2-CD2 4.38Å; T87-F103 HydrophobicContact CG2-CE2 4.11Å; T87-S104 PolarHBondContact OG1-OG 3.1Å; T87-A105 HydrophobicContact CG2-CB 4.21Å; T87-A105 PolarHBondContact N-O 3.26Å; T87-A105 PolarHBondContact OG1-N 2.78Å; T87-A105 PolarHBondContact OG1-O 2.78Å | ||
| 88 | Q | 86.1 | Confident | 86.1 | Confident | 189 Ų | 189 | 72.7 Ų | 72.7 | 88% | 0.883 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 23 | -179 | -54.1 | -172.3 | 9.9 | 0 | 0 | 114.8 | P86 | P86-Q88 PolarHBondContact O-N 2.95Å; P86-Q88 VanDerWaalsContact O-N 3.1Å |
| 89 | G | 79.2 | Confident | 85.8 | Confident | 58 Ų | 58 | 71 Ų | 71 | 60% | 0.598 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.7 | -2.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | T87 | T87-G89 PolarHBondContact O-N 3.36Š|
| 90 | Q | 87.6 | Confident | 85.7 | Confident | 125 Ų | 125 | 72.9 Ų | 72.9 | 58% | 0.584 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 155.4 | 168.5 | -59.3 | -178.7 | -13.2 | 0 | 0 | 110.9 | T87 S104 | T87-Q90 WeakPolarHBondContact CB-O 3.34Å; T87-Q90 VanDerWaalsContact O-CB 3.29Å; T87-Q90 WeakPolarHBondContact O-CB 3.43Å; T87-Q90 PolarHBondContact O-N 3.37Å; T87-Q90 PolarHBondContact OG1-O 3.48Å; Q90-S104 PolarHBondContact O-OG 3.27Å |
| 91 | T | 91.1 | Very high | 85.8 | Confident | 52 Ų | 52 | 69.7 Ų | 69.7 | 32% | 0.319 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -99 | 125.2 | 169.3 | -64.5 | 0 | 0 | 0 | 0 | 108.8 | V102 F103 L117 | T91-V102 HydrophobicContact CG2-CG1 3.34Å; T91-F103 WeakPolarHBondContact CA-O 3.33Å; T91-L117 HydrophobicContact CG2-CD2 3.98Å |
| 92 | M | 91.3 | Very high | 86.2 | Confident | 44 Ų | 44 | 63.8 Ų | 63.8 | 22% | 0.217 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 142.2 | 175.9 | -64.8 | -62.4 | 175.9 | 0 | 0 | 110.2 | T87 V102 F103 | T87-M92 HydrophobicContact CG2-CE 4.33Å; T87-M92 HydrophobicContact CG2-CG 3.65Å; M92-V102 CarbonylContact O-C 3.53Å; M92-V102 WeakPolarHBondContact O-CA 3.47Å; M92-F103 HydrophobicContact CB-CD1 4.16Å; M92-F103 HydrophobicContact CB-CD2 4.29Å; M92-F103 HydrophobicContact CB-CE1 3.79Å; M92-F103 HydrophobicContact CB-CE2 3.93Å; M92-F103 HydrophobicContact CB-CG 4.4Å; M92-F103 HydrophobicContact CB-CZ 3.67Å; M92-F103 HydrophobicContact CG-CE2 4.19Å; M92-F103 HydrophobicContact CG-CZ 4.2Å; M92-F103 PolarHBondContact N-O 3.34Å; M92-F103 PolarHBondContact O-N 2.92Å |
| 93 | V | 90.1 | Very high | 86.5 | Confident | 67 Ų | 67 | 61 Ų | 61 | 41% | 0.406 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 128 | 170.6 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | L100 L101 V102 | V93-L100 HydrophobicContact CG1-CD1 3.83Å; V93-L100 HydrophobicContact CG1-CG 4.39Å; V93-L101 WeakPolarHBondContact CA-O 3.39Å; V93-V102 HydrophobicContact CG1-CG2 4.35Å; V93-V102 HydrophobicContact CG2-CG1 4.39Å; V93-V102 HydrophobicContact CG2-CG2 4.22Å |
| 94 | R | 88.2 | Confident | 86.9 | Confident | 94 Ų | 94 | 60.9 Ų | 60.9 | 36% | 0.355 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 136.3 | 178.4 | -67.4 | -65.9 | 175 | -105.2 | 4 | 110.9 | F79 E82 L101 F103 | F79-R94 HydrophobicContact CE2-CB 4.32Å; E82-R94 VanDerWaalsContact CD-NE 3.28Å; E82-R94 IonicContact OE1-CZ 2.7Å; E82-R94 IonicContact OE1-NE 2.73Å; E82-R94 PolarHBondContact OE1-NE 3.1Å; E82-R94 IonicContact OE1-NH2 3.01Å; E82-R94 PolarHBondContact OE1-NH2 2.84Å; E82-R94 WeakPolarHBondContact OE2-CD 3.15Å; E82-R94 WeakPolarHBondContact OE2-CG 3.43Å; E82-R94 IonicContact OE2-CZ 3.27Å; E82-R94 IonicContact OE2-NE 2.82Å; E82-R94 PolarHBondContact OE2-NE 2.88Å; R94-L101 PolarHBondContact N-O 2.93Å; R94-L101 PolarHBondContact O-N 2.81Å; R94-F103 HydrophobicContact CB-CE1 4.24Å; R94-F103 HydrophobicContact CG-CE1 3.71Å; R94-F103 HydrophobicContact CG-CZ 4.32Å |
| 95 | Q | 84.3 | Confident | 87.4 | Confident | 148 Ų | 148 | 58 Ų | 58 | 69% | 0.692 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 127.3 | 164.5 | -174.8 | 171.7 | -16.1 | 0 | 0 | 108.4 | M97 K99 L100 | Q95-M97 WeakPolarHBondContact CG-O 3.4Å; Q95-M97 PolarHBondContact NE2-O 3.42Å; Q95-K99 WeakPolarHBondContact CA-O 3.41Å; Q95-L100 HydrophobicContact CB-CD1 4.03Å |
| 96 | L | 81.3 | Confident | 87.6 | Confident | 19 Ų | 19 | 59.8 Ų | 59.8 | 10% | 0.099 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 119.3 | 172.4 | -175.2 | 73.2 | 0 | 0 | 0 | 107.9 | A71 F79 H98 K99 L201 | A71-L96 HydrophobicContact CB-CD1 4.15Å; A71-L96 HydrophobicContact CB-CG 4.43Å; F79-L96 HydrophobicContact CB-CD1 4.16Å; F79-L96 HydrophobicContact CB-CD2 4.06Å; F79-L96 HydrophobicContact CD1-CD2 3.66Å; F79-L96 HydrophobicContact CD2-CD2 4.38Å; F79-L96 HydrophobicContact CE1-CD2 4.24Å; F79-L96 HydrophobicContact CG-CD2 3.75Å; L96-H98 PolarHBondContact O-N 3.48Å; L96-K99 PolarHBondContact N-O 2.94Å; L96-K99 WeakPolarHBondContact O-CA 3.24Å; L96-K99 WeakPolarHBondContact O-CB 3.18Å; L96-K99 PolarHBondContact O-N 2.71Å; L96-L201 HydrophobicContact CD2-CD1 3.67Å; L96-L201 HydrophobicContact CD2-CD2 3.81Å; L96-L201 HydrophobicContact CD2-CG 4.43Å |
| 97 | M | 77.8 | Confident | 87.8 | Confident | 87 Ų | 87 | 61.3 Ų | 61.3 | 43% | 0.429 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | -129.7 | -164.8 | -49.2 | 175.1 | 60.3 | 0 | 0 | 110 | A71 Q95 K99 | A71-M97 HydrophobicContact CB-CG 3.51Å; A71-M97 HydrophobicContact CB-SD 3.88Å; A71-M97 PolarHBondContact N-SD 3.35Å; A71-M97 VanDerWaalsContact N-SD 3.42Å; Q95-M97 WeakPolarHBondContact CG-O 3.4Å; Q95-M97 PolarHBondContact NE2-O 3.42Å; M97-K99 VanDerWaalsContact C-N 3.33Å |
| 98 | H | 69.5 | Low | 88 | Confident | 115 Ų | 115 | 61 Ų | 61 | 53% | 0.532 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 0.8 | 171.6 | 51.9 | -95 | 0 | 0 | 0 | 113.6 | L96 D146 | L96-H98 PolarHBondContact O-N 3.48Å; H98-D146 IonicContact CD2-OD2 3.41Å; H98-D146 PolarHBondContact CD2-OD2 3.48Å; H98-D146 IonicContact NE2-OD2 2.69Å |
| 99 | K | 79.8 | Confident | 88.4 | Confident | 18 Ų | 18 | 53.3 Ų | 53.3 | 8% | 0.078 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 113.5 | -171 | -56.1 | -165.6 | 172.3 | -173.1 | 0 | 111 | Q95 L96 M97 L101 D146 D149 | Q95-K99 WeakPolarHBondContact CA-O 3.41Å; L96-K99 PolarHBondContact N-O 2.94Å; L96-K99 WeakPolarHBondContact O-CA 3.24Å; L96-K99 WeakPolarHBondContact O-CB 3.18Å; L96-K99 PolarHBondContact O-N 2.71Å; M97-K99 VanDerWaalsContact C-N 3.33Å; K99-L101 HydrophobicContact CB-CD2 4.3Å; K99-L101 HydrophobicContact CB-CG 4.32Å; K99-D146 HydrophobicContact CB-CB 4.32Å; K99-D146 WeakPolarHBondContact CE-OD2 3.28Å; K99-D146 HydrophobicContact CG-CB 4.07Å; K99-D149 IonicContact NZ-OD1 2.69Å; K99-D149 PolarHBondContact NZ-OD1 3.14Å; K99-D149 IonicContact NZ-OD2 2.82Å; K99-D149 PolarHBondContact NZ-OD2 3.37Å |
| 100 | L | 86.1 | Confident | 89.2 | Confident | 48 Ų | 48 | 54 Ų | 54 | 25% | 0.251 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 116.8 | 170.1 | -164.2 | 56.5 | 0 | 0 | 0 | 109.1 | V93 Q95 W145 | V93-L100 HydrophobicContact CG1-CD1 3.83Å; V93-L100 HydrophobicContact CG1-CG 4.39Å; Q95-L100 HydrophobicContact CB-CD1 4.03Å; L100-W145 HydrophobicContact CB-CE3 4.19Å; L100-W145 HydrophobicContact CD2-CE3 3.56Å; L100-W145 HydrophobicContact CD2-CZ3 3.7Å; L100-W145 HydrophobicContact CG-CE3 3.65Å; L100-W145 HydrophobicContact CG-CZ3 3.99Å; L100-W145 PolarHBondContact O-N 2.77Å |
| 101 | L | 92.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 132.8 | -171.5 | -59.1 | 178 | 0 | 0 | 0 | 109.6 | F79 V93 R94 K99 I142 V144 | F79-L101 HydrophobicContact CE1-CD1 4.07Å; F79-L101 HydrophobicContact CE2-CD1 3.99Å; F79-L101 HydrophobicContact CZ-CD1 3.47Å; F79-L101 VanDerWaalsContact CZ-CD1 3.47Å; V93-L101 WeakPolarHBondContact CA-O 3.39Å; R94-L101 PolarHBondContact N-O 2.93Å; R94-L101 PolarHBondContact O-N 2.81Å; K99-L101 HydrophobicContact CB-CD2 4.3Å; K99-L101 HydrophobicContact CB-CG 4.32Å; L101-I142 HydrophobicContact CB-CG2 4.38Å; L101-I142 HydrophobicContact CD2-CG2 4.35Å; L101-V144 HydrophobicContact CD2-CB 4.18Å; L101-V144 HydrophobicContact CD2-CG1 3.96Å; L101-V144 HydrophobicContact CD2-CG2 3.88Å |
| 102 | V | 94.1 | Very high | 89.6 | Confident | 11 Ų | 11 | 54 Ų | 54 | 7% | 0.067 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 118.4 | 179.5 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | T91 M92 V93 I142 L143 W145 | T91-V102 HydrophobicContact CG2-CG1 3.34Å; M92-V102 CarbonylContact O-C 3.53Å; M92-V102 WeakPolarHBondContact O-CA 3.47Å; V93-V102 HydrophobicContact CG1-CG2 4.35Å; V93-V102 HydrophobicContact CG2-CG1 4.39Å; V93-V102 HydrophobicContact CG2-CG2 4.22Å; V102-I142 CarbonylContact O-C 3.58Å; V102-I142 WeakPolarHBondContact O-CA 3.25Å; V102-L143 HydrophobicContact CB-CB 4.18Å; V102-L143 HydrophobicContact CB-CD2 4.26Å; V102-L143 HydrophobicContact CB-CG 4.39Å; V102-L143 PolarHBondContact N-O 3Å; V102-L143 PolarHBondContact O-N 2.73Å; V102-W145 HydrophobicContact CG2-CD2 4.11Å; V102-W145 HydrophobicContact CG2-CE3 3.8Å; V102-W145 HydrophobicContact CG2-CH2 3.72Å; V102-W145 HydrophobicContact CG2-CZ2 4.01Å; V102-W145 HydrophobicContact CG2-CZ3 3.6Å |
| 103 | F | 95.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 161.4 | -171 | 69.5 | -88.3 | 0 | 0 | 0 | 115.5 | F79 E82 L83 T87 T91 M92 R94 L141 I142 | F79-F103 HydrophobicContact CE2-CE1 4.09Å; E82-F103 HydrophobicContact CG-CZ 4.04Å; L83-F103 HydrophobicContact CD1-CB 4.13Å; L83-F103 HydrophobicContact CD1-CD1 4.43Å; L83-F103 HydrophobicContact CD1-CD2 3.66Å; L83-F103 HydrophobicContact CD1-CE2 4.12Å; L83-F103 HydrophobicContact CD1-CG 3.84Å; T87-F103 HydrophobicContact CG2-CD2 4.38Å; T87-F103 HydrophobicContact CG2-CE2 4.11Å; T91-F103 WeakPolarHBondContact CA-O 3.33Å; M92-F103 HydrophobicContact CB-CD1 4.16Å; M92-F103 HydrophobicContact CB-CD2 4.29Å; M92-F103 HydrophobicContact CB-CE1 3.79Å; M92-F103 HydrophobicContact CB-CE2 3.93Å; M92-F103 HydrophobicContact CB-CG 4.4Å; M92-F103 HydrophobicContact CB-CZ 3.67Å; M92-F103 HydrophobicContact CG-CE2 4.19Å; M92-F103 HydrophobicContact CG-CZ 4.2Å; M92-F103 PolarHBondContact N-O 3.34Å; M92-F103 PolarHBondContact O-N 2.92Å; R94-F103 HydrophobicContact CB-CE1 4.24Å; R94-F103 HydrophobicContact CG-CE1 3.71Å; R94-F103 HydrophobicContact CG-CZ 4.32Å; F103-L141 WeakPolarHBondContact CA-O 3.41Å; F103-L141 WeakPolarHBondContact CB-O 3.35Å; F103-I142 HydrophobicContact CB-CB 4.26Å; F103-I142 HydrophobicContact CB-CG1 3.89Å; F103-I142 HydrophobicContact CB-CG2 4.25Å |
| 104 | S | 95.9 | Very high | 89.8 | Confident | 5 Ų | 5 | 51.5 Ų | 51.5 | 4% | 0.035 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 142.5 | 168.7 | -173.3 | 0 | 0 | 0 | 0 | 108.3 | T87 Q90 L115 S140 L141 | T87-S104 PolarHBondContact OG1-OG 3.1Å; Q90-S104 PolarHBondContact O-OG 3.27Å; S104-L115 WeakPolarHBondContact O-CD2 3.37Å; S104-S140 WeakPolarHBondContact O-CA 3.36Å; S104-L141 PolarHBondContact N-O 2.86Å; S104-L141 PolarHBondContact O-N 3.09Å |
| 105 | A | 95.7 | Very high | 90.1 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 3% | 0.033 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 146.8 | -178 | 0 | 0 | 0 | 0 | 0 | 111.4 | L83 P86 T87 V139 | L83-A105 WeakPolarHBondContact O-CB 3.48Å; P86-A105 CarbonylContact C-O 3.56Å; P86-A105 WeakPolarHBondContact CA-O 3.26Å; T87-A105 HydrophobicContact CG2-CB 4.21Å; T87-A105 PolarHBondContact N-O 3.26Å; T87-A105 PolarHBondContact OG1-N 2.78Å; T87-A105 PolarHBondContact OG1-O 2.78Å; A105-V139 CarbonylContact C-O 3.56Å; A105-V139 WeakPolarHBondContact CA-O 3.48Å |
| 106 | R | 93.9 | Very high | 90.6 | Very high | 118 Ų | 118 | 44.5 Ų | 44.5 | 45% | 0.445 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 147.1 | -169.2 | -170.7 | 173.2 | -177.5 | 155.8 | 11.2 | 111.5 | V108 C114 L115 V139 | R106-V108 HydrophobicContact CG-CG2 4.16Å; R106-C114 PolarHBondContact NH1-O 3.12Å; R106-L115 HydrophobicContact CB-CD1 4.27Å; R106-L115 HydrophobicContact CB-CD2 3.93Å; R106-L115 HydrophobicContact CB-CG 3.98Å; R106-V139 HydrophobicContact CB-CG2 4.41Å; R106-V139 PolarHBondContact N-O 2.71Å; R106-V139 WeakPolarHBondContact O-CG2 3.26Å; R106-V139 PolarHBondContact O-N 3.45Å |
| 107 | E | 94.6 | Very high | 91.3 | Very high | 74 Ų | 74 | 43.7 Ų | 43.7 | 35% | 0.346 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 131.5 | 163.4 | -78.5 | 168.6 | 166.8 | 0 | 0 | 109.9 | P86 R138 | P86-E107 HydrophobicContact CG-CG 3.9Å; E107-R138 HydrophobicContact CG-CG 3.62Å; E107-R138 IonicContact OE1-CZ 3.47Å; E107-R138 IonicContact OE1-NE 3.66Å; E107-R138 PolarHBondContact OE1-NE 3.14Å; E107-R138 IonicContact OE1-NH2 2.81Å; E107-R138 PolarHBondContact OE1-NH2 2.81Å |
| 108 | V | 93.7 | Very high | 91.8 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 130.8 | -175.5 | 173.9 | 0 | 0 | 0 | 0 | 109.9 | R106 I126 V131 Q136 E137 V139 | R106-V108 HydrophobicContact CG-CG2 4.16Å; V108-I126 HydrophobicContact CB-CD1 4.43Å; V108-I126 HydrophobicContact CG1-CB 4.34Å; V108-I126 HydrophobicContact CG1-CD1 4.32Å; V108-I126 HydrophobicContact CG1-CG2 3.91Å; V108-I126 HydrophobicContact CG2-CD1 4.06Å; V108-V131 HydrophobicContact CG1-CG2 4.33Å; V108-Q136 CarbonylContact O-C 3.56Å; V108-Q136 WeakPolarHBondContact O-CA 3.22Å; V108-E137 PolarHBondContact N-O 3.44Å; V108-E137 PolarHBondContact O-N 3.21Å; V108-V139 HydrophobicContact CB-CG2 4.24Å; V108-V139 HydrophobicContact CG2-CG2 3.59Å |
| 109 | D | 94.6 | Very high | 92.8 | Very high | 29 Ų | 29 | 45.2 Ų | 45.2 | 16% | 0.155 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | -172.2 | 177.6 | 73.9 | -10.3 | 0 | 0 | 0 | 111.3 | R111 G112 Q136 | D109-R111 PolarHBondContact O-N 3.4Å; D109-R111 VanDerWaalsContact OD1-CB 3.26Å; D109-R111 WeakPolarHBondContact OD1-CB 3.34Å; D109-R111 WeakPolarHBondContact OD1-CG 3.36Å; D109-R111 IonicContact OD1-CZ 3.19Å; D109-R111 PolarHBondContact OD1-N 2.88Å; D109-R111 IonicContact OD1-NH1 3.15Å; D109-R111 PolarHBondContact OD1-NH1 3.46Å; D109-R111 IonicContact OD2-CZ 3.92Å; D109-R111 IonicContact OD2-NH1 3.05Å; D109-R111 PolarHBondContact OD2-NH1 2.81Å; D109-G112 PolarHBondContact O-N 2.81Å; D109-Q136 HydrophobicContact CB-CG 4.18Å |
| 110 | H | 95.1 | Very high | 93.5 | Very high | 73 Ų | 73 | 44.7 Ų | 44.7 | 34% | 0.338 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -16.9 | 175.1 | 75.7 | -67.6 | 0 | 0 | 0 | 115.8 | G112 G129 V131 V133 | H110-G112 PolarHBondContact O-N 2.95Å; H110-G129 PolarHBondContact O-N 2.71Å; H110-V131 WeakPolarHBondContact CA-O 3.32Å; H110-V133 HydrophobicContact CB-CB 4.47Å; H110-V133 HydrophobicContact CB-CG2 4.01Å |
| 111 | R | 93.4 | Very high | 93.9 | Very high | 163 Ų | 163 | 43.5 Ų | 43.5 | 62% | 0.615 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -10 | 175.2 | -47.5 | -169.6 | -27.6 | -76.7 | 4.6 | 112.2 | D109 P128 | D109-R111 PolarHBondContact O-N 3.4Å; D109-R111 VanDerWaalsContact OD1-CB 3.26Å; D109-R111 WeakPolarHBondContact OD1-CB 3.34Å; D109-R111 WeakPolarHBondContact OD1-CG 3.36Å; D109-R111 IonicContact OD1-CZ 3.19Å; D109-R111 PolarHBondContact OD1-N 2.88Å; D109-R111 IonicContact OD1-NH1 3.15Å; D109-R111 PolarHBondContact OD1-NH1 3.46Å; D109-R111 IonicContact OD2-CZ 3.92Å; D109-R111 IonicContact OD2-NH1 3.05Å; D109-R111 PolarHBondContact OD2-NH1 2.81Å; R111-P128 WeakPolarHBondContact O-CG 3.5Å |
| 112 | G | 93.8 | Very high | 94.2 | Very high | 13 Ų | 13 | 43.6 Ų | 43.6 | 13% | 0.134 | 22% | 0.218 | C | C | . | . | trans | 78.9 | -173.5 | -174 | 0 | 0 | 0 | 0 | 0 | 112.3 | D109 H110 I126 | D109-G112 PolarHBondContact O-N 2.81Å; H110-G112 PolarHBondContact O-N 2.95Å; G112-I126 CarbonylContact C-O 3.38Å; G112-I126 WeakPolarHBondContact CA-O 3.47Å | ||
| 113 | G | 92.6 | Very high | 94.3 | Very high | 14 Ų | 14 | 44.7 Ų | 44.7 | 14% | 0.144 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.5 | 167.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113 | I126 | G113-I126 PolarHBondContact N-O 3.34Å; G113-I126 PolarHBondContact O-N 3.07Å |
| 114 | C | 93.3 | Very high | 94.4 | Very high | 44 Ų | 44 | 44.7 Ų | 44.7 | 30% | 0.297 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 139.8 | 172.2 | -169.9 | 0 | 0 | 0 | 0 | 109.3 | R106 L124 L125 | R106-C114 PolarHBondContact NH1-O 3.12Å; C114-L124 WeakPolarHBondContact CA-O 3.35Å; C114-L125 HydrophobicContact CB-CD1 4.48Å |
| 115 | L | 95.6 | Very high | 94.5 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 139.2 | 168.7 | -64.6 | 85.5 | 0 | 0 | 0 | 107.4 | S104 R106 S123 L124 I126 V139 L141 | S104-L115 WeakPolarHBondContact O-CD2 3.37Å; R106-L115 HydrophobicContact CB-CD1 4.27Å; R106-L115 HydrophobicContact CB-CD2 3.93Å; R106-L115 HydrophobicContact CB-CG 3.98Å; L115-S123 CarbonylContact O-C 3.53Å; L115-S123 VanDerWaalsContact O-CA 3.27Å; L115-S123 WeakPolarHBondContact O-CA 3.33Å; L115-L124 PolarHBondContact N-O 2.82Å; L115-L124 PolarHBondContact O-N 3.47Å; L115-I126 HydrophobicContact CD1-CD1 4.16Å; L115-V139 HydrophobicContact CD1-CG2 3.74Å; L115-V139 HydrophobicContact CD2-CG2 4.31Å; L115-L141 HydrophobicContact CB-CB 4.03Å; L115-L141 HydrophobicContact CB-CD2 4.09Å; L115-L141 HydrophobicContact CD2-CB 4.22Å |
| 116 | M | 94 | Very high | 94.6 | Very high | 92 Ų | 92 | 48.3 Ų | 48.3 | 45% | 0.453 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 128.3 | -176.5 | -57.5 | -170.6 | -63.7 | 0 | 0 | 110.5 | Q118 I122 | M116-Q118 HydrophobicContact CB-CG 4.06Å; M116-I122 WeakPolarHBondContact CA-O 3.45Å |
| 117 | L | 95.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 87.5 | 164 | -53.5 | 178.1 | 0 | 0 | 0 | 105.7 | T91 A120 G121 I122 L141 L143 | T91-L117 HydrophobicContact CG2-CD2 3.98Å; L117-A120 HydrophobicContact CB-CB 3.93Å; L117-A120 PolarHBondContact O-N 2.93Å; L117-A120 VanDerWaalsContact O-N 3.16Å; L117-G121 PolarHBondContact O-N 2.84Å; L117-G121 VanDerWaalsContact O-N 3.14Å; L117-I122 HydrophobicContact CB-CB 4.31Å; L117-I122 HydrophobicContact CD1-CD1 4.4Å; L117-I122 PolarHBondContact N-O 2.88Å; L117-I122 PolarHBondContact O-N 3.07Å; L117-L141 HydrophobicContact CD1-CG 4.25Å; L117-L141 HydrophobicContact CG-CD2 4.19Å; L117-L141 HydrophobicContact CG-CG 4.23Å; L117-L143 HydrophobicContact CD1-CB 3.69Å |
| 118 | Q | 89.3 | Confident | 94.6 | Very high | 138 Ų | 138 | 44.8 Ų | 44.8 | 65% | 0.645 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -61.5 | -51.4 | -162.5 | -60.7 | -173.2 | 28.5 | 0 | 0 | 111.8 | M116 A120 G121 | M116-Q118 HydrophobicContact CB-CG 4.06Å; Q118-A120 PolarHBondContact O-N 3.04Å; Q118-A120 VanDerWaalsContact O-N 3.16Å; Q118-G121 PolarHBondContact O-N 3.23Å |
| 119 | D | 90.6 | Very high | 94.6 | Very high | 96 Ų | 96 | 45.9 Ų | 45.9 | 51% | 0.513 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -65.6 | -19.4 | -179.8 | -42.1 | -65.4 | 0 | 0 | 0 | 113 | P274 Q278 | D119-P274 CarbonylContact O-C 3.58Å; D119-P274 WeakPolarHBondContact O-CB 3.43Å; D119-Q278 HydrophobicContact CB-CG 4.22Å |
| 120 | A | 93.8 | Very high | 94.6 | Very high | 6 Ų | 6 | 44.6 Ų | 44.6 | 5% | 0.05 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -88.9 | -17.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | L117 Q118 I122 L143 C275 | L117-A120 HydrophobicContact CB-CB 3.93Å; L117-A120 PolarHBondContact O-N 2.93Å; L117-A120 VanDerWaalsContact O-N 3.16Å; Q118-A120 PolarHBondContact O-N 3.04Å; Q118-A120 VanDerWaalsContact O-N 3.16Å; A120-I122 HydrophobicContact CB-CD1 3.76Å; A120-I122 HydrophobicContact CB-CG1 3.97Å; A120-L143 HydrophobicContact CB-CD2 3.72Å; A120-C275 HydrophobicContact CB-CB 3.89Å; A120-C275 PolarHBondContact O-N 3.16Å |
| 121 | G | 94.4 | Very high | 94.6 | Very high | 23 Ų | 23 | 41.4 Ų | 41.4 | 24% | 0.237 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69 | 39.5 | -173 | 0 | 0 | 0 | 0 | 0 | 113.4 | L117 Q118 K182 | L117-G121 PolarHBondContact O-N 2.84Å; L117-G121 VanDerWaalsContact O-N 3.14Å; Q118-G121 PolarHBondContact O-N 3.23Å; G121-K182 PolarHBondContact O-N 3.5Å |
| 122 | I | 97.9 | Very high | 94.6 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 133.9 | -177.2 | -53.1 | 168.8 | 0 | 0 | 0 | 109.6 | M116 L117 A120 L141 L143 P162 V164 L179 T180 F181 | M116-I122 WeakPolarHBondContact CA-O 3.45Å; L117-I122 HydrophobicContact CB-CB 4.31Å; L117-I122 HydrophobicContact CD1-CD1 4.4Å; L117-I122 PolarHBondContact N-O 2.88Å; L117-I122 PolarHBondContact O-N 3.07Å; A120-I122 HydrophobicContact CB-CD1 3.76Å; A120-I122 HydrophobicContact CB-CG1 3.97Å; I122-L141 HydrophobicContact CG2-CD1 4Å; I122-L141 HydrophobicContact CG2-CD2 4.17Å; I122-L141 HydrophobicContact CG2-CG 4.36Å; I122-L143 HydrophobicContact CD1-CB 3.94Å; I122-L143 HydrophobicContact CD1-CD1 3.97Å; I122-L143 HydrophobicContact CD1-CD2 4.1Å; I122-L143 HydrophobicContact CD1-CG 4.24Å; I122-P162 HydrophobicContact CD1-CG 4.04Å; I122-V164 HydrophobicContact CD1-CG2 3.98Å; I122-V164 HydrophobicContact CG2-CG1 3.77Å; I122-V164 HydrophobicContact CG2-CG2 4.28Å; I122-L179 HydrophobicContact CG2-CD1 4.45Å; I122-T180 WeakPolarHBondContact CA-O 3.46Å; I122-F181 HydrophobicContact CG1-CB 4.05Å; I122-F181 HydrophobicContact CG2-CB 4.27Å |
| 123 | S | 97.2 | Very high | 94.7 | Very high | 33 Ų | 33 | 41.4 Ų | 41.4 | 23% | 0.231 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 151.6 | 176.8 | 64 | 0 | 0 | 0 | 0 | 113.7 | L115 T180 | L115-S123 CarbonylContact O-C 3.53Å; L115-S123 VanDerWaalsContact O-CA 3.27Å; L115-S123 WeakPolarHBondContact O-CA 3.33Å; S123-T180 PolarHBondContact N-O 3.39Å; S123-T180 PolarHBondContact O-N 3.4Å |
| 124 | L | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 114.7 | 176.9 | 175.6 | 62.8 | 0 | 0 | 0 | 109.2 | C114 L115 L141 C166 C177 L179 L225 F228 | C114-L124 WeakPolarHBondContact CA-O 3.35Å; L115-L124 PolarHBondContact N-O 2.82Å; L115-L124 PolarHBondContact O-N 3.47Å; L124-L141 HydrophobicContact CB-CD1 4.12Å; L124-L141 HydrophobicContact CB-CD2 4.01Å; L124-L141 HydrophobicContact CB-CG 4.45Å; L124-C166 HydrophobicContact CD2-CB 4.19Å; L124-C177 HydrophobicContact CD1-CB 4.19Å; L124-L179 HydrophobicContact CD1-CB 4.34Å; L124-L225 HydrophobicContact CD1-CD1 4.1Å; L124-F228 HydrophobicContact CD1-CE1 4.23Å; L124-F228 HydrophobicContact CD1-CZ 4.37Å; L124-F228 HydrophobicContact CD2-CE1 4.33Å; L124-F228 HydrophobicContact CD2-CE2 4.18Å; L124-F228 HydrophobicContact CD2-CZ 3.79Å; L124-F228 HydrophobicContact CG-CZ 4.47Å |
| 125 | L | 97.5 | Very high | 94.6 | Very high | 84 Ų | 84 | 49.9 Ų | 49.9 | 44% | 0.44 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 121.5 | 177.5 | 178.5 | 64.8 | 0 | 0 | 0 | 110.4 | C114 C177 T178 | C114-L125 HydrophobicContact CB-CD1 4.48Å; L125-C177 CarbonylContact O-C 3.57Å; L125-C177 WeakPolarHBondContact O-CA 3.36Å; L125-C177 WeakPolarHBondContact O-CB 3.26Å; L125-T178 PolarHBondContact N-O 2.74Å; L125-T178 PolarHBondContact O-N 2.65Å |
| 126 | I | 96.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 108.9 | 172.7 | -62.9 | 157.6 | 0 | 0 | 0 | 106.6 | V108 G112 G113 L115 A130 V139 F173 C177 F228 | V108-I126 HydrophobicContact CB-CD1 4.43Å; V108-I126 HydrophobicContact CG1-CB 4.34Å; V108-I126 HydrophobicContact CG1-CD1 4.32Å; V108-I126 HydrophobicContact CG1-CG2 3.91Å; V108-I126 HydrophobicContact CG2-CD1 4.06Å; G112-I126 CarbonylContact C-O 3.38Å; G112-I126 WeakPolarHBondContact CA-O 3.47Å; G113-I126 PolarHBondContact N-O 3.34Å; G113-I126 PolarHBondContact O-N 3.07Å; L115-I126 HydrophobicContact CD1-CD1 4.16Å; I126-A130 HydrophobicContact CG2-CB 3.7Å; I126-V139 HydrophobicContact CD1-CB 4.1Å; I126-V139 HydrophobicContact CD1-CG1 3.94Å; I126-V139 HydrophobicContact CD1-CG2 3.69Å; I126-F173 HydrophobicContact CG2-CD1 4.34Å; I126-F173 HydrophobicContact CG2-CE1 4.39Å; I126-C177 HydrophobicContact CG1-CB 4.4Å; I126-F228 HydrophobicContact CD1-CZ 4.27Å; I126-F228 HydrophobicContact CG1-CZ 4.3Å |
| 127 | P | 94.3 | Very high | 94.3 | Very high | 31 Ų | 31 | 55 Ų | 55 | 20% | 0.201 | 32% | 0.318 | C | S | . | . | trans | -74 | 158.8 | -170.1 | 27.5 | -33.9 | 0 | 0 | 0 | 113.2 | G129 A130 K175 P176 | P127-G129 PolarHBondContact O-N 3.21Å; P127-A130 HydrophobicContact CG-CB 4.17Å; P127-A130 WeakPolarHBondContact O-CB 3.42Å; P127-A130 PolarHBondContact O-N 3.44Å; P127-K175 HydrophobicContact CG-CB 3.95Å; P127-P176 WeakPolarHBondContact CG-O 3.28Å | ||
| 128 | P | 94.7 | Very high | 94.2 | Very high | 87 Ų | 87 | 61 Ų | 61 | 57% | 0.565 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 130.9 | 176.2 | -23.4 | 32.2 | 0 | 0 | 0 | 112.3 | R111 K175 | R111-P128 WeakPolarHBondContact O-CG 3.5Å; P128-K175 WeakPolarHBondContact O-CD 3.46Å; P128-K175 WeakPolarHBondContact O-CE 3.4Å; P128-K175 PolarHBondContact O-NZ 2.9Å |
| 129 | G | 94.4 | Very high | 94.5 | Very high | 26 Ų | 26 | 54.6 Ų | 54.6 | 27% | 0.268 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 16.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115 | H110 P127 | H110-G129 PolarHBondContact O-N 2.71Å; P127-G129 PolarHBondContact O-N 3.21Å |
| 130 | A | 94.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 50 Ų | 50 | 2% | 0.017 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -73.7 | -33.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I126 P127 F173 L174 K175 | I126-A130 HydrophobicContact CG2-CB 3.7Å; P127-A130 HydrophobicContact CG-CB 4.17Å; P127-A130 WeakPolarHBondContact O-CB 3.42Å; P127-A130 PolarHBondContact O-N 3.44Å; A130-F173 HydrophobicContact CB-CB 4.11Å; A130-F173 HydrophobicContact CB-CD1 4.26Å; A130-L174 WeakPolarHBondContact O-CB 3.47Å; A130-L174 PolarHBondContact O-N 3.44Å; A130-K175 HydrophobicContact CB-CB 4.2Å |
| 131 | V | 94.9 | Very high | 95 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 4% | 0.036 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -99.4 | 148.1 | 171.5 | 178.3 | 0 | 0 | 0 | 0 | 109.3 | V108 H110 R135 E137 F173 | V108-V131 HydrophobicContact CG1-CG2 4.33Å; H110-V131 WeakPolarHBondContact CA-O 3.32Å; V131-R135 HydrophobicContact CG1-CB 4.07Å; V131-E137 HydrophobicContact CG1-CG 3.89Å; V131-E137 HydrophobicContact CG2-CB 4.25Å; V131-E137 HydrophobicContact CG2-CG 3.85Å; V131-F173 HydrophobicContact CG2-CD1 3.89Å; V131-F173 HydrophobicContact CG2-CE1 3.82Å |
| 132 | T | 94.1 | Very high | 95.2 | Very high | 55 Ų | 55 | 48.8 Ų | 48.8 | 34% | 0.337 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 145.8 | 176.6 | 40.6 | 0 | 0 | 0 | 0 | 112.2 | G134 R135 L174 | T132-G134 PolarHBondContact O-N 3.45Å; T132-R135 PolarHBondContact O-N 3.48Å; T132-R135 VanDerWaalsContact O-N 3.11Å; T132-R135 WeakPolarHBondContact OG1-CB 3.25Å; T132-R135 VanDerWaalsContact OG1-CD 3.22Å; T132-R135 WeakPolarHBondContact OG1-CD 3.32Å; T132-R135 VanDerWaalsContact OG1-CG 3.26Å; T132-R135 WeakPolarHBondContact OG1-CG 3.33Å; T132-L174 HydrophobicContact CG2-CD1 3.73Å |
| 133 | V | 94.1 | Very high | 95.1 | Very high | 122 Ų | 122 | 48.6 Ų | 48.6 | 74% | 0.739 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 133.3 | 172.3 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | H110 R135 | H110-V133 HydrophobicContact CB-CB 4.47Å; H110-V133 HydrophobicContact CB-CG2 4.01Å; V133-R135 VanDerWaalsContact C-N 3.33Å |
| 134 | G | 90.9 | Very high | 95 | Very high | 79 Ų | 79 | 47.2 Ų | 47.2 | 81% | 0.814 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.7 | -2.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | T132 | T132-G134 PolarHBondContact O-N 3.45Š|
| 135 | R | 93 | Very high | 94.5 | Very high | 156 Ų | 156 | 48.9 Ų | 48.9 | 59% | 0.589 | 27% | 0.269 | S | S | * | . | trans | -107.1 | 158.5 | 167.8 | -66.8 | -160.8 | -171 | -178.3 | -0.4 | 112.5 | V131 T132 V133 | V131-R135 HydrophobicContact CG1-CB 4.07Å; T132-R135 PolarHBondContact O-N 3.48Å; T132-R135 VanDerWaalsContact O-N 3.11Å; T132-R135 WeakPolarHBondContact OG1-CB 3.25Å; T132-R135 VanDerWaalsContact OG1-CD 3.22Å; T132-R135 WeakPolarHBondContact OG1-CD 3.32Å; T132-R135 VanDerWaalsContact OG1-CG 3.26Å; T132-R135 WeakPolarHBondContact OG1-CG 3.33Å; V133-R135 VanDerWaalsContact C-N 3.33Å | ||
| 136 | Q | 92.4 | Very high | 94 | Very high | 134 Ų | 134 | 46.4 Ų | 46.4 | 63% | 0.626 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 132.7 | 166.4 | -69 | 176.5 | -37.9 | 0 | 0 | 107.5 | V108 D109 | V108-Q136 CarbonylContact O-C 3.56Å; V108-Q136 WeakPolarHBondContact O-CA 3.22Å; D109-Q136 HydrophobicContact CB-CG 4.18Å |
| 137 | E | 92.3 | Very high | 93.3 | Very high | 70 Ų | 70 | 49.7 Ų | 49.7 | 33% | 0.327 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 135.4 | 175 | -59.7 | -61.7 | 160.9 | 0 | 0 | 108.9 | V108 V131 F173 | V108-E137 PolarHBondContact N-O 3.44Å; V108-E137 PolarHBondContact O-N 3.21Å; V131-E137 HydrophobicContact CG1-CG 3.89Å; V131-E137 HydrophobicContact CG2-CB 4.25Å; V131-E137 HydrophobicContact CG2-CG 3.85Å; E137-F173 HydrophobicContact CB-CE1 4.32Å; E137-F173 HydrophobicContact CG-CE1 4.34Å |
| 138 | R | 93.6 | Very high | 92.9 | Very high | 127 Ų | 127 | 51.8 Ų | 51.8 | 48% | 0.479 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 128.5 | 170.6 | -77.1 | 176.7 | 176.2 | -174.1 | -1.5 | 108.6 | H84 E107 P168 | H84-R138 WeakPolarHBondContact O-CD 3.26Å; E107-R138 HydrophobicContact CG-CG 3.62Å; E107-R138 IonicContact OE1-CZ 3.47Å; E107-R138 IonicContact OE1-NE 3.66Å; E107-R138 PolarHBondContact OE1-NE 3.14Å; E107-R138 IonicContact OE1-NH2 2.81Å; E107-R138 PolarHBondContact OE1-NH2 2.81Å; R138-P168 WeakPolarHBondContact O-CD 3.47Å |
| 139 | V | 95.7 | Very high | 92.7 | Very high | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.03 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 147.1 | -175.6 | -66.1 | 0 | 0 | 0 | 0 | 111 | A105 R106 V108 L115 I126 G167 F173 F228 | A105-V139 CarbonylContact C-O 3.56Å; A105-V139 WeakPolarHBondContact CA-O 3.48Å; R106-V139 HydrophobicContact CB-CG2 4.41Å; R106-V139 PolarHBondContact N-O 2.71Å; R106-V139 WeakPolarHBondContact O-CG2 3.26Å; R106-V139 PolarHBondContact O-N 3.45Å; V108-V139 HydrophobicContact CB-CG2 4.24Å; V108-V139 HydrophobicContact CG2-CG2 3.59Å; L115-V139 HydrophobicContact CD1-CG2 3.74Å; L115-V139 HydrophobicContact CD2-CG2 4.31Å; I126-V139 HydrophobicContact CD1-CB 4.1Å; I126-V139 HydrophobicContact CD1-CG1 3.94Å; I126-V139 HydrophobicContact CD1-CG2 3.69Å; V139-G167 CarbonylContact C-O 3.52Å; V139-G167 VanDerWaalsContact CA-O 3.32Å; V139-G167 WeakPolarHBondContact CA-O 3.49Å; V139-F173 HydrophobicContact CG1-CE1 4.41Å; V139-F173 HydrophobicContact CG1-CZ 3.8Å; V139-F228 HydrophobicContact CB-CE2 4.08Å; V139-F228 HydrophobicContact CG1-CE2 3.73Å; V139-F228 HydrophobicContact CG1-CZ 4.41Å |
| 140 | S | 96.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 149.8 | 178.2 | 54.3 | 0 | 0 | 0 | 0 | 112.3 | S104 C166 G167 | S104-S140 WeakPolarHBondContact O-CA 3.36Å; S140-C166 WeakPolarHBondContact O-CA 3.1Å; S140-G167 PolarHBondContact N-O 3Å; S140-G167 PolarHBondContact O-N 3.45Å; S140-G167 WeakPolarHBondContact OG-CA 3.44Å |
| 141 | L | 97.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 120.1 | 177.7 | 175.1 | 61.2 | 0 | 0 | 0 | 107.7 | F103 S104 L115 L117 I122 L124 V164 L179 | F103-L141 WeakPolarHBondContact CA-O 3.41Å; F103-L141 WeakPolarHBondContact CB-O 3.35Å; S104-L141 PolarHBondContact N-O 2.86Å; S104-L141 PolarHBondContact O-N 3.09Å; L115-L141 HydrophobicContact CB-CB 4.03Å; L115-L141 HydrophobicContact CB-CD2 4.09Å; L115-L141 HydrophobicContact CD2-CB 4.22Å; L117-L141 HydrophobicContact CD1-CG 4.25Å; L117-L141 HydrophobicContact CG-CD2 4.19Å; L117-L141 HydrophobicContact CG-CG 4.23Å; I122-L141 HydrophobicContact CG2-CD1 4Å; I122-L141 HydrophobicContact CG2-CD2 4.17Å; I122-L141 HydrophobicContact CG2-CG 4.36Å; L124-L141 HydrophobicContact CB-CD1 4.12Å; L124-L141 HydrophobicContact CB-CD2 4.01Å; L124-L141 HydrophobicContact CB-CG 4.45Å; L141-V164 HydrophobicContact CD1-CG1 3.75Å; L141-L179 HydrophobicContact CD1-CD1 4Å |
| 142 | I | 97.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 130.5 | -172.1 | -48.2 | 89.9 | 0 | 0 | 0 | 109.8 | L83 L101 V102 F103 V144 V164 A165 L200 | L83-I142 HydrophobicContact CD1-CD1 4.11Å; L83-I142 HydrophobicContact CD1-CG1 3.71Å; L83-I142 HydrophobicContact CD2-CD1 4.48Å; L101-I142 HydrophobicContact CB-CG2 4.38Å; L101-I142 HydrophobicContact CD2-CG2 4.35Å; V102-I142 CarbonylContact O-C 3.58Å; V102-I142 WeakPolarHBondContact O-CA 3.25Å; F103-I142 HydrophobicContact CB-CB 4.26Å; F103-I142 HydrophobicContact CB-CG1 3.89Å; F103-I142 HydrophobicContact CB-CG2 4.25Å; I142-V144 HydrophobicContact CG2-CG2 4.45Å; I142-V164 CarbonylContact O-C 3.59Å; I142-V164 WeakPolarHBondContact O-CA 3.35Å; I142-V164 WeakPolarHBondContact O-CG1 3.32Å; I142-A165 HydrophobicContact CB-CB 4.25Å; I142-A165 HydrophobicContact CD1-CB 4.22Å; I142-A165 WeakPolarHBondContact CD1-O 3.44Å; I142-A165 PolarHBondContact N-O 2.93Å; I142-A165 PolarHBondContact O-N 3.29Å; I142-L200 HydrophobicContact CG1-CD2 4.3Å; I142-L200 HydrophobicContact CG2-CD1 4.44Å; I142-L200 HydrophobicContact CG2-CD2 4.42Å |
| 143 | L | 97.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 127.2 | 163.2 | 162.1 | 61.4 | 0 | 0 | 0 | 108.4 | V102 L117 A120 I122 W145 P162 C275 | V102-L143 HydrophobicContact CB-CB 4.18Å; V102-L143 HydrophobicContact CB-CD2 4.26Å; V102-L143 HydrophobicContact CB-CG 4.39Å; V102-L143 PolarHBondContact N-O 3Å; V102-L143 PolarHBondContact O-N 2.73Å; L117-L143 HydrophobicContact CD1-CB 3.69Å; A120-L143 HydrophobicContact CB-CD2 3.72Å; I122-L143 HydrophobicContact CD1-CB 3.94Å; I122-L143 HydrophobicContact CD1-CD1 3.97Å; I122-L143 HydrophobicContact CD1-CD2 4.1Å; I122-L143 HydrophobicContact CD1-CG 4.24Å; L143-W145 HydrophobicContact CD2-CZ2 4.46Å; L143-P162 HydrophobicContact CD1-CB 3.37Å; L143-P162 HydrophobicContact CD1-CG 4.21Å; L143-C275 HydrophobicContact CD2-CB 3.98Å |
| 144 | V | 95.1 | Very high | 92.1 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.024 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 117.7 | 173.6 | -173.9 | 0 | 0 | 0 | 0 | 107.9 | L101 I142 D146 D149 V163 L200 | L101-V144 HydrophobicContact CD2-CB 4.18Å; L101-V144 HydrophobicContact CD2-CG1 3.96Å; L101-V144 HydrophobicContact CD2-CG2 3.88Å; I142-V144 HydrophobicContact CG2-CG2 4.45Å; V144-D146 HydrophobicContact CG1-CB 4.25Å; V144-D149 HydrophobicContact CG1-CB 4.16Å; V144-V163 HydrophobicContact CB-CB 4.15Å; V144-V163 HydrophobicContact CB-CG1 4.02Å; V144-V163 HydrophobicContact CG2-CG1 4.17Å; V144-V163 PolarHBondContact N-O 2.78Å; V144-L200 HydrophobicContact CG2-CD1 3.96Å |
| 145 | W | 87.9 | Confident | 92 | Very high | 35 Ų | 35 | 54.3 Ų | 54.3 | 13% | 0.133 | 27% | 0.27 | C | S | . | . | trans | -88.7 | -15.9 | 174.8 | -78.7 | -35.6 | 0 | 0 | 0 | 113.4 | L100 V102 L143 L147 C275 Q278 W279 T282 | L100-W145 HydrophobicContact CB-CE3 4.19Å; L100-W145 HydrophobicContact CD2-CE3 3.56Å; L100-W145 HydrophobicContact CD2-CZ3 3.7Å; L100-W145 HydrophobicContact CG-CE3 3.65Å; L100-W145 HydrophobicContact CG-CZ3 3.99Å; L100-W145 PolarHBondContact O-N 2.77Å; V102-W145 HydrophobicContact CG2-CD2 4.11Å; V102-W145 HydrophobicContact CG2-CE3 3.8Å; V102-W145 HydrophobicContact CG2-CH2 3.72Å; V102-W145 HydrophobicContact CG2-CZ2 4.01Å; V102-W145 HydrophobicContact CG2-CZ3 3.6Å; L143-W145 HydrophobicContact CD2-CZ2 4.46Å; W145-L147 PolarHBondContact O-N 3.29Å; W145-C275 PolarHBondContact NE1-O 2.76Å; W145-Q278 HydrophobicContact CZ2-CB 4.38Å; W145-Q278 HydrophobicContact CZ2-CG 4.22Å; W145-W279 HydrophobicContact CD2-CB 4.39Å; W145-W279 AromaticContact CD2-CD1 3.81Å; W145-W279 AromaticContact CG-CD1 3.88Å; W145-W279 HydrophobicContact CZ2-CB 4.12Å; W145-T282 HydrophobicContact CH2-CG2 4.48Å; W145-T282 HydrophobicContact CZ3-CG2 4.3Å | ||
| 146 | D | 85.1 | Confident | 91.8 | Very high | 31 Ų | 31 | 50.1 Ų | 50.1 | 17% | 0.166 | 27% | 0.269 | C | S | . | . | trans | -71.4 | 122 | 173.6 | 173.4 | 29.1 | 0 | 0 | 0 | 111.7 | H98 K99 V144 S148 | H98-D146 IonicContact CD2-OD2 3.41Å; H98-D146 PolarHBondContact CD2-OD2 3.48Å; H98-D146 IonicContact NE2-OD2 2.69Å; K99-D146 HydrophobicContact CB-CB 4.32Å; K99-D146 WeakPolarHBondContact CE-OD2 3.28Å; K99-D146 HydrophobicContact CG-CB 4.07Å; V144-D146 HydrophobicContact CG1-CB 4.25Å; D146-S148 VanDerWaalsContact C-N 3.3Å; D146-S148 PolarHBondContact O-N 2.95Å; D146-S148 WeakPolarHBondContact OD1-CB 3.49Å; D146-S148 PolarHBondContact OD1-N 3.02Å; D146-S148 WeakPolarHBondContact OD2-CB 3.39Å; D146-S148 PolarHBondContact OD2-OG 3.12Å | ||
| 147 | L | 84.1 | Confident | 91.9 | Very high | 70 Ų | 70 | 45.9 Ų | 45.9 | 37% | 0.366 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -79.9 | -6.8 | 179 | -61.9 | 176.9 | 0 | 0 | 0 | 113.5 | W145 D149 A150 L159 K338 | W145-L147 PolarHBondContact O-N 3.29Å; L147-D149 PolarHBondContact O-N 2.91Å; L147-A150 HydrophobicContact CD2-CB 4.48Å; L147-A150 VanDerWaalsContact O-CB 3.32Å; L147-A150 WeakPolarHBondContact O-CB 3.46Å; L147-A150 PolarHBondContact O-N 3.4Å; L147-A150 VanDerWaalsContact O-N 3.14Å; L147-L159 HydrophobicContact CD2-CD2 3.62Å; L147-K338 HydrophobicContact CD1-CB 4.4Å; L147-K338 HydrophobicContact CD1-CG 4.21Å |
| 148 | S | 84.4 | Confident | 92 | Very high | 76 Ų | 76 | 42.5 Ų | 42.5 | 53% | 0.531 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -64.3 | -27.7 | 169.6 | 93 | 0 | 0 | 0 | 0 | 112.2 | D146 A150 | D146-S148 VanDerWaalsContact C-N 3.3Å; D146-S148 PolarHBondContact O-N 2.95Å; D146-S148 WeakPolarHBondContact OD1-CB 3.49Å; D146-S148 PolarHBondContact OD1-N 3.02Å; D146-S148 WeakPolarHBondContact OD2-CB 3.39Å; D146-S148 PolarHBondContact OD2-OG 3.12Å; S148-A150 VanDerWaalsContact C-N 3.34Å |
| 149 | D | 90.2 | Very high | 92.1 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 3% | 0.032 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -83.4 | -5 | 174.1 | -83.2 | -20.5 | 0 | 0 | 0 | 113.7 | K99 V144 L147 K204 W206 | K99-D149 IonicContact NZ-OD1 2.69Å; K99-D149 PolarHBondContact NZ-OD1 3.14Å; K99-D149 IonicContact NZ-OD2 2.82Å; K99-D149 PolarHBondContact NZ-OD2 3.37Å; V144-D149 HydrophobicContact CG1-CB 4.16Å; L147-D149 PolarHBondContact O-N 2.91Å; D149-K204 HydrophobicContact CB-CG 4.03Å; D149-K204 WeakPolarHBondContact OD1-CG 3.48Å; D149-K204 IonicContact OD1-NZ 3.8Å; D149-K204 PolarHBondContact OD1-NZ 2.87Å; D149-K204 IonicContact OD2-NZ 3.78Å; D149-K204 PolarHBondContact OD2-NZ 2.95Å; D149-W206 VanDerWaalsContact O-CE2 3.28Å; D149-W206 VanDerWaalsContact O-CZ2 3.25Å; D149-W206 WeakPolarHBondContact O-CZ2 3.46Å; D149-W206 PolarHBondContact O-NE1 3.14Å |
| 150 | A | 92.9 | Very high | 92.2 | Very high | 18 Ų | 18 | 36.4 Ų | 36.4 | 15% | 0.149 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -76.4 | 162.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L147 S148 L159 V163 | L147-A150 HydrophobicContact CD2-CB 4.48Å; L147-A150 VanDerWaalsContact O-CB 3.32Å; L147-A150 WeakPolarHBondContact O-CB 3.46Å; L147-A150 PolarHBondContact O-N 3.4Å; L147-A150 VanDerWaalsContact O-N 3.14Å; S148-A150 VanDerWaalsContact C-N 3.34Å; A150-L159 HydrophobicContact CB-CD2 4.29Å; A150-V163 HydrophobicContact CB-CG2 4.01Å |
| 151 | P | 93.9 | Very high | 92.2 | Very high | 14 Ų | 14 | 36.6 Ų | 36.6 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | trans | -61.6 | 142.4 | 174.7 | -19.9 | 30.8 | 0 | 0 | 0 | 111.9 | L153 W206 T232 V234 | P151-L153 HydrophobicContact CB-CD2 4.07Å; P151-L153 WeakPolarHBondContact O-CD2 3.32Å; P151-L153 WeakPolarHBondContact O-CG 3.13Å; P151-L153 PolarHBondContact O-N 2.78Å; P151-L153 VanDerWaalsContact O-N 3.1Å; P151-W206 HydrophobicContact CB-CB 4.18Å; P151-W206 HydrophobicContact CB-CG 3.99Å; P151-W206 HydrophobicContact CG-CB 4.23Å; P151-W206 HydrophobicContact CG-CD2 3.78Å; P151-W206 HydrophobicContact CG-CE3 4.36Å; P151-W206 HydrophobicContact CG-CG 3.71Å; P151-T232 HydrophobicContact CG-CG2 3.61Å; P151-V234 HydrophobicContact CB-CG2 4.35Å; P151-V234 HydrophobicContact CG-CG2 3.93Å | ||
| 152 | S | 91.1 | Very high | 92 | Very high | 127 Ų | 127 | 37.3 Ų | 37.3 | 89% | 0.888 | 22% | 0.216 | S | C | * | . | trans | -64.9 | 109.2 | 170.7 | -68.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 153 | L | 92 | Very high | 92 | Very high | 35 Ų | 35 | 37.3 Ų | 37.3 | 18% | 0.183 | 22% | 0.216 | C | C | . | . | trans | -95.7 | 137.1 | -174.8 | -57 | -170.3 | 0 | 0 | 0 | 113.2 | P151 Q157 L159 V234 H336 | P151-L153 HydrophobicContact CB-CD2 4.07Å; P151-L153 WeakPolarHBondContact O-CD2 3.32Å; P151-L153 WeakPolarHBondContact O-CG 3.13Å; P151-L153 PolarHBondContact O-N 2.78Å; P151-L153 VanDerWaalsContact O-N 3.1Å; L153-Q157 HydrophobicContact CB-CB 4.22Å; L153-Q157 HydrophobicContact CD2-CB 4.15Å; L153-L159 HydrophobicContact CD1-CB 3.89Å; L153-V234 HydrophobicContact CD2-CB 4.44Å; L153-V234 HydrophobicContact CD2-CG1 3.65Å; L153-V234 HydrophobicContact CD2-CG2 3.86Å; L153-H336 WeakPolarHBondContact CB-NE2 3.44Å; L153-H336 HydrophobicContact CD1-CB 4.45Å; L153-H336 PolarHBondContact O-CE1 2.87Å | ||
| 154 | S | 90.9 | Very high | 92.1 | Very high | 56 Ų | 56 | 37.3 Ų | 37.3 | 39% | 0.392 | 22% | 0.216 | S | C | . | . | trans | -71.4 | 175.1 | 164.1 | 69.8 | 0 | 0 | 0 | 0 | 112 | A156 Q157 H336 | S154-A156 PolarHBondContact O-N 2.77Å; S154-A156 PolarHBondContact OG-N 3.26Å; S154-Q157 VanDerWaalsContact CB-OE1 3.27Å; S154-Q157 PolarHBondContact O-N 2.95Å; S154-Q157 PolarHBondContact OG-N 3.32Å; S154-Q157 PolarHBondContact OG-OE1 3.28Å; S154-H336 PolarHBondContact O-NE2 3.42Å | ||
| 155 | R | 87.8 | Confident | 92.2 | Very high | 174 Ų | 174 | 37.3 Ų | 37.3 | 66% | 0.657 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -62.3 | -30.4 | 174.8 | -171.3 | 171.3 | -168.6 | 159.7 | 6.3 | 112.9 | L332 W335 | R155-L332 HydrophobicContact CG-CD2 4.23Å; R155-W335 PolarHBondContact O-NE1 3.05Å |
| 156 | A | 89.4 | Confident | 92.6 | Very high | 68 Ų | 68 | 35.9 Ų | 35.9 | 56% | 0.562 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -83.8 | -21 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S154 | S154-A156 PolarHBondContact O-N 2.77Å; S154-A156 PolarHBondContact OG-N 3.26Å |
| 157 | Q | 93.6 | Very high | 93.1 | Very high | 44 Ų | 44 | 34.7 Ų | 34.7 | 21% | 0.206 | 21% | 0.207 | C | C | . | . | trans | -92.8 | 131.8 | 179.6 | -71.4 | 157.9 | -48.5 | 0 | 0 | 110.9 | L153 S154 V234 M235 E236 W335 H336 | L153-Q157 HydrophobicContact CB-CB 4.22Å; L153-Q157 HydrophobicContact CD2-CB 4.15Å; S154-Q157 VanDerWaalsContact CB-OE1 3.27Å; S154-Q157 PolarHBondContact O-N 2.95Å; S154-Q157 PolarHBondContact OG-N 3.32Å; S154-Q157 PolarHBondContact OG-OE1 3.28Å; Q157-V234 HydrophobicContact CB-CG1 3.84Å; Q157-V234 HydrophobicContact CG-CG1 4.2Å; Q157-M235 WeakPolarHBondContact CA-O 3.22Å; Q157-E236 HydrophobicContact CG-CG 4.36Å; Q157-E236 PolarHBondContact NE2-OE1 3.49Å; Q157-W335 VanDerWaalsContact O-CD1 3.29Å; Q157-W335 PolarHBondContact O-NE1 3.14Å; Q157-H336 PolarHBondContact O-CD2 2.87Å; Q157-H336 PolarHBondContact O-NE2 2.87Å | ||
| 158 | G | 94.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 141.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | M235 W335 | G158-M235 PolarHBondContact N-O 3.47Å; G158-M235 PolarHBondContact O-N 2.92Å; G158-W335 WeakPolarHBondContact CA-O 3.42Å |
| 159 | L | 96.8 | Very high | 94 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 123.9 | 174.5 | -168.8 | 64.6 | 0 | 0 | 0 | 109.1 | L147 A150 L153 S161 V234 K245 N271 W335 H336 | L147-L159 HydrophobicContact CD2-CD2 3.62Å; A150-L159 HydrophobicContact CB-CD2 4.29Å; L153-L159 HydrophobicContact CD1-CB 3.89Å; L159-S161 WeakPolarHBondContact CG-O 3.3Å; L159-V234 HydrophobicContact CD1-CG2 4.47Å; L159-K245 PolarHBondContact O-NZ 2.83Å; L159-N271 PolarHBondContact O-ND2 2.67Å; L159-W335 PolarHBondContact N-O 2.84Å; L159-W335 VanDerWaalsContact N-O 3.14Å; L159-H336 WeakPolarHBondContact CB-O 3.42Å |
| 160 | V | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -120 | -7 | -173.7 | -68.6 | 0 | 0 | 0 | 0 | 114.6 | H183 C184 A185 C233 M235 K245 | V160-H183 CarbonylContact O-C 3.55Å; V160-H183 WeakPolarHBondContact O-CA 3.46Å; V160-H183 WeakPolarHBondContact O-CB 3.38Å; V160-C184 PolarHBondContact O-N 2.56Å; V160-C184 PolarHBondContact O-SG 2.87Å; V160-A185 HydrophobicContact CB-CB 4.21Å; V160-A185 HydrophobicContact CG1-CB 4.02Å; V160-A185 HydrophobicContact CG2-CB 4.25Å; V160-C233 HydrophobicContact CG2-CB 4.21Å; V160-C233 WeakPolarHBondContact CG2-O 3.22Å; V160-C233 PolarHBondContact N-O 3.12Å; V160-M235 HydrophobicContact CG1-CB 3.76Å; V160-M235 HydrophobicContact CG1-CE 3.82Å; V160-M235 HydrophobicContact CG2-CB 4.37Å; V160-K245 HydrophobicContact CG1-CB 4.25Å; V160-K245 HydrophobicContact CG1-CD 4.18Å | ||
| 161 | S | 96.8 | Very high | 94.2 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -137.4 | 167.6 | 173.8 | 81.1 | 0 | 0 | 0 | 0 | 110.7 | L159 F181 T232 C233 | L159-S161 WeakPolarHBondContact CG-O 3.3Å; S161-F181 VanDerWaalsContact OG-CE2 3.3Å; S161-F181 WeakPolarHBondContact OG-CE2 3.48Å; S161-T232 PolarHBondContact OG-OG1 3.31Å; S161-C233 PolarHBondContact N-O 2.77Å; S161-C233 WeakPolarHBondContact OG-CB 3.42Å; S161-C233 PolarHBondContact OG-N 2.91Å |
| 162 | P | 95 | Very high | 94.2 | Very high | 15 Ų | 15 | 39.5 Ų | 39.5 | 10% | 0.097 | 24% | 0.243 | C | C | . | . | trans | -62.4 | 170 | 165.1 | 26.4 | -35.3 | 0 | 0 | 0 | 112.7 | I122 L143 V164 T232 | I122-P162 HydrophobicContact CD1-CG 4.04Å; L143-P162 HydrophobicContact CD1-CB 3.37Å; L143-P162 HydrophobicContact CD1-CG 4.21Å; P162-V164 HydrophobicContact CB-CG2 4.3Å; P162-V164 HydrophobicContact CG-CG2 3.93Å; P162-T232 WeakPolarHBondContact O-CB 3.33Å; P162-T232 PolarHBondContact O-OG1 3.35Å | ||
| 163 | V | 97.3 | Very high | 94.3 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 127.8 | 158.5 | 173.2 | 0 | 0 | 0 | 0 | 108.1 | V144 A150 W206 L230 | V144-V163 HydrophobicContact CB-CB 4.15Å; V144-V163 HydrophobicContact CB-CG1 4.02Å; V144-V163 HydrophobicContact CG2-CG1 4.17Å; V144-V163 PolarHBondContact N-O 2.78Å; A150-V163 HydrophobicContact CB-CG2 4.01Å; V163-W206 HydrophobicContact CG1-CH2 4.07Å; V163-W206 HydrophobicContact CG1-CZ2 3.9Å; V163-W206 HydrophobicContact CG2-CZ2 4.14Å; V163-L230 HydrophobicContact CG1-CD2 4.12Å |
| 164 | V | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 132 | -177.1 | -170.9 | 0 | 0 | 0 | 0 | 109.2 | I122 L141 I142 P162 L179 F181 L230 Y231 | I122-V164 HydrophobicContact CD1-CG2 3.98Å; I122-V164 HydrophobicContact CG2-CG1 3.77Å; I122-V164 HydrophobicContact CG2-CG2 4.28Å; L141-V164 HydrophobicContact CD1-CG1 3.75Å; I142-V164 CarbonylContact O-C 3.59Å; I142-V164 WeakPolarHBondContact O-CA 3.35Å; I142-V164 WeakPolarHBondContact O-CG1 3.32Å; P162-V164 HydrophobicContact CB-CG2 4.3Å; P162-V164 HydrophobicContact CG-CG2 3.93Å; V164-L179 HydrophobicContact CG1-CD1 4.04Å; V164-F181 HydrophobicContact CG2-CB 4.31Å; V164-F181 HydrophobicContact CG2-CD1 4.15Å; V164-F181 HydrophobicContact CG2-CG 4.27Å; V164-L230 CarbonylContact O-C 3.54Å; V164-L230 WeakPolarHBondContact O-CA 3.48Å; V164-Y231 PolarHBondContact N-O 2.99Å; V164-Y231 PolarHBondContact O-N 2.93Å |
| 165 | A | 97.6 | Very high | 94.6 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 3% | 0.033 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 143.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | I142 L200 S229 L230 | I142-A165 HydrophobicContact CB-CB 4.25Å; I142-A165 HydrophobicContact CD1-CB 4.22Å; I142-A165 WeakPolarHBondContact CD1-O 3.44Å; I142-A165 PolarHBondContact N-O 2.93Å; I142-A165 PolarHBondContact O-N 3.29Å; A165-L200 HydrophobicContact CB-CD1 3.87Å; A165-S229 WeakPolarHBondContact CA-O 3.43Å; A165-L230 HydrophobicContact CB-CD2 4.01Å; A165-L230 HydrophobicContact CB-CG 3.79Å |
| 166 | C | 97.4 | Very high | 95 | Very high | 5 Ų | 5 | 36.9 Ų | 36.9 | 3% | 0.034 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 135.4 | 165.9 | -55.7 | 0 | 0 | 0 | 0 | 108.3 | L124 S140 L225 F228 S229 | L124-C166 HydrophobicContact CD2-CB 4.19Å; S140-C166 WeakPolarHBondContact O-CA 3.1Å; C166-L225 HydrophobicContact CB-CD1 4.32Å; C166-F228 HydrophobicContact CB-CB 3.85Å; C166-F228 HydrophobicContact CB-CD1 3.85Å; C166-F228 HydrophobicContact CB-CD2 3.91Å; C166-F228 HydrophobicContact CB-CE1 4.36Å; C166-F228 HydrophobicContact CB-CE2 4.4Å; C166-F228 HydrophobicContact CB-CG 3.6Å; C166-S229 PolarHBondContact N-O 2.81Å |
| 167 | G | 94.6 | Very high | 95.4 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 6% | 0.062 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 155.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V139 S140 F228 | V139-G167 CarbonylContact C-O 3.52Å; V139-G167 VanDerWaalsContact CA-O 3.32Å; V139-G167 WeakPolarHBondContact CA-O 3.49Å; S140-G167 PolarHBondContact N-O 3Å; S140-G167 PolarHBondContact O-N 3.45Å; S140-G167 WeakPolarHBondContact OG-CA 3.44Å; G167-F228 VanDerWaalsContact O-CD2 3.32Å; G167-F228 WeakPolarHBondContact O-CD2 3.27Å |
| 168 | P | 93.9 | Very high | 95.6 | Very high | 46 Ų | 46 | 33 Ų | 33 | 30% | 0.299 | 20% | 0.198 | S | C | . | . | S | Bend | cis | -70.9 | 153.5 | -4.1 | 25.9 | -31 | 0 | 0 | 0 | 112.8 | R138 A171 F228 | R138-P168 WeakPolarHBondContact O-CD 3.47Å; P168-A171 HydrophobicContact CG-CB 4.09Å; P168-A171 WeakPolarHBondContact O-CB 3.47Å; P168-A171 PolarHBondContact O-N 3.18Å; P168-F228 WeakPolarHBondContact O-CB 3.36Å |
| 169 | H | 94.6 | Very high | 95.8 | Very high | 84 Ų | 84 | 33 Ų | 33 | 39% | 0.389 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 138.3 | -177 | 174.1 | 69.1 | 0 | 0 | 0 | 111.7 | A171 N197 T198 | H169-A171 PolarHBondContact O-N 2.79Å; H169-N197 PolarHBondContact CE1-OD1 2.89Å; H169-N197 VanDerWaalsContact CE1-OD1 3.29Å; H169-T198 PolarHBondContact CE1-N 2.77Å; H169-T198 PolarHBondContact CE1-O 3.42Å; H169-T198 VanDerWaalsContact CE1-O 3.28Å; H169-T198 PolarHBondContact ND1-O 2.78Å; H169-T198 VanDerWaalsContact ND1-O 3.09Å |
| 170 | G | 92.9 | Very high | 95.9 | Very high | 38 Ų | 38 | 33.9 Ų | 33.9 | 39% | 0.392 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | -7.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S172 F228 | G170-S172 PolarHBondContact O-N 3.35Å; G170-F228 PolarHBondContact N-O 3.29Å |
| 171 | A | 92.9 | Very high | 95.9 | Very high | 27 Ų | 27 | 33.9 Ų | 33.9 | 22% | 0.223 | 20% | 0.203 | C | C | . | . | trans | -61 | 129.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P168 H169 F173 H227 F228 | P168-A171 HydrophobicContact CG-CB 4.09Å; P168-A171 WeakPolarHBondContact O-CB 3.47Å; P168-A171 PolarHBondContact O-N 3.18Å; H169-A171 PolarHBondContact O-N 2.79Å; A171-F173 HydrophobicContact CB-CE2 4.31Å; A171-H227 CarbonylContact O-C 3.49Å; A171-H227 WeakPolarHBondContact O-CA 3.37Å; A171-F228 HydrophobicContact CB-CB 4.31Å; A171-F228 HydrophobicContact CB-CD2 4.25Å; A171-F228 HydrophobicContact CB-CG 4.44Å; A171-F228 PolarHBondContact O-N 2.88Å | ||
| 172 | S | 93.6 | Very high | 95.9 | Very high | 90 Ų | 90 | 36 Ų | 36 | 63% | 0.629 | 21% | 0.212 | S | C | * | . | trans | -121.7 | 152.3 | -178.9 | 60.9 | 0 | 0 | 0 | 0 | 111.1 | G170 S226 | G170-S172 PolarHBondContact O-N 3.35Å; S172-S226 WeakPolarHBondContact CB-O 3.44Å | ||
| 173 | F | 93.3 | Very high | 96 | Very high | 36 Ų | 36 | 35.4 Ų | 35.4 | 16% | 0.158 | 21% | 0.208 | C | C | . | . | trans | -127.6 | 154.8 | -170.2 | -66.8 | -93.6 | 0 | 0 | 0 | 110.7 | I126 A130 V131 E137 V139 A171 K175 F228 | I126-F173 HydrophobicContact CG2-CD1 4.34Å; I126-F173 HydrophobicContact CG2-CE1 4.39Å; A130-F173 HydrophobicContact CB-CB 4.11Å; A130-F173 HydrophobicContact CB-CD1 4.26Å; V131-F173 HydrophobicContact CG2-CD1 3.89Å; V131-F173 HydrophobicContact CG2-CE1 3.82Å; E137-F173 HydrophobicContact CB-CE1 4.32Å; E137-F173 HydrophobicContact CG-CE1 4.34Å; V139-F173 HydrophobicContact CG1-CE1 4.41Å; V139-F173 HydrophobicContact CG1-CZ 3.8Å; A171-F173 HydrophobicContact CB-CE2 4.31Å; F173-K175 WeakPolarHBondContact CB-O 3.46Å; F173-K175 PolarHBondContact O-N 2.86Å; F173-K175 VanDerWaalsContact O-N 3.1Å; F173-F228 HydrophobicContact CD2-CE1 4.05Å; F173-F228 HydrophobicContact CD2-CZ 4.18Å; F173-F228 AromaticContact CE2-CD1 4Å; F173-F228 HydrophobicContact CE2-CD1 4Å; F173-F228 AromaticContact CE2-CD2 3.98Å; F173-F228 HydrophobicContact CE2-CD2 3.98Å; F173-F228 AromaticContact CE2-CE1 3.56Å; F173-F228 HydrophobicContact CE2-CE1 3.56Å; F173-F228 AromaticContact CE2-CE2 3.56Å; F173-F228 HydrophobicContact CE2-CE2 3.56Å; F173-F228 HydrophobicContact CE2-CG 4.2Å; F173-F228 AromaticContact CE2-CZ 3.32Å; F173-F228 HydrophobicContact CE2-CZ 3.32Å; F173-F228 HydrophobicContact CZ-CD2 4.46Å; F173-F228 HydrophobicContact CZ-CE1 4.42Å; F173-F228 AromaticContact CZ-CE2 3.78Å; F173-F228 HydrophobicContact CZ-CE2 3.78Å; F173-F228 AromaticContact CZ-CZ 3.75Å; F173-F228 HydrophobicContact CZ-CZ 3.75Å | ||
| 174 | L | 94.9 | Very high | 96 | Very high | 126 Ų | 126 | 35.4 Ų | 35.4 | 66% | 0.66 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -62.7 | -18 | 179.6 | -61.6 | -177.8 | 0 | 0 | 0 | 113.6 | A130 T132 | A130-L174 WeakPolarHBondContact O-CB 3.47Å; A130-L174 PolarHBondContact O-N 3.44Å; T132-L174 HydrophobicContact CG2-CD1 3.73Å |
| 175 | K | 94.9 | Very high | 96 | Very high | 100 Ų | 100 | 35.4 Ų | 35.4 | 44% | 0.435 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -136.5 | 142.2 | 175.1 | -61.6 | -178.6 | -173.7 | 179.9 | 0 | 108 | P127 P128 A130 F173 C177 | P127-K175 HydrophobicContact CG-CB 3.95Å; P128-K175 WeakPolarHBondContact O-CD 3.46Å; P128-K175 WeakPolarHBondContact O-CE 3.4Å; P128-K175 PolarHBondContact O-NZ 2.9Å; A130-K175 HydrophobicContact CB-CB 4.2Å; F173-K175 WeakPolarHBondContact CB-O 3.46Å; F173-K175 PolarHBondContact O-N 2.86Å; F173-K175 VanDerWaalsContact O-N 3.1Å; K175-C177 PolarHBondContact O-N 2.85Å |
| 176 | P | 95.6 | Very high | 95.8 | Very high | 76 Ų | 76 | 38.4 Ų | 38.4 | 49% | 0.494 | 22% | 0.221 | S | C | . | . | trans | -61.8 | 137.3 | 179 | 26.5 | -34.4 | 0 | 0 | 0 | 110.6 | P127 H224 L225 | P127-P176 WeakPolarHBondContact CG-O 3.28Å; P176-H224 HydrophobicContact CB-CB 4.38Å; P176-L225 VanDerWaalsContact CA-O 3.25Å; P176-L225 WeakPolarHBondContact CA-O 3.34Å; P176-L225 WeakPolarHBondContact CB-O 3.47Å | ||
| 177 | C | 97.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.007 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 156.5 | 173.4 | -60.5 | 0 | 0 | 0 | 0 | 109.7 | L124 L125 I126 K175 H224 L225 F228 | L124-C177 HydrophobicContact CD1-CB 4.19Å; L125-C177 CarbonylContact O-C 3.57Å; L125-C177 WeakPolarHBondContact O-CA 3.36Å; L125-C177 WeakPolarHBondContact O-CB 3.26Å; I126-C177 HydrophobicContact CG1-CB 4.4Å; K175-C177 PolarHBondContact O-N 2.85Å; C177-H224 CarbonylContact O-C 3.49Å; C177-H224 WeakPolarHBondContact O-CA 3.29Å; C177-L225 HydrophobicContact CB-CB 4.4Å; C177-L225 PolarHBondContact N-O 3.31Å; C177-L225 PolarHBondContact O-N 3.05Å; C177-F228 HydrophobicContact CB-CE1 4.01Å |
| 178 | T | 98.1 | Very high | 95.7 | Very high | 29 Ų | 29 | 44.1 Ų | 44.1 | 18% | 0.178 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 112.4 | 177.7 | -52 | 0 | 0 | 0 | 0 | 109.9 | L125 I223 H224 | L125-T178 PolarHBondContact N-O 2.74Å; L125-T178 PolarHBondContact O-N 2.65Å; T178-I223 WeakPolarHBondContact CA-O 3.42Å; T178-H224 PolarHBondContact OG1-CD2 3.11Å |
| 179 | L | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 130.3 | 169.1 | 173.6 | 64 | 0 | 0 | 0 | 109.3 | I122 L124 L141 V164 F181 R222 I223 L225 Y231 | I122-L179 HydrophobicContact CG2-CD1 4.45Å; L124-L179 HydrophobicContact CD1-CB 4.34Å; L141-L179 HydrophobicContact CD1-CD1 4Å; V164-L179 HydrophobicContact CG1-CD1 4.04Å; L179-F181 HydrophobicContact CD1-CD1 4.5Å; L179-F181 HydrophobicContact CD2-CD1 4.12Å; L179-F181 HydrophobicContact CD2-CE1 4.03Å; L179-F181 HydrophobicContact CG-CD1 4.01Å; L179-F181 HydrophobicContact CG-CE1 4.3Å; L179-R222 CarbonylContact O-C 3.52Å; L179-R222 WeakPolarHBondContact O-CA 3.47Å; L179-I223 PolarHBondContact N-O 2.86Å; L179-I223 PolarHBondContact O-N 2.86Å; L179-L225 HydrophobicContact CB-CD1 3.99Å; L179-L225 HydrophobicContact CB-CD2 4.06Å; L179-L225 HydrophobicContact CB-CG 4.05Å; L179-L225 HydrophobicContact CD2-CD2 4.49Å; L179-Y231 HydrophobicContact CD2-CD2 3.47Å; L179-Y231 VanDerWaalsContact CD2-CD2 3.47Å; L179-Y231 HydrophobicContact CD2-CE2 4.32Å; L179-Y231 HydrophobicContact CD2-CG 3.77Å |
| 180 | T | 98.3 | Very high | 95.7 | Very high | 22 Ų | 22 | 41.4 Ų | 41.4 | 14% | 0.135 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 134.5 | 175.4 | -55.9 | 0 | 0 | 0 | 0 | 110.4 | I122 S123 E220 C221 R222 | I122-T180 WeakPolarHBondContact CA-O 3.46Å; S123-T180 PolarHBondContact N-O 3.39Å; S123-T180 PolarHBondContact O-N 3.4Å; T180-E220 HydrophobicContact CG2-CB 4.47Å; T180-E220 HydrophobicContact CG2-CG 4.22Å; T180-E220 WeakPolarHBondContact CG2-OE2 3.02Å; T180-C221 VanDerWaalsContact CA-O 3.32Å; T180-C221 WeakPolarHBondContact CA-O 3.38Å; T180-R222 HydrophobicContact CG2-CG 3.91Å |
| 181 | F | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 152 | 171.6 | 54.2 | -100.1 | 0 | 0 | 0 | 111.9 | I122 S161 V164 L179 E220 C221 I223 C233 | I122-F181 HydrophobicContact CG1-CB 4.05Å; I122-F181 HydrophobicContact CG2-CB 4.27Å; S161-F181 VanDerWaalsContact OG-CE2 3.3Å; S161-F181 WeakPolarHBondContact OG-CE2 3.48Å; V164-F181 HydrophobicContact CG2-CB 4.31Å; V164-F181 HydrophobicContact CG2-CD1 4.15Å; V164-F181 HydrophobicContact CG2-CG 4.27Å; L179-F181 HydrophobicContact CD1-CD1 4.5Å; L179-F181 HydrophobicContact CD2-CD1 4.12Å; L179-F181 HydrophobicContact CD2-CE1 4.03Å; L179-F181 HydrophobicContact CG-CD1 4.01Å; L179-F181 HydrophobicContact CG-CE1 4.3Å; F181-E220 WeakPolarHBondContact O-CA 3.21Å; F181-C221 HydrophobicContact CD2-CB 3.87Å; F181-C221 HydrophobicContact CE1-CB 4.33Å; F181-C221 HydrophobicContact CE2-CB 3.42Å; F181-C221 VanDerWaalsContact CE2-CB 3.42Å; F181-C221 HydrophobicContact CZ-CB 3.68Å; F181-C221 PolarHBondContact N-O 3.39Å; F181-C221 PolarHBondContact O-N 2.84Å; F181-I223 HydrophobicContact CE1-CD1 3.76Å; F181-I223 HydrophobicContact CE1-CG1 4.42Å; F181-I223 HydrophobicContact CZ-CD1 3.98Å; F181-C233 HydrophobicContact CE2-CB 3.98Å; F181-C233 HydrophobicContact CZ-CB 4.44Å |
| 182 | K | 97.6 | Very high | 96 | Very high | 47 Ų | 47 | 40.7 Ų | 40.7 | 20% | 0.204 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 150 | 177.8 | -64.8 | -66 | -176.5 | -175.1 | 0 | 113.1 | G121 D219 E220 T273 P274 | G121-K182 PolarHBondContact O-N 3.5Å; K182-D219 CarbonylContact C-O 3.55Å; K182-D219 VanDerWaalsContact CA-O 3.22Å; K182-D219 WeakPolarHBondContact CA-O 3.07Å; K182-D219 VanDerWaalsContact CD-O 3.28Å; K182-D219 WeakPolarHBondContact CD-O 3.32Å; K182-D219 IonicContact NZ-OD2 2.68Å; K182-D219 PolarHBondContact NZ-OD2 3.4Å; K182-E220 HydrophobicContact CD-CG 3.71Å; K182-E220 IonicContact NZ-OE1 2.67Å; K182-E220 PolarHBondContact NZ-OE1 2.76Å; K182-T273 HydrophobicContact CB-CG2 4.11Å; K182-P274 HydrophobicContact CG-CG 4.2Å |
| 183 | H | 96.8 | Very high | 96.2 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.019 | 19% | 0.19 | C | C | . | . | trans | -140.6 | 159.6 | 169.2 | 67.6 | 65.3 | 0 | 0 | 0 | 113 | V160 S217 D219 E220 C221 | V160-H183 CarbonylContact O-C 3.55Å; V160-H183 WeakPolarHBondContact O-CA 3.46Å; V160-H183 WeakPolarHBondContact O-CB 3.38Å; H183-S217 PolarHBondContact CE1-O 2.55Å; H183-S217 PolarHBondContact NE2-O 3.47Å; H183-S217 VanDerWaalsContact NE2-O 3.15Å; H183-D219 PolarHBondContact N-O 3.08Å; H183-E220 PolarHBondContact NE2-N 3.41Å; H183-E220 PolarHBondContact NE2-O 2.87Å; H183-C221 PolarHBondContact CD2-N 3.48Å; H183-C221 PolarHBondContact CD2-SG 2.87Å | ||
| 184 | C | 97.2 | Very high | 96.4 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | trans | -110.1 | 4.5 | -176 | 69.4 | 0 | 0 | 0 | 0 | 116.3 | V160 Q186 K245 W246 N271 N272 T273 | V160-C184 PolarHBondContact O-N 2.56Å; V160-C184 PolarHBondContact O-SG 2.87Å; C184-Q186 PolarHBondContact O-N 2.92Å; C184-K245 CarbonylContact O-C 3.49Å; C184-K245 WeakPolarHBondContact O-CA 3.28Å; C184-K245 WeakPolarHBondContact O-CB 3.35Å; C184-W246 VanDerWaalsContact CB-O 3.23Å; C184-W246 WeakPolarHBondContact CB-O 3.32Å; C184-W246 PolarHBondContact O-N 2.99Å; C184-N271 HydrophobicContact CB-CB 4.45Å; C184-N271 PolarHBondContact SG-OD1 2.82Å; C184-N272 HydrophobicContact CB-CB 3.96Å; C184-T273 HydrophobicContact CB-CG2 4.29Å | ||
| 185 | A | 96.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | B | Isolated β-bridge | trans | -54.4 | 131.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V160 A191 M235 | V160-A185 HydrophobicContact CB-CB 4.21Å; V160-A185 HydrophobicContact CG1-CB 4.02Å; V160-A185 HydrophobicContact CG2-CB 4.25Å; A185-A191 HydrophobicContact CB-CB 3.91Å; A185-M235 HydrophobicContact CB-SD 4.27Å |
| 186 | Q | 95.1 | Very high | 96.6 | Very high | 66 Ų | 66 | 26.2 Ų | 26.2 | 31% | 0.308 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -66.9 | -40 | -179.6 | 177.4 | -178 | 80.4 | 0 | 0 | 111.8 | C184 R244 W246 D299 | C184-Q186 PolarHBondContact O-N 2.92Å; Q186-R244 HydrophobicContact CB-CB 4.01Å; Q186-R244 VanDerWaalsContact CB-O 3.26Å; Q186-R244 WeakPolarHBondContact CB-O 3.28Å; Q186-R244 PolarHBondContact N-O 3.47Å; Q186-W246 HydrophobicContact CG-CZ2 4.02Å; Q186-D299 PolarHBondContact NE2-OD1 3.07Å; Q186-D299 PolarHBondContact NE2-OD2 3.06Å |
| 187 | Q | 94.8 | Very high | 96.6 | Very high | 94 Ų | 94 | 27.1 Ų | 27.1 | 44% | 0.439 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -117.1 | 107.3 | -177.8 | 177.3 | 157 | 6.9 | 0 | 0 | 109.8 | S189 H190 | Q187-S189 VanDerWaalsContact CG-OG 3.26Å; Q187-S189 WeakPolarHBondContact CG-OG 3.37Å; Q187-S189 PolarHBondContact NE2-OG 3.15Å; Q187-S189 VanDerWaalsContact NE2-OG 3.07Å; Q187-S189 PolarHBondContact O-N 3.15Å; Q187-S189 VanDerWaalsContact O-N 3.15Å; Q187-H190 VanDerWaalsContact CD-CE1 3.42Å; Q187-H190 PolarHBondContact O-N 3.37Å; Q187-H190 PolarHBondContact OE1-CE1 3.41Å; Q187-H190 VanDerWaalsContact OE1-CE1 3.23Å |
| 188 | P | 94.3 | Very high | 96.5 | Very high | 37 Ų | 37 | 27.9 Ų | 27.9 | 24% | 0.24 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -58.5 | -29.5 | -174.6 | -29.7 | 37.4 | 0 | 0 | 0 | 114.8 | H190 A191 G213 A216 S217 | P188-H190 PolarHBondContact O-N 3.12Å; P188-H190 VanDerWaalsContact O-N 3.12Å; P188-A191 WeakPolarHBondContact O-CB 3.45Å; P188-A191 PolarHBondContact O-N 3.39Å; P188-G213 WeakPolarHBondContact O-CA 3.32Å; P188-A216 HydrophobicContact CB-CB 4.15Å; P188-S217 WeakPolarHBondContact CB-O 3.45Å; P188-S217 WeakPolarHBondContact CG-O 3.04Å |
| 189 | S | 94.3 | Very high | 96.2 | Very high | 61 Ų | 61 | 27.5 Ų | 27.5 | 43% | 0.427 | 15% | 0.147 | S | C | . | . | G | 310 helix | trans | -65.6 | -11.1 | 175.3 | 59.1 | 0 | 0 | 0 | 0 | 114.3 | Q187 P212 | Q187-S189 VanDerWaalsContact CG-OG 3.26Å; Q187-S189 WeakPolarHBondContact CG-OG 3.37Å; Q187-S189 PolarHBondContact NE2-OG 3.15Å; Q187-S189 VanDerWaalsContact NE2-OG 3.07Å; Q187-S189 PolarHBondContact O-N 3.15Å; Q187-S189 VanDerWaalsContact O-N 3.15Å; S189-P212 VanDerWaalsContact O-CB 3.27Å; S189-P212 WeakPolarHBondContact O-CB 3.18Å |
| 190 | H | 94.6 | Very high | 95.8 | Very high | 13 Ų | 13 | 28.1 Ų | 28.1 | 6% | 0.06 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -99.4 | -7 | 171 | -54.2 | 155.4 | 0 | 0 | 0 | 112.4 | Q187 P188 M235 E236 P238 | Q187-H190 VanDerWaalsContact CD-CE1 3.42Å; Q187-H190 PolarHBondContact O-N 3.37Å; Q187-H190 PolarHBondContact OE1-CE1 3.41Å; Q187-H190 VanDerWaalsContact OE1-CE1 3.23Å; P188-H190 PolarHBondContact O-N 3.12Å; P188-H190 VanDerWaalsContact O-N 3.12Å; H190-M235 HydrophobicContact CB-CG 4.08Å; H190-M235 CarbonylContact O-C 3.58Å; H190-M235 WeakPolarHBondContact O-CA 3.46Å; H190-E236 PolarHBondContact O-N 3.42Å; H190-P238 VanDerWaalsContact CD2-CD 3.41Å; H190-P238 WeakPolarHBondContact CD2-CD 3.4Å |
| 191 | A | 95.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 2% | 0.017 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 119.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | A185 P188 G213 A216 | A185-A191 HydrophobicContact CB-CB 3.91Å; P188-A191 WeakPolarHBondContact O-CB 3.45Å; P188-A191 PolarHBondContact O-N 3.39Å; A191-G213 PolarHBondContact O-N 2.97Å; A191-A216 HydrophobicContact CB-CB 3.8Å |
| 192 | R | 96.6 | Very high | 95.1 | Very high | 48 Ų | 48 | 32.8 Ų | 32.8 | 18% | 0.181 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 123.1 | -179 | -168.3 | 179.8 | -154.2 | 157.1 | 8.9 | 111 | Y194 G210 P212 C233 V234 E236 | R192-Y194 HydrophobicContact CB-CE2 4.17Å; R192-Y194 HydrophobicContact CG-CE2 4.02Å; R192-Y194 WeakPolarHBondContact O-CD2 3.48Å; R192-G210 PolarHBondContact NE-O 2.82Å; R192-G210 PolarHBondContact NH2-O 3.02Å; R192-G210 VanDerWaalsContact NH2-O 3.17Å; R192-P212 HydrophobicContact CB-CB 4.48Å; R192-P212 HydrophobicContact CB-CG 4.44Å; R192-P212 HydrophobicContact CG-CG 4.42Å; R192-C233 VanDerWaalsContact C-SG 3.55Å; R192-C233 WeakPolarHBondContact O-CA 3.32Å; R192-C233 PolarHBondContact O-SG 2.78Å; R192-V234 PolarHBondContact N-O 3.36Å; R192-V234 PolarHBondContact O-N 2.71Å; R192-E236 HydrophobicContact CB-CG 4.3Å; R192-E236 WeakPolarHBondContact CD-OE2 3.47Å; R192-E236 IonicContact CZ-OE2 3.07Å; R192-E236 IonicContact NE-OE2 3.85Å; R192-E236 IonicContact NH1-OE2 3.87Å; R192-E236 PolarHBondContact NH1-OE2 3.05Å |
| 193 | T | 97.4 | Very high | 94.7 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 143.9 | 173.3 | 41.5 | 0 | 0 | 0 | 0 | 112 | L209 H215 C221 I223 T232 | T193-L209 PolarHBondContact O-N 2.9Å; T193-L209 PolarHBondContact OG1-O 3.27Å; T193-H215 HydrophobicContact CG2-CB 3.78Å; T193-H215 PolarHBondContact OG1-ND1 3.02Å; T193-C221 HydrophobicContact CG2-CB 4.37Å; T193-I223 HydrophobicContact CG2-CD1 3.69Å; T193-I223 HydrophobicContact CG2-CG1 4.04Å; T193-T232 CarbonylContact C-O 3.52Å; T193-T232 VanDerWaalsContact CA-O 3.3Å; T193-T232 WeakPolarHBondContact CA-O 3.12Å |
| 194 | Y | 97.7 | Very high | 94.5 | Very high | 26 Ų | 26 | 36.2 Ų | 36.2 | 10% | 0.102 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 153.9 | 172.5 | -78.3 | -107.7 | 0 | 0 | 0 | 109.7 | R192 W206 R207 P208 Y231 T232 V234 E236 | R192-Y194 HydrophobicContact CB-CE2 4.17Å; R192-Y194 HydrophobicContact CG-CE2 4.02Å; R192-Y194 WeakPolarHBondContact O-CD2 3.48Å; Y194-W206 HydrophobicContact CD1-CB 4.33Å; Y194-R207 CarbonylContact C-O 3.58Å; Y194-R207 VanDerWaalsContact CA-O 3.27Å; Y194-R207 WeakPolarHBondContact CA-O 3.34Å; Y194-R207 WeakPolarHBondContact CD1-O 3.38Å; Y194-P208 HydrophobicContact CD1-CB 4.38Å; Y194-P208 HydrophobicContact CE1-CB 3.89Å; Y194-P208 HydrophobicContact CE1-CG 4.45Å; Y194-Y231 WeakPolarHBondContact O-CA 3.38Å; Y194-T232 PolarHBondContact N-O 3.08Å; Y194-T232 PolarHBondContact O-N 3.4Å; Y194-T232 VanDerWaalsContact O-N 3.09Å; Y194-V234 HydrophobicContact CD2-CB 4.09Å; Y194-V234 HydrophobicContact CD2-CG2 3.98Å; Y194-V234 HydrophobicContact CE2-CB 3.96Å; Y194-V234 HydrophobicContact CE2-CG2 4.23Å; Y194-E236 VanDerWaalsContact OH-CD 3.32Å; Y194-E236 PolarHBondContact OH-OE1 3.17Å; Y194-E236 VanDerWaalsContact OH-OE1 3.07Å; Y194-E236 PolarHBondContact OH-OE2 3.1Å |
| 195 | S | 97.5 | Very high | 94.5 | Very high | 20 Ų | 20 | 40 Ų | 40 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 150.1 | 168.4 | 61.2 | 0 | 0 | 0 | 0 | 112.1 | W206 R207 L230 | S195-W206 CarbonylContact O-C 3.55Å; S195-W206 WeakPolarHBondContact O-CA 3.26Å; S195-R207 PolarHBondContact N-O 2.78Å; S195-R207 PolarHBondContact O-N 3.49Å; S195-L230 CarbonylContact C-O 3.57Å; S195-L230 WeakPolarHBondContact CA-O 3.46Å; S195-L230 WeakPolarHBondContact CB-O 3.3Å |
| 196 | S | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 109.5 | 172.6 | 178.1 | 0 | 0 | 0 | 0 | 109.2 | T198 V205 S229 L230 | S196-T198 VanDerWaalsContact C-N 3.29Å; S196-T198 PolarHBondContact O-N 3.22Å; S196-T198 PolarHBondContact OG-OG1 2.97Å; S196-V205 PolarHBondContact OG-N 2.89Å; S196-S229 PolarHBondContact O-OG 3.23Å; S196-L230 PolarHBondContact N-O 2.89Å; S196-L230 PolarHBondContact O-N 3.27Å |
| 197 | N | 95.6 | Very high | 94.6 | Very high | 95 Ų | 95 | 47 Ų | 47 | 51% | 0.508 | 25% | 0.252 | S | S | . | . | trans | -86.8 | 72.9 | 179.8 | -162.5 | 61.4 | 0 | 0 | 0 | 111.3 | H169 H227 S229 | H169-N197 PolarHBondContact CE1-OD1 2.89Å; H169-N197 VanDerWaalsContact CE1-OD1 3.29Å; N197-H227 PolarHBondContact OD1-CD2 3.08Å; N197-H227 VanDerWaalsContact OD1-CD2 3.31Å; N197-H227 PolarHBondContact OD1-NE2 3.32Å; N197-S229 WeakPolarHBondContact CA-OG 3.49Å; N197-S229 PolarHBondContact OD1-OG 2.97Å | ||
| 198 | T | 94.1 | Very high | 94.7 | Very high | 17 Ų | 17 | 45.9 Ų | 45.9 | 10% | 0.104 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -142.1 | 161.3 | -176.5 | 56.1 | 0 | 0 | 0 | 0 | 108.2 | H169 S196 K204 V205 L230 | H169-T198 PolarHBondContact CE1-N 2.77Å; H169-T198 PolarHBondContact CE1-O 3.42Å; H169-T198 VanDerWaalsContact CE1-O 3.28Å; H169-T198 PolarHBondContact ND1-O 2.78Å; H169-T198 VanDerWaalsContact ND1-O 3.09Å; S196-T198 VanDerWaalsContact C-N 3.29Å; S196-T198 PolarHBondContact O-N 3.22Å; S196-T198 PolarHBondContact OG-OG1 2.97Å; T198-K204 VanDerWaalsContact OG1-CD 3.25Å; T198-K204 WeakPolarHBondContact OG1-CD 3.22Å; T198-V205 HydrophobicContact CG2-CB 4.16Å; T198-V205 HydrophobicContact CG2-CG2 4.13Å; T198-L230 WeakPolarHBondContact O-CD1 3.35Å |
| 199 | A | 91.6 | Very high | 94.7 | Very high | 20 Ų | 20 | 46.5 Ų | 46.5 | 17% | 0.165 | 25% | 0.254 | C | S | . | . | trans | -68.5 | 168.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L201 D202 K204 | A199-L201 VanDerWaalsContact C-N 3.27Å; A199-L201 PolarHBondContact O-N 2.87Å; A199-D202 WeakPolarHBondContact CA-OD2 3.42Å; A199-D202 HydrophobicContact CB-CB 4.47Å; A199-D202 WeakPolarHBondContact CB-OD2 3.37Å; A199-D202 PolarHBondContact N-OD2 3.3Å; A199-D202 PolarHBondContact O-N 3.03Å; A199-K204 WeakPolarHBondContact O-CE 3.24Å | ||
| 200 | L | 91.6 | Very high | 94.5 | Very high | 14 Ų | 14 | 45.6 Ų | 45.6 | 7% | 0.073 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -59.5 | -34.5 | -177.6 | 179.3 | 58.5 | 0 | 0 | 0 | 113 | F79 L83 I142 V144 A165 K204 L230 | F79-L200 HydrophobicContact CE1-CD2 3.99Å; F79-L200 HydrophobicContact CZ-CD2 4.27Å; L83-L200 HydrophobicContact CD2-CD2 3.87Å; I142-L200 HydrophobicContact CG1-CD2 4.3Å; I142-L200 HydrophobicContact CG2-CD1 4.44Å; I142-L200 HydrophobicContact CG2-CD2 4.42Å; V144-L200 HydrophobicContact CG2-CD1 3.96Å; A165-L200 HydrophobicContact CB-CD1 3.87Å; L200-K204 WeakPolarHBondContact O-CE 3.23Å; L200-K204 PolarHBondContact O-NZ 3.19Å; L200-L230 HydrophobicContact CD1-CD2 4.45Å |
| 201 | L | 90.3 | Very high | 94.4 | Very high | 32 Ų | 32 | 51.2 Ų | 51.2 | 17% | 0.168 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -99.9 | -16.8 | -175.9 | -55.6 | -178.1 | 0 | 0 | 0 | 113.8 | M76 Y80 L96 A199 | M76-L201 HydrophobicContact CE-CB 4.24Å; M76-L201 HydrophobicContact CE-CD1 3.65Å; M76-L201 HydrophobicContact CG-CD1 4.36Å; Y80-L201 HydrophobicContact CE2-CD1 3.78Å; Y80-L201 HydrophobicContact CE2-CG 4.37Å; L96-L201 HydrophobicContact CD2-CD1 3.67Å; L96-L201 HydrophobicContact CD2-CD2 3.81Å; L96-L201 HydrophobicContact CD2-CG 4.43Å; A199-L201 VanDerWaalsContact C-N 3.27Å; A199-L201 PolarHBondContact O-N 2.87Å |
| 202 | D | 89.9 | Confident | 94.2 | Very high | 87 Ų | 87 | 53.5 Ų | 53.5 | 47% | 0.465 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -64.4 | 163.6 | 179.6 | -60 | -14.8 | 0 | 0 | 0 | 113.2 | A199 K204 | A199-D202 WeakPolarHBondContact CA-OD2 3.42Å; A199-D202 HydrophobicContact CB-CB 4.47Å; A199-D202 WeakPolarHBondContact CB-OD2 3.37Å; A199-D202 PolarHBondContact N-OD2 3.3Å; A199-D202 PolarHBondContact O-N 3.03Å; D202-K204 WeakPolarHBondContact O-CD 3.15Å; D202-K204 PolarHBondContact O-N 3.49Å; D202-K204 PolarHBondContact O-NZ 3.21Å |
| 203 | A | 89.1 | Confident | 94 | Very high | 89 Ų | 89 | 52.3 Ų | 52.3 | 74% | 0.736 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 128.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 204 | K | 94.3 | Very high | 93.9 | Very high | 34 Ų | 34 | 55.2 Ų | 55.2 | 15% | 0.148 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -82.3 | 139.1 | -171.2 | -53.2 | -55.3 | -174.5 | -66.1 | 0 | 112.7 | D149 T198 A199 L200 D202 L230 | D149-K204 HydrophobicContact CB-CG 4.03Å; D149-K204 WeakPolarHBondContact OD1-CG 3.48Å; D149-K204 IonicContact OD1-NZ 3.8Å; D149-K204 PolarHBondContact OD1-NZ 2.87Å; D149-K204 IonicContact OD2-NZ 3.78Å; D149-K204 PolarHBondContact OD2-NZ 2.95Å; T198-K204 VanDerWaalsContact OG1-CD 3.25Å; T198-K204 WeakPolarHBondContact OG1-CD 3.22Å; A199-K204 WeakPolarHBondContact O-CE 3.24Å; L200-K204 WeakPolarHBondContact O-CE 3.23Å; L200-K204 PolarHBondContact O-NZ 3.19Å; D202-K204 WeakPolarHBondContact O-CD 3.15Å; D202-K204 PolarHBondContact O-N 3.49Å; D202-K204 PolarHBondContact O-NZ 3.21Å; K204-L230 HydrophobicContact CD-CD1 4.01Å; K204-L230 HydrophobicContact CD-CD2 4.03Å |
| 205 | V | 95.8 | Very high | 93.8 | Very high | 82 Ų | 82 | 56.2 Ų | 56.2 | 50% | 0.497 | 33% | 0.327 | S | S | . | . | trans | -124 | 79.7 | -179.6 | -175 | 0 | 0 | 0 | 0 | 109.3 | S196 T198 | S196-V205 PolarHBondContact OG-N 2.89Å; T198-V205 HydrophobicContact CG2-CB 4.16Å; T198-V205 HydrophobicContact CG2-CG2 4.13Å | ||
| 206 | W | 97.3 | Very high | 93.6 | Very high | 41 Ų | 41 | 56.1 Ų | 56.1 | 16% | 0.155 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 134.9 | -175.4 | -68.9 | 103.7 | 0 | 0 | 0 | 113.5 | D149 P151 V163 Y194 S195 L230 T232 | D149-W206 VanDerWaalsContact O-CE2 3.28Å; D149-W206 VanDerWaalsContact O-CZ2 3.25Å; D149-W206 WeakPolarHBondContact O-CZ2 3.46Å; D149-W206 PolarHBondContact O-NE1 3.14Å; P151-W206 HydrophobicContact CB-CB 4.18Å; P151-W206 HydrophobicContact CB-CG 3.99Å; P151-W206 HydrophobicContact CG-CB 4.23Å; P151-W206 HydrophobicContact CG-CD2 3.78Å; P151-W206 HydrophobicContact CG-CE3 4.36Å; P151-W206 HydrophobicContact CG-CG 3.71Å; V163-W206 HydrophobicContact CG1-CH2 4.07Å; V163-W206 HydrophobicContact CG1-CZ2 3.9Å; V163-W206 HydrophobicContact CG2-CZ2 4.14Å; Y194-W206 HydrophobicContact CD1-CB 4.33Å; S195-W206 CarbonylContact O-C 3.55Å; S195-W206 WeakPolarHBondContact O-CA 3.26Å; W206-L230 HydrophobicContact CH2-CB 3.86Å; W206-L230 HydrophobicContact CZ2-CB 4.4Å; W206-L230 HydrophobicContact CZ3-CB 4.41Å; W206-T232 HydrophobicContact CD2-CG2 4.49Å; W206-T232 HydrophobicContact CE3-CG2 4.07Å; W206-T232 HydrophobicContact CH2-CG2 3.71Å; W206-T232 HydrophobicContact CZ2-CG2 4.17Å; W206-T232 HydrophobicContact CZ3-CG2 3.66Å |
| 207 | R | 96.7 | Very high | 93.4 | Very high | 174 Ų | 174 | 58.7 Ų | 58.7 | 66% | 0.657 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 145.1 | 175.6 | -61.8 | -177 | -177.9 | -123.6 | -0.9 | 110.4 | Y194 S195 L209 | Y194-R207 CarbonylContact C-O 3.58Å; Y194-R207 VanDerWaalsContact CA-O 3.27Å; Y194-R207 WeakPolarHBondContact CA-O 3.34Å; Y194-R207 WeakPolarHBondContact CD1-O 3.38Å; S195-R207 PolarHBondContact N-O 2.78Å; S195-R207 PolarHBondContact O-N 3.49Å; R207-L209 PolarHBondContact O-N 3.13Å |
| 208 | P | 96.3 | Very high | 93.2 | Very high | 70 Ų | 70 | 64.3 Ų | 64.3 | 46% | 0.455 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 127.9 | 179 | 27 | -33.5 | 0 | 0 | 0 | 110.7 | Y194 | Y194-P208 HydrophobicContact CD1-CB 4.38Å; Y194-P208 HydrophobicContact CE1-CB 3.89Å; Y194-P208 HydrophobicContact CE1-CG 4.45Å |
| 209 | L | 94.5 | Very high | 93.1 | Very high | 49 Ų | 49 | 66.6 Ų | 66.6 | 26% | 0.257 | 37% | 0.372 | S | S | . | . | trans | -98.3 | 90.2 | 178.6 | -173.5 | 68.5 | 0 | 0 | 0 | 109.2 | T193 R207 H215 I223 Y231 | T193-L209 PolarHBondContact O-N 2.9Å; T193-L209 PolarHBondContact OG1-O 3.27Å; R207-L209 PolarHBondContact O-N 3.13Å; L209-H215 PolarHBondContact O-ND1 3.02Å; L209-I223 HydrophobicContact CD2-CD1 4.3Å; L209-I223 HydrophobicContact CD2-CG2 3.47Å; L209-I223 VanDerWaalsContact CD2-CG2 3.47Å; L209-Y231 HydrophobicContact CD2-CD1 4.1Å; L209-Y231 HydrophobicContact CD2-CE1 4.1Å | ||
| 210 | G | 90.6 | Very high | 93.3 | Very high | 42 Ų | 42 | 67.3 Ų | 67.3 | 43% | 0.433 | 37% | 0.371 | S | S | . | . | S | Bend | trans | 82.1 | -159.9 | 180 | 0 | 0 | 0 | 0 | 0 | 114.7 | R192 | R192-G210 PolarHBondContact NE-O 2.82Å; R192-G210 PolarHBondContact NH2-O 3.02Å; R192-G210 VanDerWaalsContact NH2-O 3.17Å |
| 211 | Q | 92.6 | Very high | 93.6 | Very high | 132 Ų | 132 | 66.6 Ų | 66.6 | 62% | 0.617 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -90.8 | 157 | 178.7 | -57.4 | -60.6 | -0.7 | 0 | 0 | 111.4 | G213 A214 | Q211-G213 PolarHBondContact O-N 2.99Å; Q211-A214 WeakPolarHBondContact O-CB 3.4Å; Q211-A214 PolarHBondContact O-N 3.23Å; Q211-A214 VanDerWaalsContact O-N 3.12Å |
| 212 | P | 92.3 | Very high | 93.9 | Very high | 49 Ų | 49 | 71.1 Ų | 71.1 | 32% | 0.318 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 138.7 | 169.2 | -24.5 | 35.2 | 0 | 0 | 0 | 111.4 | S189 R192 A214 | S189-P212 VanDerWaalsContact O-CB 3.27Å; S189-P212 WeakPolarHBondContact O-CB 3.18Å; R192-P212 HydrophobicContact CB-CB 4.48Å; R192-P212 HydrophobicContact CB-CG 4.44Å; R192-P212 HydrophobicContact CG-CG 4.42Å; P212-A214 PolarHBondContact O-N 3Å |
| 213 | G | 92.4 | Very high | 94.3 | Very high | 23 Ų | 23 | 67 Ų | 67 | 24% | 0.237 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | -15.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | P188 A191 Q211 H215 A216 | P188-G213 WeakPolarHBondContact O-CA 3.32Å; A191-G213 PolarHBondContact O-N 2.97Å; Q211-G213 PolarHBondContact O-N 2.99Å; G213-H215 PolarHBondContact O-N 3.21Å; G213-A216 PolarHBondContact O-N 3.49Å; G213-A216 VanDerWaalsContact O-N 3.16Å |
| 214 | A | 93.7 | Very high | 94.7 | Very high | 63 Ų | 63 | 68.7 Ų | 68.7 | 52% | 0.521 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -24 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q211 P212 | Q211-A214 WeakPolarHBondContact O-CB 3.4Å; Q211-A214 PolarHBondContact O-N 3.23Å; Q211-A214 VanDerWaalsContact O-N 3.12Å; P212-A214 PolarHBondContact O-N 3Å |
| 215 | H | 95.7 | Very high | 94.8 | Very high | 47 Ų | 47 | 67.4 Ų | 67.4 | 22% | 0.218 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | 1 | 178.8 | -59 | 114.3 | 0 | 0 | 0 | 113.2 | T193 L209 G213 C221 R222 I223 | T193-H215 HydrophobicContact CG2-CB 3.78Å; T193-H215 PolarHBondContact OG1-ND1 3.02Å; L209-H215 PolarHBondContact O-ND1 3.02Å; G213-H215 PolarHBondContact O-N 3.21Å; H215-C221 CarbonylContact O-C 3.6Å; H215-C221 VanDerWaalsContact O-CA 3.27Å; H215-C221 WeakPolarHBondContact O-CA 3.49Å; H215-R222 PolarHBondContact O-N 2.86Å; H215-I223 HydrophobicContact CB-CG1 4.31Å |
| 216 | A | 94.4 | Very high | 94.5 | Very high | 18 Ų | 18 | 67.8 Ų | 67.8 | 15% | 0.149 | 35% | 0.354 | C | S | . | . | B | Isolated β-bridge | trans | -105.9 | 122.8 | -168.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P188 A191 G213 | P188-A216 HydrophobicContact CB-CB 4.15Å; A191-A216 HydrophobicContact CB-CB 3.8Å; G213-A216 PolarHBondContact O-N 3.49Å; G213-A216 VanDerWaalsContact O-N 3.16Å |
| 217 | S | 93.3 | Very high | 94.4 | Very high | 55 Ų | 55 | 68.2 Ų | 68.2 | 39% | 0.385 | 36% | 0.358 | S | S | . | . | trans | -92.1 | -165.1 | 168.3 | -169.8 | 0 | 0 | 0 | 0 | 109.9 | H183 P188 D219 E220 | H183-S217 PolarHBondContact CE1-O 2.55Å; H183-S217 PolarHBondContact NE2-O 3.47Å; H183-S217 VanDerWaalsContact NE2-O 3.15Å; P188-S217 WeakPolarHBondContact CB-O 3.45Å; P188-S217 WeakPolarHBondContact CG-O 3.04Å; S217-D219 VanDerWaalsContact C-N 3.34Å; S217-D219 PolarHBondContact O-N 2.81Å; S217-E220 WeakPolarHBondContact CB-O 3.32Å; S217-E220 PolarHBondContact N-O 3.42Å | ||
| 218 | R | 90.9 | Very high | 94.4 | Very high | 212 Ų | 212 | 60 Ų | 60 | 80% | 0.8 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -54.7 | -46.2 | 178.9 | -174.2 | 179.1 | -178.8 | -177.3 | -0.1 | 113.1 | ||
| 219 | D | 92.1 | Very high | 94.4 | Very high | 66 Ų | 66 | 56.7 Ų | 56.7 | 35% | 0.353 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -141.5 | 6.3 | -172.3 | 66.8 | -50.6 | 0 | 0 | 0 | 113 | K182 H183 S217 | K182-D219 CarbonylContact C-O 3.55Å; K182-D219 VanDerWaalsContact CA-O 3.22Å; K182-D219 WeakPolarHBondContact CA-O 3.07Å; K182-D219 VanDerWaalsContact CD-O 3.28Å; K182-D219 WeakPolarHBondContact CD-O 3.32Å; K182-D219 IonicContact NZ-OD2 2.68Å; K182-D219 PolarHBondContact NZ-OD2 3.4Å; H183-D219 PolarHBondContact N-O 3.08Å; S217-D219 VanDerWaalsContact C-N 3.34Å; S217-D219 PolarHBondContact O-N 2.81Å |
| 220 | E | 95.9 | Very high | 94.6 | Very high | 34 Ų | 34 | 54.5 Ų | 54.5 | 16% | 0.159 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 131.3 | -174.9 | -82.4 | 179.7 | -154.9 | 0 | 0 | 112.3 | T180 F181 K182 H183 S217 R222 | T180-E220 HydrophobicContact CG2-CB 4.47Å; T180-E220 HydrophobicContact CG2-CG 4.22Å; T180-E220 WeakPolarHBondContact CG2-OE2 3.02Å; F181-E220 WeakPolarHBondContact O-CA 3.21Å; K182-E220 HydrophobicContact CD-CG 3.71Å; K182-E220 IonicContact NZ-OE1 2.67Å; K182-E220 PolarHBondContact NZ-OE1 2.76Å; H183-E220 PolarHBondContact NE2-N 3.41Å; H183-E220 PolarHBondContact NE2-O 2.87Å; S217-E220 WeakPolarHBondContact CB-O 3.32Å; S217-E220 PolarHBondContact N-O 3.42Å; E220-R222 IonicContact OE2-CZ 3.77Å; E220-R222 IonicContact OE2-NE 3.36Å; E220-R222 PolarHBondContact OE2-NE 2.9Å; E220-R222 IonicContact OE2-NH2 3.87Å; E220-R222 PolarHBondContact OE2-NH2 2.91Å |
| 221 | C | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 131.6 | 162 | -88.9 | 0 | 0 | 0 | 0 | 109.3 | T180 F181 H183 T193 H215 | T180-C221 VanDerWaalsContact CA-O 3.32Å; T180-C221 WeakPolarHBondContact CA-O 3.38Å; F181-C221 HydrophobicContact CD2-CB 3.87Å; F181-C221 HydrophobicContact CE1-CB 4.33Å; F181-C221 HydrophobicContact CE2-CB 3.42Å; F181-C221 VanDerWaalsContact CE2-CB 3.42Å; F181-C221 HydrophobicContact CZ-CB 3.68Å; F181-C221 PolarHBondContact N-O 3.39Å; F181-C221 PolarHBondContact O-N 2.84Å; H183-C221 PolarHBondContact CD2-N 3.48Å; H183-C221 PolarHBondContact CD2-SG 2.87Å; T193-C221 HydrophobicContact CG2-CB 4.37Å; H215-C221 CarbonylContact O-C 3.6Å; H215-C221 VanDerWaalsContact O-CA 3.27Å; H215-C221 WeakPolarHBondContact O-CA 3.49Å |
| 222 | R | 97.8 | Very high | 95.2 | Very high | 127 Ų | 127 | 46.5 Ų | 46.5 | 48% | 0.479 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 112 | 177.2 | -61.9 | -175.3 | -171.1 | 156.2 | -1.2 | 109.7 | L179 T180 H215 E220 | L179-R222 CarbonylContact O-C 3.52Å; L179-R222 WeakPolarHBondContact O-CA 3.47Å; T180-R222 HydrophobicContact CG2-CG 3.91Å; H215-R222 PolarHBondContact O-N 2.86Å; E220-R222 IonicContact OE2-CZ 3.77Å; E220-R222 IonicContact OE2-NE 3.36Å; E220-R222 PolarHBondContact OE2-NE 2.9Å; E220-R222 IonicContact OE2-NH2 3.87Å; E220-R222 PolarHBondContact OE2-NH2 2.91Å |
| 223 | I | 97.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 129.4 | -172.7 | -46.9 | -179.5 | 0 | 0 | 0 | 109.5 | T178 L179 F181 T193 L209 H215 L225 Y231 | T178-I223 WeakPolarHBondContact CA-O 3.42Å; L179-I223 PolarHBondContact N-O 2.86Å; L179-I223 PolarHBondContact O-N 2.86Å; F181-I223 HydrophobicContact CE1-CD1 3.76Å; F181-I223 HydrophobicContact CE1-CG1 4.42Å; F181-I223 HydrophobicContact CZ-CD1 3.98Å; T193-I223 HydrophobicContact CG2-CD1 3.69Å; T193-I223 HydrophobicContact CG2-CG1 4.04Å; L209-I223 HydrophobicContact CD2-CD1 4.3Å; L209-I223 HydrophobicContact CD2-CG2 3.47Å; L209-I223 VanDerWaalsContact CD2-CG2 3.47Å; H215-I223 HydrophobicContact CB-CG1 4.31Å; I223-L225 HydrophobicContact CB-CD2 4.02Å; I223-L225 HydrophobicContact CG2-CD2 3.73Å; I223-Y231 HydrophobicContact CD1-CD1 4Å; I223-Y231 HydrophobicContact CD1-CG 4.23Å |
| 224 | H | 96.9 | Very high | 95.6 | Very high | 124 Ų | 124 | 43.1 Ų | 43.1 | 57% | 0.574 | 22% | 0.219 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 113.5 | 170.8 | -67.5 | 100.4 | 0 | 0 | 0 | 109.7 | P176 C177 T178 | P176-H224 HydrophobicContact CB-CB 4.38Å; C177-H224 CarbonylContact O-C 3.49Å; C177-H224 WeakPolarHBondContact O-CA 3.29Å; T178-H224 PolarHBondContact OG1-CD2 3.11Å |
| 225 | L | 96.1 | Very high | 95.7 | Very high | 6 Ų | 6 | 40.1 Ų | 40.1 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 122.7 | -173.5 | -54.5 | -163 | 0 | 0 | 0 | 111 | L124 C166 P176 C177 L179 I223 F228 Y231 | L124-L225 HydrophobicContact CD1-CD1 4.1Å; C166-L225 HydrophobicContact CB-CD1 4.32Å; P176-L225 VanDerWaalsContact CA-O 3.25Å; P176-L225 WeakPolarHBondContact CA-O 3.34Å; P176-L225 WeakPolarHBondContact CB-O 3.47Å; C177-L225 HydrophobicContact CB-CB 4.4Å; C177-L225 PolarHBondContact N-O 3.31Å; C177-L225 PolarHBondContact O-N 3.05Å; L179-L225 HydrophobicContact CB-CD1 3.99Å; L179-L225 HydrophobicContact CB-CD2 4.06Å; L179-L225 HydrophobicContact CB-CG 4.05Å; L179-L225 HydrophobicContact CD2-CD2 4.49Å; I223-L225 HydrophobicContact CB-CD2 4.02Å; I223-L225 HydrophobicContact CG2-CD2 3.73Å; L225-F228 HydrophobicContact CD1-CD1 3.88Å; L225-F228 HydrophobicContact CD1-CE1 4.07Å; L225-Y231 HydrophobicContact CD1-CE2 3.91Å; L225-Y231 HydrophobicContact CD2-CD1 4.4Å; L225-Y231 HydrophobicContact CD2-CD2 4.29Å; L225-Y231 HydrophobicContact CD2-CE1 3.87Å; L225-Y231 HydrophobicContact CD2-CE2 3.73Å; L225-Y231 HydrophobicContact CG-CE2 4.47Å |
| 226 | S | 90.6 | Very high | 95.4 | Very high | 90 Ų | 90 | 39.8 Ų | 39.8 | 63% | 0.629 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -82.2 | -25.5 | 167 | 57.7 | 0 | 0 | 0 | 0 | 113 | S172 | S172-S226 WeakPolarHBondContact CB-O 3.44Š|
| 227 | H | 94.6 | Very high | 95.1 | Very high | 51 Ų | 51 | 40.4 Ų | 40.4 | 24% | 0.236 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -151.6 | 164.3 | 177.1 | 62.5 | -71.2 | 0 | 0 | 0 | 109 | A171 N197 Y231 | A171-H227 CarbonylContact O-C 3.49Å; A171-H227 WeakPolarHBondContact O-CA 3.37Å; N197-H227 PolarHBondContact OD1-CD2 3.08Å; N197-H227 VanDerWaalsContact OD1-CD2 3.31Å; N197-H227 PolarHBondContact OD1-NE2 3.32Å; H227-Y231 PolarHBondContact O-OH 2.73Å |
| 228 | F | 97 | Very high | 94.7 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | trans | -88.7 | 135.3 | 175.9 | -77.3 | 4.6 | 0 | 0 | 0 | 111.9 | L124 I126 V139 C166 G167 P168 G170 A171 F173 C177 L225 | L124-F228 HydrophobicContact CD1-CE1 4.23Å; L124-F228 HydrophobicContact CD1-CZ 4.37Å; L124-F228 HydrophobicContact CD2-CE1 4.33Å; L124-F228 HydrophobicContact CD2-CE2 4.18Å; L124-F228 HydrophobicContact CD2-CZ 3.79Å; L124-F228 HydrophobicContact CG-CZ 4.47Å; I126-F228 HydrophobicContact CD1-CZ 4.27Å; I126-F228 HydrophobicContact CG1-CZ 4.3Å; V139-F228 HydrophobicContact CB-CE2 4.08Å; V139-F228 HydrophobicContact CG1-CE2 3.73Å; V139-F228 HydrophobicContact CG1-CZ 4.41Å; C166-F228 HydrophobicContact CB-CB 3.85Å; C166-F228 HydrophobicContact CB-CD1 3.85Å; C166-F228 HydrophobicContact CB-CD2 3.91Å; C166-F228 HydrophobicContact CB-CE1 4.36Å; C166-F228 HydrophobicContact CB-CE2 4.4Å; C166-F228 HydrophobicContact CB-CG 3.6Å; G167-F228 VanDerWaalsContact O-CD2 3.32Å; G167-F228 WeakPolarHBondContact O-CD2 3.27Å; P168-F228 WeakPolarHBondContact O-CB 3.36Å; G170-F228 PolarHBondContact N-O 3.29Å; A171-F228 HydrophobicContact CB-CB 4.31Å; A171-F228 HydrophobicContact CB-CD2 4.25Å; A171-F228 HydrophobicContact CB-CG 4.44Å; A171-F228 PolarHBondContact O-N 2.88Å; F173-F228 HydrophobicContact CD2-CE1 4.05Å; F173-F228 HydrophobicContact CD2-CZ 4.18Å; F173-F228 AromaticContact CE2-CD1 4Å; F173-F228 HydrophobicContact CE2-CD1 4Å; F173-F228 AromaticContact CE2-CD2 3.98Å; F173-F228 HydrophobicContact CE2-CD2 3.98Å; F173-F228 AromaticContact CE2-CE1 3.56Å; F173-F228 HydrophobicContact CE2-CE1 3.56Å; F173-F228 AromaticContact CE2-CE2 3.56Å; F173-F228 HydrophobicContact CE2-CE2 3.56Å; F173-F228 HydrophobicContact CE2-CG 4.2Å; F173-F228 AromaticContact CE2-CZ 3.32Å; F173-F228 HydrophobicContact CE2-CZ 3.32Å; F173-F228 HydrophobicContact CZ-CD2 4.46Å; F173-F228 HydrophobicContact CZ-CE1 4.42Å; F173-F228 AromaticContact CZ-CE2 3.78Å; F173-F228 HydrophobicContact CZ-CE2 3.78Å; F173-F228 AromaticContact CZ-CZ 3.75Å; F173-F228 HydrophobicContact CZ-CZ 3.75Å; C177-F228 HydrophobicContact CB-CE1 4.01Å; L225-F228 HydrophobicContact CD1-CD1 3.88Å; L225-F228 HydrophobicContact CD1-CE1 4.07Å | ||
| 229 | S | 96.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | trans | -165 | -173 | -165.6 | -137.2 | 0 | 0 | 0 | 0 | 110.2 | A165 C166 S196 N197 Y231 | A165-S229 WeakPolarHBondContact CA-O 3.43Å; C166-S229 PolarHBondContact N-O 2.81Å; S196-S229 PolarHBondContact O-OG 3.23Å; N197-S229 WeakPolarHBondContact CA-OG 3.49Å; N197-S229 PolarHBondContact OD1-OG 2.97Å; S229-Y231 VanDerWaalsContact CB-OH 3.24Å; S229-Y231 WeakPolarHBondContact CB-OH 3.23Å; S229-Y231 WeakPolarHBondContact O-CD2 3.15Å; S229-Y231 VanDerWaalsContact O-CE2 3.28Å; S229-Y231 WeakPolarHBondContact O-CE2 3.44Å | ||
| 230 | L | 97.8 | Very high | 93.9 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 145.5 | 167.7 | -61.9 | 100.2 | 0 | 0 | 0 | 111.9 | V163 V164 A165 S195 S196 T198 L200 K204 W206 | V163-L230 HydrophobicContact CG1-CD2 4.12Å; V164-L230 CarbonylContact O-C 3.54Å; V164-L230 WeakPolarHBondContact O-CA 3.48Å; A165-L230 HydrophobicContact CB-CD2 4.01Å; A165-L230 HydrophobicContact CB-CG 3.79Å; S195-L230 CarbonylContact C-O 3.57Å; S195-L230 WeakPolarHBondContact CA-O 3.46Å; S195-L230 WeakPolarHBondContact CB-O 3.3Å; S196-L230 PolarHBondContact N-O 2.89Å; S196-L230 PolarHBondContact O-N 3.27Å; T198-L230 WeakPolarHBondContact O-CD1 3.35Å; L200-L230 HydrophobicContact CD1-CD2 4.45Å; K204-L230 HydrophobicContact CD-CD1 4.01Å; K204-L230 HydrophobicContact CD-CD2 4.03Å; W206-L230 HydrophobicContact CH2-CB 3.86Å; W206-L230 HydrophobicContact CZ2-CB 4.4Å; W206-L230 HydrophobicContact CZ3-CB 4.41Å |
| 231 | Y | 98.1 | Very high | 93.5 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 2% | 0.02 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 148.2 | -176.4 | -58 | -79.3 | 0 | 0 | 0 | 111.8 | V164 L179 Y194 L209 I223 L225 H227 S229 | V164-Y231 PolarHBondContact N-O 2.99Å; V164-Y231 PolarHBondContact O-N 2.93Å; L179-Y231 HydrophobicContact CD2-CD2 3.47Å; L179-Y231 VanDerWaalsContact CD2-CD2 3.47Å; L179-Y231 HydrophobicContact CD2-CE2 4.32Å; L179-Y231 HydrophobicContact CD2-CG 3.77Å; Y194-Y231 WeakPolarHBondContact O-CA 3.38Å; L209-Y231 HydrophobicContact CD2-CD1 4.1Å; L209-Y231 HydrophobicContact CD2-CE1 4.1Å; I223-Y231 HydrophobicContact CD1-CD1 4Å; I223-Y231 HydrophobicContact CD1-CG 4.23Å; L225-Y231 HydrophobicContact CD1-CE2 3.91Å; L225-Y231 HydrophobicContact CD2-CD1 4.4Å; L225-Y231 HydrophobicContact CD2-CD2 4.29Å; L225-Y231 HydrophobicContact CD2-CE1 3.87Å; L225-Y231 HydrophobicContact CD2-CE2 3.73Å; L225-Y231 HydrophobicContact CG-CE2 4.47Å; H227-Y231 PolarHBondContact O-OH 2.73Å; S229-Y231 VanDerWaalsContact CB-OH 3.24Å; S229-Y231 WeakPolarHBondContact CB-OH 3.23Å; S229-Y231 WeakPolarHBondContact O-CD2 3.15Å; S229-Y231 VanDerWaalsContact O-CE2 3.28Å; S229-Y231 WeakPolarHBondContact O-CE2 3.44Å |
| 232 | T | 97.9 | Very high | 93 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 178.6 | 172 | -166.2 | 0 | 0 | 0 | 0 | 110.2 | P151 S161 P162 T193 Y194 W206 | P151-T232 HydrophobicContact CG-CG2 3.61Å; S161-T232 PolarHBondContact OG-OG1 3.31Å; P162-T232 WeakPolarHBondContact O-CB 3.33Å; P162-T232 PolarHBondContact O-OG1 3.35Å; T193-T232 CarbonylContact C-O 3.52Å; T193-T232 VanDerWaalsContact CA-O 3.3Å; T193-T232 WeakPolarHBondContact CA-O 3.12Å; Y194-T232 PolarHBondContact N-O 3.08Å; Y194-T232 PolarHBondContact O-N 3.4Å; Y194-T232 VanDerWaalsContact O-N 3.09Å; W206-T232 HydrophobicContact CD2-CG2 4.49Å; W206-T232 HydrophobicContact CE3-CG2 4.07Å; W206-T232 HydrophobicContact CH2-CG2 3.71Å; W206-T232 HydrophobicContact CZ2-CG2 4.17Å; W206-T232 HydrophobicContact CZ3-CG2 3.66Å |
| 233 | C | 97.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 128.5 | 177.5 | -165.9 | 0 | 0 | 0 | 0 | 111.5 | V160 S161 F181 R192 | V160-C233 HydrophobicContact CG2-CB 4.21Å; V160-C233 WeakPolarHBondContact CG2-O 3.22Å; V160-C233 PolarHBondContact N-O 3.12Å; S161-C233 PolarHBondContact N-O 2.77Å; S161-C233 WeakPolarHBondContact OG-CB 3.42Å; S161-C233 PolarHBondContact OG-N 2.91Å; F181-C233 HydrophobicContact CE2-CB 3.98Å; F181-C233 HydrophobicContact CZ-CB 4.44Å; R192-C233 VanDerWaalsContact C-SG 3.55Å; R192-C233 WeakPolarHBondContact O-CA 3.32Å; R192-C233 PolarHBondContact O-SG 2.78Å |
| 234 | V | 97 | Very high | 92.6 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 139 | -179.2 | 178 | 0 | 0 | 0 | 0 | 108.1 | P151 L153 Q157 L159 R192 Y194 E236 | P151-V234 HydrophobicContact CB-CG2 4.35Å; P151-V234 HydrophobicContact CG-CG2 3.93Å; L153-V234 HydrophobicContact CD2-CB 4.44Å; L153-V234 HydrophobicContact CD2-CG1 3.65Å; L153-V234 HydrophobicContact CD2-CG2 3.86Å; Q157-V234 HydrophobicContact CB-CG1 3.84Å; Q157-V234 HydrophobicContact CG-CG1 4.2Å; L159-V234 HydrophobicContact CD1-CG2 4.47Å; R192-V234 PolarHBondContact N-O 3.36Å; R192-V234 PolarHBondContact O-N 2.71Å; Y194-V234 HydrophobicContact CD2-CB 4.09Å; Y194-V234 HydrophobicContact CD2-CG2 3.98Å; Y194-V234 HydrophobicContact CE2-CB 3.96Å; Y194-V234 HydrophobicContact CE2-CG2 4.23Å; V234-E236 HydrophobicContact CG1-CG 4.45Å |
| 235 | M | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 122.8 | 173.8 | 177.9 | 164.5 | 41.8 | 0 | 0 | 111 | Q157 G158 V160 A185 H190 A243 R244 K245 W335 | Q157-M235 WeakPolarHBondContact CA-O 3.22Å; G158-M235 PolarHBondContact N-O 3.47Å; G158-M235 PolarHBondContact O-N 2.92Å; V160-M235 HydrophobicContact CG1-CB 3.76Å; V160-M235 HydrophobicContact CG1-CE 3.82Å; V160-M235 HydrophobicContact CG2-CB 4.37Å; A185-M235 HydrophobicContact CB-SD 4.27Å; H190-M235 HydrophobicContact CB-CG 4.08Å; H190-M235 CarbonylContact O-C 3.58Å; H190-M235 WeakPolarHBondContact O-CA 3.46Å; M235-A243 HydrophobicContact CE-CB 4.33Å; M235-A243 HydrophobicContact CG-CB 4.21Å; M235-A243 HydrophobicContact SD-CB 4.05Å; M235-R244 WeakPolarHBondContact CE-O 3.36Å; M235-K245 HydrophobicContact CE-CB 3.82Å; M235-K245 HydrophobicContact CE-CG 4.25Å; M235-W335 HydrophobicContact CE-CH2 3.2Å; M235-W335 HydrophobicContact CE-CZ2 3.88Å; M235-W335 HydrophobicContact CE-CZ3 3.77Å; M235-W335 HydrophobicContact SD-CH2 4.45Å |
| 236 | E | 90.5 | Very high | 92.5 | Very high | 40 Ų | 40 | 46.9 Ų | 46.9 | 19% | 0.187 | 26% | 0.259 | C | S | . | . | trans | -123.2 | 99.6 | 174.9 | -51.5 | -155.2 | 118.1 | 0 | 0 | 108.9 | Q157 H190 R192 Y194 V234 | Q157-E236 HydrophobicContact CG-CG 4.36Å; Q157-E236 PolarHBondContact NE2-OE1 3.49Å; H190-E236 PolarHBondContact O-N 3.42Å; R192-E236 HydrophobicContact CB-CG 4.3Å; R192-E236 WeakPolarHBondContact CD-OE2 3.47Å; R192-E236 IonicContact CZ-OE2 3.07Å; R192-E236 IonicContact NE-OE2 3.85Å; R192-E236 IonicContact NH1-OE2 3.87Å; R192-E236 PolarHBondContact NH1-OE2 3.05Å; Y194-E236 VanDerWaalsContact OH-CD 3.32Å; Y194-E236 PolarHBondContact OH-OE1 3.17Å; Y194-E236 VanDerWaalsContact OH-OE1 3.07Å; Y194-E236 PolarHBondContact OH-OE2 3.1Å; V234-E236 HydrophobicContact CG1-CG 4.45Å | ||
| 237 | A | 86.7 | Confident | 92.8 | Very high | 31 Ų | 31 | 42.7 Ų | 42.7 | 26% | 0.256 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -78.6 | 141.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | R241 A243 | A237-R241 HydrophobicContact CB-CB 4.37Å; A237-A243 HydrophobicContact CB-CB 3.72Å |
| 238 | P | 86.5 | Confident | 92.9 | Very high | 71 Ų | 71 | 40.9 Ų | 40.9 | 46% | 0.461 | 22% | 0.221 | S | C | . | . | P | Polyproline II helix | trans | -57.3 | 152.9 | 170 | -25.1 | 34.3 | 0 | 0 | 0 | 112.5 | H190 G240 R241 | H190-P238 VanDerWaalsContact CD2-CD 3.41Å; H190-P238 WeakPolarHBondContact CD2-CD 3.4Å; P238-G240 PolarHBondContact O-N 3.09Å; P238-R241 HydrophobicContact CB-CG 4.25Å; P238-R241 WeakPolarHBondContact O-CB 3.37Å; P238-R241 PolarHBondContact O-N 3.4Å |
| 239 | V | 83.9 | Confident | 92.8 | Very high | 159 Ų | 159 | 40.9 Ų | 40.9 | 96% | 0.964 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 128.3 | 177.4 | -177.1 | 0 | 0 | 0 | 0 | 110.4 | R241 | V239-R241 VanDerWaalsContact C-N 3.34Š|
| 240 | G | 81.8 | Confident | 92.8 | Very high | 83 Ų | 83 | 40.8 Ų | 40.8 | 86% | 0.856 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81 | 4.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | P238 | P238-G240 PolarHBondContact O-N 3.09Š|
| 241 | R | 87.1 | Confident | 92.6 | Very high | 184 Ų | 184 | 41.2 Ų | 41.2 | 69% | 0.694 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -105.1 | 144.7 | 168 | -63.9 | -62.5 | -174.2 | 162.3 | -0.9 | 110.8 | A237 P238 V239 | A237-R241 HydrophobicContact CB-CB 4.37Å; P238-R241 HydrophobicContact CB-CG 4.25Å; P238-R241 WeakPolarHBondContact O-CB 3.37Å; P238-R241 PolarHBondContact O-N 3.4Å; V239-R241 VanDerWaalsContact C-N 3.34Å |
| 242 | E | 86.9 | Confident | 92.2 | Very high | 70 Ų | 70 | 41 Ų | 41 | 33% | 0.327 | 22% | 0.222 | S | C | . | . | trans | -79.8 | 126.3 | 175.9 | -168.6 | 175.4 | -149.7 | 0 | 0 | 109.9 | R244 S301 A303 | E242-R244 HydrophobicContact CG-CG 4.05Å; E242-R244 IonicContact OE1-NE 3.2Å; E242-R244 IonicContact OE2-CZ 2.9Å; E242-R244 IonicContact OE2-NE 2.76Å; E242-R244 PolarHBondContact OE2-NE 2.95Å; E242-R244 IonicContact OE2-NH2 3Å; E242-R244 PolarHBondContact OE2-NH2 3.02Å; E242-S301 VanDerWaalsContact CD-OG 3.28Å; E242-S301 WeakPolarHBondContact CG-OG 3.34Å; E242-S301 VanDerWaalsContact OE1-CB 3.28Å; E242-S301 WeakPolarHBondContact OE1-CB 3.21Å; E242-S301 PolarHBondContact OE1-OG 3.49Å; E242-A303 HydrophobicContact CG-CB 4.03Å | ||
| 243 | A | 92.1 | Very high | 91.7 | Very high | 9 Ų | 9 | 41.1 Ų | 41.1 | 7% | 0.074 | 22% | 0.223 | C | C | . | . | trans | -82.2 | 131.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | M235 A237 G302 W335 | M235-A243 HydrophobicContact CE-CB 4.33Å; M235-A243 HydrophobicContact CG-CB 4.21Å; M235-A243 HydrophobicContact SD-CB 4.05Å; A237-A243 HydrophobicContact CB-CB 3.72Å; A243-G302 PolarHBondContact O-N 3.02Å; A243-W335 HydrophobicContact CB-CH2 3.57Å; A243-W335 HydrophobicContact CB-CZ2 3.64Å; A243-W335 WeakPolarHBondContact O-CH2 3.27Å | ||
| 244 | R | 94.4 | Very high | 91.1 | Very high | 87 Ų | 87 | 41.2 Ų | 41.2 | 33% | 0.328 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 145.8 | 178.2 | -57.8 | -157.9 | -172.1 | 179.6 | 2.2 | 112.7 | Q186 M235 E242 D299 F300 | Q186-R244 HydrophobicContact CB-CB 4.01Å; Q186-R244 VanDerWaalsContact CB-O 3.26Å; Q186-R244 WeakPolarHBondContact CB-O 3.28Å; Q186-R244 PolarHBondContact N-O 3.47Å; M235-R244 WeakPolarHBondContact CE-O 3.36Å; E242-R244 HydrophobicContact CG-CG 4.05Å; E242-R244 IonicContact OE1-NE 3.2Å; E242-R244 IonicContact OE2-CZ 2.9Å; E242-R244 IonicContact OE2-NE 2.76Å; E242-R244 PolarHBondContact OE2-NE 2.95Å; E242-R244 IonicContact OE2-NH2 3Å; E242-R244 PolarHBondContact OE2-NH2 3.02Å; R244-D299 WeakPolarHBondContact CB-OD1 3.33Å; R244-D299 WeakPolarHBondContact CD-OD2 3.27Å; R244-D299 IonicContact CZ-OD2 2.73Å; R244-D299 IonicContact NE-OD2 3.64Å; R244-D299 IonicContact NH1-OD2 3.27Å; R244-D299 PolarHBondContact NH1-OD2 2.79Å; R244-F300 VanDerWaalsContact CA-O 3.29Å; R244-F300 WeakPolarHBondContact CA-O 3.37Å |
| 245 | K | 95.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 148 | 174.5 | 59.1 | 175.2 | 175.8 | 168.4 | 0 | 112.2 | L159 V160 C184 M235 L247 N271 F300 I334 W335 | L159-K245 PolarHBondContact O-NZ 2.83Å; V160-K245 HydrophobicContact CG1-CB 4.25Å; V160-K245 HydrophobicContact CG1-CD 4.18Å; C184-K245 CarbonylContact O-C 3.49Å; C184-K245 WeakPolarHBondContact O-CA 3.28Å; C184-K245 WeakPolarHBondContact O-CB 3.35Å; M235-K245 HydrophobicContact CE-CB 3.82Å; M235-K245 HydrophobicContact CE-CG 4.25Å; K245-L247 HydrophobicContact CD-CD2 4.06Å; K245-L247 HydrophobicContact CG-CD2 4.16Å; K245-N271 PolarHBondContact NZ-OD1 2.89Å; K245-F300 PolarHBondContact N-O 3.21Å; K245-F300 PolarHBondContact O-N 3.28Å; K245-I334 PolarHBondContact NZ-O 2.87Å; K245-W335 HydrophobicContact CD-CE3 4.35Å; K245-W335 HydrophobicContact CD-CZ3 4.34Å; K245-W335 HydrophobicContact CG-CE3 4.3Å; K245-W335 HydrophobicContact CG-CZ3 3.91Å; K245-W335 PolarHBondContact NZ-O 2.69Å |
| 246 | W | 96.3 | Very high | 89 | Confident | 99 Ų | 99 | 45.1 Ų | 45.1 | 38% | 0.375 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 129.2 | 168.7 | -63 | 110.8 | 0 | 0 | 0 | 109.8 | C184 Q186 N272 F298 D299 | C184-W246 VanDerWaalsContact CB-O 3.23Å; C184-W246 WeakPolarHBondContact CB-O 3.32Å; C184-W246 PolarHBondContact O-N 2.99Å; Q186-W246 HydrophobicContact CG-CZ2 4.02Å; W246-N272 HydrophobicContact CB-CB 3.8Å; W246-N272 VanDerWaalsContact O-CB 3.28Å; W246-N272 WeakPolarHBondContact O-CB 3.49Å; W246-N272 PolarHBondContact O-N 2.73Å; W246-N272 VanDerWaalsContact O-N 3.15Å; W246-F298 WeakPolarHBondContact CA-O 3.42Å; W246-D299 HydrophobicContact CE3-CB 4.24Å; W246-D299 HydrophobicContact CH2-CB 4.31Å; W246-D299 HydrophobicContact CZ3-CB 3.8Å |
| 247 | L | 96.1 | Very high | 87.7 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 163.2 | 170.9 | -62.3 | -178.2 | 0 | 0 | 0 | 109.6 | K245 L270 L297 F298 F300 I334 | K245-L247 HydrophobicContact CD-CD2 4.06Å; K245-L247 HydrophobicContact CG-CD2 4.16Å; L247-L270 CarbonylContact C-O 3.54Å; L247-L270 VanDerWaalsContact CA-O 3.26Å; L247-L270 WeakPolarHBondContact CA-O 3.5Å; L247-L270 WeakPolarHBondContact CB-O 3.46Å; L247-L270 WeakPolarHBondContact CD2-O 3.38Å; L247-L297 WeakPolarHBondContact O-CA 3.41Å; L247-F298 HydrophobicContact CB-CD1 3.83Å; L247-F298 HydrophobicContact CB-CE1 3.44Å; L247-F298 VanDerWaalsContact CB-CE1 3.44Å; L247-F298 HydrophobicContact CB-CZ 3.9Å; L247-F298 HydrophobicContact CD1-CE1 4Å; L247-F298 HydrophobicContact CD1-CE2 4.17Å; L247-F298 HydrophobicContact CD1-CZ 3.57Å; L247-F298 HydrophobicContact CG-CE1 4.35Å; L247-F298 HydrophobicContact CG-CZ 4.34Å; L247-F298 PolarHBondContact N-O 2.94Å; L247-F298 PolarHBondContact O-N 2.57Å; L247-F300 HydrophobicContact CD1-CB 3.4Å; L247-F300 VanDerWaalsContact CD1-CB 3.4Å; L247-F300 HydrophobicContact CD1-CD1 4.41Å; L247-F300 HydrophobicContact CD1-CD2 3.63Å; L247-F300 HydrophobicContact CD1-CG 3.57Å; L247-F300 HydrophobicContact CG-CB 3.82Å; L247-F300 HydrophobicContact CG-CG 4.44Å; L247-I334 HydrophobicContact CD1-CG2 3.27Å; L247-I334 HydrophobicContact CD2-CG2 4.28Å; L247-I334 HydrophobicContact CG-CG2 4.43Å |
| 248 | Q | 95.9 | Very high | 86.5 | Confident | 14 Ų | 14 | 47.4 Ų | 47.4 | 7% | 0.065 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 132.9 | 170.9 | 68.1 | -173 | -41.5 | 0 | 0 | 109.1 | L270 N271 T273 C295 Q296 L297 | Q248-L270 HydrophobicContact CG-CB 3.7Å; Q248-L270 HydrophobicContact CG-CD1 4.37Å; Q248-L270 PolarHBondContact N-O 2.82Å; Q248-L270 PolarHBondContact O-N 3Å; Q248-N271 PolarHBondContact NE2-O 3.35Å; Q248-T273 PolarHBondContact NE2-O 2.87Å; Q248-C295 HydrophobicContact CB-CB 4.19Å; Q248-Q296 CarbonylContact C-O 3.54Å; Q248-Q296 WeakPolarHBondContact CA-O 3.34Å; Q248-L297 HydrophobicContact CB-CD2 3.7Å |
| 249 | L | 96.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 117 | 174.8 | -63.3 | 163.9 | 0 | 0 | 0 | 108.1 | I267 Y268 F269 C295 Q296 F298 T370 E381 L383 | L249-I267 HydrophobicContact CD2-CG2 4.4Å; L249-Y268 WeakPolarHBondContact CA-O 3.26Å; L249-F269 HydrophobicContact CD2-CD1 3.51Å; L249-F269 HydrophobicContact CD2-CE1 3.4Å; L249-F269 VanDerWaalsContact CD2-CE1 3.4Å; L249-F269 HydrophobicContact CD2-CE2 4.49Å; L249-F269 HydrophobicContact CD2-CG 4.12Å; L249-F269 HydrophobicContact CD2-CZ 3.93Å; L249-C295 CarbonylContact O-C 3.57Å; L249-C295 VanDerWaalsContact O-CA 3.23Å; L249-C295 WeakPolarHBondContact O-CA 3.39Å; L249-Q296 HydrophobicContact CB-CB 4.3Å; L249-Q296 PolarHBondContact N-O 2.88Å; L249-Q296 PolarHBondContact O-N 2.84Å; L249-F298 HydrophobicContact CD1-CD1 3.81Å; L249-F298 HydrophobicContact CD1-CE1 3.92Å; L249-F298 HydrophobicContact CD2-CD1 4.28Å; L249-F298 HydrophobicContact CD2-CE1 3.58Å; L249-F298 HydrophobicContact CD2-CZ 4.25Å; L249-F298 HydrophobicContact CG-CD1 3.72Å; L249-F298 HydrophobicContact CG-CE1 3.53Å; L249-T370 HydrophobicContact CD1-CG2 3.71Å; L249-E381 HydrophobicContact CD1-CB 4.41Å; L249-L383 HydrophobicContact CB-CD2 3.9Å; L249-L383 HydrophobicContact CD1-CD1 4.18Å; L249-L383 HydrophobicContact CD1-CD2 3.93Å; L249-L383 HydrophobicContact CD1-CG 4.14Å |
| 250 | A | 95.2 | Very high | 84.3 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 122.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | F252 Y268 L270 L277 L291 | A250-F252 HydrophobicContact CB-CD2 4.39Å; A250-F252 HydrophobicContact CB-CE2 3.79Å; A250-Y268 PolarHBondContact N-O 2.96Å; A250-Y268 PolarHBondContact O-N 3.02Å; A250-L270 HydrophobicContact CB-CD1 3.75Å; A250-L277 HydrophobicContact CB-CD1 4Å; A250-L291 HydrophobicContact CB-CD1 3.88Å |
| 251 | V | 93.4 | Very high | 83.7 | Confident | 12 Ų | 12 | 43.6 Ų | 43.6 | 7% | 0.073 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 114.8 | -173.8 | -173.8 | 0 | 0 | 0 | 0 | 109.3 | L265 I267 L291 R292 L383 F385 | V251-L265 HydrophobicContact CG1-CD1 3.49Å; V251-L265 VanDerWaalsContact CG1-CD1 3.49Å; V251-L265 HydrophobicContact CG1-CG 4.27Å; V251-I267 HydrophobicContact CG1-CG1 4.14Å; V251-I267 HydrophobicContact CG2-CG1 4.25Å; V251-L291 CarbonylContact O-C 3.59Å; V251-L291 WeakPolarHBondContact O-CA 3.48Å; V251-R292 PolarHBondContact O-N 3.49Å; V251-L383 HydrophobicContact CG2-CD2 3.92Å; V251-F385 HydrophobicContact CG1-CB 4.19Å; V251-F385 HydrophobicContact CG1-CD1 4.3Å; V251-F385 HydrophobicContact CG1-CG 4.37Å |
| 252 | F | 91.1 | Very high | 83.4 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 150.3 | 177.9 | -70.2 | -99.2 | 0 | 0 | 0 | 111.3 | A250 L265 R266 Y268 A280 L281 E284 R290 L291 | A250-F252 HydrophobicContact CB-CD2 4.39Å; A250-F252 HydrophobicContact CB-CE2 3.79Å; F252-L265 CarbonylContact O-C 3.55Å; F252-L265 WeakPolarHBondContact O-CA 3.24Å; F252-R266 HydrophobicContact CB-CB 4.47Å; F252-R266 PolarHBondContact N-O 3.37Å; F252-R266 PolarHBondContact O-N 2.85Å; F252-Y268 AromaticContact CD2-CD2 3.63Å; F252-Y268 HydrophobicContact CD2-CD2 3.63Å; F252-Y268 AromaticContact CD2-CE2 3.81Å; F252-Y268 HydrophobicContact CD2-CE2 3.81Å; F252-Y268 AromaticContact CE2-CD2 3.98Å; F252-Y268 HydrophobicContact CE2-CD2 3.98Å; F252-Y268 HydrophobicContact CE2-CE2 4.26Å; F252-Y268 HydrophobicContact CG-CE2 4.45Å; F252-A280 HydrophobicContact CE2-CB 4.06Å; F252-A280 HydrophobicContact CZ-CB 4.22Å; F252-L281 HydrophobicContact CE1-CD2 3.91Å; F252-L281 HydrophobicContact CZ-CD2 3.98Å; F252-L281 HydrophobicContact CZ-CG 4.24Å; F252-E284 HydrophobicContact CB-CG 4.12Å; F252-E284 WeakPolarHBondContact CB-OE2 3.34Å; F252-E284 HydrophobicContact CD1-CB 3.69Å; F252-E284 HydrophobicContact CD1-CG 3.45Å; F252-E284 VanDerWaalsContact CD1-CG 3.45Å; F252-E284 HydrophobicContact CD2-CG 4Å; F252-E284 HydrophobicContact CE1-CB 3.76Å; F252-E284 HydrophobicContact CE1-CG 3.71Å; F252-E284 HydrophobicContact CE2-CG 4.22Å; F252-E284 HydrophobicContact CG-CB 4.34Å; F252-E284 HydrophobicContact CG-CG 3.6Å; F252-E284 HydrophobicContact CZ-CB 4.48Å; F252-E284 HydrophobicContact CZ-CG 4.09Å; F252-R290 WeakPolarHBondContact CA-O 3.38Å; F252-L291 HydrophobicContact CD1-CB 4.18Å; F252-L291 HydrophobicContact CD2-CD1 4.22Å; F252-L291 HydrophobicContact CE1-CB 3.87Å; F252-L291 HydrophobicContact CE1-CD1 4.4Å; F252-L291 HydrophobicContact CE2-CD1 3.87Å; F252-L291 HydrophobicContact CZ-CB 4.21Å; F252-L291 HydrophobicContact CZ-CD1 3.97Å |
| 253 | C | 87.4 | Confident | 83.1 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.014 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 137.2 | 175.5 | -177.8 | 0 | 0 | 0 | 0 | 111 | Q264 R290 R292 | C253-Q264 WeakPolarHBondContact CA-O 3.3Å; C253-R290 PolarHBondContact N-O 3.18Å; C253-R290 PolarHBondContact O-N 3.36Å; C253-R290 VanDerWaalsContact O-N 3.08Å; C253-R292 HydrophobicContact CB-CG 3.9Å |
| 254 | S | 84.1 | Confident | 82.8 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.014 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 169.7 | 169.6 | 68.3 | 0 | 0 | 0 | 0 | 109.7 | Q264 R266 H287 | S254-Q264 PolarHBondContact N-O 3.04Å; S254-Q264 VanDerWaalsContact N-O 3.1Å; S254-Q264 PolarHBondContact O-N 2.89Å; S254-R266 PolarHBondContact OG-NH1 3.43Å; S254-R266 PolarHBondContact OG-NH2 3.37Å; S254-H287 WeakPolarHBondContact CB-O 3.36Å; S254-H287 PolarHBondContact OG-O 2.87Å |
| 255 | P | 76 | Confident | 82.5 | Confident | 45 Ų | 45 | 30 Ų | 30 | 29% | 0.292 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 154.8 | 158.3 | -10.1 | 28.7 | 0 | 0 | 0 | 108.9 | H262 W393 | P255-H262 CarbonylContact C-O 3.59Å; P255-H262 WeakPolarHBondContact CA-O 3.37Å; P255-W393 VanDerWaalsContact CD-CH2 3.47Å; P255-W393 HydrophobicContact CG-CD2 4.5Å; P255-W393 HydrophobicContact CG-CE3 4.46Å; P255-W393 HydrophobicContact CG-CH2 3.96Å; P255-W393 HydrophobicContact CG-CZ2 3.92Å; P255-W393 HydrophobicContact CG-CZ3 4.22Å |
| 256 | L | 71.6 | Confident | 82.3 | Confident | 38 Ų | 38 | 30.1 Ų | 30.1 | 20% | 0.199 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -74.4 | -35 | 174.2 | -176.8 | 62.6 | 0 | 0 | 0 | 112 | H262 Q264 | L256-H262 HydrophobicContact CB-CB 3.77Å; L256-H262 HydrophobicContact CD2-CB 4.07Å; L256-H262 PolarHBondContact N-O 3.47Å; L256-Q264 HydrophobicContact CB-CB 4.46Å; L256-Q264 HydrophobicContact CD1-CB 4.11Å; L256-Q264 HydrophobicContact CD1-CG 4.32Å |
| 257 | A | 64.3 | Low | 82.1 | Confident | 30 Ų | 30 | 25.4 Ų | 25.4 | 25% | 0.248 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -153.6 | 153.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | G259 Q260 | A257-G259 PolarHBondContact O-N 3.43Å; A257-Q260 HydrophobicContact CB-CG 4.15Å; A257-Q260 PolarHBondContact O-N 2.92Å |
| 258 | P | 61.2 | Low | 82.1 | Confident | 90 Ų | 90 | 25.4 Ų | 25.4 | 58% | 0.584 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 129.2 | 175.3 | -24.8 | 34.9 | 0 | 0 | 0 | 112.2 | Q260 P402 P403 | P258-Q260 VanDerWaalsContact C-N 3.32Å; P258-Q260 PolarHBondContact O-N 2.76Å; P258-P402 HydrophobicContact CG-CB 4.15Å; P258-P403 HydrophobicContact CG-CG 4.48Å |
| 259 | G | 58.3 | Low | 82.1 | Confident | 93 Ų | 93 | 24.8 Ų | 24.8 | 96% | 0.959 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | 2.3 | 179 | 0 | 0 | 0 | 0 | 0 | 115.9 | A257 | A257-G259 PolarHBondContact O-N 3.43Š|
| 260 | Q | 65.4 | Low | 82.1 | Confident | 89 Ų | 89 | 24.8 Ų | 24.8 | 42% | 0.416 | 17% | 0.166 | S | C | . | . | trans | -98.6 | 140 | 169.3 | -62.8 | -173.7 | 9.2 | 0 | 0 | 111 | A257 P258 H262 | A257-Q260 HydrophobicContact CB-CG 4.15Å; A257-Q260 PolarHBondContact O-N 2.92Å; P258-Q260 VanDerWaalsContact C-N 3.32Å; P258-Q260 PolarHBondContact O-N 2.76Å; Q260-H262 HydrophobicContact CB-CB 4.31Å; Q260-H262 PolarHBondContact O-N 3.45Å; Q260-H262 PolarHBondContact OE1-ND1 3.24Å | ||
| 261 | S | 69.1 | Low | 82.1 | Confident | 50 Ų | 50 | 25.3 Ų | 25.3 | 35% | 0.35 | 17% | 0.168 | S | C | . | . | trans | -79 | 10.3 | 169.8 | 55 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 262 | H | 80.1 | Confident | 82.2 | Confident | 47 Ų | 47 | 27.2 Ų | 27.2 | 22% | 0.218 | 18% | 0.178 | C | C | . | . | trans | -75.3 | 124.8 | 172.6 | -65.8 | 152.2 | 0 | 0 | 0 | 110.2 | P255 L256 Q260 F346 R347 | P255-H262 CarbonylContact C-O 3.59Å; P255-H262 WeakPolarHBondContact CA-O 3.37Å; L256-H262 HydrophobicContact CB-CB 3.77Å; L256-H262 HydrophobicContact CD2-CB 4.07Å; L256-H262 PolarHBondContact N-O 3.47Å; Q260-H262 HydrophobicContact CB-CB 4.31Å; Q260-H262 PolarHBondContact O-N 3.45Å; Q260-H262 PolarHBondContact OE1-ND1 3.24Å; H262-F346 WeakPolarHBondContact CA-O 3.43Å; H262-R347 WeakPolarHBondContact NE2-CD 3.32Å | ||
| 263 | L | 81.9 | Confident | 82.5 | Confident | 9 Ų | 9 | 27.4 Ų | 27.4 | 5% | 0.047 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 128.2 | 176 | -64.1 | 178.2 | 0 | 0 | 0 | 110.1 | W318 C345 F346 I364 W393 | L263-W318 HydrophobicContact CD1-CH2 3.49Å; L263-W318 VanDerWaalsContact CD1-CH2 3.49Å; L263-W318 HydrophobicContact CD1-CZ2 4.18Å; L263-W318 HydrophobicContact CD1-CZ3 3.78Å; L263-W318 HydrophobicContact CG-CH2 3.9Å; L263-W318 HydrophobicContact CG-CZ3 3.95Å; L263-C345 WeakPolarHBondContact O-CA 3.29Å; L263-F346 PolarHBondContact N-O 2.9Å; L263-F346 PolarHBondContact O-N 3.45Å; L263-I364 HydrophobicContact CD1-CB 4.35Å; L263-I364 HydrophobicContact CD1-CG2 3.63Å; L263-W393 HydrophobicContact CD2-CZ2 3.94Å |
| 264 | Q | 85.4 | Confident | 82.9 | Confident | 8 Ų | 8 | 29.7 Ų | 29.7 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 114.7 | 171.4 | -169.5 | -176.3 | 15.2 | 0 | 0 | 109.4 | C253 S254 L256 R266 S343 | C253-Q264 WeakPolarHBondContact CA-O 3.3Å; S254-Q264 PolarHBondContact N-O 3.04Å; S254-Q264 VanDerWaalsContact N-O 3.1Å; S254-Q264 PolarHBondContact O-N 2.89Å; L256-Q264 HydrophobicContact CB-CB 4.46Å; L256-Q264 HydrophobicContact CD1-CB 4.11Å; L256-Q264 HydrophobicContact CD1-CG 4.32Å; Q264-R266 HydrophobicContact CG-CG 4.32Å; Q264-S343 WeakPolarHBondContact CG-OG 3.36Å; Q264-S343 PolarHBondContact NE2-OG 2.76Å |
| 265 | L | 87.8 | Confident | 83.4 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 137.6 | 170.5 | -172.9 | 82.3 | 0 | 0 | 0 | 109.8 | V251 F252 I267 S343 F344 F346 M368 F385 | V251-L265 HydrophobicContact CG1-CD1 3.49Å; V251-L265 VanDerWaalsContact CG1-CD1 3.49Å; V251-L265 HydrophobicContact CG1-CG 4.27Å; F252-L265 CarbonylContact O-C 3.55Å; F252-L265 WeakPolarHBondContact O-CA 3.24Å; L265-I267 HydrophobicContact CD2-CD1 3.53Å; L265-I267 HydrophobicContact CD2-CG1 3.88Å; L265-I267 HydrophobicContact CG-CD1 4.39Å; L265-I267 HydrophobicContact CG-CG1 4.21Å; L265-S343 CarbonylContact O-C 3.59Å; L265-S343 WeakPolarHBondContact O-CA 3.29Å; L265-S343 PolarHBondContact O-OG 3.46Å; L265-F344 HydrophobicContact CB-CB 4.45Å; L265-F344 WeakPolarHBondContact CB-O 3.45Å; L265-F344 HydrophobicContact CD2-CB 4.43Å; L265-F344 PolarHBondContact N-O 2.95Å; L265-F344 PolarHBondContact O-N 3.13Å; L265-F346 HydrophobicContact CB-CD2 4.4Å; L265-F346 HydrophobicContact CB-CE2 3.85Å; L265-F346 HydrophobicContact CD2-CE2 4.14Å; L265-M368 HydrophobicContact CD2-SD 3.76Å; L265-F385 HydrophobicContact CB-CZ 4.34Å; L265-F385 HydrophobicContact CD1-CD1 3.67Å; L265-F385 HydrophobicContact CD1-CD2 3.95Å; L265-F385 HydrophobicContact CD1-CE1 3.38Å; L265-F385 HydrophobicContact CD1-CE2 3.69Å; L265-F385 HydrophobicContact CD1-CG 3.94Å; L265-F385 HydrophobicContact CD1-CZ 3.39Å; L265-F385 HydrophobicContact CD2-CD1 3.94Å; L265-F385 HydrophobicContact CD2-CE1 3.16Å; L265-F385 HydrophobicContact CD2-CZ 3.66Å; L265-F385 HydrophobicContact CG-CD1 4.44Å; L265-F385 HydrophobicContact CG-CE1 3.83Å; L265-F385 HydrophobicContact CG-CZ 3.97Å |
| 266 | R | 90.8 | Very high | 84.3 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 116.8 | 173.5 | -67.3 | 174.4 | -62.6 | -86.4 | -9.2 | 110.1 | F252 S254 Q264 Y268 E284 F341 R342 | F252-R266 HydrophobicContact CB-CB 4.47Å; F252-R266 PolarHBondContact N-O 3.37Å; F252-R266 PolarHBondContact O-N 2.85Å; S254-R266 PolarHBondContact OG-NH1 3.43Å; S254-R266 PolarHBondContact OG-NH2 3.37Å; Q264-R266 HydrophobicContact CG-CG 4.32Å; R266-Y268 HydrophobicContact CB-CE2 4.04Å; R266-E284 WeakPolarHBondContact CD-OE1 3.21Å; R266-E284 IonicContact CZ-OE1 3.17Å; R266-E284 IonicContact CZ-OE2 2.77Å; R266-E284 VanDerWaalsContact CZ-OE2 3.27Å; R266-E284 VanDerWaalsContact NE-CD 3.31Å; R266-E284 IonicContact NE-OE1 2.79Å; R266-E284 PolarHBondContact NE-OE1 3.46Å; R266-E284 IonicContact NE-OE2 2.75Å; R266-E284 PolarHBondContact NE-OE2 3.36Å; R266-E284 IonicContact NH2-OE1 2.7Å; R266-E284 IonicContact NH2-OE2 2.68Å; R266-E284 PolarHBondContact NH2-OE2 2.91Å; R266-F341 HydrophobicContact CB-CD2 3.84Å; R266-F341 HydrophobicContact CB-CE2 4.25Å; R266-F341 HydrophobicContact CG-CD2 3.92Å; R266-F341 HydrophobicContact CG-CE2 3.83Å; R266-R342 CarbonylContact C-O 3.54Å; R266-R342 WeakPolarHBondContact CA-O 3.45Å |
| 267 | I | 93.3 | Very high | 85.3 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 112 | -177.4 | -66.4 | 167.2 | 0 | 0 | 0 | 109.4 | L249 V251 L265 F269 L309 F341 R342 M368 L383 | L249-I267 HydrophobicContact CD2-CG2 4.4Å; V251-I267 HydrophobicContact CG1-CG1 4.14Å; V251-I267 HydrophobicContact CG2-CG1 4.25Å; L265-I267 HydrophobicContact CD2-CD1 3.53Å; L265-I267 HydrophobicContact CD2-CG1 3.88Å; L265-I267 HydrophobicContact CG-CD1 4.39Å; L265-I267 HydrophobicContact CG-CG1 4.21Å; I267-F269 HydrophobicContact CG2-CE2 4.04Å; I267-F269 HydrophobicContact CG2-CZ 4.34Å; I267-L309 HydrophobicContact CB-CD2 3.91Å; I267-L309 HydrophobicContact CD1-CD1 4.19Å; I267-L309 HydrophobicContact CD1-CD2 3.72Å; I267-L309 HydrophobicContact CD1-CG 4.49Å; I267-L309 HydrophobicContact CG1-CD2 4.4Å; I267-L309 HydrophobicContact CG2-CD2 3.99Å; I267-F341 CarbonylContact O-C 3.48Å; I267-F341 WeakPolarHBondContact O-CA 3.46Å; I267-F341 WeakPolarHBondContact O-CB 3.48Å; I267-R342 PolarHBondContact N-O 2.85Å; I267-R342 PolarHBondContact O-N 3.13Å; I267-M368 HydrophobicContact CD1-SD 3.43Å; I267-M368 WeakPolarHBondContact CD1-SD 3.19Å; I267-L383 HydrophobicContact CD1-CD1 4Å; I267-L383 HydrophobicContact CG2-CD1 3.95Å |
| 268 | Y | 95.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 140 | -178.3 | -73.3 | -105.1 | 0 | 0 | 0 | 112.4 | L249 A250 F252 R266 L270 W279 A280 N283 E284 F341 | L249-Y268 WeakPolarHBondContact CA-O 3.26Å; A250-Y268 PolarHBondContact N-O 2.96Å; A250-Y268 PolarHBondContact O-N 3.02Å; F252-Y268 AromaticContact CD2-CD2 3.63Å; F252-Y268 HydrophobicContact CD2-CD2 3.63Å; F252-Y268 AromaticContact CD2-CE2 3.81Å; F252-Y268 HydrophobicContact CD2-CE2 3.81Å; F252-Y268 AromaticContact CE2-CD2 3.98Å; F252-Y268 HydrophobicContact CE2-CD2 3.98Å; F252-Y268 HydrophobicContact CE2-CE2 4.26Å; F252-Y268 HydrophobicContact CG-CE2 4.45Å; R266-Y268 HydrophobicContact CB-CE2 4.04Å; Y268-L270 HydrophobicContact CD1-CD2 4.1Å; Y268-L270 HydrophobicContact CG-CD2 4.37Å; Y268-W279 AromaticContact CD1-CZ3 3.99Å; Y268-W279 HydrophobicContact CD1-CZ3 3.99Å; Y268-W279 HydrophobicContact CE1-CH2 4.36Å; Y268-W279 AromaticContact CE1-CZ3 3.79Å; Y268-W279 HydrophobicContact CE1-CZ3 3.79Å; Y268-A280 HydrophobicContact CD1-CB 3.93Å; Y268-A280 HydrophobicContact CE1-CB 4.19Å; Y268-A280 HydrophobicContact CG-CB 4.18Å; Y268-N283 PolarHBondContact OH-ND2 3.39Å; Y268-E284 HydrophobicContact CE2-CG 3.82Å; Y268-E284 WeakPolarHBondContact CE2-OE1 3.33Å; Y268-E284 VanDerWaalsContact CZ-OE1 3.32Å; Y268-E284 PolarHBondContact OH-OE1 3.34Å; Y268-F341 HydrophobicContact CD1-CB 3.7Å; Y268-F341 HydrophobicContact CD1-CD1 4.36Å; Y268-F341 HydrophobicContact CD1-CG 4.35Å; Y268-F341 HydrophobicContact CD2-CB 3.77Å; Y268-F341 HydrophobicContact CD2-CG 4.44Å; Y268-F341 HydrophobicContact CE1-CB 3.87Å; Y268-F341 AromaticContact CE1-CD1 3.75Å; Y268-F341 HydrophobicContact CE1-CD1 3.75Å; Y268-F341 HydrophobicContact CE1-CG 4.01Å; Y268-F341 HydrophobicContact CE2-CB 3.94Å; Y268-F341 HydrophobicContact CE2-CG 4.11Å; Y268-F341 HydrophobicContact CG-CB 3.64Å; Y268-F341 AromaticContact CZ-CD1 3.86Å; Y268-F341 AromaticContact CZ-CG 3.88Å |
| 269 | F | 95.3 | Very high | 88.1 | Confident | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.009 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 85.8 | 176.7 | -68.1 | -98.4 | 0 | 0 | 0 | 109.4 | L249 I267 F298 Q307 L309 V329 I334 P340 | L249-F269 HydrophobicContact CD2-CD1 3.51Å; L249-F269 HydrophobicContact CD2-CE1 3.4Å; L249-F269 VanDerWaalsContact CD2-CE1 3.4Å; L249-F269 HydrophobicContact CD2-CE2 4.49Å; L249-F269 HydrophobicContact CD2-CG 4.12Å; L249-F269 HydrophobicContact CD2-CZ 3.93Å; I267-F269 HydrophobicContact CG2-CE2 4.04Å; I267-F269 HydrophobicContact CG2-CZ 4.34Å; F269-F298 HydrophobicContact CD1-CE1 4.45Å; F269-F298 HydrophobicContact CD1-CZ 4.1Å; F269-F298 HydrophobicContact CE1-CZ 4.41Å; F269-Q307 HydrophobicContact CE1-CG 3.85Å; F269-L309 HydrophobicContact CE2-CD2 4.22Å; F269-L309 HydrophobicContact CZ-CB 4.27Å; F269-L309 HydrophobicContact CZ-CD2 4.2Å; F269-V329 HydrophobicContact CD2-CG1 4.37Å; F269-V329 HydrophobicContact CD2-CG2 4.1Å; F269-V329 HydrophobicContact CE2-CG2 3.73Å; F269-V329 HydrophobicContact CZ-CG2 4.02Å; F269-I334 HydrophobicContact CB-CD1 4.09Å; F269-I334 HydrophobicContact CB-CG1 3.95Å; F269-I334 HydrophobicContact CD1-CD1 3.89Å; F269-I334 HydrophobicContact CG-CD1 4.08Å; F269-I334 HydrophobicContact CG-CG1 4.45Å; F269-P340 HydrophobicContact CB-CG 4.34Å; F269-P340 PolarHBondContact N-O 2.93Å |
| 270 | L | 96.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 148 | -169.1 | -54.1 | 178.5 | 0 | 0 | 0 | 111.7 | L247 Q248 A250 Y268 A276 L277 A280 C339 | L247-L270 CarbonylContact C-O 3.54Å; L247-L270 VanDerWaalsContact CA-O 3.26Å; L247-L270 WeakPolarHBondContact CA-O 3.5Å; L247-L270 WeakPolarHBondContact CB-O 3.46Å; L247-L270 WeakPolarHBondContact CD2-O 3.38Å; Q248-L270 HydrophobicContact CG-CB 3.7Å; Q248-L270 HydrophobicContact CG-CD1 4.37Å; Q248-L270 PolarHBondContact N-O 2.82Å; Q248-L270 PolarHBondContact O-N 3Å; A250-L270 HydrophobicContact CB-CD1 3.75Å; Y268-L270 HydrophobicContact CD1-CD2 4.1Å; Y268-L270 HydrophobicContact CG-CD2 4.37Å; L270-A276 HydrophobicContact CB-CB 4.25Å; L270-L277 HydrophobicContact CD1-CB 4.42Å; L270-L277 HydrophobicContact CD1-CD1 4.14Å; L270-A280 HydrophobicContact CD1-CB 3.8Å; L270-A280 HydrophobicContact CD2-CB 4.08Å; L270-C339 HydrophobicContact CD2-CB 3.49Å; L270-C339 VanDerWaalsContact CD2-CB 3.49Å |
| 271 | N | 96.1 | Very high | 90.9 | Very high | 10 Ų | 10 | 22.6 Ų | 22.6 | 5% | 0.053 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 140.3 | 161 | -86.3 | -8.6 | 0 | 0 | 0 | 109.2 | L159 C184 K245 Q248 T273 A276 | L159-N271 PolarHBondContact O-ND2 2.67Å; C184-N271 HydrophobicContact CB-CB 4.45Å; C184-N271 PolarHBondContact SG-OD1 2.82Å; K245-N271 PolarHBondContact NZ-OD1 2.89Å; Q248-N271 PolarHBondContact NE2-O 3.35Å; N271-T273 PolarHBondContact O-N 2.83Å; N271-A276 HydrophobicContact CB-CB 4.31Å |
| 272 | N | 96.4 | Very high | 91.8 | Very high | 52 Ų | 52 | 22.7 Ų | 22.7 | 28% | 0.278 | 12% | 0.118 | S | C | . | . | S | Bend | trans | -73.1 | 71.7 | 172.7 | -173.6 | 15.4 | 0 | 0 | 0 | 111 | C184 W246 L297 | C184-N272 HydrophobicContact CB-CB 3.96Å; W246-N272 HydrophobicContact CB-CB 3.8Å; W246-N272 VanDerWaalsContact O-CB 3.28Å; W246-N272 WeakPolarHBondContact O-CB 3.49Å; W246-N272 PolarHBondContact O-N 2.73Å; W246-N272 VanDerWaalsContact O-N 3.15Å; N272-L297 HydrophobicContact CB-CD2 4.43Å |
| 273 | T | 96 | Very high | 92 | Very high | 4 Ų | 4 | 21.9 Ų | 21.9 | 3% | 0.025 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -144.8 | 141.1 | 176.6 | 52.7 | 0 | 0 | 0 | 0 | 109.1 | K182 C184 Q248 N271 C275 A276 | K182-T273 HydrophobicContact CB-CG2 4.11Å; C184-T273 HydrophobicContact CB-CG2 4.29Å; Q248-T273 PolarHBondContact NE2-O 2.87Å; N271-T273 PolarHBondContact O-N 2.83Å; T273-C275 VanDerWaalsContact C-N 3.3Å; T273-C275 PolarHBondContact O-N 2.99Å; T273-C275 PolarHBondContact OG1-SG 3.22Å; T273-C275 VanDerWaalsContact OG1-SG 3.41Å; T273-A276 PolarHBondContact O-N 2.89Å; T273-A276 VanDerWaalsContact O-N 3.08Å |
| 274 | P | 95.4 | Very high | 92.2 | Very high | 51 Ų | 51 | 21.5 Ų | 21.5 | 33% | 0.331 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -58.9 | -39.7 | -175.8 | -25.3 | 35 | 0 | 0 | 0 | 113.1 | D119 K182 A276 L277 Q278 | D119-P274 CarbonylContact O-C 3.58Å; D119-P274 WeakPolarHBondContact O-CB 3.43Å; K182-P274 HydrophobicContact CG-CG 4.2Å; P274-A276 PolarHBondContact O-N 3.06Å; P274-A276 VanDerWaalsContact O-N 3.11Å; P274-L277 PolarHBondContact O-N 3.27Å; P274-L277 VanDerWaalsContact O-N 3.11Å; P274-Q278 PolarHBondContact O-N 3Å |
| 275 | C | 94.5 | Very high | 92.1 | Very high | 7 Ų | 7 | 27.8 Ų | 27.8 | 5% | 0.047 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.2 | -24 | 177.2 | 66.4 | 0 | 0 | 0 | 0 | 115.2 | A120 L143 W145 T273 W279 | A120-C275 HydrophobicContact CB-CB 3.89Å; A120-C275 PolarHBondContact O-N 3.16Å; L143-C275 HydrophobicContact CD2-CB 3.98Å; W145-C275 PolarHBondContact NE1-O 2.76Å; T273-C275 VanDerWaalsContact C-N 3.3Å; T273-C275 PolarHBondContact O-N 2.99Å; T273-C275 PolarHBondContact OG1-SG 3.22Å; T273-C275 VanDerWaalsContact OG1-SG 3.41Å; C275-W279 WeakPolarHBondContact O-CB 3.36Å; C275-W279 PolarHBondContact O-N 2.77Å; C275-W279 VanDerWaalsContact O-N 3.16Å |
| 276 | A | 94.9 | Very high | 91.6 | Very high | 6 Ų | 6 | 31.2 Ų | 31.2 | 5% | 0.05 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -83.7 | -36.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L270 N271 T273 P274 W279 A280 | L270-A276 HydrophobicContact CB-CB 4.25Å; N271-A276 HydrophobicContact CB-CB 4.31Å; T273-A276 PolarHBondContact O-N 2.89Å; T273-A276 VanDerWaalsContact O-N 3.08Å; P274-A276 PolarHBondContact O-N 3.06Å; P274-A276 VanDerWaalsContact O-N 3.11Å; A276-W279 PolarHBondContact O-N 3.02Å; A276-A280 PolarHBondContact O-N 3.5Å; A276-A280 VanDerWaalsContact O-N 3.1Å |
| 277 | L | 94.6 | Very high | 90.7 | Very high | 37 Ų | 37 | 32 Ų | 32 | 19% | 0.194 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.4 | -41.2 | 170 | -178.3 | 58.4 | 0 | 0 | 0 | 111 | A250 L270 P274 W279 A280 L281 | A250-L277 HydrophobicContact CB-CD1 4Å; L270-L277 HydrophobicContact CD1-CB 4.42Å; L270-L277 HydrophobicContact CD1-CD1 4.14Å; P274-L277 PolarHBondContact O-N 3.27Å; P274-L277 VanDerWaalsContact O-N 3.11Å; L277-W279 VanDerWaalsContact C-N 3.31Å; L277-W279 PolarHBondContact O-N 2.64Å; L277-A280 PolarHBondContact O-N 2.9Å; L277-L281 HydrophobicContact CD1-CD1 4.49Å; L277-L281 HydrophobicContact CD1-CG 4.46Å; L277-L281 HydrophobicContact CG-CD1 4.06Å; L277-L281 WeakPolarHBondContact O-CB 3.42Å; L277-L281 WeakPolarHBondContact O-CG 3.43Å; L277-L281 PolarHBondContact O-N 3.37Å |
| 278 | Q | 92.7 | Very high | 90 | Very high | 64 Ų | 64 | 33.9 Ų | 33.9 | 30% | 0.299 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.4 | -36.2 | 175.1 | -168.1 | 64.5 | 5.4 | 0 | 0 | 112.5 | D119 W145 P274 T282 | D119-Q278 HydrophobicContact CB-CG 4.22Å; W145-Q278 HydrophobicContact CZ2-CB 4.38Å; W145-Q278 HydrophobicContact CZ2-CG 4.22Å; P274-Q278 PolarHBondContact O-N 3Å; Q278-T282 WeakPolarHBondContact O-CB 3.38Å; Q278-T282 PolarHBondContact O-N 2.88Å; Q278-T282 PolarHBondContact O-OG1 3.29Å |
| 279 | W | 90.8 | Very high | 89.4 | Confident | 60 Ų | 60 | 34.6 Ų | 34.6 | 23% | 0.227 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.7 | -49.1 | 170.9 | 178.3 | 85.2 | 0 | 0 | 0 | 111.5 | W145 Y268 C275 A276 L277 L281 T282 N283 C339 | W145-W279 HydrophobicContact CD2-CB 4.39Å; W145-W279 AromaticContact CD2-CD1 3.81Å; W145-W279 AromaticContact CG-CD1 3.88Å; W145-W279 HydrophobicContact CZ2-CB 4.12Å; Y268-W279 AromaticContact CD1-CZ3 3.99Å; Y268-W279 HydrophobicContact CD1-CZ3 3.99Å; Y268-W279 HydrophobicContact CE1-CH2 4.36Å; Y268-W279 AromaticContact CE1-CZ3 3.79Å; Y268-W279 HydrophobicContact CE1-CZ3 3.79Å; C275-W279 WeakPolarHBondContact O-CB 3.36Å; C275-W279 PolarHBondContact O-N 2.77Å; C275-W279 VanDerWaalsContact O-N 3.16Å; A276-W279 PolarHBondContact O-N 3.02Å; L277-W279 VanDerWaalsContact C-N 3.31Å; L277-W279 PolarHBondContact O-N 2.64Å; W279-L281 PolarHBondContact O-N 2.73Å; W279-T282 WeakPolarHBondContact O-CB 3.47Å; W279-T282 PolarHBondContact O-N 3.27Å; W279-T282 VanDerWaalsContact O-N 3.12Å; W279-N283 HydrophobicContact CH2-CB 4.48Å; W279-N283 WeakPolarHBondContact O-CB 3.34Å; W279-N283 PolarHBondContact O-N 2.97Å; W279-C339 HydrophobicContact CD2-CB 4.41Å; W279-C339 HydrophobicContact CE3-CB 3.53Å; W279-C339 HydrophobicContact CH2-CB 4.2Å; W279-C339 HydrophobicContact CZ3-CB 3.41Å; W279-C339 VanDerWaalsContact CZ3-CB 3.41Å; W279-C339 WeakPolarHBondContact CZ3-O 3.2Å |
| 280 | A | 92.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63 | -42.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F252 Y268 L270 A276 L277 T282 N283 E284 | F252-A280 HydrophobicContact CE2-CB 4.06Å; F252-A280 HydrophobicContact CZ-CB 4.22Å; Y268-A280 HydrophobicContact CD1-CB 3.93Å; Y268-A280 HydrophobicContact CE1-CB 4.19Å; Y268-A280 HydrophobicContact CG-CB 4.18Å; L270-A280 HydrophobicContact CD1-CB 3.8Å; L270-A280 HydrophobicContact CD2-CB 4.08Å; A276-A280 PolarHBondContact O-N 3.5Å; A276-A280 VanDerWaalsContact O-N 3.1Å; L277-A280 PolarHBondContact O-N 2.9Å; A280-T282 VanDerWaalsContact C-N 3.27Å; A280-T282 PolarHBondContact O-N 3.14Å; A280-N283 PolarHBondContact O-N 2.97Å; A280-E284 WeakPolarHBondContact O-CB 3.39Å; A280-E284 VanDerWaalsContact O-CG 3.3Å; A280-E284 WeakPolarHBondContact O-CG 3.43Å; A280-E284 PolarHBondContact O-N 2.9Å |
| 281 | L | 90.6 | Very high | 88.6 | Confident | 63 Ų | 63 | 42 Ų | 42 | 33% | 0.33 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.2 | -38.9 | 172.8 | -73.3 | 163.8 | 0 | 0 | 0 | 112.1 | F252 L277 W279 Q285 L291 | F252-L281 HydrophobicContact CE1-CD2 3.91Å; F252-L281 HydrophobicContact CZ-CD2 3.98Å; F252-L281 HydrophobicContact CZ-CG 4.24Å; L277-L281 HydrophobicContact CD1-CD1 4.49Å; L277-L281 HydrophobicContact CD1-CG 4.46Å; L277-L281 HydrophobicContact CG-CD1 4.06Å; L277-L281 WeakPolarHBondContact O-CB 3.42Å; L277-L281 WeakPolarHBondContact O-CG 3.43Å; L277-L281 PolarHBondContact O-N 3.37Å; W279-L281 PolarHBondContact O-N 2.73Å; L281-Q285 WeakPolarHBondContact O-CG 3.2Å; L281-Q285 PolarHBondContact O-N 2.85Å; L281-L291 HydrophobicContact CD2-CB 4.49Å |
| 282 | T | 86.9 | Confident | 88.3 | Confident | 53 Ų | 53 | 43.4 Ų | 43.4 | 33% | 0.325 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -71.9 | -38.3 | 176.5 | -53.8 | 0 | 0 | 0 | 0 | 111.5 | W145 Q278 W279 A280 E284 | W145-T282 HydrophobicContact CH2-CG2 4.48Å; W145-T282 HydrophobicContact CZ3-CG2 4.3Å; Q278-T282 WeakPolarHBondContact O-CB 3.38Å; Q278-T282 PolarHBondContact O-N 2.88Å; Q278-T282 PolarHBondContact O-OG1 3.29Å; W279-T282 WeakPolarHBondContact O-CB 3.47Å; W279-T282 PolarHBondContact O-N 3.27Å; W279-T282 VanDerWaalsContact O-N 3.12Å; A280-T282 VanDerWaalsContact C-N 3.27Å; A280-T282 PolarHBondContact O-N 3.14Å; T282-E284 VanDerWaalsContact C-N 3.32Å; T282-E284 PolarHBondContact O-N 2.89Å |
| 283 | N | 84.9 | Confident | 87.7 | Confident | 30 Ų | 30 | 43.5 Ų | 43.5 | 16% | 0.16 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.9 | -29.9 | 178.2 | -164.4 | 47.1 | 0 | 0 | 0 | 112.7 | Y268 W279 A280 H287 N465 | Y268-N283 PolarHBondContact OH-ND2 3.39Å; W279-N283 HydrophobicContact CH2-CB 4.48Å; W279-N283 WeakPolarHBondContact O-CB 3.34Å; W279-N283 PolarHBondContact O-N 2.97Å; A280-N283 PolarHBondContact O-N 2.97Å; N283-H287 PolarHBondContact O-CE1 2.94Å; N283-H287 PolarHBondContact O-ND1 3.38Å; N283-N465 WeakPolarHBondContact ND2-CB 3.39Å; N283-N465 VanDerWaalsContact ND2-CG 3.34Å; N283-N465 PolarHBondContact ND2-ND2 2.9Å; N283-N465 PolarHBondContact O-ND2 2.84Å; N283-N465 PolarHBondContact OD1-ND2 2.87Å |
| 284 | E | 86.1 | Confident | 87.4 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -86.8 | -20.2 | -178.5 | -74.6 | -76.7 | 133 | 0 | 0 | 114 | F252 R266 Y268 A280 T282 H287 G288 G289 | F252-E284 HydrophobicContact CB-CG 4.12Å; F252-E284 WeakPolarHBondContact CB-OE2 3.34Å; F252-E284 HydrophobicContact CD1-CB 3.69Å; F252-E284 HydrophobicContact CD1-CG 3.45Å; F252-E284 VanDerWaalsContact CD1-CG 3.45Å; F252-E284 HydrophobicContact CD2-CG 4Å; F252-E284 HydrophobicContact CE1-CB 3.76Å; F252-E284 HydrophobicContact CE1-CG 3.71Å; F252-E284 HydrophobicContact CE2-CG 4.22Å; F252-E284 HydrophobicContact CG-CB 4.34Å; F252-E284 HydrophobicContact CG-CG 3.6Å; F252-E284 HydrophobicContact CZ-CB 4.48Å; F252-E284 HydrophobicContact CZ-CG 4.09Å; R266-E284 WeakPolarHBondContact CD-OE1 3.21Å; R266-E284 IonicContact CZ-OE1 3.17Å; R266-E284 IonicContact CZ-OE2 2.77Å; R266-E284 VanDerWaalsContact CZ-OE2 3.27Å; R266-E284 VanDerWaalsContact NE-CD 3.31Å; R266-E284 IonicContact NE-OE1 2.79Å; R266-E284 PolarHBondContact NE-OE1 3.46Å; R266-E284 IonicContact NE-OE2 2.75Å; R266-E284 PolarHBondContact NE-OE2 3.36Å; R266-E284 IonicContact NH2-OE1 2.7Å; R266-E284 IonicContact NH2-OE2 2.68Å; R266-E284 PolarHBondContact NH2-OE2 2.91Å; Y268-E284 HydrophobicContact CE2-CG 3.82Å; Y268-E284 WeakPolarHBondContact CE2-OE1 3.33Å; Y268-E284 VanDerWaalsContact CZ-OE1 3.32Å; Y268-E284 PolarHBondContact OH-OE1 3.34Å; A280-E284 WeakPolarHBondContact O-CB 3.39Å; A280-E284 VanDerWaalsContact O-CG 3.3Å; A280-E284 WeakPolarHBondContact O-CG 3.43Å; A280-E284 PolarHBondContact O-N 2.9Å; T282-E284 VanDerWaalsContact C-N 3.32Å; T282-E284 PolarHBondContact O-N 2.89Å; E284-H287 PolarHBondContact O-N 3.27Å; E284-H287 VanDerWaalsContact O-N 3.1Å; E284-G288 PolarHBondContact O-N 3.15Å; E284-G289 PolarHBondContact O-N 2.76Å; E284-G289 WeakPolarHBondContact OE2-CA 3.36Å |
| 285 | Q | 82.9 | Confident | 87.3 | Confident | 139 Ų | 139 | 48.3 Ų | 48.3 | 65% | 0.65 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -54.1 | -50.2 | -177.9 | -91.7 | -75.1 | -12.3 | 0 | 0 | 114.9 | L281 H287 G288 | L281-Q285 WeakPolarHBondContact O-CG 3.2Å; L281-Q285 PolarHBondContact O-N 2.85Å; Q285-H287 PolarHBondContact O-N 3.46Å; Q285-G288 PolarHBondContact O-N 2.85Å |
| 286 | P | 77 | Confident | 87.2 | Confident | 73 Ų | 73 | 50.5 Ų | 50.5 | 47% | 0.474 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -65.1 | -16.2 | -178.5 | -15.2 | 28.1 | 0 | 0 | 0 | 113.2 | P403 | P286-P403 WeakPolarHBondContact O-CA 3.47Å; P286-P403 VanDerWaalsContact O-CB 3.24Å; P286-P403 WeakPolarHBondContact O-CB 3.48Å |
| 287 | H | 73.6 | Confident | 87.2 | Confident | 19 Ų | 19 | 54.6 Ų | 54.6 | 9% | 0.088 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -104.4 | 7.1 | -171.1 | -44.4 | 106.9 | 0 | 0 | 0 | 112.2 | S254 N283 E284 Q285 G289 P404 N406 N465 | S254-H287 WeakPolarHBondContact CB-O 3.36Å; S254-H287 PolarHBondContact OG-O 2.87Å; N283-H287 PolarHBondContact O-CE1 2.94Å; N283-H287 PolarHBondContact O-ND1 3.38Å; E284-H287 PolarHBondContact O-N 3.27Å; E284-H287 VanDerWaalsContact O-N 3.1Å; Q285-H287 PolarHBondContact O-N 3.46Å; H287-G289 PolarHBondContact O-N 3.23Å; H287-P404 PolarHBondContact CD2-O 3.27Å; H287-N406 PolarHBondContact CD2-ND2 3.16Å; H287-N406 PolarHBondContact CD2-OD1 2.8Å; H287-N406 VanDerWaalsContact CD2-OD1 3.29Å; H287-N406 PolarHBondContact CE1-ND2 3.14Å; H287-N406 PolarHBondContact ND1-ND2 3.16Å; H287-N406 PolarHBondContact NE2-ND2 2.91Å; H287-N406 PolarHBondContact NE2-OD1 3.21Å; H287-N465 PolarHBondContact CE1-ND2 3.1Å; H287-N465 PolarHBondContact ND1-ND2 2.85Å |
| 288 | G | 77.4 | Confident | 87.1 | Confident | 41 Ų | 41 | 53.2 Ų | 53.2 | 42% | 0.423 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 15.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114 | E284 Q285 R290 | E284-G288 PolarHBondContact O-N 3.15Å; Q285-G288 PolarHBondContact O-N 2.85Å; G288-R290 PolarHBondContact O-N 2.9Å |
| 289 | G | 83.2 | Confident | 87.1 | Confident | 14 Ų | 14 | 52.1 Ų | 52.1 | 14% | 0.144 | 30% | 0.296 | C | S | . | . | trans | -68.8 | 120.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E284 H287 | E284-G289 PolarHBondContact O-N 2.76Å; E284-G289 WeakPolarHBondContact OE2-CA 3.36Å; H287-G289 PolarHBondContact O-N 3.23Å | ||
| 290 | R | 85 | Confident | 87.3 | Confident | 101 Ų | 101 | 49.3 Ų | 49.3 | 38% | 0.381 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 131.7 | 172.6 | -59.4 | -164.7 | -173.1 | -72.8 | 6.3 | 110.1 | F252 C253 G288 R292 S392 A394 | F252-R290 WeakPolarHBondContact CA-O 3.38Å; C253-R290 PolarHBondContact N-O 3.18Å; C253-R290 PolarHBondContact O-N 3.36Å; C253-R290 VanDerWaalsContact O-N 3.08Å; G288-R290 PolarHBondContact O-N 2.9Å; R290-R292 PolarHBondContact O-N 2.71Å; R290-S392 PolarHBondContact NE-O 3.13Å; R290-A394 PolarHBondContact NH2-O 3.11Å |
| 291 | L | 90.3 | Very high | 87.3 | Confident | 58 Ų | 58 | 49.4 Ų | 49.4 | 30% | 0.304 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 130 | 170.5 | -176.6 | 72.3 | 0 | 0 | 0 | 109.1 | A250 V251 F252 L281 | A250-L291 HydrophobicContact CB-CD1 3.88Å; V251-L291 CarbonylContact O-C 3.59Å; V251-L291 WeakPolarHBondContact O-CA 3.48Å; F252-L291 HydrophobicContact CD1-CB 4.18Å; F252-L291 HydrophobicContact CD2-CD1 4.22Å; F252-L291 HydrophobicContact CE1-CB 3.87Å; F252-L291 HydrophobicContact CE1-CD1 4.4Å; F252-L291 HydrophobicContact CE2-CD1 3.87Å; F252-L291 HydrophobicContact CZ-CB 4.21Å; F252-L291 HydrophobicContact CZ-CD1 3.97Å; L281-L291 HydrophobicContact CD2-CB 4.49Å |
| 292 | R | 88.3 | Confident | 87.4 | Confident | 39 Ų | 39 | 47.1 Ų | 47.1 | 15% | 0.147 | 28% | 0.277 | C | S | . | . | trans | -115.7 | 112.2 | 179.8 | -61.3 | -62 | -174.9 | 157 | 2.9 | 109.3 | V251 C253 R290 E391 | V251-R292 PolarHBondContact O-N 3.49Å; C253-R292 HydrophobicContact CB-CG 3.9Å; R290-R292 PolarHBondContact O-N 2.71Å; R292-E391 PolarHBondContact NH1-O 2.67Å | ||
| 293 | G | 85.1 | Confident | 87.5 | Confident | 53 Ų | 53 | 48.1 Ų | 48.1 | 55% | 0.546 | 29% | 0.291 | S | S | . | . | S | Bend | trans | 81.1 | 176.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 294 | P | 88.4 | Confident | 87.6 | Confident | 126 Ų | 126 | 50.8 Ų | 50.8 | 82% | 0.818 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -72 | 153.3 | 173.9 | 32 | -35.1 | 0 | 0 | 0 | 111.2 | Q296 | P294-Q296 PolarHBondContact O-N 3.07Š|
| 295 | C | 93.5 | Very high | 87.7 | Confident | 30 Ų | 30 | 51.5 Ų | 51.5 | 20% | 0.203 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -72 | 129.4 | 174.4 | -63.3 | 0 | 0 | 0 | 0 | 110.9 | Q248 L249 | Q248-C295 HydrophobicContact CB-CB 4.19Å; L249-C295 CarbonylContact O-C 3.57Å; L249-C295 VanDerWaalsContact O-CA 3.23Å; L249-C295 WeakPolarHBondContact O-CA 3.39Å |
| 296 | Q | 93.6 | Very high | 88.1 | Confident | 53 Ų | 53 | 48.1 Ų | 48.1 | 25% | 0.248 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 119.4 | -177.1 | 177.9 | 166.1 | -7.1 | 0 | 0 | 111 | Q248 L249 P294 E381 I382 L383 | Q248-Q296 CarbonylContact C-O 3.54Å; Q248-Q296 WeakPolarHBondContact CA-O 3.34Å; L249-Q296 HydrophobicContact CB-CB 4.3Å; L249-Q296 PolarHBondContact N-O 2.88Å; L249-Q296 PolarHBondContact O-N 2.84Å; P294-Q296 PolarHBondContact O-N 3.07Å; Q296-E381 PolarHBondContact NE2-OE2 3.1Å; Q296-I382 PolarHBondContact NE2-O 2.84Å; Q296-I382 PolarHBondContact OE1-O 3.39Å; Q296-L383 HydrophobicContact CB-CD2 4.26Å |
| 297 | L | 93.9 | Very high | 88.8 | Confident | 92 Ų | 92 | 44.8 Ų | 44.8 | 48% | 0.482 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 136.5 | 180 | -61.4 | -175.9 | 0 | 0 | 0 | 111.5 | L247 Q248 N272 | L247-L297 WeakPolarHBondContact O-CA 3.41Å; Q248-L297 HydrophobicContact CB-CD2 3.7Å; N272-L297 HydrophobicContact CB-CD2 4.43Å |
| 298 | F | 93.3 | Very high | 89.7 | Confident | 8 Ų | 8 | 44.4 Ų | 44.4 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 164 | 174.1 | 79.6 | -76.9 | 0 | 0 | 0 | 113.2 | W246 L247 L249 F269 F300 E381 | W246-F298 WeakPolarHBondContact CA-O 3.42Å; L247-F298 HydrophobicContact CB-CD1 3.83Å; L247-F298 HydrophobicContact CB-CE1 3.44Å; L247-F298 VanDerWaalsContact CB-CE1 3.44Å; L247-F298 HydrophobicContact CB-CZ 3.9Å; L247-F298 HydrophobicContact CD1-CE1 4Å; L247-F298 HydrophobicContact CD1-CE2 4.17Å; L247-F298 HydrophobicContact CD1-CZ 3.57Å; L247-F298 HydrophobicContact CG-CE1 4.35Å; L247-F298 HydrophobicContact CG-CZ 4.34Å; L247-F298 PolarHBondContact N-O 2.94Å; L247-F298 PolarHBondContact O-N 2.57Å; L249-F298 HydrophobicContact CD1-CD1 3.81Å; L249-F298 HydrophobicContact CD1-CE1 3.92Å; L249-F298 HydrophobicContact CD2-CD1 4.28Å; L249-F298 HydrophobicContact CD2-CE1 3.58Å; L249-F298 HydrophobicContact CD2-CZ 4.25Å; L249-F298 HydrophobicContact CG-CD1 3.72Å; L249-F298 HydrophobicContact CG-CE1 3.53Å; F269-F298 HydrophobicContact CD1-CE1 4.45Å; F269-F298 HydrophobicContact CD1-CZ 4.1Å; F269-F298 HydrophobicContact CE1-CZ 4.41Å; F298-F300 HydrophobicContact CE2-CB 4.33Å; F298-F300 HydrophobicContact CE2-CD2 4.13Å; F298-F300 HydrophobicContact CZ-CD2 4.45Å; F298-E381 HydrophobicContact CB-CG 3.52Å; F298-E381 HydrophobicContact CD2-CG 4.36Å; F298-E381 HydrophobicContact CG-CG 4.05Å |
| 299 | D | 92.5 | Very high | 90.4 | Very high | 42 Ų | 42 | 42.4 Ų | 42.4 | 23% | 0.225 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 132.7 | 179.3 | -172.1 | 24.3 | 0 | 0 | 0 | 111.4 | Q186 R244 W246 | Q186-D299 PolarHBondContact NE2-OD1 3.07Å; Q186-D299 PolarHBondContact NE2-OD2 3.06Å; R244-D299 WeakPolarHBondContact CB-OD1 3.33Å; R244-D299 WeakPolarHBondContact CD-OD2 3.27Å; R244-D299 IonicContact CZ-OD2 2.73Å; R244-D299 IonicContact NE-OD2 3.64Å; R244-D299 IonicContact NH1-OD2 3.27Å; R244-D299 PolarHBondContact NH1-OD2 2.79Å; W246-D299 HydrophobicContact CE3-CB 4.24Å; W246-D299 HydrophobicContact CH2-CB 4.31Å; W246-D299 HydrophobicContact CZ3-CB 3.8Å |
| 300 | F | 94.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 121.3 | -178.7 | -174 | -82.2 | 0 | 0 | 0 | 111.5 | R244 K245 L247 F298 H331 I334 W335 Q372 | R244-F300 VanDerWaalsContact CA-O 3.29Å; R244-F300 WeakPolarHBondContact CA-O 3.37Å; K245-F300 PolarHBondContact N-O 3.21Å; K245-F300 PolarHBondContact O-N 3.28Å; L247-F300 HydrophobicContact CD1-CB 3.4Å; L247-F300 VanDerWaalsContact CD1-CB 3.4Å; L247-F300 HydrophobicContact CD1-CD1 4.41Å; L247-F300 HydrophobicContact CD1-CD2 3.63Å; L247-F300 HydrophobicContact CD1-CG 3.57Å; L247-F300 HydrophobicContact CG-CB 3.82Å; L247-F300 HydrophobicContact CG-CG 4.44Å; F298-F300 HydrophobicContact CE2-CB 4.33Å; F298-F300 HydrophobicContact CE2-CD2 4.13Å; F298-F300 HydrophobicContact CZ-CD2 4.45Å; F300-H331 AromaticContact CE1-CD2 3.7Å; F300-H331 AromaticContact CE1-NE2 3.86Å; F300-H331 AromaticContact CZ-CD2 3.69Å; F300-I334 HydrophobicContact CD1-CG2 4.22Å; F300-I334 HydrophobicContact CD2-CG2 3.94Å; F300-I334 HydrophobicContact CE1-CB 4.49Å; F300-I334 HydrophobicContact CE1-CG2 4.02Å; F300-I334 HydrophobicContact CE2-CB 4.16Å; F300-I334 HydrophobicContact CE2-CD1 3.75Å; F300-I334 HydrophobicContact CE2-CG2 3.72Å; F300-I334 HydrophobicContact CG-CG2 4.19Å; F300-I334 HydrophobicContact CZ-CB 3.96Å; F300-I334 HydrophobicContact CZ-CD1 4.26Å; F300-I334 HydrophobicContact CZ-CG2 3.75Å; F300-W335 AromaticContact CD1-CE3 3.76Å; F300-W335 HydrophobicContact CD1-CE3 3.76Å; F300-W335 HydrophobicContact CD1-CZ3 4.1Å; F300-W335 HydrophobicContact CE1-CB 4.46Å; F300-W335 AromaticContact CE1-CE3 3.8Å; F300-W335 HydrophobicContact CE1-CE3 3.8Å; F300-Q372 HydrophobicContact CD2-CG 4.01Å; F300-Q372 HydrophobicContact CE2-CG 4.01Å; F300-Q372 VanDerWaalsContact CE2-NE2 3.26Å; F300-Q372 VanDerWaalsContact CZ-NE2 3.31Å |
| 301 | S | 93.3 | Very high | 91.1 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 131 | 177.4 | 173.9 | 0 | 0 | 0 | 0 | 112.5 | E242 A303 Q372 | E242-S301 VanDerWaalsContact CD-OG 3.28Å; E242-S301 WeakPolarHBondContact CG-OG 3.34Å; E242-S301 VanDerWaalsContact OE1-CB 3.28Å; E242-S301 WeakPolarHBondContact OE1-CB 3.21Å; E242-S301 PolarHBondContact OE1-OG 3.49Å; S301-A303 PolarHBondContact O-N 3.42Å; S301-A303 PolarHBondContact OG-N 2.9Å; S301-A303 VanDerWaalsContact OG-N 3.08Å; S301-Q372 PolarHBondContact O-NE2 3.1Å |
| 302 | G | 91.2 | Very high | 91.2 | Very high | 14 Ų | 14 | 44.5 Ų | 44.5 | 14% | 0.144 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 0.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | A243 H331 W335 | A243-G302 PolarHBondContact O-N 3.02Å; G302-H331 WeakPolarHBondContact CA-NE2 3.28Å; G302-W335 VanDerWaalsContact CA-CH2 3.4Å; G302-W335 VanDerWaalsContact CA-CZ3 3.44Å |
| 303 | A | 88.7 | Confident | 91.4 | Very high | 75 Ų | 75 | 48.5 Ų | 48.5 | 62% | 0.62 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | 1.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E242 S301 | E242-A303 HydrophobicContact CG-CB 4.03Å; S301-A303 PolarHBondContact O-N 3.42Å; S301-A303 PolarHBondContact OG-N 2.9Å; S301-A303 VanDerWaalsContact OG-N 3.08Å |
| 304 | R | 87.8 | Confident | 91.7 | Very high | 86 Ų | 86 | 47.7 Ų | 47.7 | 33% | 0.325 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -106.9 | 173.1 | -176.3 | -70.6 | -172.6 | 173.4 | -82.2 | -12.3 | 112.7 | H331 Q372 D373 L375 | R304-H331 PolarHBondContact O-CD2 2.93Å; R304-Q372 HydrophobicContact CB-CB 4.27Å; R304-D373 PolarHBondContact NH1-O 2.81Å; R304-L375 VanDerWaalsContact CZ-CD2 3.45Å |
| 305 | G | 88.5 | Confident | 91.7 | Very high | 15 Ų | 15 | 42.2 Ų | 42.2 | 16% | 0.155 | 22% | 0.219 | C | C | . | . | trans | -76.4 | -157.9 | 170 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 306 | D | 90.9 | Very high | 91.3 | Very high | 69 Ų | 69 | 48.6 Ų | 48.6 | 37% | 0.369 | 25% | 0.246 | S | C | . | . | trans | -69.9 | 170.1 | -176.1 | -57.6 | -34.9 | 0 | 0 | 0 | 112.4 | V329 P330 H331 D373 | D306-V329 WeakPolarHBondContact CB-O 3.48Å; D306-P330 WeakPolarHBondContact OD1-CA 3.35Å; D306-H331 WeakPolarHBondContact OD1-CB 3.35Å; D306-H331 PolarHBondContact OD1-N 2.89Å; D306-D373 PolarHBondContact O-N 3.25Å | ||
| 307 | Q | 92.6 | Very high | 90.7 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 124.6 | 176.6 | -172.2 | 101.9 | 12.3 | 0 | 0 | 109.7 | F269 L328 V329 I334 T370 F371 | F269-Q307 HydrophobicContact CE1-CG 3.85Å; Q307-L328 CarbonylContact O-C 3.55Å; Q307-L328 WeakPolarHBondContact O-CA 3.5Å; Q307-V329 HydrophobicContact CB-CB 4.34Å; Q307-V329 PolarHBondContact N-O 3.05Å; Q307-V329 VanDerWaalsContact N-O 3.09Å; Q307-V329 PolarHBondContact O-N 2.86Å; Q307-I334 HydrophobicContact CB-CD1 3.97Å; Q307-T370 VanDerWaalsContact CG-OG1 3.3Å; Q307-T370 WeakPolarHBondContact CG-OG1 3.22Å; Q307-T370 PolarHBondContact NE2-OG1 2.74Å; Q307-F371 CarbonylContact C-O 3.57Å; Q307-F371 WeakPolarHBondContact CA-O 3.47Å; Q307-F371 WeakPolarHBondContact CG-O 3.29Å |
| 308 | C | 91.8 | Very high | 90.4 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 7% | 0.074 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 134.6 | 165.1 | 168 | 0 | 0 | 0 | 0 | 109.2 | C326 L328 T370 F371 | C308-C326 WeakPolarHBondContact CB-SG 3.49Å; C308-C326 WeakPolarHBondContact SG-CB 3.26Å; C308-C326 CovalentContact SG-SG 2.05Å; C308-C326 PolarHBondContact SG-SG 2.76Å; C308-L328 HydrophobicContact CB-CD2 3.84Å; C308-T370 VanDerWaalsContact O-CA 3.3Å; C308-T370 WeakPolarHBondContact O-CA 3.38Å; C308-T370 PolarHBondContact O-OG1 3.2Å; C308-F371 HydrophobicContact CB-CD2 4.32Å; C308-F371 HydrophobicContact CB-CE1 4.3Å; C308-F371 HydrophobicContact CB-CE2 3.56Å; C308-F371 HydrophobicContact CB-CZ 3.55Å; C308-F371 PolarHBondContact N-O 2.73Å; C308-F371 PolarHBondContact O-N 2.83Å; C308-F371 VanDerWaalsContact O-N 3.16Å; C308-F371 VanDerWaalsContact SG-CZ 3.57Å |
| 309 | L | 92.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 110.3 | 164.3 | 172.3 | 59.5 | 0 | 0 | 0 | 107.8 | I267 F269 C326 Q327 R342 F344 M368 L383 | I267-L309 HydrophobicContact CB-CD2 3.91Å; I267-L309 HydrophobicContact CD1-CD1 4.19Å; I267-L309 HydrophobicContact CD1-CD2 3.72Å; I267-L309 HydrophobicContact CD1-CG 4.49Å; I267-L309 HydrophobicContact CG1-CD2 4.4Å; I267-L309 HydrophobicContact CG2-CD2 3.99Å; F269-L309 HydrophobicContact CE2-CD2 4.22Å; F269-L309 HydrophobicContact CZ-CB 4.27Å; F269-L309 HydrophobicContact CZ-CD2 4.2Å; L309-C326 VanDerWaalsContact O-CA 3.3Å; L309-C326 WeakPolarHBondContact O-CA 3.42Å; L309-Q327 PolarHBondContact N-O 2.95Å; L309-Q327 PolarHBondContact O-N 3.07Å; L309-R342 HydrophobicContact CD2-CB 3.93Å; L309-F344 HydrophobicContact CD2-CE2 3.73Å; L309-F344 HydrophobicContact CG-CE2 4.01Å; L309-F344 HydrophobicContact CG-CZ 4.37Å; L309-M368 HydrophobicContact CD1-CB 3.85Å; L309-M368 HydrophobicContact CD1-CE 4.26Å; L309-M368 HydrophobicContact CD1-SD 4.37Å; L309-M368 HydrophobicContact CG-CE 4.14Å; L309-L383 HydrophobicContact CD1-CD1 3.98Å |
| 310 | K | 91.8 | Very high | 89.8 | Confident | 82 Ų | 82 | 44.4 Ų | 44.4 | 36% | 0.357 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 118.4 | -173 | -170.3 | 155.4 | -171.3 | 164.3 | 0 | 112.2 | S325 C326 M368 H369 F371 | K310-S325 CarbonylContact C-O 3.54Å; K310-S325 VanDerWaalsContact CA-O 3.3Å; K310-S325 WeakPolarHBondContact CA-O 3.26Å; K310-C326 HydrophobicContact CB-CB 4.19Å; K310-C326 HydrophobicContact CD-CB 4.33Å; K310-C326 HydrophobicContact CG-CB 4.19Å; K310-M368 CarbonylContact O-C 3.52Å; K310-M368 WeakPolarHBondContact O-CA 3.4Å; K310-H369 PolarHBondContact N-O 3.32Å; K310-H369 PolarHBondContact O-N 3.18Å; K310-F371 HydrophobicContact CB-CE1 4.32Å |
| 311 | L | 91.4 | Very high | 89.2 | Confident | 18 Ų | 18 | 47.3 Ų | 47.3 | 9% | 0.094 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 136.6 | 165.5 | -175.4 | 61.9 | 0 | 0 | 0 | 110.4 | I314 N320 S325 F346 V366 M368 | L311-I314 HydrophobicContact CD1-CG1 3.94Å; L311-I314 HydrophobicContact CD2-CD1 3.86Å; L311-I314 HydrophobicContact CD2-CG1 4.15Å; L311-I314 HydrophobicContact CG-CG1 4.37Å; L311-N320 HydrophobicContact CD2-CB 3.94Å; L311-N320 WeakPolarHBondContact CD2-OD1 3.18Å; L311-S325 WeakPolarHBondContact CB-O 3.35Å; L311-S325 PolarHBondContact N-O 2.78Å; L311-F346 HydrophobicContact CD1-CE1 4.18Å; L311-F346 HydrophobicContact CD1-CZ 4.3Å; L311-F346 HydrophobicContact CD2-CE1 4.31Å; L311-V366 HydrophobicContact CD1-CG1 3.48Å; L311-V366 VanDerWaalsContact CD1-CG1 3.48Å; L311-M368 HydrophobicContact CB-CE 3.94Å; L311-M368 HydrophobicContact CD1-CE 4.15Å; L311-M368 HydrophobicContact CD1-CG 4.27Å |
| 312 | K | 92.6 | Very high | 88.5 | Confident | 117 Ų | 117 | 47.9 Ų | 47.9 | 51% | 0.509 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | -32 | -179 | -72.3 | -68 | -166.7 | 159.6 | 0 | 114.2 | T367 H369 | K312-T367 PolarHBondContact N-O 3.18Å; K312-H369 HydrophobicContact CG-CB 4.03Å |
| 313 | Y | 92 | Very high | 87.4 | Confident | 122 Ų | 122 | 55.8 Ų | 55.8 | 48% | 0.478 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 143 | -179.3 | 174.1 | -95.6 | 0 | 0 | 0 | 109.6 | I365 V366 T367 | Y313-I365 HydrophobicContact CE1-CG2 4.37Å; Y313-V366 VanDerWaalsContact O-CA 3.31Å; Y313-V366 WeakPolarHBondContact O-CA 3.45Å; Y313-V366 WeakPolarHBondContact O-CG1 3.4Å; Y313-T367 PolarHBondContact N-O 2.89Å; Y313-T367 PolarHBondContact O-N 2.99Å |
| 314 | I | 90.9 | Very high | 87 | Confident | 36 Ų | 36 | 55 Ų | 55 | 19% | 0.185 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 144.9 | 165.4 | -51.4 | 168.8 | 0 | 0 | 0 | 105.6 | L311 W318 N320 F346 I364 I365 V366 | L311-I314 HydrophobicContact CD1-CG1 3.94Å; L311-I314 HydrophobicContact CD2-CD1 3.86Å; L311-I314 HydrophobicContact CD2-CG1 4.15Å; L311-I314 HydrophobicContact CG-CG1 4.37Å; I314-W318 HydrophobicContact CG2-CB 3.53Å; I314-N320 HydrophobicContact CD1-CB 3.98Å; I314-F346 HydrophobicContact CD1-CD1 3.95Å; I314-F346 HydrophobicContact CD1-CE1 3.85Å; I314-F346 HydrophobicContact CG1-CD1 4.39Å; I314-F346 HydrophobicContact CG1-CE1 4.06Å; I314-I364 HydrophobicContact CG2-CD1 4.12Å; I314-I364 HydrophobicContact CG2-CG1 4.16Å; I314-I365 CarbonylContact C-O 3.57Å; I314-I365 WeakPolarHBondContact CA-O 3.27Å; I314-V366 HydrophobicContact CB-CG2 4.41Å; I314-V366 HydrophobicContact CG1-CG2 4.28Å; I314-V366 HydrophobicContact CG2-CG2 4.09Å |
| 315 | S | 88.4 | Confident | 87 | Confident | 11 Ų | 11 | 53.7 Ų | 53.7 | 8% | 0.077 | 28% | 0.279 | C | S | . | . | trans | -60.4 | 158.1 | 171.1 | 49.8 | 0 | 0 | 0 | 0 | 112.7 | W318 I364 I365 | S315-W318 PolarHBondContact O-N 2.85Å; S315-I364 WeakPolarHBondContact OG-CA 3.3Å; S315-I365 PolarHBondContact N-O 3.01Å; S315-I365 PolarHBondContact OG-N 3.03Å | ||
| 316 | E | 84.7 | Confident | 86.9 | Confident | 164 Ų | 164 | 54.5 Ų | 54.5 | 77% | 0.766 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 152.8 | 173 | -170.2 | 157.8 | -149.8 | 0 | 0 | 111.5 | W318 | E316-W318 PolarHBondContact O-N 3.21Š|
| 317 | G | 82.8 | Confident | 86.7 | Confident | 7 Ų | 7 | 53.1 Ų | 53.1 | 7% | 0.072 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | -8.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | R348 K349 L360 | G317-R348 CarbonylContact O-C 3.57Å; G317-R348 WeakPolarHBondContact O-CA 3.49Å; G317-K349 PolarHBondContact O-N 2.91Å; G317-L360 VanDerWaalsContact CA-CD2 3.44Å |
| 318 | W | 86.8 | Confident | 86.4 | Confident | 7 Ų | 7 | 58.2 Ų | 58.2 | 3% | 0.027 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 158.7 | 179.8 | -66.6 | 87.3 | 0 | 0 | 0 | 112.7 | L263 I314 S315 E316 F346 R347 R348 K349 E363 I364 | L263-W318 HydrophobicContact CD1-CH2 3.49Å; L263-W318 VanDerWaalsContact CD1-CH2 3.49Å; L263-W318 HydrophobicContact CD1-CZ2 4.18Å; L263-W318 HydrophobicContact CD1-CZ3 3.78Å; L263-W318 HydrophobicContact CG-CH2 3.9Å; L263-W318 HydrophobicContact CG-CZ3 3.95Å; I314-W318 HydrophobicContact CG2-CB 3.53Å; S315-W318 PolarHBondContact O-N 2.85Å; E316-W318 PolarHBondContact O-N 3.21Å; W318-F346 HydrophobicContact CE3-CB 4.16Å; W318-R347 CarbonylContact C-O 3.53Å; W318-R347 WeakPolarHBondContact CA-O 3.23Å; W318-R348 HydrophobicContact CE3-CB 4.41Å; W318-R348 HydrophobicContact CH2-CB 4.45Å; W318-R348 HydrophobicContact CZ3-CB 4.31Å; W318-K349 WeakPolarHBondContact O-CE 3.43Å; W318-E363 PolarHBondContact NE1-O 3.26Å; W318-I364 HydrophobicContact CB-CD1 4.15Å; W318-I364 HydrophobicContact CB-CG1 4.08Å; W318-I364 HydrophobicContact CD2-CB 3.88Å; W318-I364 HydrophobicContact CD2-CD1 3.91Å; W318-I364 HydrophobicContact CD2-CG1 3.83Å; W318-I364 HydrophobicContact CE3-CB 4.41Å; W318-I364 HydrophobicContact CE3-CD1 3.89Å; W318-I364 HydrophobicContact CE3-CG1 4.31Å; W318-I364 HydrophobicContact CG-CB 4.13Å; W318-I364 HydrophobicContact CG-CD1 4.04Å; W318-I364 HydrophobicContact CG-CG1 3.71Å; W318-I364 HydrophobicContact CZ2-CB 4.22Å |
| 319 | E | 86.4 | Confident | 86.2 | Confident | 55 Ų | 55 | 57.7 Ų | 57.7 | 26% | 0.257 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 157.1 | 175.8 | 56.8 | -177 | -156.2 | 0 | 0 | 112.8 | F346 R347 K349 | E319-F346 CarbonylContact O-C 3.46Å; E319-F346 VanDerWaalsContact O-CA 3.28Å; E319-F346 WeakPolarHBondContact O-CA 3.34Å; E319-R347 HydrophobicContact CG-CB 4.21Å; E319-R347 PolarHBondContact N-O 3.32Å; E319-R347 PolarHBondContact O-N 2.88Å; E319-R347 IonicContact OE1-CZ 3.17Å; E319-R347 IonicContact OE1-NE 2.76Å; E319-R347 PolarHBondContact OE1-NE 2.85Å; E319-R347 IonicContact OE1-NH2 3.75Å; E319-R347 PolarHBondContact OE1-NH2 3.03Å; E319-K349 HydrophobicContact CB-CG 4.24Å; E319-K349 HydrophobicContact CG-CG 3.93Å; E319-K349 WeakPolarHBondContact OE2-CE 3.4Å |
| 320 | N | 86 | Confident | 86 | Confident | 38 Ų | 38 | 59.6 Ų | 59.6 | 20% | 0.203 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 132.5 | 173.5 | -158.9 | 72.9 | 0 | 0 | 0 | 109.4 | L311 I314 D322 F346 | L311-N320 HydrophobicContact CD2-CB 3.94Å; L311-N320 WeakPolarHBondContact CD2-OD1 3.18Å; I314-N320 HydrophobicContact CD1-CB 3.98Å; N320-D322 WeakPolarHBondContact ND2-CB 3.49Å; N320-D322 PolarHBondContact ND2-N 2.77Å; N320-D322 PolarHBondContact ND2-O 2.68Å; N320-F346 WeakPolarHBondContact OD1-CE1 3.3Å |
| 321 | V | 83.1 | Confident | 85.9 | Confident | 62 Ų | 62 | 55.8 Ų | 55.8 | 38% | 0.376 | 29% | 0.293 | S | S | . | . | trans | -87.5 | -19.8 | 175.7 | -175 | 0 | 0 | 0 | 0 | 111.4 | C345 R347 | V321-C345 HydrophobicContact CB-CB 4.04Å; V321-C345 HydrophobicContact CG2-CB 4.4Å; V321-C345 PolarHBondContact N-O 2.9Å; V321-R347 HydrophobicContact CG2-CB 3.5Å; V321-R347 VanDerWaalsContact CG2-CB 3.5Å | ||
| 322 | D | 77.3 | Confident | 85.8 | Confident | 15 Ų | 15 | 58 Ų | 58 | 8% | 0.08 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -84.1 | 144 | -174.7 | -42.2 | -54.2 | 0 | 0 | 0 | 112.9 | N320 S324 F344 C345 R407 | N320-D322 WeakPolarHBondContact ND2-CB 3.49Å; N320-D322 PolarHBondContact ND2-N 2.77Å; N320-D322 PolarHBondContact ND2-O 2.68Å; D322-S324 PolarHBondContact O-N 2.75Å; D322-S324 VanDerWaalsContact O-N 3.1Å; D322-F344 VanDerWaalsContact OD2-CA 3.27Å; D322-F344 WeakPolarHBondContact OD2-CA 3.35Å; D322-C345 PolarHBondContact OD2-N 3.41Å; D322-R407 IonicContact OD1-CZ 3.17Å; D322-R407 IonicContact OD1-NH1 2.73Å; D322-R407 PolarHBondContact OD1-NH1 3.03Å; D322-R407 IonicContact OD1-NH2 2.74Å; D322-R407 PolarHBondContact OD1-NH2 2.83Å |
| 323 | D | 69.6 | Low | 85.6 | Confident | 179 Ų | 179 | 54 Ų | 54 | 96% | 0.957 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -59.7 | -22.8 | 179.5 | -53.8 | -65.9 | 0 | 0 | 0 | 114.2 | ||
| 324 | S | 79.9 | Confident | 85.7 | Confident | 58 Ų | 58 | 48.2 Ų | 48.2 | 41% | 0.406 | 27% | 0.265 | S | S | . | . | trans | -124.8 | 135.1 | -176.5 | -173.7 | 0 | 0 | 0 | 0 | 113.6 | D322 C326 | D322-S324 PolarHBondContact O-N 2.75Å; D322-S324 VanDerWaalsContact O-N 3.1Å; S324-C326 PolarHBondContact OG-N 2.77Å; S324-C326 VanDerWaalsContact OG-N 3.16Å; S324-C326 PolarHBondContact OG-O 3.18Å | ||
| 325 | S | 86.9 | Confident | 85.8 | Confident | 59 Ų | 59 | 46.5 Ų | 46.5 | 41% | 0.413 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -89.3 | -1.2 | 171 | 53.9 | 0 | 0 | 0 | 0 | 114.1 | K310 L311 | K310-S325 CarbonylContact C-O 3.54Å; K310-S325 VanDerWaalsContact CA-O 3.3Å; K310-S325 WeakPolarHBondContact CA-O 3.26Å; L311-S325 WeakPolarHBondContact CB-O 3.35Å; L311-S325 PolarHBondContact N-O 2.78Å |
| 326 | C | 87.8 | Confident | 86 | Confident | 33 Ų | 33 | 48.3 Ų | 48.3 | 22% | 0.223 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 137.5 | 161.2 | 165.6 | 0 | 0 | 0 | 0 | 110.6 | C308 L309 K310 S324 | C308-C326 WeakPolarHBondContact CB-SG 3.49Å; C308-C326 WeakPolarHBondContact SG-CB 3.26Å; C308-C326 CovalentContact SG-SG 2.05Å; C308-C326 PolarHBondContact SG-SG 2.76Å; L309-C326 VanDerWaalsContact O-CA 3.3Å; L309-C326 WeakPolarHBondContact O-CA 3.42Å; K310-C326 HydrophobicContact CB-CB 4.19Å; K310-C326 HydrophobicContact CD-CB 4.33Å; K310-C326 HydrophobicContact CG-CB 4.19Å; S324-C326 PolarHBondContact OG-N 2.77Å; S324-C326 VanDerWaalsContact OG-N 3.16Å; S324-C326 PolarHBondContact OG-O 3.18Å |
| 327 | Q | 86.3 | Confident | 86.2 | Confident | 40 Ų | 40 | 40.9 Ų | 40.9 | 19% | 0.187 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 133.8 | 167.1 | -62.8 | 175.4 | 12.7 | 0 | 0 | 109 | L309 R342 S343 F344 | L309-Q327 PolarHBondContact N-O 2.95Å; L309-Q327 PolarHBondContact O-N 3.07Å; Q327-R342 HydrophobicContact CB-CG 4.16Å; Q327-R342 VanDerWaalsContact OE1-CD 3.29Å; Q327-S343 PolarHBondContact NE2-O 3.09Å; Q327-S343 PolarHBondContact OE1-O 3.48Å; Q327-F344 HydrophobicContact CB-CE2 4.36Å; Q327-F344 HydrophobicContact CB-CZ 3.98Å; Q327-F344 VanDerWaalsContact CD-CZ 3.48Å; Q327-F344 HydrophobicContact CG-CE1 4.09Å; Q327-F344 HydrophobicContact CG-CE2 4.11Å; Q327-F344 HydrophobicContact CG-CZ 3.56Å |
| 328 | L | 86.3 | Confident | 86.4 | Confident | 108 Ų | 108 | 43.5 Ų | 43.5 | 57% | 0.565 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 140.3 | 175.9 | -70.4 | 169.9 | 0 | 0 | 0 | 110.3 | Q307 C308 R342 | Q307-L328 CarbonylContact O-C 3.55Å; Q307-L328 WeakPolarHBondContact O-CA 3.5Å; C308-L328 HydrophobicContact CB-CD2 3.84Å; L328-R342 PolarHBondContact O-NE 2.77Å; L328-R342 PolarHBondContact O-NH2 3.36Å |
| 329 | V | 88.1 | Confident | 86.6 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 117.4 | 175 | -164.4 | 0 | 0 | 0 | 0 | 108.9 | F269 D306 Q307 H331 I334 P340 R342 | F269-V329 HydrophobicContact CD2-CG1 4.37Å; F269-V329 HydrophobicContact CD2-CG2 4.1Å; F269-V329 HydrophobicContact CE2-CG2 3.73Å; F269-V329 HydrophobicContact CZ-CG2 4.02Å; D306-V329 WeakPolarHBondContact CB-O 3.48Å; Q307-V329 HydrophobicContact CB-CB 4.34Å; Q307-V329 PolarHBondContact N-O 3.05Å; Q307-V329 VanDerWaalsContact N-O 3.09Å; Q307-V329 PolarHBondContact O-N 2.86Å; V329-H331 PolarHBondContact O-N 2.86Å; V329-I334 HydrophobicContact CB-CD1 4.02Å; V329-I334 HydrophobicContact CG1-CD1 3.78Å; V329-I334 HydrophobicContact CG1-CG1 3.85Å; V329-P340 HydrophobicContact CG1-CB 4.19Å; V329-P340 HydrophobicContact CG1-CG 3.8Å; V329-R342 HydrophobicContact CG2-CG 3.57Å |
| 330 | P | 88 | Confident | 86.8 | Confident | 40 Ų | 40 | 41.3 Ų | 41.3 | 26% | 0.26 | 23% | 0.232 | S | C | . | . | trans | -56.6 | 128 | -176.9 | -28.3 | 34.7 | 0 | 0 | 0 | 112.9 | D306 L332 H333 I334 | D306-P330 WeakPolarHBondContact OD1-CA 3.35Å; P330-L332 PolarHBondContact O-N 3.41Å; P330-L332 VanDerWaalsContact O-N 3.12Å; P330-H333 HydrophobicContact CB-CB 4.31Å; P330-H333 WeakPolarHBondContact O-CB 3.38Å; P330-H333 PolarHBondContact O-N 3.29Å; P330-I334 PolarHBondContact O-N 3.4Å | ||
| 331 | H | 88.8 | Confident | 87 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -46 | -47.7 | 178.5 | 167.4 | -87.1 | 0 | 0 | 0 | 111.3 | F300 G302 R304 D306 V329 H333 I334 W335 | F300-H331 AromaticContact CE1-CD2 3.7Å; F300-H331 AromaticContact CE1-NE2 3.86Å; F300-H331 AromaticContact CZ-CD2 3.69Å; G302-H331 WeakPolarHBondContact CA-NE2 3.28Å; R304-H331 PolarHBondContact O-CD2 2.93Å; D306-H331 WeakPolarHBondContact OD1-CB 3.35Å; D306-H331 PolarHBondContact OD1-N 2.89Å; V329-H331 PolarHBondContact O-N 2.86Å; H331-H333 VanDerWaalsContact C-N 3.34Å; H331-H333 PolarHBondContact O-N 3.01Å; H331-I334 PolarHBondContact O-N 2.88Å; H331-W335 AromaticContact CE1-CD1 3.81Å; H331-W335 AromaticContact CE1-CG 3.61Å; H331-W335 WeakPolarHBondContact O-CB 3.41Å; H331-W335 PolarHBondContact O-N 3.01Å |
| 332 | L | 89.2 | Confident | 87.2 | Confident | 66 Ų | 66 | 38.5 Ų | 38.5 | 35% | 0.346 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -70.8 | -24.7 | -177.1 | -71.1 | 176.9 | 0 | 0 | 0 | 113.9 | R155 P330 H336 | R155-L332 HydrophobicContact CG-CD2 4.23Å; P330-L332 PolarHBondContact O-N 3.41Å; P330-L332 VanDerWaalsContact O-N 3.12Å; L332-H336 WeakPolarHBondContact O-CB 3.36Å; L332-H336 PolarHBondContact O-N 2.83Å |
| 333 | H | 89.1 | Confident | 87.7 | Confident | 31 Ų | 31 | 38.7 Ų | 38.7 | 14% | 0.144 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.3 | -44.7 | 174.8 | -68.9 | -166.2 | 0 | 0 | 0 | 109.6 | P330 H331 G337 K338 P340 E463 | P330-H333 HydrophobicContact CB-CB 4.31Å; P330-H333 WeakPolarHBondContact O-CB 3.38Å; P330-H333 PolarHBondContact O-N 3.29Å; H331-H333 VanDerWaalsContact C-N 3.34Å; H331-H333 PolarHBondContact O-N 3.01Å; H333-G337 PolarHBondContact O-N 2.89Å; H333-K338 HydrophobicContact CB-CB 4.36Å; H333-K338 HydrophobicContact CB-CD 3.98Å; H333-K338 HydrophobicContact CB-CG 4.46Å; H333-K338 PolarHBondContact CD2-NZ 3.41Å; H333-K338 VanDerWaalsContact CD2-NZ 3.29Å; H333-K338 PolarHBondContact CE1-NZ 3.15Å; H333-K338 VanDerWaalsContact CE1-NZ 3.31Å; H333-K338 PolarHBondContact NE2-NZ 2.89Å; H333-K338 VanDerWaalsContact O-CB 3.29Å; H333-K338 WeakPolarHBondContact O-CB 3.22Å; H333-K338 PolarHBondContact O-N 2.8Å; H333-P340 HydrophobicContact CB-CB 4.12Å; H333-P340 HydrophobicContact CB-CG 3.85Å; H333-E463 IonicContact CE1-OE2 3.9Å; H333-E463 PolarHBondContact CE1-OE2 2.87Å; H333-E463 IonicContact ND1-OE1 2.9Å; H333-E463 IonicContact ND1-OE2 3.67Å; H333-E463 PolarHBondContact ND1-OE2 2.88Å |
| 334 | I | 92.5 | Very high | 88.5 | Confident | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.6 | -51.5 | 172.8 | -61.9 | 176.5 | 0 | 0 | 0 | 111 | K245 L247 F269 F300 Q307 V329 P330 H331 H336 G337 P340 | K245-I334 PolarHBondContact NZ-O 2.87Å; L247-I334 HydrophobicContact CD1-CG2 3.27Å; L247-I334 HydrophobicContact CD2-CG2 4.28Å; L247-I334 HydrophobicContact CG-CG2 4.43Å; F269-I334 HydrophobicContact CB-CD1 4.09Å; F269-I334 HydrophobicContact CB-CG1 3.95Å; F269-I334 HydrophobicContact CD1-CD1 3.89Å; F269-I334 HydrophobicContact CG-CD1 4.08Å; F269-I334 HydrophobicContact CG-CG1 4.45Å; F300-I334 HydrophobicContact CD1-CG2 4.22Å; F300-I334 HydrophobicContact CD2-CG2 3.94Å; F300-I334 HydrophobicContact CE1-CB 4.49Å; F300-I334 HydrophobicContact CE1-CG2 4.02Å; F300-I334 HydrophobicContact CE2-CB 4.16Å; F300-I334 HydrophobicContact CE2-CD1 3.75Å; F300-I334 HydrophobicContact CE2-CG2 3.72Å; F300-I334 HydrophobicContact CG-CG2 4.19Å; F300-I334 HydrophobicContact CZ-CB 3.96Å; F300-I334 HydrophobicContact CZ-CD1 4.26Å; F300-I334 HydrophobicContact CZ-CG2 3.75Å; Q307-I334 HydrophobicContact CB-CD1 3.97Å; V329-I334 HydrophobicContact CB-CD1 4.02Å; V329-I334 HydrophobicContact CG1-CD1 3.78Å; V329-I334 HydrophobicContact CG1-CG1 3.85Å; P330-I334 PolarHBondContact O-N 3.4Å; H331-I334 PolarHBondContact O-N 2.88Å; I334-H336 PolarHBondContact O-N 2.72Å; I334-G337 PolarHBondContact O-N 3.05Å; I334-G337 VanDerWaalsContact O-N 3.09Å; I334-P340 HydrophobicContact CG1-CG 3.92Å |
| 335 | W | 93.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.9 | -42.6 | -170.4 | -169.7 | -118.7 | 0 | 0 | 0 | 113.4 | R155 Q157 G158 L159 M235 A243 K245 F300 G302 H331 G337 | R155-W335 PolarHBondContact O-NE1 3.05Å; Q157-W335 VanDerWaalsContact O-CD1 3.29Å; Q157-W335 PolarHBondContact O-NE1 3.14Å; G158-W335 WeakPolarHBondContact CA-O 3.42Å; L159-W335 PolarHBondContact N-O 2.84Å; L159-W335 VanDerWaalsContact N-O 3.14Å; M235-W335 HydrophobicContact CE-CH2 3.2Å; M235-W335 HydrophobicContact CE-CZ2 3.88Å; M235-W335 HydrophobicContact CE-CZ3 3.77Å; M235-W335 HydrophobicContact SD-CH2 4.45Å; A243-W335 HydrophobicContact CB-CH2 3.57Å; A243-W335 HydrophobicContact CB-CZ2 3.64Å; A243-W335 WeakPolarHBondContact O-CH2 3.27Å; K245-W335 HydrophobicContact CD-CE3 4.35Å; K245-W335 HydrophobicContact CD-CZ3 4.34Å; K245-W335 HydrophobicContact CG-CE3 4.3Å; K245-W335 HydrophobicContact CG-CZ3 3.91Å; K245-W335 PolarHBondContact NZ-O 2.69Å; F300-W335 AromaticContact CD1-CE3 3.76Å; F300-W335 HydrophobicContact CD1-CE3 3.76Å; F300-W335 HydrophobicContact CD1-CZ3 4.1Å; F300-W335 HydrophobicContact CE1-CB 4.46Å; F300-W335 AromaticContact CE1-CE3 3.8Å; F300-W335 HydrophobicContact CE1-CE3 3.8Å; G302-W335 VanDerWaalsContact CA-CH2 3.4Å; G302-W335 VanDerWaalsContact CA-CZ3 3.44Å; H331-W335 AromaticContact CE1-CD1 3.81Å; H331-W335 AromaticContact CE1-CG 3.61Å; H331-W335 WeakPolarHBondContact O-CB 3.41Å; H331-W335 PolarHBondContact O-N 3.01Å; W335-G337 PolarHBondContact O-N 2.69Å |
| 336 | H | 93.1 | Very high | 88.8 | Confident | 48 Ų | 48 | 24.7 Ų | 24.7 | 22% | 0.222 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | 4.3 | 175.9 | -63.2 | 173.7 | 0 | 0 | 0 | 113.7 | L153 S154 Q157 L159 L332 I334 | L153-H336 WeakPolarHBondContact CB-NE2 3.44Å; L153-H336 HydrophobicContact CD1-CB 4.45Å; L153-H336 PolarHBondContact O-CE1 2.87Å; S154-H336 PolarHBondContact O-NE2 3.42Å; Q157-H336 PolarHBondContact O-CD2 2.87Å; Q157-H336 PolarHBondContact O-NE2 2.87Å; L159-H336 WeakPolarHBondContact CB-O 3.42Å; L332-H336 WeakPolarHBondContact O-CB 3.36Å; L332-H336 PolarHBondContact O-N 2.83Å; I334-H336 PolarHBondContact O-N 2.72Å |
| 337 | G | 89.2 | Confident | 88.6 | Confident | 8 Ų | 8 | 28.2 Ų | 28.2 | 8% | 0.082 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 22.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | H333 I334 W335 C339 | H333-G337 PolarHBondContact O-N 2.89Å; I334-G337 PolarHBondContact O-N 3.05Å; I334-G337 VanDerWaalsContact O-N 3.09Å; W335-G337 PolarHBondContact O-N 2.69Å; G337-C339 PolarHBondContact O-N 3.25Å |
| 338 | K | 87.1 | Confident | 88.4 | Confident | 62 Ų | 62 | 29.6 Ų | 29.6 | 27% | 0.27 | 14% | 0.142 | S | C | . | . | trans | -63.7 | -6.7 | 178.6 | -66.7 | -164.1 | 179.9 | -177 | 0 | 115.3 | L147 H333 P340 | L147-K338 HydrophobicContact CD1-CB 4.4Å; L147-K338 HydrophobicContact CD1-CG 4.21Å; H333-K338 HydrophobicContact CB-CB 4.36Å; H333-K338 HydrophobicContact CB-CD 3.98Å; H333-K338 HydrophobicContact CB-CG 4.46Å; H333-K338 PolarHBondContact CD2-NZ 3.41Å; H333-K338 VanDerWaalsContact CD2-NZ 3.29Å; H333-K338 PolarHBondContact CE1-NZ 3.15Å; H333-K338 VanDerWaalsContact CE1-NZ 3.31Å; H333-K338 PolarHBondContact NE2-NZ 2.89Å; H333-K338 VanDerWaalsContact O-CB 3.29Å; H333-K338 WeakPolarHBondContact O-CB 3.22Å; H333-K338 PolarHBondContact O-N 2.8Å; K338-P340 VanDerWaalsContact C-N 3.33Å | ||
| 339 | C | 89.7 | Confident | 88.1 | Confident | 13 Ų | 13 | 29.4 Ų | 29.4 | 9% | 0.088 | 14% | 0.137 | C | C | . | . | trans | 51.4 | 42.7 | -174.2 | -61.5 | 0 | 0 | 0 | 0 | 114.2 | L270 W279 G337 | L270-C339 HydrophobicContact CD2-CB 3.49Å; L270-C339 VanDerWaalsContact CD2-CB 3.49Å; W279-C339 HydrophobicContact CD2-CB 4.41Å; W279-C339 HydrophobicContact CE3-CB 3.53Å; W279-C339 HydrophobicContact CH2-CB 4.2Å; W279-C339 HydrophobicContact CZ3-CB 3.41Å; W279-C339 VanDerWaalsContact CZ3-CB 3.41Å; W279-C339 WeakPolarHBondContact CZ3-O 3.2Å; G337-C339 PolarHBondContact O-N 3.25Å | ||
| 340 | P | 90.4 | Very high | 87.3 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | trans | -65.8 | 155.6 | -173.8 | 32.9 | -38.1 | 0 | 0 | 0 | 111.6 | F269 V329 H333 I334 K338 | F269-P340 HydrophobicContact CB-CG 4.34Å; F269-P340 PolarHBondContact N-O 2.93Å; V329-P340 HydrophobicContact CG1-CB 4.19Å; V329-P340 HydrophobicContact CG1-CG 3.8Å; H333-P340 HydrophobicContact CB-CB 4.12Å; H333-P340 HydrophobicContact CB-CG 3.85Å; I334-P340 HydrophobicContact CG1-CG 3.92Å; K338-P340 VanDerWaalsContact C-N 3.33Å | ||
| 341 | F | 90.9 | Very high | 86 | Confident | 10 Ų | 10 | 34.8 Ų | 34.8 | 4% | 0.044 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 172 | 173.4 | 73.2 | -81.2 | 0 | 0 | 0 | 112.8 | R266 I267 Y268 E462 E463 N465 | R266-F341 HydrophobicContact CB-CD2 3.84Å; R266-F341 HydrophobicContact CB-CE2 4.25Å; R266-F341 HydrophobicContact CG-CD2 3.92Å; R266-F341 HydrophobicContact CG-CE2 3.83Å; I267-F341 CarbonylContact O-C 3.48Å; I267-F341 WeakPolarHBondContact O-CA 3.46Å; I267-F341 WeakPolarHBondContact O-CB 3.48Å; Y268-F341 HydrophobicContact CD1-CB 3.7Å; Y268-F341 HydrophobicContact CD1-CD1 4.36Å; Y268-F341 HydrophobicContact CD1-CG 4.35Å; Y268-F341 HydrophobicContact CD2-CB 3.77Å; Y268-F341 HydrophobicContact CD2-CG 4.44Å; Y268-F341 HydrophobicContact CE1-CB 3.87Å; Y268-F341 AromaticContact CE1-CD1 3.75Å; Y268-F341 HydrophobicContact CE1-CD1 3.75Å; Y268-F341 HydrophobicContact CE1-CG 4.01Å; Y268-F341 HydrophobicContact CE2-CB 3.94Å; Y268-F341 HydrophobicContact CE2-CG 4.11Å; Y268-F341 HydrophobicContact CG-CB 3.64Å; Y268-F341 AromaticContact CZ-CD1 3.86Å; Y268-F341 AromaticContact CZ-CG 3.88Å; F341-E462 WeakPolarHBondContact CE1-O 3.36Å; F341-E462 WeakPolarHBondContact CZ-O 3.21Å; F341-E463 WeakPolarHBondContact CE1-O 3.43Å; F341-N465 HydrophobicContact CE1-CB 3.86Å; F341-N465 HydrophobicContact CZ-CB 4.23Å; F341-N465 WeakPolarHBondContact CZ-OD1 3.42Å |
| 342 | R | 87.9 | Confident | 84.5 | Confident | 31 Ų | 31 | 39.7 Ų | 39.7 | 12% | 0.117 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 140.4 | 170.9 | -74.1 | -60.7 | 177.4 | -107.2 | 19.9 | 110.5 | R266 I267 L309 Q327 L328 V329 F344 E463 | R266-R342 CarbonylContact C-O 3.54Å; R266-R342 WeakPolarHBondContact CA-O 3.45Å; I267-R342 PolarHBondContact N-O 2.85Å; I267-R342 PolarHBondContact O-N 3.13Å; L309-R342 HydrophobicContact CD2-CB 3.93Å; Q327-R342 HydrophobicContact CB-CG 4.16Å; Q327-R342 VanDerWaalsContact OE1-CD 3.29Å; L328-R342 PolarHBondContact O-NE 2.77Å; L328-R342 PolarHBondContact O-NH2 3.36Å; V329-R342 HydrophobicContact CG2-CG 3.57Å; R342-F344 HydrophobicContact CB-CE2 4.26Å; R342-E463 IonicContact CZ-OE1 2.89Å; R342-E463 IonicContact NH1-OE1 2.89Å; R342-E463 PolarHBondContact NH1-OE1 3.05Å; R342-E463 IonicContact NH2-OE1 3.55Å; R342-E463 PolarHBondContact NH2-OE1 2.7Å |
| 343 | S | 87.7 | Confident | 82.8 | Confident | 19 Ų | 19 | 46.1 Ų | 46.1 | 13% | 0.133 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 132.1 | -173.3 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | Q264 L265 Q327 | Q264-S343 WeakPolarHBondContact CG-OG 3.36Å; Q264-S343 PolarHBondContact NE2-OG 2.76Å; L265-S343 CarbonylContact O-C 3.59Å; L265-S343 WeakPolarHBondContact O-CA 3.29Å; L265-S343 PolarHBondContact O-OG 3.46Å; Q327-S343 PolarHBondContact NE2-O 3.09Å; Q327-S343 PolarHBondContact OE1-O 3.48Å |
| 344 | F | 86.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 132.1 | 172.2 | -71.4 | -99.2 | 0 | 0 | 0 | 109.5 | L265 L309 D322 Q327 R342 F346 M368 | L265-F344 HydrophobicContact CB-CB 4.45Å; L265-F344 WeakPolarHBondContact CB-O 3.45Å; L265-F344 HydrophobicContact CD2-CB 4.43Å; L265-F344 PolarHBondContact N-O 2.95Å; L265-F344 PolarHBondContact O-N 3.13Å; L309-F344 HydrophobicContact CD2-CE2 3.73Å; L309-F344 HydrophobicContact CG-CE2 4.01Å; L309-F344 HydrophobicContact CG-CZ 4.37Å; D322-F344 VanDerWaalsContact OD2-CA 3.27Å; D322-F344 WeakPolarHBondContact OD2-CA 3.35Å; Q327-F344 HydrophobicContact CB-CE2 4.36Å; Q327-F344 HydrophobicContact CB-CZ 3.98Å; Q327-F344 VanDerWaalsContact CD-CZ 3.48Å; Q327-F344 HydrophobicContact CG-CE1 4.09Å; Q327-F344 HydrophobicContact CG-CE2 4.11Å; Q327-F344 HydrophobicContact CG-CZ 3.56Å; R342-F344 HydrophobicContact CB-CE2 4.26Å; F344-F346 HydrophobicContact CB-CE2 3.7Å; F344-F346 HydrophobicContact CB-CZ 3.68Å; F344-M368 HydrophobicContact CD1-CE 3.87Å; F344-M368 HydrophobicContact CD2-CE 3.7Å; F344-M368 HydrophobicContact CD2-SD 4.42Å; F344-M368 HydrophobicContact CE1-CE 3.75Å; F344-M368 HydrophobicContact CE2-CE 3.59Å; F344-M368 HydrophobicContact CG-CE 3.84Å; F344-M368 HydrophobicContact CZ-CE 3.59Å |
| 345 | C | 86.8 | Confident | 79.4 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.007 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 131.4 | 179.5 | -77.9 | 0 | 0 | 0 | 0 | 111.1 | L263 V321 D322 R407 | L263-C345 WeakPolarHBondContact O-CA 3.29Å; V321-C345 HydrophobicContact CB-CB 4.04Å; V321-C345 HydrophobicContact CG2-CB 4.4Å; V321-C345 PolarHBondContact N-O 2.9Å; D322-C345 PolarHBondContact OD2-N 3.41Å; C345-R407 PolarHBondContact SG-NH1 3.19Å |
| 346 | F | 85.3 | Confident | 77.1 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 0% | 0.004 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 137.4 | -179.5 | -56.7 | -78.4 | 0 | 0 | 0 | 111.2 | H262 L263 L265 L311 I314 W318 E319 N320 F344 I364 V366 F385 | H262-F346 WeakPolarHBondContact CA-O 3.43Å; L263-F346 PolarHBondContact N-O 2.9Å; L263-F346 PolarHBondContact O-N 3.45Å; L265-F346 HydrophobicContact CB-CD2 4.4Å; L265-F346 HydrophobicContact CB-CE2 3.85Å; L265-F346 HydrophobicContact CD2-CE2 4.14Å; L311-F346 HydrophobicContact CD1-CE1 4.18Å; L311-F346 HydrophobicContact CD1-CZ 4.3Å; L311-F346 HydrophobicContact CD2-CE1 4.31Å; I314-F346 HydrophobicContact CD1-CD1 3.95Å; I314-F346 HydrophobicContact CD1-CE1 3.85Å; I314-F346 HydrophobicContact CG1-CD1 4.39Å; I314-F346 HydrophobicContact CG1-CE1 4.06Å; W318-F346 HydrophobicContact CE3-CB 4.16Å; E319-F346 CarbonylContact O-C 3.46Å; E319-F346 VanDerWaalsContact O-CA 3.28Å; E319-F346 WeakPolarHBondContact O-CA 3.34Å; N320-F346 WeakPolarHBondContact OD1-CE1 3.3Å; F344-F346 HydrophobicContact CB-CE2 3.7Å; F344-F346 HydrophobicContact CB-CZ 3.68Å; F346-I364 HydrophobicContact CB-CD1 3.44Å; F346-I364 VanDerWaalsContact CB-CD1 3.44Å; F346-I364 HydrophobicContact CD1-CD1 3.91Å; F346-I364 HydrophobicContact CD2-CD1 3.95Å; F346-I364 HydrophobicContact CG-CD1 3.47Å; F346-I364 VanDerWaalsContact CG-CD1 3.47Å; F346-V366 HydrophobicContact CE1-CG2 4.15Å; F346-V366 HydrophobicContact CZ-CG1 4.26Å; F346-V366 HydrophobicContact CZ-CG2 4.14Å; F346-F385 HydrophobicContact CD2-CZ 4.41Å; F346-F385 AromaticContact CE2-CZ 3.86Å; F346-F385 HydrophobicContact CE2-CZ 3.86Å; F346-F385 HydrophobicContact CZ-CZ 4.37Å |
| 347 | R | 84.6 | Confident | 74.9 | Confident | 106 Ų | 106 | 67.5 Ų | 67.5 | 40% | 0.4 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 139.4 | 178.9 | 171.2 | 168.1 | 72.1 | -162 | 2.5 | 109.7 | H262 W318 E319 V321 K349 | H262-R347 WeakPolarHBondContact NE2-CD 3.32Å; W318-R347 CarbonylContact C-O 3.53Å; W318-R347 WeakPolarHBondContact CA-O 3.23Å; E319-R347 HydrophobicContact CG-CB 4.21Å; E319-R347 PolarHBondContact N-O 3.32Å; E319-R347 PolarHBondContact O-N 2.88Å; E319-R347 IonicContact OE1-CZ 3.17Å; E319-R347 IonicContact OE1-NE 2.76Å; E319-R347 PolarHBondContact OE1-NE 2.85Å; E319-R347 IonicContact OE1-NH2 3.75Å; E319-R347 PolarHBondContact OE1-NH2 3.03Å; V321-R347 HydrophobicContact CG2-CB 3.5Å; V321-R347 VanDerWaalsContact CG2-CB 3.5Å; R347-K349 PolarHBondContact O-N 3.43Å |
| 348 | R | 81.2 | Confident | 72.9 | Confident | 69 Ų | 69 | 72.7 Ų | 72.7 | 26% | 0.26 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 125.7 | 164.6 | -170 | -179.3 | -168 | 143 | 5.8 | 108.2 | G317 W318 L360 N362 E389 | G317-R348 CarbonylContact O-C 3.57Å; G317-R348 WeakPolarHBondContact O-CA 3.49Å; W318-R348 HydrophobicContact CE3-CB 4.41Å; W318-R348 HydrophobicContact CH2-CB 4.45Å; W318-R348 HydrophobicContact CZ3-CB 4.31Å; R348-L360 PolarHBondContact NH2-O 2.68Å; R348-N362 PolarHBondContact NH1-OD1 3.33Å; R348-N362 PolarHBondContact NH2-OD1 3.38Å; R348-E389 IonicContact NH1-OE2 3.9Å |
| 349 | K | 80.8 | Confident | 71.1 | Confident | 104 Ų | 104 | 73.5 Ų | 73.5 | 45% | 0.452 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -58 | 140.9 | 175.3 | -70.2 | -179 | 174 | 178.7 | 0 | 109.7 | G317 W318 E319 R347 | G317-K349 PolarHBondContact O-N 2.91Å; W318-K349 WeakPolarHBondContact O-CE 3.43Å; E319-K349 HydrophobicContact CB-CG 4.24Å; E319-K349 HydrophobicContact CG-CG 3.93Å; E319-K349 WeakPolarHBondContact OE2-CE 3.4Å; R347-K349 PolarHBondContact O-N 3.43Å |
| 350 | A | 70.4 | Confident | 69.6 | Low | 89 Ų | 89 | 75.5 Ų | 75.5 | 74% | 0.736 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 140.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | N352 | A350-N352 PolarHBondContact O-N 2.8Š|
| 351 | A | 61.7 | Low | 68.3 | Low | 65 Ų | 65 | 79.2 Ų | 79.2 | 54% | 0.537 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 119.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 352 | N | 56.7 | Low | 67.3 | Low | 104 Ų | 104 | 81.3 Ų | 81.3 | 56% | 0.556 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 133.5 | 165.1 | -67 | -38.7 | 0 | 0 | 0 | 108.1 | A350 N354 E355 | A350-N352 PolarHBondContact O-N 2.8Å; N352-N354 PolarHBondContact O-N 3.33Å; N352-E355 PolarHBondContact ND2-OE2 3.46Å; N352-E355 PolarHBondContact O-N 2.88Å |
| 353 | E | 54.6 | Low | 66.9 | Low | 202 Ų | 202 | 82.1 Ų | 82.1 | 94% | 0.944 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 4.7 | -175.3 | -58 | -177.5 | 139.2 | 0 | 0 | 114.9 | ||
| 354 | N | 52.5 | Low | 66.7 | Low | 164 Ų | 164 | 81.3 Ų | 81.3 | 88% | 0.877 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.3 | 6 | -172.2 | -94 | -19.6 | 0 | 0 | 0 | 114.6 | N352 | N352-N354 PolarHBondContact O-N 3.33Š|
| 355 | E | 56.3 | Low | 66.8 | Low | 131 Ų | 131 | 82.7 Ų | 82.7 | 61% | 0.612 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -117.4 | 136.1 | 177.1 | -69.8 | 177.9 | 120.7 | 0 | 0 | 110.9 | N352 C357 | N352-E355 PolarHBondContact ND2-OE2 3.46Å; N352-E355 PolarHBondContact O-N 2.88Å; E355-C357 PolarHBondContact O-N 2.89Å; E355-C357 PolarHBondContact O-SG 2.89Å |
| 356 | D | 45.2 | Very low | 67 | Low | 159 Ų | 159 | 82.6 Ų | 82.6 | 85% | 0.85 | 46% | 0.46 | S | S | * | . | trans | -63.1 | 97.8 | -176.1 | -82.6 | -52.4 | 0 | 0 | 0 | 111.5 | S358 | D356-S358 PolarHBondContact O-N 2.82Š| ||
| 357 | C | 47.3 | Very low | 67.3 | Low | 75 Ų | 75 | 83.5 Ų | 83.5 | 51% | 0.507 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -69 | 17.6 | -172.4 | -70 | 0 | 0 | 0 | 0 | 115.5 | E355 L360 | E355-C357 PolarHBondContact O-N 2.89Å; E355-C357 PolarHBondContact O-SG 2.89Å; C357-L360 HydrophobicContact CB-CD1 4.37Å |
| 358 | S | 48 | Very low | 67.7 | Low | 117 Ų | 117 | 78.5 Ų | 78.5 | 82% | 0.818 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -79.5 | -13.4 | -175.6 | 61.6 | 0 | 0 | 0 | 0 | 114.7 | D356 | D356-S358 PolarHBondContact O-N 2.82Š|
| 359 | A | 49.9 | Very low | 68.2 | Low | 79 Ų | 79 | 76.6 Ų | 76.6 | 65% | 0.653 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -105.4 | -2.8 | -175 | 0 | 0 | 0 | 0 | 0 | 115.3 | T361 | A359-T361 PolarHBondContact O-N 2.9Š|
| 360 | L | 58.3 | Low | 68.8 | Low | 56 Ų | 56 | 71.7 Ų | 71.7 | 29% | 0.293 | 42% | 0.42 | S | S | . | . | trans | -78.6 | 88.3 | -174 | -67.8 | 170.5 | 0 | 0 | 0 | 112.1 | G317 R348 C357 | G317-L360 VanDerWaalsContact CA-CD2 3.44Å; R348-L360 PolarHBondContact NH2-O 2.68Å; C357-L360 HydrophobicContact CB-CD1 4.37Å | ||
| 361 | T | 62.8 | Low | 69.9 | Low | 81 Ų | 81 | 68.3 Ų | 68.3 | 50% | 0.497 | 39% | 0.389 | S | S | . | . | trans | -60.6 | 137.2 | 177.3 | 51.3 | 0 | 0 | 0 | 0 | 112.6 | A359 E363 | A359-T361 PolarHBondContact O-N 2.9Å; T361-E363 PolarHBondContact O-N 2.83Å; T361-E363 PolarHBondContact OG1-O 3.02Å | ||
| 362 | N | 68.4 | Low | 71.4 | Confident | 54 Ų | 54 | 65.6 Ų | 65.6 | 29% | 0.289 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -70 | 23.3 | 169.7 | -63.6 | -14.7 | 0 | 0 | 0 | 112.9 | R348 S388 E389 E390 | R348-N362 PolarHBondContact NH1-OD1 3.33Å; R348-N362 PolarHBondContact NH2-OD1 3.38Å; N362-S388 WeakPolarHBondContact O-CA 3.4Å; N362-E389 HydrophobicContact CB-CB 4.25Å; N362-E389 PolarHBondContact O-N 3.46Å; N362-E390 PolarHBondContact ND2-OE1 3.19Å |
| 363 | E | 80.1 | Confident | 72.8 | Confident | 49 Ų | 49 | 65.4 Ų | 65.4 | 23% | 0.229 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 130.8 | -176.6 | 179 | 172.5 | -107.8 | 0 | 0 | 109.2 | W318 T361 I365 Q386 A387 | W318-E363 PolarHBondContact NE1-O 3.26Å; T361-E363 PolarHBondContact O-N 2.83Å; T361-E363 PolarHBondContact OG1-O 3.02Å; E363-I365 HydrophobicContact CG-CG1 4.37Å; E363-Q386 VanDerWaalsContact CD-CG 3.42Å; E363-Q386 HydrophobicContact CG-CG 3.99Å; E363-Q386 WeakPolarHBondContact OE1-CG 3.36Å; E363-Q386 PolarHBondContact OE1-NE2 3.12Å; E363-Q386 PolarHBondContact OE2-NE2 3.46Å; E363-A387 WeakPolarHBondContact CA-O 3.34Å |
| 364 | I | 84.7 | Confident | 74 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 130.1 | 169.4 | -162.7 | -177.3 | 0 | 0 | 0 | 109.5 | L263 I314 S315 W318 F346 V366 F385 Q386 A387 | L263-I364 HydrophobicContact CD1-CB 4.35Å; L263-I364 HydrophobicContact CD1-CG2 3.63Å; I314-I364 HydrophobicContact CG2-CD1 4.12Å; I314-I364 HydrophobicContact CG2-CG1 4.16Å; S315-I364 WeakPolarHBondContact OG-CA 3.3Å; W318-I364 HydrophobicContact CB-CD1 4.15Å; W318-I364 HydrophobicContact CB-CG1 4.08Å; W318-I364 HydrophobicContact CD2-CB 3.88Å; W318-I364 HydrophobicContact CD2-CD1 3.91Å; W318-I364 HydrophobicContact CD2-CG1 3.83Å; W318-I364 HydrophobicContact CE3-CB 4.41Å; W318-I364 HydrophobicContact CE3-CD1 3.89Å; W318-I364 HydrophobicContact CE3-CG1 4.31Å; W318-I364 HydrophobicContact CG-CB 4.13Å; W318-I364 HydrophobicContact CG-CD1 4.04Å; W318-I364 HydrophobicContact CG-CG1 3.71Å; W318-I364 HydrophobicContact CZ2-CB 4.22Å; F346-I364 HydrophobicContact CB-CD1 3.44Å; F346-I364 VanDerWaalsContact CB-CD1 3.44Å; F346-I364 HydrophobicContact CD1-CD1 3.91Å; F346-I364 HydrophobicContact CD2-CD1 3.95Å; F346-I364 HydrophobicContact CG-CD1 3.47Å; F346-I364 VanDerWaalsContact CG-CD1 3.47Å; I364-V366 HydrophobicContact CD1-CG2 3.75Å; I364-V366 HydrophobicContact CG1-CG2 3.87Å; I364-F385 HydrophobicContact CG2-CE2 3.97Å; I364-Q386 WeakPolarHBondContact O-CA 3.37Å; I364-A387 HydrophobicContact CG2-CB 4.06Å; I364-A387 PolarHBondContact N-O 3.42Å; I364-A387 PolarHBondContact O-N 3.16Å |
| 365 | I | 88.1 | Confident | 75.6 | Confident | 29 Ų | 29 | 51.9 Ų | 51.9 | 15% | 0.149 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 127.2 | 168.4 | -58.3 | 175.9 | 0 | 0 | 0 | 107.4 | Y313 I314 S315 E363 R384 F385 Q386 | Y313-I365 HydrophobicContact CE1-CG2 4.37Å; I314-I365 CarbonylContact C-O 3.57Å; I314-I365 WeakPolarHBondContact CA-O 3.27Å; S315-I365 PolarHBondContact N-O 3.01Å; S315-I365 PolarHBondContact OG-N 3.03Å; E363-I365 HydrophobicContact CG-CG1 4.37Å; I365-R384 HydrophobicContact CG2-CG 4.47Å; I365-F385 WeakPolarHBondContact CA-O 3.39Å; I365-Q386 HydrophobicContact CG1-CG 4.14Å |
| 366 | V | 89.4 | Confident | 76.7 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 140.7 | 179.5 | 169.8 | 0 | 0 | 0 | 0 | 110 | L311 Y313 I314 F346 I364 M368 R384 F385 | L311-V366 HydrophobicContact CD1-CG1 3.48Å; L311-V366 VanDerWaalsContact CD1-CG1 3.48Å; Y313-V366 VanDerWaalsContact O-CA 3.31Å; Y313-V366 WeakPolarHBondContact O-CA 3.45Å; Y313-V366 WeakPolarHBondContact O-CG1 3.4Å; I314-V366 HydrophobicContact CB-CG2 4.41Å; I314-V366 HydrophobicContact CG1-CG2 4.28Å; I314-V366 HydrophobicContact CG2-CG2 4.09Å; F346-V366 HydrophobicContact CE1-CG2 4.15Å; F346-V366 HydrophobicContact CZ-CG1 4.26Å; F346-V366 HydrophobicContact CZ-CG2 4.14Å; I364-V366 HydrophobicContact CD1-CG2 3.75Å; I364-V366 HydrophobicContact CG1-CG2 3.87Å; V366-M368 HydrophobicContact CG1-CG 3.61Å; V366-M368 HydrophobicContact CG1-SD 4.23Å; V366-R384 WeakPolarHBondContact O-CA 3.42Å; V366-F385 HydrophobicContact CB-CD1 3.88Å; V366-F385 HydrophobicContact CB-CE1 3.28Å; V366-F385 HydrophobicContact CB-CE2 4.02Å; V366-F385 HydrophobicContact CB-CG 4.47Å; V366-F385 HydrophobicContact CB-CZ 3.37Å; V366-F385 HydrophobicContact CG1-CD1 4.19Å; V366-F385 HydrophobicContact CG1-CE1 3.43Å; V366-F385 VanDerWaalsContact CG1-CE1 3.43Å; V366-F385 HydrophobicContact CG1-CZ 3.87Å; V366-F385 HydrophobicContact CG2-CE1 3.92Å; V366-F385 HydrophobicContact CG2-CE2 4.02Å; V366-F385 HydrophobicContact CG2-CZ 3.45Å; V366-F385 VanDerWaalsContact CG2-CZ 3.45Å; V366-F385 PolarHBondContact N-O 3.09Å; V366-F385 VanDerWaalsContact N-O 3.09Å; V366-F385 PolarHBondContact O-N 3.34Å |
| 367 | T | 92.3 | Very high | 78 | Confident | 20 Ų | 20 | 50 Ų | 50 | 12% | 0.123 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 125.9 | 170.7 | -49 | 0 | 0 | 0 | 0 | 109.2 | K312 Y313 I382 L383 | K312-T367 PolarHBondContact N-O 3.18Å; Y313-T367 PolarHBondContact N-O 2.89Å; Y313-T367 PolarHBondContact O-N 2.99Å; T367-I382 HydrophobicContact CG2-CG2 3.5Å; T367-I382 VanDerWaalsContact CG2-CG2 3.5Å; T367-L383 CarbonylContact C-O 3.56Å; T367-L383 WeakPolarHBondContact CA-O 3.36Å |
| 368 | M | 92.6 | Very high | 78.9 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 140.9 | 176.5 | -46.1 | -165.5 | 75.7 | 0 | 0 | 109.9 | L265 I267 L309 K310 L311 F344 V366 L383 F385 | L265-M368 HydrophobicContact CD2-SD 3.76Å; I267-M368 HydrophobicContact CD1-SD 3.43Å; I267-M368 WeakPolarHBondContact CD1-SD 3.19Å; L309-M368 HydrophobicContact CD1-CB 3.85Å; L309-M368 HydrophobicContact CD1-CE 4.26Å; L309-M368 HydrophobicContact CD1-SD 4.37Å; L309-M368 HydrophobicContact CG-CE 4.14Å; K310-M368 CarbonylContact O-C 3.52Å; K310-M368 WeakPolarHBondContact O-CA 3.4Å; L311-M368 HydrophobicContact CB-CE 3.94Å; L311-M368 HydrophobicContact CD1-CE 4.15Å; L311-M368 HydrophobicContact CD1-CG 4.27Å; F344-M368 HydrophobicContact CD1-CE 3.87Å; F344-M368 HydrophobicContact CD2-CE 3.7Å; F344-M368 HydrophobicContact CD2-SD 4.42Å; F344-M368 HydrophobicContact CE1-CE 3.75Å; F344-M368 HydrophobicContact CE2-CE 3.59Å; F344-M368 HydrophobicContact CG-CE 3.84Å; F344-M368 HydrophobicContact CZ-CE 3.59Å; V366-M368 HydrophobicContact CG1-CG 3.61Å; V366-M368 HydrophobicContact CG1-SD 4.23Å; M368-L383 HydrophobicContact CB-CB 4.34Å; M368-L383 PolarHBondContact N-O 3.28Å; M368-L383 PolarHBondContact O-N 3.48Å; M368-F385 HydrophobicContact SD-CE1 4.45Å |
| 369 | H | 93.3 | Very high | 79.9 | Confident | 30 Ų | 30 | 56.6 Ų | 56.6 | 14% | 0.139 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 130.6 | 180 | -73.6 | -158.2 | 0 | 0 | 0 | 108.8 | K310 K312 M380 E381 | K310-H369 PolarHBondContact N-O 3.32Å; K310-H369 PolarHBondContact O-N 3.18Å; K312-H369 HydrophobicContact CG-CB 4.03Å; H369-M380 HydrophobicContact CB-CG 3.75Å; H369-M380 HydrophobicContact CB-SD 3.68Å; H369-M380 VanDerWaalsContact ND1-CE 3.29Å; H369-M380 WeakPolarHBondContact ND1-CE 3.38Å; H369-M380 PolarHBondContact ND1-SD 3.2Å; H369-E381 CarbonylContact C-O 3.56Å; H369-E381 WeakPolarHBondContact CA-O 3.45Å |
| 370 | T | 92.7 | Very high | 81.2 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 135.5 | 177.7 | -172.7 | 0 | 0 | 0 | 0 | 112.4 | L249 Q307 C308 M380 E381 L383 | L249-T370 HydrophobicContact CD1-CG2 3.71Å; Q307-T370 VanDerWaalsContact CG-OG1 3.3Å; Q307-T370 WeakPolarHBondContact CG-OG1 3.22Å; Q307-T370 PolarHBondContact NE2-OG1 2.74Å; C308-T370 VanDerWaalsContact O-CA 3.3Å; C308-T370 WeakPolarHBondContact O-CA 3.38Å; C308-T370 PolarHBondContact O-OG1 3.2Å; T370-M380 WeakPolarHBondContact O-CA 3.34Å; T370-E381 HydrophobicContact CG2-CB 3.76Å; T370-E381 PolarHBondContact N-O 3.28Å; T370-E381 PolarHBondContact O-N 3.18Å; T370-L383 HydrophobicContact CG2-CD1 4.38Å |
| 371 | F | 92.9 | Very high | 82.4 | Confident | 18 Ų | 18 | 56.5 Ų | 56.5 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 151.3 | -173 | 51.3 | -93.4 | 0 | 0 | 0 | 110.7 | Q307 C308 K310 E376 Y379 M380 | Q307-F371 CarbonylContact C-O 3.57Å; Q307-F371 WeakPolarHBondContact CA-O 3.47Å; Q307-F371 WeakPolarHBondContact CG-O 3.29Å; C308-F371 HydrophobicContact CB-CD2 4.32Å; C308-F371 HydrophobicContact CB-CE1 4.3Å; C308-F371 HydrophobicContact CB-CE2 3.56Å; C308-F371 HydrophobicContact CB-CZ 3.55Å; C308-F371 PolarHBondContact N-O 2.73Å; C308-F371 PolarHBondContact O-N 2.83Å; C308-F371 VanDerWaalsContact O-N 3.16Å; C308-F371 VanDerWaalsContact SG-CZ 3.57Å; K310-F371 HydrophobicContact CB-CE1 4.32Å; F371-E376 HydrophobicContact CD2-CB 4.45Å; F371-E376 HydrophobicContact CD2-CG 3.6Å; F371-E376 HydrophobicContact CE1-CG 4.39Å; F371-E376 HydrophobicContact CE2-CB 4.4Å; F371-E376 HydrophobicContact CE2-CG 3.22Å; F371-E376 HydrophobicContact CG-CG 4.34Å; F371-E376 HydrophobicContact CZ-CG 3.66Å; F371-Y379 WeakPolarHBondContact CB-O 3.49Å; F371-M380 HydrophobicContact CB-CB 4.45Å; F371-M380 HydrophobicContact CD1-CG 4.18Å; F371-M380 HydrophobicContact CD1-SD 4.32Å |
| 372 | Q | 92.4 | Very high | 83.3 | Confident | 8 Ų | 8 | 56.9 Ų | 56.9 | 4% | 0.037 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 157.7 | 167.4 | -65.7 | -167.6 | -79.4 | 0 | 0 | 111.1 | F300 S301 R304 G374 L375 | F300-Q372 HydrophobicContact CD2-CG 4.01Å; F300-Q372 HydrophobicContact CE2-CG 4.01Å; F300-Q372 VanDerWaalsContact CE2-NE2 3.26Å; F300-Q372 VanDerWaalsContact CZ-NE2 3.31Å; S301-Q372 PolarHBondContact O-NE2 3.1Å; R304-Q372 HydrophobicContact CB-CB 4.27Å; Q372-G374 PolarHBondContact O-N 2.89Å; Q372-L375 HydrophobicContact CB-CD1 4.18Å; Q372-L375 WeakPolarHBondContact O-CB 3.49Å; Q372-L375 PolarHBondContact O-N 2.87Å |
| 373 | D | 86.1 | Confident | 84 | Confident | 100 Ų | 100 | 54.6 Ų | 54.6 | 54% | 0.535 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.7 | 134 | 170.4 | -179 | 28 | 0 | 0 | 0 | 113.1 | R304 D306 L375 | R304-D373 PolarHBondContact NH1-O 2.81Å; D306-D373 PolarHBondContact O-N 3.25Å; D373-L375 VanDerWaalsContact C-N 3.29Å; D373-L375 PolarHBondContact O-N 3.46Å |
| 374 | G | 81.8 | Confident | 84.1 | Confident | 55 Ų | 55 | 60 Ų | 60 | 57% | 0.567 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 10.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q372 | Q372-G374 PolarHBondContact O-N 2.89Š|
| 375 | L | 84.9 | Confident | 83.9 | Confident | 26 Ų | 26 | 60.4 Ų | 60.4 | 14% | 0.136 | 30% | 0.299 | C | S | . | . | trans | -112.7 | -2.1 | 178.7 | -63.5 | -175.1 | 0 | 0 | 0 | 115.9 | R304 Q372 D373 T377 K378 Y379 | R304-L375 VanDerWaalsContact CZ-CD2 3.45Å; Q372-L375 HydrophobicContact CB-CD1 4.18Å; Q372-L375 WeakPolarHBondContact O-CB 3.49Å; Q372-L375 PolarHBondContact O-N 2.87Å; D373-L375 VanDerWaalsContact C-N 3.29Å; D373-L375 PolarHBondContact O-N 3.46Å; L375-T377 PolarHBondContact O-N 3.1Å; L375-K378 PolarHBondContact O-N 3.24Å; L375-Y379 HydrophobicContact CD2-CD2 4.24Å; L375-Y379 PolarHBondContact O-N 2.72Å | ||
| 376 | E | 79.8 | Confident | 83.6 | Confident | 121 Ų | 121 | 63.8 Ų | 63.8 | 57% | 0.565 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -34.8 | -40.6 | -178.2 | -80 | -179.2 | -142 | 0 | 0 | 116.7 | F371 | F371-E376 HydrophobicContact CD2-CB 4.45Å; F371-E376 HydrophobicContact CD2-CG 3.6Å; F371-E376 HydrophobicContact CE1-CG 4.39Å; F371-E376 HydrophobicContact CE2-CB 4.4Å; F371-E376 HydrophobicContact CE2-CG 3.22Å; F371-E376 HydrophobicContact CG-CG 4.34Å; F371-E376 HydrophobicContact CZ-CG 3.66Å |
| 377 | T | 72 | Confident | 82.9 | Confident | 129 Ų | 129 | 64 Ų | 64 | 79% | 0.791 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | 6.6 | -172.5 | 54 | 0 | 0 | 0 | 0 | 113.9 | L375 | L375-T377 PolarHBondContact O-N 3.1Š|
| 378 | K | 65.9 | Low | 81.8 | Confident | 161 Ų | 161 | 64 Ų | 64 | 70% | 0.7 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.3 | -44.2 | -172.1 | -62.9 | -172.9 | -179.7 | -179.6 | 0 | 114.7 | L375 | L375-K378 PolarHBondContact O-N 3.24Š|
| 379 | Y | 69.4 | Low | 80.2 | Confident | 171 Ų | 171 | 66.8 Ų | 66.8 | 67% | 0.671 | 33% | 0.329 | S | S | * | . | trans | -142.5 | 116.9 | -177 | -68.2 | -78.6 | 0 | 0 | 0 | 109.1 | F371 L375 | F371-Y379 WeakPolarHBondContact CB-O 3.49Å; L375-Y379 HydrophobicContact CD2-CD2 4.24Å; L375-Y379 PolarHBondContact O-N 2.72Å | ||
| 380 | M | 77.5 | Confident | 78.3 | Confident | 71 Ų | 71 | 72.1 Ų | 72.1 | 35% | 0.35 | 36% | 0.355 | S | S | . | . | trans | -158.4 | 114.4 | -164.2 | 176.2 | 173.2 | 63.2 | 0 | 0 | 108.4 | H369 T370 F371 | H369-M380 HydrophobicContact CB-CG 3.75Å; H369-M380 HydrophobicContact CB-SD 3.68Å; H369-M380 VanDerWaalsContact ND1-CE 3.29Å; H369-M380 WeakPolarHBondContact ND1-CE 3.38Å; H369-M380 PolarHBondContact ND1-SD 3.2Å; T370-M380 WeakPolarHBondContact O-CA 3.34Å; F371-M380 HydrophobicContact CB-CB 4.45Å; F371-M380 HydrophobicContact CD1-CG 4.18Å; F371-M380 HydrophobicContact CD1-SD 4.32Å | ||
| 381 | E | 82.4 | Confident | 76.2 | Confident | 62 Ų | 62 | 78.5 Ų | 78.5 | 29% | 0.29 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 132.6 | 178.1 | -66.9 | -60.4 | 148.7 | 0 | 0 | 109.9 | L249 Q296 F298 H369 T370 | L249-E381 HydrophobicContact CD1-CB 4.41Å; Q296-E381 PolarHBondContact NE2-OE2 3.1Å; F298-E381 HydrophobicContact CB-CG 3.52Å; F298-E381 HydrophobicContact CD2-CG 4.36Å; F298-E381 HydrophobicContact CG-CG 4.05Å; H369-E381 CarbonylContact C-O 3.56Å; H369-E381 WeakPolarHBondContact CA-O 3.45Å; T370-E381 HydrophobicContact CG2-CB 3.76Å; T370-E381 PolarHBondContact N-O 3.28Å; T370-E381 PolarHBondContact O-N 3.18Å |
| 382 | I | 83.4 | Confident | 74.1 | Confident | 89 Ų | 89 | 80.7 Ų | 80.7 | 46% | 0.456 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 104.4 | 178.2 | -56.4 | -178.1 | 0 | 0 | 0 | 108.2 | Q296 T367 | Q296-I382 PolarHBondContact NE2-O 2.84Å; Q296-I382 PolarHBondContact OE1-O 3.39Å; T367-I382 HydrophobicContact CG2-CG2 3.5Å; T367-I382 VanDerWaalsContact CG2-CG2 3.5Å |
| 383 | L | 82.4 | Confident | 72 | Confident | 6 Ų | 6 | 84.5 Ų | 84.5 | 3% | 0.031 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 122.9 | 167.2 | -69.4 | 163.9 | 0 | 0 | 0 | 108.2 | L249 V251 I267 Q296 L309 T367 M368 T370 | L249-L383 HydrophobicContact CB-CD2 3.9Å; L249-L383 HydrophobicContact CD1-CD1 4.18Å; L249-L383 HydrophobicContact CD1-CD2 3.93Å; L249-L383 HydrophobicContact CD1-CG 4.14Å; V251-L383 HydrophobicContact CG2-CD2 3.92Å; I267-L383 HydrophobicContact CD1-CD1 4Å; I267-L383 HydrophobicContact CG2-CD1 3.95Å; Q296-L383 HydrophobicContact CB-CD2 4.26Å; L309-L383 HydrophobicContact CD1-CD1 3.98Å; T367-L383 CarbonylContact C-O 3.56Å; T367-L383 WeakPolarHBondContact CA-O 3.36Å; M368-L383 HydrophobicContact CB-CB 4.34Å; M368-L383 PolarHBondContact N-O 3.28Å; M368-L383 PolarHBondContact O-N 3.48Å; T370-L383 HydrophobicContact CG2-CD1 4.38Å |
| 384 | R | 82.8 | Confident | 69.9 | Low | 162 Ų | 162 | 82.9 Ų | 82.9 | 61% | 0.611 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 121.4 | 165.9 | -178.1 | 178 | 175.6 | 135.7 | -2.6 | 108.4 | I365 V366 | I365-R384 HydrophobicContact CG2-CG 4.47Å; V366-R384 WeakPolarHBondContact O-CA 3.42Å |
| 385 | F | 80.1 | Confident | 68 | Low | 9 Ų | 9 | 84.4 Ų | 84.4 | 4% | 0.039 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 158.6 | 170.3 | 75 | -96.5 | 0 | 0 | 0 | 111.2 | V251 L265 F346 I364 I365 V366 M368 | V251-F385 HydrophobicContact CG1-CB 4.19Å; V251-F385 HydrophobicContact CG1-CD1 4.3Å; V251-F385 HydrophobicContact CG1-CG 4.37Å; L265-F385 HydrophobicContact CB-CZ 4.34Å; L265-F385 HydrophobicContact CD1-CD1 3.67Å; L265-F385 HydrophobicContact CD1-CD2 3.95Å; L265-F385 HydrophobicContact CD1-CE1 3.38Å; L265-F385 HydrophobicContact CD1-CE2 3.69Å; L265-F385 HydrophobicContact CD1-CG 3.94Å; L265-F385 HydrophobicContact CD1-CZ 3.39Å; L265-F385 HydrophobicContact CD2-CD1 3.94Å; L265-F385 HydrophobicContact CD2-CE1 3.16Å; L265-F385 HydrophobicContact CD2-CZ 3.66Å; L265-F385 HydrophobicContact CG-CD1 4.44Å; L265-F385 HydrophobicContact CG-CE1 3.83Å; L265-F385 HydrophobicContact CG-CZ 3.97Å; F346-F385 HydrophobicContact CD2-CZ 4.41Å; F346-F385 AromaticContact CE2-CZ 3.86Å; F346-F385 HydrophobicContact CE2-CZ 3.86Å; F346-F385 HydrophobicContact CZ-CZ 4.37Å; I364-F385 HydrophobicContact CG2-CE2 3.97Å; I365-F385 WeakPolarHBondContact CA-O 3.39Å; V366-F385 HydrophobicContact CB-CD1 3.88Å; V366-F385 HydrophobicContact CB-CE1 3.28Å; V366-F385 HydrophobicContact CB-CE2 4.02Å; V366-F385 HydrophobicContact CB-CG 4.47Å; V366-F385 HydrophobicContact CB-CZ 3.37Å; V366-F385 HydrophobicContact CG1-CD1 4.19Å; V366-F385 HydrophobicContact CG1-CE1 3.43Å; V366-F385 VanDerWaalsContact CG1-CE1 3.43Å; V366-F385 HydrophobicContact CG1-CZ 3.87Å; V366-F385 HydrophobicContact CG2-CE1 3.92Å; V366-F385 HydrophobicContact CG2-CE2 4.02Å; V366-F385 HydrophobicContact CG2-CZ 3.45Å; V366-F385 VanDerWaalsContact CG2-CZ 3.45Å; V366-F385 PolarHBondContact N-O 3.09Å; V366-F385 VanDerWaalsContact N-O 3.09Å; V366-F385 PolarHBondContact O-N 3.34Å; M368-F385 HydrophobicContact SD-CE1 4.45Å |
| 386 | Q | 80.5 | Confident | 66.1 | Low | 101 Ų | 101 | 88 Ų | 88 | 47% | 0.472 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 127.5 | -177.2 | -179.4 | 167.3 | -9.4 | 0 | 0 | 106.4 | E363 I364 I365 | E363-Q386 VanDerWaalsContact CD-CG 3.42Å; E363-Q386 HydrophobicContact CG-CG 3.99Å; E363-Q386 WeakPolarHBondContact OE1-CG 3.36Å; E363-Q386 PolarHBondContact OE1-NE2 3.12Å; E363-Q386 PolarHBondContact OE2-NE2 3.46Å; I364-Q386 WeakPolarHBondContact O-CA 3.37Å; I365-Q386 HydrophobicContact CG1-CG 4.14Å |
| 387 | A | 75.8 | Confident | 64.4 | Low | 3 Ų | 3 | 86.4 Ų | 86.4 | 3% | 0.025 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 116.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | E363 I364 | E363-A387 WeakPolarHBondContact CA-O 3.34Å; I364-A387 HydrophobicContact CG2-CB 4.06Å; I364-A387 PolarHBondContact N-O 3.42Å; I364-A387 PolarHBondContact O-N 3.16Å |
| 388 | S | 69 | Low | 62.8 | Low | 20 Ų | 20 | 86.9 Ų | 86.9 | 14% | 0.14 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 142.8 | 169.9 | 163.8 | 0 | 0 | 0 | 0 | 111 | N362 E390 E391 | N362-S388 WeakPolarHBondContact O-CA 3.4Å; S388-E390 PolarHBondContact O-N 3.33Å; S388-E390 PolarHBondContact OG-N 3.16Å; S388-E391 PolarHBondContact OG-N 3.43Å |
| 389 | E | 58.5 | Low | 61.8 | Low | 59 Ų | 59 | 83.9 Ų | 83.9 | 28% | 0.276 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -69.7 | -18.5 | 171.9 | -165.9 | 166.6 | -148.6 | 0 | 0 | 112.2 | R348 N362 W393 | R348-E389 IonicContact NH1-OE2 3.9Å; N362-E389 HydrophobicContact CB-CB 4.25Å; N362-E389 PolarHBondContact O-N 3.46Å; E389-W393 PolarHBondContact O-NE1 2.83Å |
| 390 | E | 54.1 | Low | 60.8 | Low | 143 Ų | 143 | 81.5 Ų | 81.5 | 67% | 0.668 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -96.8 | -31.4 | 178.9 | -69.3 | 163.4 | -140.4 | 0 | 0 | 112.1 | N362 S388 S392 | N362-E390 PolarHBondContact ND2-OE1 3.19Å; S388-E390 PolarHBondContact O-N 3.33Å; S388-E390 PolarHBondContact OG-N 3.16Å; E390-S392 PolarHBondContact O-N 3Å |
| 391 | E | 49.3 | Very low | 59.4 | Low | 134 Ų | 134 | 84.5 Ų | 84.5 | 63% | 0.626 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -78.1 | 94.2 | 178 | -70.1 | -155.5 | 146.7 | 0 | 0 | 113.3 | R292 S388 | R292-E391 PolarHBondContact NH1-O 2.67Å; S388-E391 PolarHBondContact OG-N 3.43Å |
| 392 | S | 47.3 | Very low | 57.9 | Low | 65 Ų | 65 | 85.9 Ų | 85.9 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | S | Bend | trans | 80.8 | 39.5 | 161.6 | -55.9 | 0 | 0 | 0 | 0 | 117.6 | R290 E390 A394 | R290-S392 PolarHBondContact NE-O 3.13Å; E390-S392 PolarHBondContact O-N 3Å; S392-A394 PolarHBondContact O-N 2.94Å |
| 393 | W | 49.3 | Very low | 56.2 | Low | 87 Ų | 87 | 84.6 Ų | 84.6 | 33% | 0.33 | 48% | 0.483 | S | S | . | . | trans | -74 | 27 | 141.9 | -55.6 | 137.5 | 0 | 0 | 0 | 112.6 | P255 L263 E389 A395 | P255-W393 VanDerWaalsContact CD-CH2 3.47Å; P255-W393 HydrophobicContact CG-CD2 4.5Å; P255-W393 HydrophobicContact CG-CE3 4.46Å; P255-W393 HydrophobicContact CG-CH2 3.96Å; P255-W393 HydrophobicContact CG-CZ2 3.92Å; P255-W393 HydrophobicContact CG-CZ3 4.22Å; L263-W393 HydrophobicContact CD2-CZ2 3.94Å; E389-W393 PolarHBondContact O-NE1 2.83Å; W393-A395 PolarHBondContact O-N 2.89Å | ||
| 394 | A | 41 | Very low | 54.9 | Low | 66 Ų | 66 | 86 Ų | 86 | 55% | 0.545 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -46.9 | 127.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | R290 S392 | R290-A394 PolarHBondContact NH2-O 3.11Å; S392-A394 PolarHBondContact O-N 2.94Å |
| 395 | A | 43.5 | Very low | 53.7 | Low | 88 Ų | 88 | 80 Ų | 80 | 73% | 0.727 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -50.1 | 138.6 | -151.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | W393 | W393-A395 PolarHBondContact O-N 2.89Š|
| 396 | P | 44.9 | Very low | 52.9 | Low | 100 Ų | 100 | 80 Ų | 80 | 65% | 0.649 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 153 | 170.8 | 28.3 | -35 | 0 | 0 | 0 | 109.4 | ||
| 397 | P | 42.2 | Very low | 52.4 | Low | 88 Ų | 88 | 78.1 Ų | 78.1 | 57% | 0.571 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 154.9 | 162 | 27.7 | -34.5 | 0 | 0 | 0 | 109 | V399 | P397-V399 HydrophobicContact CG-CG2 4.3Å; P397-V399 PolarHBondContact O-N 3.11Å |
| 398 | P | 39.9 | Very low | 52.5 | Low | 139 Ų | 139 | 78.3 Ų | 78.3 | 90% | 0.903 | 46% | 0.464 | S | S | * | . | trans | -70 | 77.3 | -176.5 | 29 | -35.7 | 0 | 0 | 0 | 111.7 | ||||
| 399 | V | 44.7 | Very low | 52.9 | Low | 99 Ų | 99 | 78.2 Ų | 78.2 | 60% | 0.6 | 46% | 0.463 | S | S | * | . | trans | -76.1 | 123.9 | 169.1 | -172.7 | 0 | 0 | 0 | 0 | 107.2 | P397 Q401 | P397-V399 HydrophobicContact CG-CG2 4.3Å; P397-V399 PolarHBondContact O-N 3.11Å; V399-Q401 WeakPolarHBondContact CG1-O 3.39Å; V399-Q401 PolarHBondContact O-N 3.08Å; V399-Q401 VanDerWaalsContact O-N 3.07Å | ||
| 400 | S | 48.2 | Very low | 53.7 | Low | 121 Ų | 121 | 79.4 Ų | 79.4 | 85% | 0.846 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -74.6 | 9.9 | -176.5 | 49.7 | 0 | 0 | 0 | 0 | 114.4 | ||
| 401 | Q | 48.9 | Very low | 54.9 | Low | 133 Ų | 133 | 78.3 Ų | 78.3 | 62% | 0.621 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -145 | 148.8 | -175.8 | -63.6 | -176.1 | -8.4 | 0 | 0 | 109.2 | V399 | V399-Q401 WeakPolarHBondContact CG1-O 3.39Å; V399-Q401 PolarHBondContact O-N 3.08Å; V399-Q401 VanDerWaalsContact O-N 3.07Å |
| 402 | P | 49.4 | Very low | 56.6 | Low | 91 Ų | 91 | 72.2 Ų | 72.2 | 59% | 0.591 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 149 | 170.3 | 28.9 | -34.8 | 0 | 0 | 0 | 110.3 | P258 | P258-P402 HydrophobicContact CG-CB 4.15Š|
| 403 | P | 48.5 | Very low | 58.4 | Low | 63 Ų | 63 | 70.7 Ų | 70.7 | 41% | 0.409 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 132 | 173.2 | 25.8 | -33.9 | 0 | 0 | 0 | 109.2 | P258 P286 | P258-P403 HydrophobicContact CG-CG 4.48Å; P286-P403 WeakPolarHBondContact O-CA 3.47Å; P286-P403 VanDerWaalsContact O-CB 3.24Å; P286-P403 WeakPolarHBondContact O-CB 3.48Å |
| 404 | P | 55.1 | Low | 60.2 | Low | 34 Ų | 34 | 72.6 Ų | 72.6 | 22% | 0.221 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 141.3 | 176.4 | 22.4 | -28.3 | 0 | 0 | 0 | 110.2 | H287 N406 | H287-P404 PolarHBondContact CD2-O 3.27Å; P404-N406 PolarHBondContact O-OD1 3.16Å |
| 405 | C | 56.3 | Low | 62.6 | Low | 36 Ų | 36 | 74 Ų | 74 | 24% | 0.243 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -82.8 | 121.5 | 167.8 | -159 | 0 | 0 | 0 | 0 | 107.9 | R407 | C405-R407 VanDerWaalsContact C-N 3.26Š|
| 406 | N | 63.8 | Low | 64.8 | Low | 10 Ų | 10 | 69.9 Ų | 69.9 | 5% | 0.053 | 40% | 0.401 | C | S | . | . | trans | -93.4 | 7.7 | 179.5 | -54.6 | -14.8 | 0 | 0 | 0 | 112.3 | H287 P404 N465 | H287-N406 PolarHBondContact CD2-ND2 3.16Å; H287-N406 PolarHBondContact CD2-OD1 2.8Å; H287-N406 VanDerWaalsContact CD2-OD1 3.29Å; H287-N406 PolarHBondContact CE1-ND2 3.14Å; H287-N406 PolarHBondContact ND1-ND2 3.16Å; H287-N406 PolarHBondContact NE2-ND2 2.91Å; H287-N406 PolarHBondContact NE2-OD1 3.21Å; P404-N406 PolarHBondContact O-OD1 3.16Å; N406-N465 PolarHBondContact ND2-ND2 2.05Å; N406-N465 PolarHBondContact ND2-OD1 3.01Å | ||
| 407 | R | 71.4 | Confident | 67.1 | Low | 62 Ų | 62 | 67.5 Ų | 67.5 | 23% | 0.234 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -104.4 | 131.9 | 166.3 | -162.3 | -171.6 | -174.9 | 162.9 | 1.8 | 108.1 | D322 C345 C405 E462 | D322-R407 IonicContact OD1-CZ 3.17Å; D322-R407 IonicContact OD1-NH1 2.73Å; D322-R407 PolarHBondContact OD1-NH1 3.03Å; D322-R407 IonicContact OD1-NH2 2.74Å; D322-R407 PolarHBondContact OD1-NH2 2.83Å; C345-R407 PolarHBondContact SG-NH1 3.19Å; C405-R407 VanDerWaalsContact C-N 3.26Å; R407-E462 VanDerWaalsContact CA-OE1 3.29Å; R407-E462 WeakPolarHBondContact CA-OE1 3.48Å; R407-E462 WeakPolarHBondContact CG-OE1 3.27Å |
| 408 | L | 76.9 | Confident | 69.5 | Low | 7 Ų | 7 | 70.2 Ų | 70.2 | 4% | 0.037 | 39% | 0.388 | C | S | . | . | trans | -69.7 | 128.7 | 169.7 | -62 | 172.6 | 0 | 0 | 0 | 108.1 | F413 L416 L458 E462 L468 L471 | L408-F413 HydrophobicContact CB-CB 3.96Å; L408-F413 HydrophobicContact CB-CD2 4.03Å; L408-F413 HydrophobicContact CD1-CD2 3.78Å; L408-F413 HydrophobicContact CD1-CE2 4.45Å; L408-L416 HydrophobicContact CD2-CD1 4.39Å; L408-L458 HydrophobicContact CD1-CB 3.96Å; L408-L458 HydrophobicContact CD1-CD2 3.91Å; L408-L458 HydrophobicContact CD1-CG 4.36Å; L408-E462 HydrophobicContact CD1-CG 4.5Å; L408-E462 HydrophobicContact CG-CG 4.36Å; L408-E462 PolarHBondContact N-OE1 2.64Å; L408-L468 HydrophobicContact CD2-CD2 3.62Å; L408-L471 HydrophobicContact CD1-CD2 4.27Å; L408-L471 HydrophobicContact CD2-CD2 3.71Å | ||
| 409 | P | 77.8 | Confident | 72 | Confident | 17 Ų | 17 | 65.8 Ų | 65.8 | 11% | 0.11 | 36% | 0.357 | C | S | . | . | trans | -52.9 | 140 | 167.9 | -20 | 28 | 0 | 0 | 0 | 109.6 | E411 L412 F413 Y490 | P409-E411 PolarHBondContact O-N 2.88Å; P409-E411 VanDerWaalsContact O-N 3.16Å; P409-L412 HydrophobicContact CB-CB 4.17Å; P409-L412 HydrophobicContact CG-CB 4.19Å; P409-L412 HydrophobicContact CG-CD2 4.45Å; P409-L412 CarbonylContact O-C 3.59Å; P409-L412 PolarHBondContact O-N 2.88Å; P409-F413 PolarHBondContact O-N 3.09Å; P409-Y490 HydrophobicContact CB-CE2 3.95Å; P409-Y490 HydrophobicContact CG-CD1 4.08Å; P409-Y490 HydrophobicContact CG-CD2 4.05Å; P409-Y490 HydrophobicContact CG-CE1 3.51Å; P409-Y490 HydrophobicContact CG-CE2 3.48Å; P409-Y490 VanDerWaalsContact CG-CE2 3.48Å; P409-Y490 HydrophobicContact CG-CG 4.33Å; P409-Y490 WeakPolarHBondContact CG-OH 3.48Å | ||
| 410 | P | 74.3 | Confident | 74.3 | Confident | 84 Ų | 84 | 61.1 Ų | 61.1 | 55% | 0.545 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -51.8 | -42.3 | -176.4 | -28.4 | 35.8 | 0 | 0 | 0 | 113.4 | L412 F413 E414 | P410-L412 PolarHBondContact O-N 3.23Å; P410-F413 PolarHBondContact O-N 3.03Å; P410-E414 WeakPolarHBondContact O-CG 3.34Å; P410-E414 PolarHBondContact O-N 2.8Å |
| 411 | E | 80 | Confident | 76.4 | Confident | 121 Ų | 121 | 58.3 Ų | 58.3 | 57% | 0.565 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64.6 | -38.9 | 179.5 | -54 | 81.6 | 177.3 | 0 | 0 | 112 | P409 Q415 | P409-E411 PolarHBondContact O-N 2.88Å; P409-E411 VanDerWaalsContact O-N 3.16Å; E411-Q415 VanDerWaalsContact O-CB 3.28Å; E411-Q415 WeakPolarHBondContact O-CB 3.14Å; E411-Q415 PolarHBondContact O-N 2.86Å |
| 412 | L | 84.5 | Confident | 78.4 | Confident | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -76.7 | -34.1 | 176.7 | -176.9 | 62.3 | 0 | 0 | 0 | 111.5 | P409 P410 L416 L468 A486 I487 Y490 | P409-L412 HydrophobicContact CB-CB 4.17Å; P409-L412 HydrophobicContact CG-CB 4.19Å; P409-L412 HydrophobicContact CG-CD2 4.45Å; P409-L412 CarbonylContact O-C 3.59Å; P409-L412 PolarHBondContact O-N 2.88Å; P410-L412 PolarHBondContact O-N 3.23Å; L412-L416 HydrophobicContact CD1-CD1 4.08Å; L412-L416 HydrophobicContact CD1-CG 4.07Å; L412-L416 HydrophobicContact CG-CD1 3.89Å; L412-L416 HydrophobicContact CG-CG 4.32Å; L412-L416 VanDerWaalsContact O-CB 3.29Å; L412-L416 WeakPolarHBondContact O-CB 3.18Å; L412-L416 WeakPolarHBondContact O-CG 3.17Å; L412-L416 PolarHBondContact O-N 3.18Å; L412-L468 HydrophobicContact CD2-CD2 3.68Å; L412-A486 HydrophobicContact CD1-CB 3.98Å; L412-I487 HydrophobicContact CD1-CG1 4.26Å; L412-I487 HydrophobicContact CD2-CG1 4.32Å; L412-Y490 HydrophobicContact CD2-CD1 4.16Å; L412-Y490 HydrophobicContact CD2-CG 4.05Å |
| 413 | F | 86.3 | Confident | 80 | Confident | 34 Ų | 34 | 57.1 Ų | 57.1 | 15% | 0.149 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.8 | -51.7 | 173.6 | -174.9 | -75.6 | 0 | 0 | 0 | 110.2 | L408 P409 P410 Q415 L416 Q417 A455 L458 E459 | L408-F413 HydrophobicContact CB-CB 3.96Å; L408-F413 HydrophobicContact CB-CD2 4.03Å; L408-F413 HydrophobicContact CD1-CD2 3.78Å; L408-F413 HydrophobicContact CD1-CE2 4.45Å; P409-F413 PolarHBondContact O-N 3.09Å; P410-F413 PolarHBondContact O-N 3.03Å; F413-Q415 VanDerWaalsContact C-N 3.34Å; F413-Q415 PolarHBondContact O-N 3.45Å; F413-L416 PolarHBondContact O-N 3.45Å; F413-Q417 VanDerWaalsContact O-CB 3.23Å; F413-Q417 WeakPolarHBondContact O-CB 3.3Å; F413-Q417 PolarHBondContact O-N 3.27Å; F413-A455 HydrophobicContact CE1-CB 3.96Å; F413-A455 HydrophobicContact CZ-CB 3.94Å; F413-L458 HydrophobicContact CD2-CB 4.1Å; F413-L458 HydrophobicContact CE2-CB 3.57Å; F413-L458 HydrophobicContact CZ-CB 4Å; F413-E459 HydrophobicContact CE2-CG 4.26Å; F413-E459 HydrophobicContact CZ-CG 4.09Å |
| 414 | E | 86.9 | Confident | 81.7 | Confident | 127 Ų | 127 | 55.8 Ų | 55.8 | 59% | 0.593 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -59.8 | -43.6 | 176.6 | -73.5 | -172.8 | 172.1 | 0 | 0 | 111.6 | P410 Q417 M418 | P410-E414 WeakPolarHBondContact O-CG 3.34Å; P410-E414 PolarHBondContact O-N 2.8Å; E414-Q417 PolarHBondContact O-N 3.34Å; E414-M418 WeakPolarHBondContact O-CB 3.3Å; E414-M418 VanDerWaalsContact O-CG 3.29Å; E414-M418 WeakPolarHBondContact O-CG 3.3Å; E414-M418 PolarHBondContact O-N 3.46Å |
| 415 | Q | 90.6 | Very high | 82.6 | Confident | 96 Ų | 96 | 62.9 Ų | 62.9 | 45% | 0.449 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62 | -47.8 | 176.8 | -174 | 176.7 | 11 | 0 | 0 | 111.9 | E411 F413 M418 L419 A486 | E411-Q415 VanDerWaalsContact O-CB 3.28Å; E411-Q415 WeakPolarHBondContact O-CB 3.14Å; E411-Q415 PolarHBondContact O-N 2.86Å; F413-Q415 VanDerWaalsContact C-N 3.34Å; F413-Q415 PolarHBondContact O-N 3.45Å; Q415-M418 PolarHBondContact O-N 3.28Å; Q415-L419 HydrophobicContact CG-CD1 4.21Å; Q415-L419 VanDerWaalsContact O-CG 3.27Å; Q415-L419 WeakPolarHBondContact O-CG 3.4Å; Q415-L419 PolarHBondContact O-N 2.87Å; Q415-A486 HydrophobicContact CG-CB 4.29Å |
| 416 | L | 91 | Very high | 83.6 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.1 | -37.6 | 178.5 | -72 | 171.8 | 0 | 0 | 0 | 112 | L408 L412 F413 L419 L420 L458 L471 C483 I487 | L408-L416 HydrophobicContact CD2-CD1 4.39Å; L412-L416 HydrophobicContact CD1-CD1 4.08Å; L412-L416 HydrophobicContact CD1-CG 4.07Å; L412-L416 HydrophobicContact CG-CD1 3.89Å; L412-L416 HydrophobicContact CG-CG 4.32Å; L412-L416 VanDerWaalsContact O-CB 3.29Å; L412-L416 WeakPolarHBondContact O-CB 3.18Å; L412-L416 WeakPolarHBondContact O-CG 3.17Å; L412-L416 PolarHBondContact O-N 3.18Å; F413-L416 PolarHBondContact O-N 3.45Å; L416-L419 PolarHBondContact O-N 2.97Å; L416-L420 HydrophobicContact CB-CD1 4.47Å; L416-L420 VanDerWaalsContact O-CB 3.26Å; L416-L420 WeakPolarHBondContact O-CB 3.44Å; L416-L420 WeakPolarHBondContact O-CD1 3.29Å; L416-L420 WeakPolarHBondContact O-CG 3.4Å; L416-L420 PolarHBondContact O-N 3.06Å; L416-L458 HydrophobicContact CB-CD1 3.81Å; L416-L458 HydrophobicContact CB-CD2 4.33Å; L416-L471 HydrophobicContact CD1-CD2 3.76Å; L416-C483 HydrophobicContact CD2-CB 3.65Å; L416-I487 HydrophobicContact CD1-CD1 4.11Å; L416-I487 HydrophobicContact CD1-CG1 3.92Å; L416-I487 HydrophobicContact CD2-CD1 4.1Å; L416-I487 HydrophobicContact CD2-CG1 4.1Å |
| 417 | Q | 93.1 | Very high | 84.4 | Confident | 51 Ų | 51 | 66.8 Ų | 66.8 | 24% | 0.238 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.5 | -52 | 172.9 | -178 | -172.2 | 0.7 | 0 | 0 | 110.1 | F413 E414 L419 L420 E421 S452 A454 A455 L458 | F413-Q417 VanDerWaalsContact O-CB 3.23Å; F413-Q417 WeakPolarHBondContact O-CB 3.3Å; F413-Q417 PolarHBondContact O-N 3.27Å; E414-Q417 PolarHBondContact O-N 3.34Å; Q417-L419 VanDerWaalsContact C-N 3.26Å; Q417-L419 PolarHBondContact O-N 3.07Å; Q417-L420 PolarHBondContact O-N 3.45Å; Q417-L420 VanDerWaalsContact O-N 3.14Å; Q417-E421 VanDerWaalsContact O-CB 3.24Å; Q417-E421 WeakPolarHBondContact O-CB 3.21Å; Q417-E421 PolarHBondContact O-N 3.45Å; Q417-S452 PolarHBondContact NE2-OG 2.84Å; Q417-A454 HydrophobicContact CG-CB 4.04Å; Q417-A455 HydrophobicContact CG-CB 4.24Å; Q417-L458 HydrophobicContact CB-CD1 4.18Å |
| 418 | M | 91.5 | Very high | 85.3 | Confident | 144 Ų | 144 | 64.7 Ų | 64.7 | 71% | 0.709 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.9 | -31.6 | 179 | -76.3 | -65.4 | -63.8 | 0 | 0 | 113.4 | E414 Q415 P422 | E414-M418 WeakPolarHBondContact O-CB 3.3Å; E414-M418 VanDerWaalsContact O-CG 3.29Å; E414-M418 WeakPolarHBondContact O-CG 3.3Å; E414-M418 PolarHBondContact O-N 3.46Å; Q415-M418 PolarHBondContact O-N 3.28Å; M418-P422 VanDerWaalsContact O-CD 3.3Å; M418-P422 WeakPolarHBondContact O-CD 3.48Å |
| 419 | L | 92.6 | Very high | 86 | Confident | 47 Ų | 47 | 64.4 Ų | 64.4 | 25% | 0.246 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -78.7 | -33.6 | 174.7 | -67.7 | 172.5 | 0 | 0 | 0 | 113 | Q415 L416 Q417 R480 C483 | Q415-L419 HydrophobicContact CG-CD1 4.21Å; Q415-L419 VanDerWaalsContact O-CG 3.27Å; Q415-L419 WeakPolarHBondContact O-CG 3.4Å; Q415-L419 PolarHBondContact O-N 2.87Å; L416-L419 PolarHBondContact O-N 2.97Å; Q417-L419 VanDerWaalsContact C-N 3.26Å; Q417-L419 PolarHBondContact O-N 3.07Å; L419-R480 PolarHBondContact O-NH1 3.43Å; L419-R480 PolarHBondContact O-NH2 3.18Å; L419-C483 VanDerWaalsContact CB-SG 3.55Å |
| 420 | L | 92.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -93.3 | -19 | -174.2 | -67.7 | 167.3 | 0 | 0 | 0 | 114.5 | L416 Q417 W430 L433 A454 L458 M475 | L416-L420 HydrophobicContact CB-CD1 4.47Å; L416-L420 VanDerWaalsContact O-CB 3.26Å; L416-L420 WeakPolarHBondContact O-CB 3.44Å; L416-L420 WeakPolarHBondContact O-CD1 3.29Å; L416-L420 WeakPolarHBondContact O-CG 3.4Å; L416-L420 PolarHBondContact O-N 3.06Å; Q417-L420 PolarHBondContact O-N 3.45Å; Q417-L420 VanDerWaalsContact O-N 3.14Å; L420-W430 HydrophobicContact CB-CB 4.5Å; L420-W430 PolarHBondContact O-N 3.25Å; L420-L433 HydrophobicContact CD1-CD2 4.15Å; L420-A454 HydrophobicContact CB-CB 3.91Å; L420-L458 HydrophobicContact CD1-CD1 4.39Å; L420-L458 HydrophobicContact CD1-CD2 3.98Å; L420-L458 HydrophobicContact CD1-CG 4.33Å; L420-M475 HydrophobicContact CD1-CE 3.68Å; L420-M475 HydrophobicContact CD2-CE 4.18Å; L420-M475 HydrophobicContact CD2-SD 4.13Å; L420-M475 HydrophobicContact CG-CE 4.49Å |
| 421 | E | 92.9 | Very high | 87.5 | Confident | 62 Ų | 62 | 63.6 Ų | 63.6 | 29% | 0.29 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -67.3 | -37.1 | 178.8 | -171.3 | 74 | -164 | 0 | 0 | 114.2 | Q417 N423 S452 P453 A454 | Q417-E421 VanDerWaalsContact O-CB 3.24Å; Q417-E421 WeakPolarHBondContact O-CB 3.21Å; Q417-E421 PolarHBondContact O-N 3.45Å; E421-N423 PolarHBondContact O-N 2.94Å; E421-S452 WeakPolarHBondContact OE2-CA 3.37Å; E421-S452 WeakPolarHBondContact OE2-CB 3.21Å; E421-S452 PolarHBondContact OE2-OG 3.16Å; E421-P453 WeakPolarHBondContact OE1-CD 3.32Å; E421-P453 WeakPolarHBondContact OE2-CD 3.47Å; E421-A454 HydrophobicContact CB-CB 3.88Å; E421-A454 WeakPolarHBondContact OE2-CB 3.47Å; E421-A454 PolarHBondContact OE2-N 3.5Å |
| 422 | P | 89.8 | Confident | 88 | Confident | 81 Ų | 81 | 61.6 Ų | 61.6 | 53% | 0.526 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -62.1 | 120.7 | 178.6 | -24.6 | 35.6 | 0 | 0 | 0 | 113 | M418 S424 | M418-P422 VanDerWaalsContact O-CD 3.3Å; M418-P422 WeakPolarHBondContact O-CD 3.48Å; P422-S424 PolarHBondContact O-N 3.49Å; P422-S424 VanDerWaalsContact O-N 3.1Å |
| 423 | N | 84.3 | Confident | 88.2 | Confident | 118 Ų | 118 | 61.3 Ų | 61.3 | 63% | 0.631 | 31% | 0.313 | S | S | * | . | trans | -65.9 | 109.6 | -179.8 | -71.3 | -68.7 | 0 | 0 | 0 | 111.8 | E421 | E421-N423 PolarHBondContact O-N 2.94Š| ||
| 424 | S | 82.9 | Confident | 88.1 | Confident | 35 Ų | 35 | 59.7 Ų | 59.7 | 25% | 0.245 | 31% | 0.306 | C | S | . | . | trans | -76.3 | 142.3 | 172.8 | 175.6 | 0 | 0 | 0 | 0 | 111.7 | P422 T426 G427 N428 D429 R431 | P422-S424 PolarHBondContact O-N 3.49Å; P422-S424 VanDerWaalsContact O-N 3.1Å; S424-T426 VanDerWaalsContact C-N 3.26Å; S424-T426 PolarHBondContact O-N 3.24Å; S424-T426 PolarHBondContact OG-N 2.88Å; S424-T426 PolarHBondContact OG-OG1 3.28Å; S424-T426 VanDerWaalsContact OG-OG1 3.08Å; S424-G427 PolarHBondContact O-N 2.79Å; S424-N428 PolarHBondContact OG-N 3.1Å; S424-D429 WeakPolarHBondContact CB-OD2 3.36Å; S424-D429 PolarHBondContact N-OD2 2.93Å; S424-R431 PolarHBondContact O-NH2 3Å | ||
| 425 | I | 75.6 | Confident | 87.8 | Confident | 183 Ų | 183 | 56.7 Ų | 56.7 | 94% | 0.938 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -33.6 | 178 | -46.5 | 175.2 | 0 | 0 | 0 | 110.5 | G427 | I425-G427 VanDerWaalsContact C-N 3.26Å; I425-G427 PolarHBondContact O-N 3.14Å |
| 426 | T | 76.9 | Confident | 87.2 | Confident | 113 Ų | 113 | 54.2 Ų | 54.2 | 69% | 0.693 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 2.5 | 175.3 | 59.9 | 0 | 0 | 0 | 0 | 113.2 | S424 N428 | S424-T426 VanDerWaalsContact C-N 3.26Å; S424-T426 PolarHBondContact O-N 3.24Å; S424-T426 PolarHBondContact OG-N 2.88Å; S424-T426 PolarHBondContact OG-OG1 3.28Å; S424-T426 VanDerWaalsContact OG-OG1 3.08Å; T426-N428 PolarHBondContact O-N 3.45Å |
| 427 | G | 80.9 | Confident | 86.4 | Confident | 15 Ų | 15 | 55.2 Ų | 55.2 | 16% | 0.155 | 29% | 0.292 | C | S | . | . | trans | 70 | 11.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S424 I425 D429 R432 | S424-G427 PolarHBondContact O-N 2.79Å; I425-G427 VanDerWaalsContact C-N 3.26Å; I425-G427 PolarHBondContact O-N 3.14Å; G427-D429 PolarHBondContact O-N 3.46Å; G427-R432 WeakPolarHBondContact O-CB 3.38Å; G427-R432 PolarHBondContact O-N 2.76Å | ||
| 428 | N | 88.6 | Confident | 85.3 | Confident | 19 Ų | 19 | 55.8 Ų | 55.8 | 10% | 0.102 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | 65.2 | 179.4 | -163.2 | 11.1 | 0 | 0 | 0 | 113.1 | S424 T426 R432 M478 R480 | S424-N428 PolarHBondContact OG-N 3.1Å; T426-N428 PolarHBondContact O-N 3.45Å; N428-R432 WeakPolarHBondContact OD1-CD 3.42Å; N428-M478 VanDerWaalsContact CG-O 3.28Å; N428-M478 PolarHBondContact ND2-O 2.8Å; N428-M478 PolarHBondContact OD1-O 3.09Å; N428-R480 PolarHBondContact O-NH1 2.78Å; N428-R480 VanDerWaalsContact O-NH1 3.08Å |
| 429 | D | 91.9 | Very high | 84.4 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -147.8 | -157.1 | -176 | 53 | 56.9 | 0 | 0 | 0 | 109.6 | S424 G427 R431 R432 L433 | S424-D429 WeakPolarHBondContact CB-OD2 3.36Å; S424-D429 PolarHBondContact N-OD2 2.93Å; G427-D429 PolarHBondContact O-N 3.46Å; D429-R431 PolarHBondContact O-N 2.98Å; D429-R431 WeakPolarHBondContact OD1-CB 3.28Å; D429-R431 VanDerWaalsContact OD1-CG 3.26Å; D429-R431 WeakPolarHBondContact OD1-CG 3.21Å; D429-R431 IonicContact OD1-CZ 3.79Å; D429-R431 PolarHBondContact OD1-N 3.26Å; D429-R431 IonicContact OD1-NE 2.65Å; D429-R431 PolarHBondContact OD1-NE 3.19Å; D429-R431 IonicContact OD1-NH2 2.79Å; D429-R431 IonicContact OD2-CZ 2.72Å; D429-R431 IonicContact OD2-NE 3.47Å; D429-R431 PolarHBondContact OD2-NE 2.96Å; D429-R431 IonicContact OD2-NH2 3.7Å; D429-R431 PolarHBondContact OD2-NH2 3Å; D429-R432 PolarHBondContact O-N 3.27Å; D429-L433 PolarHBondContact O-N 3.29Å |
| 430 | W | 92.8 | Very high | 83 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 2% | 0.019 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -45.6 | -29 | 173.2 | 68.9 | -95.9 | 0 | 0 | 0 | 113.9 | L420 A434 I444 L447 P453 A454 I457 | L420-W430 HydrophobicContact CB-CB 4.5Å; L420-W430 PolarHBondContact O-N 3.25Å; W430-A434 VanDerWaalsContact O-CB 3.24Å; W430-A434 WeakPolarHBondContact O-CB 3.39Å; W430-A434 PolarHBondContact O-N 2.79Å; W430-I444 HydrophobicContact CH2-CG2 4.12Å; W430-I444 WeakPolarHBondContact CH2-O 3.38Å; W430-I444 HydrophobicContact CZ3-CG2 3.81Å; W430-I444 WeakPolarHBondContact CZ3-O 3.29Å; W430-L447 HydrophobicContact CE3-CB 4.32Å; W430-L447 HydrophobicContact CH2-CB 4.22Å; W430-L447 HydrophobicContact CZ3-CB 3.61Å; W430-L447 HydrophobicContact CZ3-CD1 4.47Å; W430-P453 HydrophobicContact CD2-CB 3.43Å; W430-P453 VanDerWaalsContact CD2-CB 3.43Å; W430-P453 VanDerWaalsContact CE2-CB 3.41Å; W430-P453 HydrophobicContact CE3-CB 3.74Å; W430-P453 HydrophobicContact CG-CB 3.93Å; W430-P453 HydrophobicContact CH2-CB 4.05Å; W430-P453 HydrophobicContact CZ2-CB 3.74Å; W430-P453 HydrophobicContact CZ2-CG 4.1Å; W430-P453 HydrophobicContact CZ3-CB 4.05Å; W430-A454 HydrophobicContact CB-CB 4.31Å; W430-I457 HydrophobicContact CB-CG2 3.84Å |
| 431 | R | 92.3 | Very high | 81.8 | Confident | 79 Ų | 79 | 52.9 Ų | 52.9 | 30% | 0.298 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69.2 | -38.4 | 176 | -64.5 | 173.5 | -74.7 | 174.8 | -5.1 | 113.2 | S424 D429 A434 S435 I444 | S424-R431 PolarHBondContact O-NH2 3Å; D429-R431 PolarHBondContact O-N 2.98Å; D429-R431 WeakPolarHBondContact OD1-CB 3.28Å; D429-R431 VanDerWaalsContact OD1-CG 3.26Å; D429-R431 WeakPolarHBondContact OD1-CG 3.21Å; D429-R431 IonicContact OD1-CZ 3.79Å; D429-R431 PolarHBondContact OD1-N 3.26Å; D429-R431 IonicContact OD1-NE 2.65Å; D429-R431 PolarHBondContact OD1-NE 3.19Å; D429-R431 IonicContact OD1-NH2 2.79Å; D429-R431 IonicContact OD2-CZ 2.72Å; D429-R431 IonicContact OD2-NE 3.47Å; D429-R431 PolarHBondContact OD2-NE 2.96Å; D429-R431 IonicContact OD2-NH2 3.7Å; D429-R431 PolarHBondContact OD2-NH2 3Å; R431-A434 PolarHBondContact O-N 3.47Å; R431-S435 PolarHBondContact O-N 3.12Å; R431-I444 HydrophobicContact CB-CG2 4.08Å; R431-I444 HydrophobicContact CG-CG2 3.83Å |
| 432 | R | 88.7 | Confident | 80.4 | Confident | 79 Ų | 79 | 57.5 Ų | 57.5 | 30% | 0.298 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -74.5 | -38.6 | 176.9 | -172.9 | 158.1 | 170.4 | 177.8 | -12.2 | 110.6 | G427 N428 D429 S435 H436 M478 E479 | G427-R432 WeakPolarHBondContact O-CB 3.38Å; G427-R432 PolarHBondContact O-N 2.76Å; N428-R432 WeakPolarHBondContact OD1-CD 3.42Å; D429-R432 PolarHBondContact O-N 3.27Å; R432-S435 PolarHBondContact O-N 3.35Å; R432-H436 PolarHBondContact O-N 3.1Å; R432-H436 VanDerWaalsContact O-N 3.13Å; R432-H436 PolarHBondContact O-ND1 2.86Å; R432-M478 HydrophobicContact CG-CB 3.94Å; R432-E479 IonicContact NH2-OE2 2.71Å |
| 433 | L | 89.5 | Confident | 79.2 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56.6 | -50.6 | 168 | -179.3 | 59.8 | 0 | 0 | 0 | 110.8 | L420 D429 S435 H436 L437 I457 L458 L471 L474 M475 M478 | L420-L433 HydrophobicContact CD1-CD2 4.15Å; D429-L433 PolarHBondContact O-N 3.29Å; L433-S435 VanDerWaalsContact C-N 3.25Å; L433-S435 PolarHBondContact O-N 2.87Å; L433-H436 PolarHBondContact O-N 3Å; L433-L437 HydrophobicContact CD1-CD1 4.13Å; L433-L437 HydrophobicContact CD1-CG 4.16Å; L433-L437 HydrophobicContact CG-CD1 4.1Å; L433-L437 HydrophobicContact CG-CG 4.42Å; L433-L437 WeakPolarHBondContact O-CG 3.45Å; L433-L437 PolarHBondContact O-N 3.09Å; L433-I457 HydrophobicContact CB-CG1 4.41Å; L433-I457 HydrophobicContact CD2-CG1 3.94Å; L433-I457 HydrophobicContact CD2-CG2 3.83Å; L433-I457 HydrophobicContact CG-CG1 3.95Å; L433-L458 HydrophobicContact CD2-CD2 4.26Å; L433-L471 HydrophobicContact CD1-CD1 4.18Å; L433-L474 HydrophobicContact CD1-CB 4.48Å; L433-L474 HydrophobicContact CD1-CD1 4.18Å; L433-M475 HydrophobicContact CD1-CE 4.22Å; L433-M475 HydrophobicContact CD2-CE 4Å; L433-M478 HydrophobicContact CB-CE 3.88Å; L433-M478 HydrophobicContact CD1-CE 3.84Å; L433-M478 HydrophobicContact CG-CE 4.43Å |
| 434 | A | 83.4 | Confident | 79.1 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57 | -37.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | W430 R431 L437 L439 I444 L447 I457 | W430-A434 VanDerWaalsContact O-CB 3.24Å; W430-A434 WeakPolarHBondContact O-CB 3.39Å; W430-A434 PolarHBondContact O-N 2.79Å; R431-A434 PolarHBondContact O-N 3.47Å; A434-L437 CarbonylContact O-C 3.6Å; A434-L437 PolarHBondContact O-N 3.48Å; A434-L439 HydrophobicContact CB-CB 4.38Å; A434-L439 HydrophobicContact CB-CD1 3.75Å; A434-L439 VanDerWaalsContact O-CB 3.26Å; A434-L439 WeakPolarHBondContact O-CB 3.19Å; A434-L439 PolarHBondContact O-N 2.61Å; A434-I444 HydrophobicContact CB-CD1 4.19Å; A434-I444 HydrophobicContact CB-CG1 3.93Å; A434-L447 HydrophobicContact CB-CD1 4.39Å; A434-I457 HydrophobicContact CB-CD1 3.62Å; A434-I457 HydrophobicContact CB-CG1 4.05Å |
| 435 | S | 80.6 | Confident | 79.1 | Confident | 63 Ų | 63 | 61.7 Ų | 61.7 | 44% | 0.441 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69 | -32 | 175.1 | -168.3 | 0 | 0 | 0 | 0 | 113.6 | R431 R432 L433 | R431-S435 PolarHBondContact O-N 3.12Å; R432-S435 PolarHBondContact O-N 3.35Å; L433-S435 VanDerWaalsContact C-N 3.25Å; L433-S435 PolarHBondContact O-N 2.87Å |
| 436 | H | 78.6 | Confident | 79 | Confident | 45 Ų | 45 | 59.5 Ų | 59.5 | 21% | 0.208 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -73.7 | -36.2 | 173.9 | -70.9 | 69.4 | 0 | 0 | 0 | 110.9 | H68 R432 L433 G438 L474 | H68-H436 AromaticContact NE2-CD2 3.57Å; H68-H436 AromaticContact NE2-NE2 3.58Å; R432-H436 PolarHBondContact O-N 3.1Å; R432-H436 VanDerWaalsContact O-N 3.13Å; R432-H436 PolarHBondContact O-ND1 2.86Å; L433-H436 PolarHBondContact O-N 3Å; H436-G438 PolarHBondContact O-N 2.79Å; H436-L474 HydrophobicContact CB-CD2 3.97Å |
| 437 | L | 75.5 | Confident | 79.4 | Confident | 20 Ų | 20 | 54.9 Ų | 54.9 | 11% | 0.105 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 25.3 | 172.5 | -55.3 | -176.2 | 0 | 0 | 0 | 113.8 | L433 A434 L439 I457 L460 F461 L474 | L433-L437 HydrophobicContact CD1-CD1 4.13Å; L433-L437 HydrophobicContact CD1-CG 4.16Å; L433-L437 HydrophobicContact CG-CD1 4.1Å; L433-L437 HydrophobicContact CG-CG 4.42Å; L433-L437 WeakPolarHBondContact O-CG 3.45Å; L433-L437 PolarHBondContact O-N 3.09Å; A434-L437 CarbonylContact O-C 3.6Å; A434-L437 PolarHBondContact O-N 3.48Å; L437-L439 VanDerWaalsContact C-N 3.29Å; L437-L439 PolarHBondContact O-N 2.8Å; L437-I457 HydrophobicContact CD1-CD1 4.07Å; L437-I457 HydrophobicContact CD1-CG1 4.17Å; L437-L460 HydrophobicContact CB-CD2 4.25Å; L437-L460 HydrophobicContact CD1-CD2 4.03Å; L437-F461 HydrophobicContact CD1-CB 4Å; L437-F461 HydrophobicContact CD1-CD2 4.07Å; L437-F461 HydrophobicContact CD2-CD2 3.88Å; L437-F461 HydrophobicContact CD2-CE2 4.42Å; L437-L474 HydrophobicContact CD2-CD1 3.8Å |
| 438 | G | 69.8 | Low | 79.6 | Confident | 64 Ų | 64 | 57.5 Ų | 57.5 | 66% | 0.66 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | 15.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | H436 C440 | H436-G438 PolarHBondContact O-N 2.79Å; G438-C440 PolarHBondContact O-N 2.9Å |
| 439 | L | 71.8 | Confident | 79.3 | Confident | 13 Ų | 13 | 61.5 Ų | 61.5 | 7% | 0.068 | 33% | 0.334 | C | S | . | . | trans | -81.7 | 119.3 | -177.8 | -62.9 | 169.3 | 0 | 0 | 0 | 111.5 | A434 L437 K443 I444 L447 I457 L460 | A434-L439 HydrophobicContact CB-CB 4.38Å; A434-L439 HydrophobicContact CB-CD1 3.75Å; A434-L439 VanDerWaalsContact O-CB 3.26Å; A434-L439 WeakPolarHBondContact O-CB 3.19Å; A434-L439 PolarHBondContact O-N 2.61Å; L437-L439 VanDerWaalsContact C-N 3.29Å; L437-L439 PolarHBondContact O-N 2.8Å; L439-K443 HydrophobicContact CB-CB 4.19Å; L439-K443 HydrophobicContact CD2-CB 4.12Å; L439-K443 HydrophobicContact CD2-CD 3.65Å; L439-K443 HydrophobicContact CD2-CG 4.5Å; L439-I444 HydrophobicContact CB-CG1 4.06Å; L439-I444 WeakPolarHBondContact O-CD1 3.35Å; L439-L447 HydrophobicContact CD1-CD1 3.78Å; L439-I457 HydrophobicContact CD1-CD1 3.42Å; L439-I457 VanDerWaalsContact CD1-CD1 3.42Å; L439-L460 HydrophobicContact CD1-CD1 4.1Å; L439-L460 HydrophobicContact CD1-CD2 4.13Å; L439-L460 HydrophobicContact CD2-CD1 4.27Å | ||
| 440 | C | 63.5 | Low | 78.7 | Confident | 69 Ų | 69 | 65.3 Ų | 65.3 | 47% | 0.466 | 35% | 0.352 | S | S | . | . | trans | -64.1 | 154 | 173.8 | 65.6 | 0 | 0 | 0 | 0 | 112 | G438 M442 K443 I444 | G438-C440 PolarHBondContact O-N 2.9Å; C440-M442 PolarHBondContact O-N 3.37Å; C440-K443 WeakPolarHBondContact O-CA 3.29Å; C440-K443 WeakPolarHBondContact O-CB 3.45Å; C440-K443 PolarHBondContact O-N 2.95Å; C440-I444 PolarHBondContact O-N 3.38Å; C440-I444 VanDerWaalsContact O-N 3.14Å | ||
| 441 | G | 66.5 | Low | 78.2 | Confident | 48 Ų | 48 | 77.1 Ų | 77.1 | 50% | 0.495 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -55.5 | -23.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | R445 | G441-R445 WeakPolarHBondContact O-CB 3.39Å; G441-R445 VanDerWaalsContact O-CG 3.31Å; G441-R445 WeakPolarHBondContact O-CG 3.21Å; G441-R445 PolarHBondContact O-N 3.19Å |
| 442 | M | 64.8 | Low | 78.1 | Confident | 158 Ų | 158 | 74.3 Ų | 74.3 | 78% | 0.778 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -69.3 | -38.9 | 171.2 | -70 | 178.9 | 71.7 | 0 | 0 | 112.9 | C440 F446 | C440-M442 PolarHBondContact O-N 3.37Å; M442-F446 PolarHBondContact O-N 3.02Å |
| 443 | K | 64.8 | Low | 78.2 | Confident | 101 Ų | 101 | 71 Ų | 71 | 44% | 0.439 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -70.3 | -39.7 | 174.8 | -67.2 | 172.4 | -175.3 | 166.5 | 0 | 110.9 | L439 C440 R445 F446 L447 | L439-K443 HydrophobicContact CB-CB 4.19Å; L439-K443 HydrophobicContact CD2-CB 4.12Å; L439-K443 HydrophobicContact CD2-CD 3.65Å; L439-K443 HydrophobicContact CD2-CG 4.5Å; C440-K443 WeakPolarHBondContact O-CA 3.29Å; C440-K443 WeakPolarHBondContact O-CB 3.45Å; C440-K443 PolarHBondContact O-N 2.95Å; K443-R445 PolarHBondContact O-N 2.79Å; K443-F446 WeakPolarHBondContact O-CB 3.3Å; K443-F446 PolarHBondContact O-N 2.91Å; K443-F446 VanDerWaalsContact O-N 3.14Å; K443-L447 PolarHBondContact O-N 3.31Å |
| 444 | I | 82 | Confident | 78.3 | Confident | 27 Ų | 27 | 71 Ų | 71 | 14% | 0.138 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 173.8 | -58.5 | -179 | 0 | 0 | 0 | 110.6 | W430 R431 A434 L439 C440 F446 L447 S448 | W430-I444 HydrophobicContact CH2-CG2 4.12Å; W430-I444 WeakPolarHBondContact CH2-O 3.38Å; W430-I444 HydrophobicContact CZ3-CG2 3.81Å; W430-I444 WeakPolarHBondContact CZ3-O 3.29Å; R431-I444 HydrophobicContact CB-CG2 4.08Å; R431-I444 HydrophobicContact CG-CG2 3.83Å; A434-I444 HydrophobicContact CB-CD1 4.19Å; A434-I444 HydrophobicContact CB-CG1 3.93Å; L439-I444 HydrophobicContact CB-CG1 4.06Å; L439-I444 WeakPolarHBondContact O-CD1 3.35Å; C440-I444 PolarHBondContact O-N 3.38Å; C440-I444 VanDerWaalsContact O-N 3.14Å; I444-F446 VanDerWaalsContact C-N 3.34Å; I444-F446 PolarHBondContact O-N 2.74Å; I444-L447 PolarHBondContact O-N 3.1Å; I444-S448 PolarHBondContact O-N 2.85Å |
| 445 | R | 81.8 | Confident | 78.4 | Confident | 195 Ų | 195 | 71.5 Ų | 71.5 | 74% | 0.736 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -63.1 | -35 | 173.1 | -75.7 | 174.8 | 177.6 | -177.1 | -0.7 | 113.3 | G441 K443 S448 | G441-R445 WeakPolarHBondContact O-CB 3.39Å; G441-R445 VanDerWaalsContact O-CG 3.31Å; G441-R445 WeakPolarHBondContact O-CG 3.21Å; G441-R445 PolarHBondContact O-N 3.19Å; K443-R445 PolarHBondContact O-N 2.79Å; R445-S448 PolarHBondContact O-N 2.89Å; R445-S448 PolarHBondContact O-OG 2.87Å |
| 446 | F | 75.3 | Confident | 78.5 | Confident | 136 Ų | 136 | 69.5 Ų | 69.5 | 60% | 0.596 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -67.6 | -37.1 | 173.5 | 177.9 | -98.7 | 0 | 0 | 0 | 112.3 | M442 K443 I444 S448 C449 Q450 | M442-F446 PolarHBondContact O-N 3.02Å; K443-F446 WeakPolarHBondContact O-CB 3.3Å; K443-F446 PolarHBondContact O-N 2.91Å; K443-F446 VanDerWaalsContact O-N 3.14Å; I444-F446 VanDerWaalsContact C-N 3.34Å; I444-F446 PolarHBondContact O-N 2.74Å; F446-S448 VanDerWaalsContact C-N 3.32Å; F446-S448 PolarHBondContact O-N 2.84Å; F446-C449 WeakPolarHBondContact O-CB 3.41Å; F446-C449 PolarHBondContact O-N 2.78Å; F446-C449 VanDerWaalsContact O-N 3.12Å; F446-Q450 VanDerWaalsContact CE1-NE2 3.31Å |
| 447 | L | 83.8 | Confident | 79 | Confident | 17 Ų | 17 | 67.3 Ų | 67.3 | 9% | 0.089 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.5 | -34.4 | 175.1 | -74.6 | 173.8 | 0 | 0 | 0 | 112.4 | W430 A434 L439 K443 I444 C449 Q450 P453 A456 I457 | W430-L447 HydrophobicContact CE3-CB 4.32Å; W430-L447 HydrophobicContact CH2-CB 4.22Å; W430-L447 HydrophobicContact CZ3-CB 3.61Å; W430-L447 HydrophobicContact CZ3-CD1 4.47Å; A434-L447 HydrophobicContact CB-CD1 4.39Å; L439-L447 HydrophobicContact CD1-CD1 3.78Å; K443-L447 PolarHBondContact O-N 3.31Å; I444-L447 PolarHBondContact O-N 3.1Å; L447-C449 PolarHBondContact O-N 3.04Å; L447-Q450 HydrophobicContact CD2-CG 4.28Å; L447-Q450 WeakPolarHBondContact O-CB 3.4Å; L447-Q450 WeakPolarHBondContact O-CG 3.42Å; L447-Q450 PolarHBondContact O-N 2.92Å; L447-P453 WeakPolarHBondContact O-CG 3.39Å; L447-A456 HydrophobicContact CD2-CB 3.88Å; L447-I457 HydrophobicContact CD1-CD1 4.07Å |
| 448 | S | 85.4 | Confident | 79.6 | Confident | 70 Ų | 70 | 66.4 Ų | 66.4 | 49% | 0.49 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -6.1 | 173.3 | 51.3 | 0 | 0 | 0 | 0 | 115.3 | I444 R445 F446 | I444-S448 PolarHBondContact O-N 2.85Å; R445-S448 PolarHBondContact O-N 2.89Å; R445-S448 PolarHBondContact O-OG 2.87Å; F446-S448 VanDerWaalsContact C-N 3.32Å; F446-S448 PolarHBondContact O-N 2.84Å |
| 449 | C | 82.4 | Confident | 80.2 | Confident | 102 Ų | 102 | 68.3 Ų | 68.3 | 69% | 0.689 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -1.1 | 171.7 | -59.7 | 0 | 0 | 0 | 0 | 113.3 | F446 L447 | F446-C449 WeakPolarHBondContact O-CB 3.41Å; F446-C449 PolarHBondContact O-N 2.78Å; F446-C449 VanDerWaalsContact O-N 3.12Å; L447-C449 PolarHBondContact O-N 3.04Å |
| 450 | Q | 80.3 | Confident | 80.5 | Confident | 80 Ų | 80 | 68.4 Ų | 68.4 | 37% | 0.374 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -81.8 | 161.7 | 178.7 | -59.6 | -57.2 | -28.3 | 0 | 0 | 111.9 | F446 L447 S452 A456 | F446-Q450 VanDerWaalsContact CE1-NE2 3.31Å; L447-Q450 HydrophobicContact CD2-CG 4.28Å; L447-Q450 WeakPolarHBondContact O-CB 3.4Å; L447-Q450 WeakPolarHBondContact O-CG 3.42Å; L447-Q450 PolarHBondContact O-N 2.92Å; Q450-S452 VanDerWaalsContact C-N 3.29Å; Q450-S452 PolarHBondContact O-N 2.79Å; Q450-A456 HydrophobicContact CB-CB 4.38Å; Q450-A456 HydrophobicContact CG-CB 4.3Å |
| 451 | R | 80.6 | Confident | 81.4 | Confident | 254 Ų | 254 | 65.4 Ų | 65.4 | 96% | 0.958 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -66.4 | -29.5 | -178.3 | -172.2 | 176.9 | 179.1 | -172.6 | -2.1 | 113.5 | ||
| 452 | S | 90.4 | Very high | 82 | Confident | 19 Ų | 19 | 65 Ų | 65 | 13% | 0.133 | 31% | 0.31 | C | S | . | . | trans | -146.3 | 108.4 | 164.3 | 166.2 | 0 | 0 | 0 | 0 | 106.8 | Q417 E421 Q450 A454 A455 A456 | Q417-S452 PolarHBondContact NE2-OG 2.84Å; E421-S452 WeakPolarHBondContact OE2-CA 3.37Å; E421-S452 WeakPolarHBondContact OE2-CB 3.21Å; E421-S452 PolarHBondContact OE2-OG 3.16Å; Q450-S452 VanDerWaalsContact C-N 3.29Å; Q450-S452 PolarHBondContact O-N 2.79Å; S452-A454 PolarHBondContact O-N 3.28Å; S452-A455 PolarHBondContact O-N 3.25Å; S452-A455 PolarHBondContact OG-N 3.13Å; S452-A455 VanDerWaalsContact OG-N 3.13Å; S452-A456 PolarHBondContact O-N 2.83Å | ||
| 453 | P | 90.7 | Very high | 82.1 | Confident | 10 Ų | 10 | 58.9 Ų | 58.9 | 7% | 0.065 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.9 | -24.8 | 175.5 | -22.7 | 36 | 0 | 0 | 0 | 112.6 | E421 W430 L447 I457 | E421-P453 WeakPolarHBondContact OE1-CD 3.32Å; E421-P453 WeakPolarHBondContact OE2-CD 3.47Å; W430-P453 HydrophobicContact CD2-CB 3.43Å; W430-P453 VanDerWaalsContact CD2-CB 3.43Å; W430-P453 VanDerWaalsContact CE2-CB 3.41Å; W430-P453 HydrophobicContact CE3-CB 3.74Å; W430-P453 HydrophobicContact CG-CB 3.93Å; W430-P453 HydrophobicContact CH2-CB 4.05Å; W430-P453 HydrophobicContact CZ2-CB 3.74Å; W430-P453 HydrophobicContact CZ2-CG 4.1Å; W430-P453 HydrophobicContact CZ3-CB 4.05Å; L447-P453 WeakPolarHBondContact O-CG 3.39Å; P453-I457 WeakPolarHBondContact O-CG2 3.35Å; P453-I457 PolarHBondContact O-N 3.44Å |
| 454 | A | 91.4 | Very high | 82.2 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.4 | -46.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q417 L420 E421 W430 S452 A456 I457 L458 | Q417-A454 HydrophobicContact CG-CB 4.04Å; L420-A454 HydrophobicContact CB-CB 3.91Å; E421-A454 HydrophobicContact CB-CB 3.88Å; E421-A454 WeakPolarHBondContact OE2-CB 3.47Å; E421-A454 PolarHBondContact OE2-N 3.5Å; W430-A454 HydrophobicContact CB-CB 4.31Å; S452-A454 PolarHBondContact O-N 3.28Å; A454-A456 PolarHBondContact O-N 3.25Å; A454-I457 WeakPolarHBondContact O-CG2 3.47Å; A454-I457 PolarHBondContact O-N 2.84Å; A454-L458 WeakPolarHBondContact O-CG 3.43Å; A454-L458 PolarHBondContact O-N 2.87Å; A454-L458 VanDerWaalsContact O-N 3.07Å |
| 455 | A | 86.9 | Confident | 81.2 | Confident | 11 Ų | 11 | 57.5 Ų | 57.5 | 9% | 0.091 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.4 | -48.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | F413 Q417 S452 I457 L458 E459 | F413-A455 HydrophobicContact CE1-CB 3.96Å; F413-A455 HydrophobicContact CZ-CB 3.94Å; Q417-A455 HydrophobicContact CG-CB 4.24Å; S452-A455 PolarHBondContact O-N 3.25Å; S452-A455 PolarHBondContact OG-N 3.13Å; S452-A455 VanDerWaalsContact OG-N 3.13Å; A455-I457 PolarHBondContact O-N 3.3Å; A455-I457 VanDerWaalsContact O-N 3.1Å; A455-L458 PolarHBondContact O-N 3.47Å; A455-E459 WeakPolarHBondContact O-CB 3.23Å; A455-E459 WeakPolarHBondContact O-CG 3.36Å; A455-E459 PolarHBondContact O-N 3.34Å |
| 456 | A | 81.9 | Confident | 80.6 | Confident | 20 Ų | 20 | 48.8 Ų | 48.8 | 17% | 0.165 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.2 | -19.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L447 Q450 S452 A454 L460 | L447-A456 HydrophobicContact CD2-CB 3.88Å; Q450-A456 HydrophobicContact CB-CB 4.38Å; Q450-A456 HydrophobicContact CG-CB 4.3Å; S452-A456 PolarHBondContact O-N 2.83Å; A454-A456 PolarHBondContact O-N 3.25Å; A456-L460 WeakPolarHBondContact O-CB 3.32Å |
| 457 | I | 88.9 | Confident | 80.6 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -92.3 | -29 | 172.5 | -164.8 | 66.3 | 0 | 0 | 0 | 113.3 | W430 L433 A434 L437 L439 L447 P453 A454 A455 L460 F461 | W430-I457 HydrophobicContact CB-CG2 3.84Å; L433-I457 HydrophobicContact CB-CG1 4.41Å; L433-I457 HydrophobicContact CD2-CG1 3.94Å; L433-I457 HydrophobicContact CD2-CG2 3.83Å; L433-I457 HydrophobicContact CG-CG1 3.95Å; A434-I457 HydrophobicContact CB-CD1 3.62Å; A434-I457 HydrophobicContact CB-CG1 4.05Å; L437-I457 HydrophobicContact CD1-CD1 4.07Å; L437-I457 HydrophobicContact CD1-CG1 4.17Å; L439-I457 HydrophobicContact CD1-CD1 3.42Å; L439-I457 VanDerWaalsContact CD1-CD1 3.42Å; L447-I457 HydrophobicContact CD1-CD1 4.07Å; P453-I457 WeakPolarHBondContact O-CG2 3.35Å; P453-I457 PolarHBondContact O-N 3.44Å; A454-I457 WeakPolarHBondContact O-CG2 3.47Å; A454-I457 PolarHBondContact O-N 2.84Å; A455-I457 PolarHBondContact O-N 3.3Å; A455-I457 VanDerWaalsContact O-N 3.1Å; I457-L460 HydrophobicContact CD1-CB 4.39Å; I457-L460 HydrophobicContact CD1-CD2 3.89Å; I457-L460 PolarHBondContact O-N 2.74Å; I457-F461 PolarHBondContact O-N 2.96Å |
| 458 | L | 88 | Confident | 80.4 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.6 | -43.9 | 171.9 | -68.3 | 171.3 | 0 | 0 | 0 | 111 | L408 F413 L416 Q417 L420 L433 A454 A455 L460 F461 E462 L471 | L408-L458 HydrophobicContact CD1-CB 3.96Å; L408-L458 HydrophobicContact CD1-CD2 3.91Å; L408-L458 HydrophobicContact CD1-CG 4.36Å; F413-L458 HydrophobicContact CD2-CB 4.1Å; F413-L458 HydrophobicContact CE2-CB 3.57Å; F413-L458 HydrophobicContact CZ-CB 4Å; L416-L458 HydrophobicContact CB-CD1 3.81Å; L416-L458 HydrophobicContact CB-CD2 4.33Å; Q417-L458 HydrophobicContact CB-CD1 4.18Å; L420-L458 HydrophobicContact CD1-CD1 4.39Å; L420-L458 HydrophobicContact CD1-CD2 3.98Å; L420-L458 HydrophobicContact CD1-CG 4.33Å; L433-L458 HydrophobicContact CD2-CD2 4.26Å; A454-L458 WeakPolarHBondContact O-CG 3.43Å; A454-L458 PolarHBondContact O-N 2.87Å; A454-L458 VanDerWaalsContact O-N 3.07Å; A455-L458 PolarHBondContact O-N 3.47Å; L458-L460 PolarHBondContact O-N 2.97Å; L458-F461 WeakPolarHBondContact O-CA 3.34Å; L458-F461 VanDerWaalsContact O-CB 3.32Å; L458-F461 WeakPolarHBondContact O-CB 3.34Å; L458-F461 PolarHBondContact O-N 3.45Å; L458-E462 PolarHBondContact O-N 3.06Å; L458-L471 HydrophobicContact CD2-CD2 4.23Å |
| 459 | E | 82.6 | Confident | 80.2 | Confident | 105 Ų | 105 | 43.8 Ų | 43.8 | 49% | 0.491 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -53.8 | -42.8 | 168.1 | -72.2 | 169.7 | -152.5 | 0 | 0 | 111.3 | F413 A455 F461 E462 E463 | F413-E459 HydrophobicContact CE2-CG 4.26Å; F413-E459 HydrophobicContact CZ-CG 4.09Å; A455-E459 WeakPolarHBondContact O-CB 3.23Å; A455-E459 WeakPolarHBondContact O-CG 3.36Å; A455-E459 PolarHBondContact O-N 3.34Å; E459-F461 VanDerWaalsContact C-N 3.29Å; E459-F461 PolarHBondContact O-N 3.1Å; E459-E462 PolarHBondContact O-N 3.3Å; E459-E463 WeakPolarHBondContact O-CG 3.41Å; E459-E463 PolarHBondContact O-N 3.18Å |
| 460 | L | 78.6 | Confident | 80.1 | Confident | 15 Ų | 15 | 43 Ų | 43 | 8% | 0.079 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70.5 | -23.9 | 178.5 | -175.1 | 146.5 | 0 | 0 | 0 | 113 | L437 L439 A456 I457 L458 Q464 | L437-L460 HydrophobicContact CB-CD2 4.25Å; L437-L460 HydrophobicContact CD1-CD2 4.03Å; L439-L460 HydrophobicContact CD1-CD1 4.1Å; L439-L460 HydrophobicContact CD1-CD2 4.13Å; L439-L460 HydrophobicContact CD2-CD1 4.27Å; A456-L460 WeakPolarHBondContact O-CB 3.32Å; I457-L460 HydrophobicContact CD1-CB 4.39Å; I457-L460 HydrophobicContact CD1-CD2 3.89Å; I457-L460 PolarHBondContact O-N 2.74Å; L458-L460 PolarHBondContact O-N 2.97Å; L460-Q464 WeakPolarHBondContact O-CG 3.38Å; L460-Q464 PolarHBondContact O-N 3.16Å |
| 461 | F | 82.5 | Confident | 80.3 | Confident | 5 Ų | 5 | 39.1 Ų | 39.1 | 2% | 0.022 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -72.7 | -42.5 | 170.2 | -179.5 | -98.4 | 0 | 0 | 0 | 111.2 | L437 I457 L458 E459 Q464 N465 G466 S467 E470 L471 L474 | L437-F461 HydrophobicContact CD1-CB 4Å; L437-F461 HydrophobicContact CD1-CD2 4.07Å; L437-F461 HydrophobicContact CD2-CD2 3.88Å; L437-F461 HydrophobicContact CD2-CE2 4.42Å; I457-F461 PolarHBondContact O-N 2.96Å; L458-F461 WeakPolarHBondContact O-CA 3.34Å; L458-F461 VanDerWaalsContact O-CB 3.32Å; L458-F461 WeakPolarHBondContact O-CB 3.34Å; L458-F461 PolarHBondContact O-N 3.45Å; E459-F461 VanDerWaalsContact C-N 3.29Å; E459-F461 PolarHBondContact O-N 3.1Å; F461-Q464 CarbonylContact O-C 3.58Å; F461-Q464 PolarHBondContact O-N 3.01Å; F461-N465 PolarHBondContact O-N 3.18Å; F461-G466 VanDerWaalsContact CE1-O 3.3Å; F461-G466 WeakPolarHBondContact CE1-O 3.44Å; F461-G466 VanDerWaalsContact CZ-C 3.47Å; F461-G466 VanDerWaalsContact CZ-CA 3.42Å; F461-G466 PolarHBondContact O-N 3.46Å; F461-G466 VanDerWaalsContact O-N 3.09Å; F461-S467 WeakPolarHBondContact CZ-O 3.24Å; F461-E470 HydrophobicContact CE2-CG 4.28Å; F461-E470 HydrophobicContact CZ-CB 4.25Å; F461-E470 HydrophobicContact CZ-CG 4.42Å; F461-L471 HydrophobicContact CD1-CB 4.49Å; F461-L471 HydrophobicContact CD1-CD1 4.09Å; F461-L471 HydrophobicContact CD1-CD2 4.2Å; F461-L471 HydrophobicContact CD2-CD1 4.01Å; F461-L471 HydrophobicContact CE1-CB 3.68Å; F461-L471 HydrophobicContact CE1-CD1 4.04Å; F461-L471 HydrophobicContact CE1-CD2 4.09Å; F461-L471 HydrophobicContact CE1-CG 4.15Å; F461-L471 HydrophobicContact CE2-CB 4.32Å; F461-L471 HydrophobicContact CE2-CD1 3.94Å; F461-L471 HydrophobicContact CG-CD1 4.07Å; F461-L471 HydrophobicContact CZ-CB 3.56Å; F461-L471 HydrophobicContact CZ-CD1 3.95Å; F461-L471 HydrophobicContact CZ-CG 4.24Å; F461-L474 HydrophobicContact CD2-CD1 4.43Å; F461-L474 HydrophobicContact CE2-CD1 3.93Å |
| 462 | E | 79.4 | Confident | 80.6 | Confident | 39 Ų | 39 | 29.4 Ų | 29.4 | 18% | 0.182 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.6 | -41.1 | 170.6 | -60.1 | -174.1 | 138.3 | 0 | 0 | 111.5 | F341 R407 L408 L458 E459 Q464 N465 | F341-E462 WeakPolarHBondContact CE1-O 3.36Å; F341-E462 WeakPolarHBondContact CZ-O 3.21Å; R407-E462 VanDerWaalsContact CA-OE1 3.29Å; R407-E462 WeakPolarHBondContact CA-OE1 3.48Å; R407-E462 WeakPolarHBondContact CG-OE1 3.27Å; L408-E462 HydrophobicContact CD1-CG 4.5Å; L408-E462 HydrophobicContact CG-CG 4.36Å; L408-E462 PolarHBondContact N-OE1 2.64Å; L458-E462 PolarHBondContact O-N 3.06Å; E459-E462 PolarHBondContact O-N 3.3Å; E462-Q464 PolarHBondContact O-N 3.06Å; E462-N465 WeakPolarHBondContact O-CA 3.46Å; E462-N465 PolarHBondContact O-N 2.86Å |
| 463 | E | 67.4 | Low | 80.3 | Confident | 30 Ų | 30 | 35 Ų | 35 | 14% | 0.14 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.4 | -33.5 | 173 | -73.3 | -161.1 | 158.8 | 0 | 0 | 112.9 | H333 F341 R342 E459 N465 | H333-E463 IonicContact CE1-OE2 3.9Å; H333-E463 PolarHBondContact CE1-OE2 2.87Å; H333-E463 IonicContact ND1-OE1 2.9Å; H333-E463 IonicContact ND1-OE2 3.67Å; H333-E463 PolarHBondContact ND1-OE2 2.88Å; F341-E463 WeakPolarHBondContact CE1-O 3.43Å; R342-E463 IonicContact CZ-OE1 2.89Å; R342-E463 IonicContact NH1-OE1 2.89Å; R342-E463 PolarHBondContact NH1-OE1 3.05Å; R342-E463 IonicContact NH2-OE1 3.55Å; R342-E463 PolarHBondContact NH2-OE1 2.7Å; E459-E463 WeakPolarHBondContact O-CG 3.41Å; E459-E463 PolarHBondContact O-N 3.18Å; E463-N465 PolarHBondContact O-N 3.22Å |
| 464 | Q | 65 | Low | 80.2 | Confident | 90 Ų | 90 | 35.2 Ų | 35.2 | 42% | 0.421 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 5.3 | 175.9 | -71.7 | -175.1 | 33.4 | 0 | 0 | 112.6 | L460 F461 E462 G466 | L460-Q464 WeakPolarHBondContact O-CG 3.38Å; L460-Q464 PolarHBondContact O-N 3.16Å; F461-Q464 CarbonylContact O-C 3.58Å; F461-Q464 PolarHBondContact O-N 3.01Å; E462-Q464 PolarHBondContact O-N 3.06Å; Q464-G466 PolarHBondContact O-N 2.8Å |
| 465 | N | 62.4 | Low | 80.2 | Confident | 9 Ų | 9 | 35.2 Ų | 35.2 | 5% | 0.048 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 30.7 | 177.8 | -153.3 | 49.9 | 0 | 0 | 0 | 113.1 | N283 H287 F341 N406 F461 E462 E463 | N283-N465 WeakPolarHBondContact ND2-CB 3.39Å; N283-N465 VanDerWaalsContact ND2-CG 3.34Å; N283-N465 PolarHBondContact ND2-ND2 2.9Å; N283-N465 PolarHBondContact O-ND2 2.84Å; N283-N465 PolarHBondContact OD1-ND2 2.87Å; H287-N465 PolarHBondContact CE1-ND2 3.1Å; H287-N465 PolarHBondContact ND1-ND2 2.85Å; F341-N465 HydrophobicContact CE1-CB 3.86Å; F341-N465 HydrophobicContact CZ-CB 4.23Å; F341-N465 WeakPolarHBondContact CZ-OD1 3.42Å; N406-N465 PolarHBondContact ND2-ND2 2.05Å; N406-N465 PolarHBondContact ND2-OD1 3.01Å; F461-N465 PolarHBondContact O-N 3.18Å; E462-N465 WeakPolarHBondContact O-CA 3.46Å; E462-N465 PolarHBondContact O-N 2.86Å; E463-N465 PolarHBondContact O-N 3.22Å |
| 466 | G | 68.1 | Low | 80.3 | Confident | 12 Ų | 12 | 37.4 Ų | 37.4 | 12% | 0.124 | 18% | 0.184 | C | C | . | . | trans | -69.6 | 138.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F461 Q464 | F461-G466 VanDerWaalsContact CE1-O 3.3Å; F461-G466 WeakPolarHBondContact CE1-O 3.44Å; F461-G466 VanDerWaalsContact CZ-C 3.47Å; F461-G466 VanDerWaalsContact CZ-CA 3.42Å; F461-G466 PolarHBondContact O-N 3.46Å; F461-G466 VanDerWaalsContact O-N 3.09Å; Q464-G466 PolarHBondContact O-N 2.8Å | ||
| 467 | S | 75.7 | Confident | 80.7 | Confident | 25 Ų | 25 | 39.1 Ų | 39.1 | 18% | 0.175 | 19% | 0.193 | C | C | . | . | trans | -85.7 | 157.9 | 179.2 | 68.8 | 0 | 0 | 0 | 0 | 112.3 | F461 Q469 E470 L471 | F461-S467 WeakPolarHBondContact CZ-O 3.24Å; S467-Q469 PolarHBondContact O-N 3.2Å; S467-Q469 PolarHBondContact OG-OE1 2.98Å; S467-E470 PolarHBondContact O-N 3.07Å; S467-E470 VanDerWaalsContact O-N 3.1Å; S467-E470 PolarHBondContact OG-N 3.13Å; S467-E470 VanDerWaalsContact OG-N 3.14Å; S467-L471 PolarHBondContact O-N 3.09Å | ||
| 468 | L | 80.6 | Confident | 80.8 | Confident | 7 Ų | 7 | 39.1 Ų | 39.1 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.8 | -33.3 | 172.3 | -73.1 | 169.5 | 0 | 0 | 0 | 112.9 | L408 L412 L471 H472 I487 Y490 L491 | L408-L468 HydrophobicContact CD2-CD2 3.62Å; L412-L468 HydrophobicContact CD2-CD2 3.68Å; L468-L471 PolarHBondContact O-N 3.34Å; L468-H472 WeakPolarHBondContact O-CB 3.38Å; L468-H472 PolarHBondContact O-N 3.48Å; L468-I487 HydrophobicContact CB-CG2 4.33Å; L468-I487 HydrophobicContact CD2-CG2 4.27Å; L468-I487 WeakPolarHBondContact O-CG2 3.38Å; L468-Y490 HydrophobicContact CD1-CD1 3.98Å; L468-Y490 HydrophobicContact CD1-CE1 3.9Å; L468-L491 HydrophobicContact CB-CD1 4.32Å; L468-L491 HydrophobicContact CB-CD2 3.89Å; L468-L491 HydrophobicContact CB-CG 4.34Å; L468-L491 HydrophobicContact CD1-CD2 3.97Å |
| 469 | Q | 79.4 | Confident | 80.8 | Confident | 87 Ų | 87 | 45.7 Ų | 45.7 | 41% | 0.407 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68.5 | -40.5 | 175.5 | -60.9 | 86.6 | -11.3 | 0 | 0 | 112.1 | S467 H472 Y473 | S467-Q469 PolarHBondContact O-N 3.2Å; S467-Q469 PolarHBondContact OG-OE1 2.98Å; Q469-H472 PolarHBondContact O-N 3.22Å; Q469-Y473 WeakPolarHBondContact O-CB 3.45Å; Q469-Y473 PolarHBondContact O-N 3.13Å |
| 470 | E | 80.6 | Confident | 81.2 | Confident | 84 Ų | 84 | 42.2 Ų | 42.2 | 39% | 0.393 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.3 | -41.5 | 174.7 | -176.4 | 58.7 | -149.5 | 0 | 0 | 110.6 | F461 S467 H472 Y473 L474 | F461-E470 HydrophobicContact CE2-CG 4.28Å; F461-E470 HydrophobicContact CZ-CB 4.25Å; F461-E470 HydrophobicContact CZ-CG 4.42Å; S467-E470 PolarHBondContact O-N 3.07Å; S467-E470 VanDerWaalsContact O-N 3.1Å; S467-E470 PolarHBondContact OG-N 3.13Å; S467-E470 VanDerWaalsContact OG-N 3.14Å; E470-H472 PolarHBondContact O-N 2.92Å; E470-Y473 WeakPolarHBondContact O-CB 3.47Å; E470-Y473 PolarHBondContact O-N 3.38Å; E470-L474 HydrophobicContact CG-CD1 4.3Å; E470-L474 HydrophobicContact CG-CG 4.46Å; E470-L474 WeakPolarHBondContact O-CG 3.31Å; E470-L474 PolarHBondContact O-N 3.25Å |
| 471 | L | 85.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.1 | -42.1 | 176.5 | -161.3 | 59.7 | 0 | 0 | 0 | 111.6 | L408 L416 L433 L458 F461 S467 L468 Y473 L474 M475 I487 | L408-L471 HydrophobicContact CD1-CD2 4.27Å; L408-L471 HydrophobicContact CD2-CD2 3.71Å; L416-L471 HydrophobicContact CD1-CD2 3.76Å; L433-L471 HydrophobicContact CD1-CD1 4.18Å; L458-L471 HydrophobicContact CD2-CD2 4.23Å; F461-L471 HydrophobicContact CD1-CB 4.49Å; F461-L471 HydrophobicContact CD1-CD1 4.09Å; F461-L471 HydrophobicContact CD1-CD2 4.2Å; F461-L471 HydrophobicContact CD2-CD1 4.01Å; F461-L471 HydrophobicContact CE1-CB 3.68Å; F461-L471 HydrophobicContact CE1-CD1 4.04Å; F461-L471 HydrophobicContact CE1-CD2 4.09Å; F461-L471 HydrophobicContact CE1-CG 4.15Å; F461-L471 HydrophobicContact CE2-CB 4.32Å; F461-L471 HydrophobicContact CE2-CD1 3.94Å; F461-L471 HydrophobicContact CG-CD1 4.07Å; F461-L471 HydrophobicContact CZ-CB 3.56Å; F461-L471 HydrophobicContact CZ-CD1 3.95Å; F461-L471 HydrophobicContact CZ-CG 4.24Å; S467-L471 PolarHBondContact O-N 3.09Å; L468-L471 PolarHBondContact O-N 3.34Å; L471-Y473 VanDerWaalsContact C-N 3.31Å; L471-Y473 PolarHBondContact O-N 3.01Å; L471-L474 PolarHBondContact O-N 3.07Å; L471-M475 HydrophobicContact CD1-CE 3.68Å; L471-M475 HydrophobicContact CG-CE 4.07Å; L471-M475 WeakPolarHBondContact O-CB 3.39Å; L471-M475 WeakPolarHBondContact O-CG 3.38Å; L471-M475 PolarHBondContact O-N 2.7Å; L471-I487 HydrophobicContact CB-CD1 4.03Å; L471-I487 HydrophobicContact CD2-CD1 4Å; L471-I487 HydrophobicContact CG-CD1 3.75Å |
| 472 | H | 86.6 | Confident | 82.2 | Confident | 50 Ų | 50 | 50.1 Ų | 50.1 | 23% | 0.231 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.4 | -44.7 | 172.9 | 176.8 | -81.2 | 0 | 0 | 0 | 111.7 | L468 Q469 E470 M475 T476 A484 I487 | L468-H472 WeakPolarHBondContact O-CB 3.38Å; L468-H472 PolarHBondContact O-N 3.48Å; Q469-H472 PolarHBondContact O-N 3.22Å; E470-H472 PolarHBondContact O-N 2.92Å; H472-M475 PolarHBondContact O-N 2.87Å; H472-T476 PolarHBondContact CE1-OG1 2.88Å; H472-T476 WeakPolarHBondContact O-CB 3.46Å; H472-T476 PolarHBondContact O-N 2.84Å; H472-T476 PolarHBondContact O-OG1 2.92Å; H472-A484 PolarHBondContact CD2-O 2.9Å; H472-A484 VanDerWaalsContact CD2-O 3.28Å; H472-I487 HydrophobicContact CB-CB 4.38Å; H472-I487 HydrophobicContact CB-CG2 3.88Å |
| 473 | Y | 84.1 | Confident | 82.8 | Confident | 137 Ų | 137 | 48.3 Ų | 48.3 | 54% | 0.537 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.2 | -49.4 | 176 | 174.8 | -110.8 | 0 | 0 | 0 | 111.7 | Q469 E470 L471 M475 T476 V477 | Q469-Y473 WeakPolarHBondContact O-CB 3.45Å; Q469-Y473 PolarHBondContact O-N 3.13Å; E470-Y473 WeakPolarHBondContact O-CB 3.47Å; E470-Y473 PolarHBondContact O-N 3.38Å; L471-Y473 VanDerWaalsContact C-N 3.31Å; L471-Y473 PolarHBondContact O-N 3.01Å; Y473-M475 PolarHBondContact O-N 2.93Å; Y473-T476 WeakPolarHBondContact O-CB 3.43Å; Y473-T476 PolarHBondContact O-N 3.47Å; Y473-T476 VanDerWaalsContact O-N 3.13Å; Y473-V477 HydrophobicContact CD1-CG2 4.42Å; Y473-V477 HydrophobicContact CD2-CG2 4Å; Y473-V477 HydrophobicContact CE1-CG2 4.02Å; Y473-V477 HydrophobicContact CE2-CG2 3.57Å; Y473-V477 HydrophobicContact CG-CG2 4.41Å; Y473-V477 WeakPolarHBondContact O-CG2 3.4Å; Y473-V477 PolarHBondContact O-N 3.08Å |
| 474 | L | 87.6 | Confident | 83.9 | Confident | 13 Ų | 13 | 47.1 Ų | 47.1 | 7% | 0.068 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.7 | -42.2 | 176.9 | -68.8 | 176.7 | 0 | 0 | 0 | 112.6 | L433 H436 L437 F461 E470 L471 T476 V477 M478 | L433-L474 HydrophobicContact CD1-CB 4.48Å; L433-L474 HydrophobicContact CD1-CD1 4.18Å; H436-L474 HydrophobicContact CB-CD2 3.97Å; L437-L474 HydrophobicContact CD2-CD1 3.8Å; F461-L474 HydrophobicContact CD2-CD1 4.43Å; F461-L474 HydrophobicContact CE2-CD1 3.93Å; E470-L474 HydrophobicContact CG-CD1 4.3Å; E470-L474 HydrophobicContact CG-CG 4.46Å; E470-L474 WeakPolarHBondContact O-CG 3.31Å; E470-L474 PolarHBondContact O-N 3.25Å; L471-L474 PolarHBondContact O-N 3.07Å; L474-T476 VanDerWaalsContact C-N 3.33Å; L474-T476 PolarHBondContact O-N 3.44Å; L474-V477 PolarHBondContact O-N 2.86Å; L474-M478 HydrophobicContact CB-CE 4.43Å; L474-M478 WeakPolarHBondContact O-CE 3.32Å; L474-M478 WeakPolarHBondContact O-CG 3.32Å; L474-M478 PolarHBondContact O-N 2.99Å |
| 475 | M | 91.6 | Very high | 85 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.5 | -39.2 | 175.2 | -67.4 | -57.7 | 158.2 | 0 | 0 | 111.9 | L420 L433 L471 H472 Y473 M478 E479 R480 C483 A484 I487 | L420-M475 HydrophobicContact CD1-CE 3.68Å; L420-M475 HydrophobicContact CD2-CE 4.18Å; L420-M475 HydrophobicContact CD2-SD 4.13Å; L420-M475 HydrophobicContact CG-CE 4.49Å; L433-M475 HydrophobicContact CD1-CE 4.22Å; L433-M475 HydrophobicContact CD2-CE 4Å; L471-M475 HydrophobicContact CD1-CE 3.68Å; L471-M475 HydrophobicContact CG-CE 4.07Å; L471-M475 WeakPolarHBondContact O-CB 3.39Å; L471-M475 WeakPolarHBondContact O-CG 3.38Å; L471-M475 PolarHBondContact O-N 2.7Å; H472-M475 PolarHBondContact O-N 2.87Å; Y473-M475 PolarHBondContact O-N 2.93Å; M475-M478 HydrophobicContact CE-CE 4.08Å; M475-M478 WeakPolarHBondContact O-CG 3.28Å; M475-M478 HydrophobicContact SD-CE 3.7Å; M475-M478 HydrophobicContact SD-SD 3.88Å; M475-E479 PolarHBondContact O-N 2.96Å; M475-R480 CarbonylContact O-C 3.53Å; M475-R480 PolarHBondContact O-N 2.82Å; M475-R480 HydrophobicContact SD-CB 4.31Å; M475-C483 HydrophobicContact CB-CB 3.99Å; M475-C483 HydrophobicContact CE-CB 4.5Å; M475-C483 HydrophobicContact CG-CB 3.56Å; M475-C483 HydrophobicContact SD-CB 3.36Å; M475-C483 WeakPolarHBondContact SD-CB 3.46Å; M475-A484 HydrophobicContact CB-CB 3.89Å; M475-I487 HydrophobicContact CG-CD1 3.84Å |
| 476 | T | 89 | Confident | 86.2 | Confident | 57 Ų | 57 | 45.2 Ų | 45.2 | 35% | 0.35 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.9 | -44.5 | 174.9 | -54.5 | 0 | 0 | 0 | 0 | 111.7 | H472 Y473 L474 M478 E479 | H472-T476 PolarHBondContact CE1-OG1 2.88Å; H472-T476 WeakPolarHBondContact O-CB 3.46Å; H472-T476 PolarHBondContact O-N 2.84Å; H472-T476 PolarHBondContact O-OG1 2.92Å; Y473-T476 WeakPolarHBondContact O-CB 3.43Å; Y473-T476 PolarHBondContact O-N 3.47Å; Y473-T476 VanDerWaalsContact O-N 3.13Å; L474-T476 VanDerWaalsContact C-N 3.33Å; L474-T476 PolarHBondContact O-N 3.44Å; T476-M478 VanDerWaalsContact C-N 3.34Å; T476-M478 PolarHBondContact O-N 3.35Å; T476-E479 PolarHBondContact O-N 3.25Å |
| 477 | V | 89.8 | Confident | 87.1 | Confident | 57 Ų | 57 | 44.7 Ų | 44.7 | 35% | 0.345 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68.3 | -30.3 | -179.8 | 170.9 | 0 | 0 | 0 | 0 | 112.6 | Y473 L474 E479 | Y473-V477 HydrophobicContact CD1-CG2 4.42Å; Y473-V477 HydrophobicContact CD2-CG2 4Å; Y473-V477 HydrophobicContact CE1-CG2 4.02Å; Y473-V477 HydrophobicContact CE2-CG2 3.57Å; Y473-V477 HydrophobicContact CG-CG2 4.41Å; Y473-V477 WeakPolarHBondContact O-CG2 3.4Å; Y473-V477 PolarHBondContact O-N 3.08Å; L474-V477 PolarHBondContact O-N 2.86Å; V477-E479 VanDerWaalsContact C-N 3.28Å |
| 478 | M | 91.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 5.2 | 169.8 | 76.6 | 177.4 | 84.2 | 0 | 0 | 113.9 | N428 R432 L433 L474 M475 T476 R480 | N428-M478 VanDerWaalsContact CG-O 3.28Å; N428-M478 PolarHBondContact ND2-O 2.8Å; N428-M478 PolarHBondContact OD1-O 3.09Å; R432-M478 HydrophobicContact CG-CB 3.94Å; L433-M478 HydrophobicContact CB-CE 3.88Å; L433-M478 HydrophobicContact CD1-CE 3.84Å; L433-M478 HydrophobicContact CG-CE 4.43Å; L474-M478 HydrophobicContact CB-CE 4.43Å; L474-M478 WeakPolarHBondContact O-CE 3.32Å; L474-M478 WeakPolarHBondContact O-CG 3.32Å; L474-M478 PolarHBondContact O-N 2.99Å; M475-M478 HydrophobicContact CE-CE 4.08Å; M475-M478 WeakPolarHBondContact O-CG 3.28Å; M475-M478 HydrophobicContact SD-CE 3.7Å; M475-M478 HydrophobicContact SD-SD 3.88Å; T476-M478 VanDerWaalsContact C-N 3.34Å; T476-M478 PolarHBondContact O-N 3.35Å; M478-R480 HydrophobicContact CG-CB 3.78Å; M478-R480 HydrophobicContact CG-CG 3.65Å; M478-R480 PolarHBondContact O-N 3.45Å; M478-R480 HydrophobicContact SD-CB 4.13Å; M478-R480 HydrophobicContact SD-CG 3.75Å |
| 479 | E | 88.7 | Confident | 87.7 | Confident | 138 Ų | 138 | 51.2 Ų | 51.2 | 65% | 0.645 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 18.2 | 179.9 | -53.7 | 165.1 | 144.6 | 0 | 0 | 113.9 | R432 M475 T476 V477 L481 | R432-E479 IonicContact NH2-OE2 2.71Å; M475-E479 PolarHBondContact O-N 2.96Å; T476-E479 PolarHBondContact O-N 3.25Å; V477-E479 VanDerWaalsContact C-N 3.28Å; E479-L481 PolarHBondContact O-N 2.7Å |
| 480 | R | 91.7 | Very high | 87.7 | Confident | 32 Ų | 32 | 51.2 Ų | 51.2 | 12% | 0.121 | 25% | 0.254 | C | S | . | . | trans | -85 | 68.1 | 171.5 | -70 | -59.7 | -56.8 | -93.2 | -2.1 | 110.1 | L419 N428 M475 M478 D482 C483 A484 | L419-R480 PolarHBondContact O-NH1 3.43Å; L419-R480 PolarHBondContact O-NH2 3.18Å; N428-R480 PolarHBondContact O-NH1 2.78Å; N428-R480 VanDerWaalsContact O-NH1 3.08Å; M475-R480 CarbonylContact O-C 3.53Å; M475-R480 PolarHBondContact O-N 2.82Å; M475-R480 HydrophobicContact SD-CB 4.31Å; M478-R480 HydrophobicContact CG-CB 3.78Å; M478-R480 HydrophobicContact CG-CG 3.65Å; M478-R480 PolarHBondContact O-N 3.45Å; M478-R480 HydrophobicContact SD-CB 4.13Å; M478-R480 HydrophobicContact SD-CG 3.75Å; R480-D482 VanDerWaalsContact C-OD1 3.22Å; R480-D482 WeakPolarHBondContact CA-OD1 3.45Å; R480-D482 IonicContact CZ-OD1 2.8Å; R480-D482 IonicContact CZ-OD2 2.79Å; R480-D482 IonicContact NE-OD1 2.64Å; R480-D482 PolarHBondContact NE-OD1 2.9Å; R480-D482 IonicContact NE-OD2 3.93Å; R480-D482 PolarHBondContact NE-OD2 2.8Å; R480-D482 IonicContact NH2-OD1 3.16Å; R480-D482 IonicContact NH2-OD2 3.78Å; R480-D482 PolarHBondContact NH2-OD2 3.5Å; R480-D482 PolarHBondContact O-N 3.28Å; R480-C483 HydrophobicContact CB-CB 4.15Å; R480-C483 PolarHBondContact O-N 3.21Å; R480-C483 VanDerWaalsContact O-N 3.13Å; R480-A484 PolarHBondContact O-N 3.34Å | ||
| 481 | L | 91.3 | Very high | 87.5 | Confident | 117 Ų | 117 | 50.5 Ų | 50.5 | 61% | 0.613 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -63.5 | -22.2 | -178.3 | -58.4 | -177.7 | 0 | 0 | 0 | 113.1 | E479 S485 | E479-L481 PolarHBondContact O-N 2.7Å; L481-S485 WeakPolarHBondContact O-CB 3.49Å; L481-S485 PolarHBondContact O-N 2.79Å |
| 482 | D | 91 | Very high | 87 | Confident | 69 Ų | 69 | 53.9 Ų | 53.9 | 37% | 0.369 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.4 | -49.5 | 170.4 | 57 | -28 | 0 | 0 | 0 | 111.9 | R480 S485 A486 | R480-D482 VanDerWaalsContact C-OD1 3.22Å; R480-D482 WeakPolarHBondContact CA-OD1 3.45Å; R480-D482 IonicContact CZ-OD1 2.8Å; R480-D482 IonicContact CZ-OD2 2.79Å; R480-D482 IonicContact NE-OD1 2.64Å; R480-D482 PolarHBondContact NE-OD1 2.9Å; R480-D482 IonicContact NE-OD2 3.93Å; R480-D482 PolarHBondContact NE-OD2 2.8Å; R480-D482 IonicContact NH2-OD1 3.16Å; R480-D482 IonicContact NH2-OD2 3.78Å; R480-D482 PolarHBondContact NH2-OD2 3.5Å; R480-D482 PolarHBondContact O-N 3.28Å; D482-S485 PolarHBondContact O-N 3.01Å; D482-A486 PolarHBondContact O-N 3.39Å; D482-A486 VanDerWaalsContact O-N 3.07Å |
| 483 | C | 91.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.5 | -41.5 | 173.4 | -62.8 | 0 | 0 | 0 | 0 | 111.8 | L416 L419 M475 R480 A486 I487 | L416-C483 HydrophobicContact CD2-CB 3.65Å; L419-C483 VanDerWaalsContact CB-SG 3.55Å; M475-C483 HydrophobicContact CB-CB 3.99Å; M475-C483 HydrophobicContact CE-CB 4.5Å; M475-C483 HydrophobicContact CG-CB 3.56Å; M475-C483 HydrophobicContact SD-CB 3.36Å; M475-C483 WeakPolarHBondContact SD-CB 3.46Å; R480-C483 HydrophobicContact CB-CB 4.15Å; R480-C483 PolarHBondContact O-N 3.21Å; R480-C483 VanDerWaalsContact O-N 3.13Å; C483-A486 PolarHBondContact O-N 2.95Å; C483-I487 WeakPolarHBondContact O-CD1 3.4Å; C483-I487 WeakPolarHBondContact O-CG1 3.36Å; C483-I487 PolarHBondContact O-N 2.88Å |
| 484 | A | 90 | Very high | 83.8 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 4% | 0.041 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62 | -44.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | H472 M475 R480 A486 I487 Q488 | H472-A484 PolarHBondContact CD2-O 2.9Å; H472-A484 VanDerWaalsContact CD2-O 3.28Å; M475-A484 HydrophobicContact CB-CB 3.89Å; R480-A484 PolarHBondContact O-N 3.34Å; A484-A486 PolarHBondContact O-N 3.22Å; A484-I487 PolarHBondContact O-N 3.06Å; A484-Q488 WeakPolarHBondContact O-CB 3.38Å; A484-Q488 PolarHBondContact O-N 3.23Å |
| 485 | S | 88.7 | Confident | 81.8 | Confident | 56 Ų | 56 | 58.9 Ų | 58.9 | 39% | 0.392 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 176.3 | -179.3 | 0 | 0 | 0 | 0 | 112.4 | L481 D482 I487 Q488 N489 | L481-S485 WeakPolarHBondContact O-CB 3.49Å; L481-S485 PolarHBondContact O-N 2.79Å; D482-S485 PolarHBondContact O-N 3.01Å; S485-I487 PolarHBondContact O-N 2.99Å; S485-Q488 PolarHBondContact O-N 3.2Å; S485-N489 WeakPolarHBondContact O-CB 3.45Å; S485-N489 PolarHBondContact O-N 3.29Å; S485-N489 PolarHBondContact O-ND2 3.04Å; S485-N489 PolarHBondContact O-OD1 3.47Å |
| 486 | A | 87.1 | Confident | 79 | Confident | 4 Ų | 4 | 62.7 Ų | 62.7 | 3% | 0.033 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.2 | -47.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L412 Q415 D482 C483 A484 N489 Y490 | L412-A486 HydrophobicContact CD1-CB 3.98Å; Q415-A486 HydrophobicContact CG-CB 4.29Å; D482-A486 PolarHBondContact O-N 3.39Å; D482-A486 VanDerWaalsContact O-N 3.07Å; C483-A486 PolarHBondContact O-N 2.95Å; A484-A486 PolarHBondContact O-N 3.22Å; A486-N489 PolarHBondContact O-N 3.44Å; A486-Y490 PolarHBondContact O-N 2.89Å; A486-Y490 VanDerWaalsContact O-N 3.13Å |
| 487 | I | 86.5 | Confident | 76 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 178.1 | -59.8 | 159.5 | 0 | 0 | 0 | 111 | L412 L416 L468 L471 H472 M475 C483 A484 S485 Y490 L491 | L412-I487 HydrophobicContact CD1-CG1 4.26Å; L412-I487 HydrophobicContact CD2-CG1 4.32Å; L416-I487 HydrophobicContact CD1-CD1 4.11Å; L416-I487 HydrophobicContact CD1-CG1 3.92Å; L416-I487 HydrophobicContact CD2-CD1 4.1Å; L416-I487 HydrophobicContact CD2-CG1 4.1Å; L468-I487 HydrophobicContact CB-CG2 4.33Å; L468-I487 HydrophobicContact CD2-CG2 4.27Å; L468-I487 WeakPolarHBondContact O-CG2 3.38Å; L471-I487 HydrophobicContact CB-CD1 4.03Å; L471-I487 HydrophobicContact CD2-CD1 4Å; L471-I487 HydrophobicContact CG-CD1 3.75Å; H472-I487 HydrophobicContact CB-CB 4.38Å; H472-I487 HydrophobicContact CB-CG2 3.88Å; M475-I487 HydrophobicContact CG-CD1 3.84Å; C483-I487 WeakPolarHBondContact O-CD1 3.4Å; C483-I487 WeakPolarHBondContact O-CG1 3.36Å; C483-I487 PolarHBondContact O-N 2.88Å; A484-I487 PolarHBondContact O-N 3.06Å; S485-I487 PolarHBondContact O-N 2.99Å; I487-Y490 PolarHBondContact O-N 3.01Å; I487-L491 HydrophobicContact CG2-CD1 3.89Å; I487-L491 HydrophobicContact CG2-CG 4.28Å; I487-L491 WeakPolarHBondContact O-CB 3.11Å; I487-L491 WeakPolarHBondContact O-CG 3.45Å; I487-L491 PolarHBondContact O-N 2.82Å |
| 488 | Q | 85.3 | Confident | 73 | Confident | 90 Ų | 90 | 66.6 Ų | 66.6 | 42% | 0.421 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.4 | -35.3 | 179.3 | -174.2 | 60.3 | 20.6 | 0 | 0 | 112.8 | A484 S485 S492 | A484-Q488 WeakPolarHBondContact O-CB 3.38Å; A484-Q488 PolarHBondContact O-N 3.23Å; S485-Q488 PolarHBondContact O-N 3.2Å; Q488-S492 WeakPolarHBondContact O-CB 3.46Å; Q488-S492 PolarHBondContact O-N 3.35Å; Q488-S492 PolarHBondContact O-OG 3.35Å |
| 489 | N | 83.5 | Confident | 70.3 | Confident | 79 Ų | 79 | 72.8 Ų | 72.8 | 42% | 0.422 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.3 | -43.3 | 174.4 | -65.4 | -13.4 | 0 | 0 | 0 | 110.5 | S485 A486 S492 G493 T494 | S485-N489 WeakPolarHBondContact O-CB 3.45Å; S485-N489 PolarHBondContact O-N 3.29Å; S485-N489 PolarHBondContact O-ND2 3.04Å; S485-N489 PolarHBondContact O-OD1 3.47Å; A486-N489 PolarHBondContact O-N 3.44Å; N489-S492 WeakPolarHBondContact CA-OG 3.38Å; N489-S492 PolarHBondContact O-N 3.22Å; N489-S492 PolarHBondContact O-OG 3.28Å; N489-S492 VanDerWaalsContact O-OG 3.13Å; N489-G493 PolarHBondContact O-N 2.76Å; N489-T494 PolarHBondContact O-N 3.23Å; N489-T494 PolarHBondContact O-OG1 3.36Å; N489-T494 VanDerWaalsContact O-OG1 3.09Å |
| 490 | Y | 80.9 | Confident | 67.4 | Low | 88 Ų | 88 | 69.7 Ų | 69.7 | 35% | 0.345 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.8 | -49.3 | 173.2 | -176.8 | -93.9 | 0 | 0 | 0 | 112 | P409 L412 L468 A486 I487 S492 G493 H495 | P409-Y490 HydrophobicContact CB-CE2 3.95Å; P409-Y490 HydrophobicContact CG-CD1 4.08Å; P409-Y490 HydrophobicContact CG-CD2 4.05Å; P409-Y490 HydrophobicContact CG-CE1 3.51Å; P409-Y490 HydrophobicContact CG-CE2 3.48Å; P409-Y490 VanDerWaalsContact CG-CE2 3.48Å; P409-Y490 HydrophobicContact CG-CG 4.33Å; P409-Y490 WeakPolarHBondContact CG-OH 3.48Å; L412-Y490 HydrophobicContact CD2-CD1 4.16Å; L412-Y490 HydrophobicContact CD2-CG 4.05Å; L468-Y490 HydrophobicContact CD1-CD1 3.98Å; L468-Y490 HydrophobicContact CD1-CE1 3.9Å; A486-Y490 PolarHBondContact O-N 2.89Å; A486-Y490 VanDerWaalsContact O-N 3.13Å; I487-Y490 PolarHBondContact O-N 3.01Å; Y490-S492 PolarHBondContact O-N 3.07Å; Y490-G493 PolarHBondContact O-N 2.87Å; Y490-H495 AromaticContact CD2-NE2 3.84Å |
| 491 | L | 76.3 | Confident | 64.4 | Low | 68 Ų | 68 | 73.4 Ų | 73.4 | 36% | 0.356 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.7 | -26 | 178.5 | -74.8 | 174.9 | 0 | 0 | 0 | 113.9 | L468 I487 | L468-L491 HydrophobicContact CB-CD1 4.32Å; L468-L491 HydrophobicContact CB-CD2 3.89Å; L468-L491 HydrophobicContact CB-CG 4.34Å; L468-L491 HydrophobicContact CD1-CD2 3.97Å; I487-L491 HydrophobicContact CG2-CD1 3.89Å; I487-L491 HydrophobicContact CG2-CG 4.28Å; I487-L491 WeakPolarHBondContact O-CB 3.11Å; I487-L491 WeakPolarHBondContact O-CG 3.45Å; I487-L491 PolarHBondContact O-N 2.82Å |
| 492 | S | 75 | Confident | 61.5 | Low | 71 Ų | 71 | 77.2 Ų | 77.2 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 1.8 | 174.8 | 57.5 | 0 | 0 | 0 | 0 | 114 | Q488 N489 Y490 T494 | Q488-S492 WeakPolarHBondContact O-CB 3.46Å; Q488-S492 PolarHBondContact O-N 3.35Å; Q488-S492 PolarHBondContact O-OG 3.35Å; N489-S492 WeakPolarHBondContact CA-OG 3.38Å; N489-S492 PolarHBondContact O-N 3.22Å; N489-S492 PolarHBondContact O-OG 3.28Å; N489-S492 VanDerWaalsContact O-OG 3.13Å; Y490-S492 PolarHBondContact O-N 3.07Å; S492-T494 PolarHBondContact O-N 3.03Å |
| 493 | G | 59.3 | Low | 58.5 | Low | 59 Ų | 59 | 85.1 Ų | 85.1 | 61% | 0.608 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | 21 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | N489 Y490 H495 | N489-G493 PolarHBondContact O-N 2.76Å; Y490-G493 PolarHBondContact O-N 2.87Å; G493-H495 PolarHBondContact O-N 2.83Å |
| 494 | T | 44.6 | Very low | 55.6 | Low | 99 Ų | 99 | 89.3 Ų | 89.3 | 61% | 0.607 | 57% | 0.569 | S | S | * | * | trans | -78.8 | 38.3 | -173.6 | 25.2 | 0 | 0 | 0 | 0 | 115.2 | N489 S492 G496 | N489-T494 PolarHBondContact O-N 3.23Å; N489-T494 PolarHBondContact O-OG1 3.36Å; N489-T494 VanDerWaalsContact O-OG1 3.09Å; S492-T494 PolarHBondContact O-N 3.03Å; T494-G496 VanDerWaalsContact C-N 3.34Å; T494-G496 PolarHBondContact O-N 3.09Å; T494-G496 VanDerWaalsContact O-N 3.13Å | ||
| 495 | H | 44.5 | Very low | 52.6 | Low | 148 Ų | 148 | 92.5 Ų | 92.5 | 69% | 0.685 | 60% | 0.602 | S | S | * | * | trans | -83.4 | 74.2 | 166.5 | -81.3 | -83.8 | 0 | 0 | 0 | 111.5 | Y490 G493 | Y490-H495 AromaticContact CD2-NE2 3.84Å; G493-H495 PolarHBondContact O-N 2.83Å | ||
| 496 | G | 32.5 | Very low | 49.8 | Very low | 79 Ų | 79 | 94.9 Ų | 94.9 | 81% | 0.814 | 63% | 0.625 | S | S | * | * | trans | -126.4 | 98.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | T494 | T494-G496 VanDerWaalsContact C-N 3.34Å; T494-G496 PolarHBondContact O-N 3.09Å; T494-G496 VanDerWaalsContact O-N 3.13Å | ||
| 497 | G | 26.8 | Very low | 47 | Very low | 80 Ų | 80 | 106 Ų | 106 | 83% | 0.825 | 67% | 0.666 | S | S | * | * | trans | 178.6 | 30.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 498 | S | 26.3 | Very low | 44.3 | Very low | 116 Ų | 116 | 117 Ų | 117 | 81% | 0.811 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -75.8 | 144.9 | 156.9 | -94.9 | 0 | 0 | 0 | 0 | 109.5 | G500 | S498-G500 PolarHBondContact O-N 3.24Š|
| 499 | P | 34.8 | Very low | 41.5 | Very low | 130 Ų | 130 | 120.3 Ų | 120.3 | 84% | 0.844 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 122.7 | -168.9 | 24.5 | -34 | 0 | 0 | 0 | 112.1 | S501 | P499-S501 PolarHBondContact O-N 2.77Š|
| 500 | G | 28.1 | Very low | 38.9 | Very low | 74 Ų | 74 | 126.1 Ų | 126.1 | 76% | 0.763 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 121.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S498 E502 | S498-G500 PolarHBondContact O-N 3.24Å; G500-E502 PolarHBondContact O-N 2.9Å |
| 501 | S | 28.6 | Very low | 36.3 | Very low | 109 Ų | 109 | 125.3 Ų | 125.3 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 123.4 | 175.3 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | P499 R503 | P499-S501 PolarHBondContact O-N 2.77Å; S501-R503 PolarHBondContact O-N 2.8Å; S501-R503 VanDerWaalsContact O-N 3.09Å |
| 502 | E | 30.8 | Very low | 34.2 | Very low | 197 Ų | 197 | 130.2 Ų | 130.2 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -67.3 | 106.8 | 175.1 | -69 | -166.2 | 137 | 0 | 0 | 110.7 | G500 | G500-E502 PolarHBondContact O-N 2.9Š| ||
| 503 | R | 28.1 | Very low | 32.1 | Very low | 235 Ų | 235 | 136.4 Ų | 136.4 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | trans | -122.1 | 118.1 | 162.8 | -91 | -170.1 | 166.8 | -165.4 | -3.1 | 110.8 | S501 G505 | S501-R503 PolarHBondContact O-N 2.8Å; S501-R503 VanDerWaalsContact O-N 3.09Å; R503-G505 PolarHBondContact O-N 3.33Å | ||
| 504 | G | 30.8 | Very low | 30.8 | Very low | 89 Ų | 89 | 141.6 Ų | 141.6 | 92% | 0.918 | 83% | 0.833 | S | S | * | * | trans | -52.3 | 126.3 | -166.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 505 | G | 26.6 | Very low | 30.1 | Very low | 71 Ų | 71 | 144.5 Ų | 144.5 | 73% | 0.732 | 85% | 0.845 | S | S | * | * | trans | -106.8 | 103.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | R503 R507 | R503-G505 PolarHBondContact O-N 3.33Å; G505-R507 PolarHBondContact O-N 3.43Å | ||
| 506 | A | 29.1 | Very low | 29.5 | Very low | 107 Ų | 107 | 145.6 Ų | 145.6 | 88% | 0.884 | 85% | 0.85 | S | S | * | * | trans | -62.7 | 126.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 507 | R | 29.3 | Very low | 29.5 | Very low | 236 Ų | 236 | 150.9 Ų | 150.9 | 89% | 0.891 | 85% | 0.851 | S | S | * | * | trans | -107 | 138.6 | 164.9 | -75.7 | -173.2 | 170.3 | -176.1 | -2.1 | 109.1 | G505 | G505-R507 PolarHBondContact O-N 3.43Š| ||
| 508 | Y | 28.2 | Very low | 29.8 | Very low | 232 Ų | 232 | 159 Ų | 159 | 91% | 0.91 | 87% | 0.874 | S | S | * | * | trans | -62.1 | 138.5 | -178 | -101.9 | -117.3 | 0 | 0 | 0 | 111.5 | ||||
| 509 | N | 27.5 | Very low | 30 | Very low | 160 Ų | 160 | 161.1 Ų | 161.1 | 86% | 0.856 | 88% | 0.877 | S | S | * | * | trans | -68.2 | 132.2 | 166.1 | -70.9 | -21.3 | 0 | 0 | 0 | 109.5 | ||||
| 510 | Q | 29 | Very low | 29.7 | Very low | 201 Ų | 201 | 162.7 Ų | 162.7 | 94% | 0.939 | 88% | 0.878 | S | S | * | * | trans | -144.2 | 108.2 | 161.4 | -142.6 | 175.6 | 13.9 | 0 | 0 | 108.4 | ||||
| 511 | G | 26.7 | Very low | 29.8 | Very low | 71 Ų | 71 | 167.7 Ų | 167.7 | 73% | 0.732 | 89% | 0.885 | S | S | * | * | trans | 175.1 | 126.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 512 | L | 31.2 | Very low | 29.9 | Very low | 170 Ų | 170 | 171.1 Ų | 171.1 | 89% | 0.89 | 89% | 0.892 | S | S | * | * | trans | 66.2 | 89.2 | 161.2 | -53.4 | 173.5 | 0 | 0 | 0 | 116.3 | ||||
| 513 | E | 30.4 | Very low | 29.8 | Very low | 202 Ų | 202 | 169.5 Ų | 169.5 | 94% | 0.944 | 89% | 0.89 | S | S | * | * | trans | -62 | 137.5 | 143.4 | -67.3 | 173.6 | 126.1 | 0 | 0 | 108.8 | ||||
| 514 | L | 32.5 | Very low | 30 | Very low | 168 Ų | 168 | 165.1 Ų | 165.1 | 88% | 0.88 | 89% | 0.891 | S | S | * | * | trans | -104.5 | 120 | 172.3 | -86.2 | 162.1 | 0 | 0 | 0 | 108.1 | ||||
| 515 | D | 31 | Very low | 29.9 | Very low | 160 Ų | 160 | 170.6 Ų | 170.6 | 86% | 0.856 | 89% | 0.889 | S | S | * | * | trans | -90.1 | 115.1 | -179.6 | -155.9 | -0.1 | 0 | 0 | 0 | 109.8 | ||||
| 516 | E | 31.7 | Very low | 30.1 | Very low | 171 Ų | 171 | 178.2 Ų | 178.2 | 80% | 0.799 | 90% | 0.901 | S | S | * | * | trans | -84.9 | 118.3 | 178.3 | -72.8 | -170.6 | 135.4 | 0 | 0 | 111.6 | ||||
| 517 | K | 32.9 | Very low | 30.2 | Very low | 190 Ų | 190 | 184.2 Ų | 184.2 | 83% | 0.826 | 90% | 0.902 | S | S | * | * | trans | -167.7 | 139.2 | 143.9 | -103.3 | 134.3 | -156.4 | 148.6 | 0 | 114.6 | ||||
| 518 | L | 32.5 | Very low | 30.3 | Very low | 249 Ų | 249 | 179.5 Ų | 179.5 | 100% | 1.304 | 90% | 0.903 | S | S | * | * | trans | 69.8 | 0 | 165.6 | -63.9 | 165.7 | 0 | 0 | 0 | 116 |
Retrieved 518 of 518 residues in 330.4 ms
(Link to these results)