| 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 | 51.3 | Low | 81.1 | Confident | 176 Ų | 176 | 105 Ų | 105 | 87% | 0.867 | 55% | 0.547 | S | S | * | . | 0 | 112.8 | 0 | -77.1 | -63.5 | -79.6 | 0 | 0 | 107.9 | N5 | M1-N5 HydrophobicContact CE-CB 3.9Å; M1-N5 HydrophobicContact SD-CB 4.45Å | |||
| 2 | T | 81.2 | Confident | 81.6 | Confident | 78 Ų | 78 | 105.4 Ų | 105.4 | 48% | 0.479 | 55% | 0.549 | S | S | . | . | trans | -71.7 | 151.5 | 177.9 | 46.8 | 0 | 0 | 0 | 0 | 110 | E4 N5 Q6 | T2-E4 PolarHBondContact O-N 3.4Å; T2-N5 WeakPolarHBondContact O-CB 3.46Å; T2-N5 PolarHBondContact O-N 3.07Å; T2-N5 PolarHBondContact OG1-ND2 3.29Å; T2-N5 PolarHBondContact OG1-OD1 3.34Å; T2-Q6 PolarHBondContact O-N 3.26Å | ||
| 3 | S | 80.2 | Confident | 81.6 | Confident | 99 Ų | 99 | 104.8 Ų | 104.8 | 69% | 0.692 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -54.2 | -36.3 | 176.4 | 48.6 | 0 | 0 | 0 | 0 | 111.9 | N5 Q6 E7 | S3-N5 VanDerWaalsContact C-N 3.32Å; S3-N5 PolarHBondContact O-N 3.5Å; S3-Q6 PolarHBondContact O-N 3.46Å; S3-E7 PolarHBondContact O-N 3.4Å |
| 4 | E | 83.6 | Confident | 81.7 | Confident | 108 Ų | 108 | 109.9 Ų | 109.9 | 51% | 0.505 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61 | -37.2 | 175.1 | -165.6 | -172.1 | 158.4 | 0 | 0 | 112.8 | T2 E7 K8 | T2-E4 PolarHBondContact O-N 3.4Å; E4-E7 PolarHBondContact O-N 3.47Å; E4-K8 WeakPolarHBondContact O-CG 3.47Å; E4-K8 PolarHBondContact O-N 3.35Å; E4-K8 WeakPolarHBondContact OE1-CE 3.44Å; E4-K8 IonicContact OE1-NZ 3.89Å; E4-K8 PolarHBondContact OE1-NZ 3.01Å |
| 5 | N | 74.6 | Confident | 81.8 | Confident | 67 Ų | 67 | 109.3 Ų | 109.3 | 36% | 0.358 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -71.5 | -34.2 | 177.3 | -72.7 | 1.7 | 0 | 0 | 0 | 111.5 | M1 T2 S3 E7 V9 | M1-N5 HydrophobicContact CE-CB 3.9Å; M1-N5 HydrophobicContact SD-CB 4.45Å; T2-N5 WeakPolarHBondContact O-CB 3.46Å; T2-N5 PolarHBondContact O-N 3.07Å; T2-N5 PolarHBondContact OG1-ND2 3.29Å; T2-N5 PolarHBondContact OG1-OD1 3.34Å; S3-N5 VanDerWaalsContact C-N 3.32Å; S3-N5 PolarHBondContact O-N 3.5Å; N5-E7 VanDerWaalsContact C-N 3.34Å; N5-V9 VanDerWaalsContact O-CG2 3.26Å; N5-V9 WeakPolarHBondContact O-CG2 3.33Å; N5-V9 PolarHBondContact O-N 3.09Å; N5-V9 VanDerWaalsContact O-N 3.12Å |
| 6 | Q | 82.2 | Confident | 81.3 | Confident | 112 Ų | 112 | 108.4 Ų | 108.4 | 52% | 0.523 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -68.1 | -36.7 | 174.8 | -73.3 | -178.2 | -21.3 | 0 | 0 | 111.8 | T2 S3 V9 K10 | T2-Q6 PolarHBondContact O-N 3.26Å; S3-Q6 PolarHBondContact O-N 3.46Å; Q6-V9 PolarHBondContact O-N 2.91Å; Q6-K10 WeakPolarHBondContact O-CB 3.48Å; Q6-K10 WeakPolarHBondContact O-CG 3.36Å; Q6-K10 PolarHBondContact O-N 3.25Å |
| 7 | E | 87.7 | Confident | 80.8 | Confident | 144 Ų | 144 | 110.1 Ų | 110.1 | 67% | 0.673 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.8 | -39.9 | 178.6 | -161.4 | 166.7 | -162.3 | 0 | 0 | 111.9 | S3 E4 N5 K10 A11 | S3-E7 PolarHBondContact O-N 3.4Å; E4-E7 PolarHBondContact O-N 3.47Å; N5-E7 VanDerWaalsContact C-N 3.34Å; E7-K10 PolarHBondContact O-N 3.01Å; E7-A11 WeakPolarHBondContact O-CB 3.4Å; E7-A11 PolarHBondContact O-N 2.99Å |
| 8 | K | 86.5 | Confident | 80.1 | Confident | 111 Ų | 111 | 111.8 Ų | 111.8 | 48% | 0.483 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.5 | -40.2 | 173.5 | -72.8 | 174 | -175 | 168.8 | 0 | 112.8 | E4 A11 L12 | E4-K8 WeakPolarHBondContact O-CG 3.47Å; E4-K8 PolarHBondContact O-N 3.35Å; E4-K8 WeakPolarHBondContact OE1-CE 3.44Å; E4-K8 IonicContact OE1-NZ 3.89Å; E4-K8 PolarHBondContact OE1-NZ 3.01Å; K8-A11 PolarHBondContact O-N 3.43Å; K8-L12 PolarHBondContact O-N 3.35Å |
| 9 | V | 87.4 | Confident | 78.9 | Confident | 74 Ų | 74 | 113.3 Ų | 113.3 | 45% | 0.448 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.2 | -42.1 | 175.9 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | N5 Q6 A11 L12 L13 | N5-V9 VanDerWaalsContact O-CG2 3.26Å; N5-V9 WeakPolarHBondContact O-CG2 3.33Å; N5-V9 PolarHBondContact O-N 3.09Å; N5-V9 VanDerWaalsContact O-N 3.12Å; Q6-V9 PolarHBondContact O-N 2.91Å; V9-A11 VanDerWaalsContact C-N 3.31Å; V9-A11 PolarHBondContact O-N 3.48Å; V9-L12 PolarHBondContact O-N 2.88Å; V9-L13 HydrophobicContact CG1-CD1 4.06Å; V9-L13 WeakPolarHBondContact O-CG 3.34Å; V9-L13 PolarHBondContact O-N 3.02Å |
| 10 | K | 89.8 | Confident | 77.4 | Confident | 141 Ų | 141 | 114.1 Ų | 114.1 | 61% | 0.613 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65 | -33.6 | 175.2 | -75.3 | 178.8 | 179.4 | -177.4 | 0 | 112.8 | Q6 E7 R14 | Q6-K10 WeakPolarHBondContact O-CB 3.48Å; Q6-K10 WeakPolarHBondContact O-CG 3.36Å; Q6-K10 PolarHBondContact O-N 3.25Å; E7-K10 PolarHBondContact O-N 3.01Å; K10-R14 PolarHBondContact O-N 3.35Å |
| 11 | A | 88 | Confident | 76.1 | Confident | 45 Ų | 45 | 112.1 Ų | 112.1 | 37% | 0.372 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.3 | -46.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | E7 K8 V9 L13 R14 D15 | E7-A11 WeakPolarHBondContact O-CB 3.4Å; E7-A11 PolarHBondContact O-N 2.99Å; K8-A11 PolarHBondContact O-N 3.43Å; V9-A11 VanDerWaalsContact C-N 3.31Å; V9-A11 PolarHBondContact O-N 3.48Å; A11-L13 VanDerWaalsContact C-N 3.32Å; A11-L13 PolarHBondContact O-N 2.63Å; A11-R14 PolarHBondContact O-N 3.11Å; A11-R14 VanDerWaalsContact O-N 3.12Å; A11-D15 PolarHBondContact O-N 3.23Å; A11-D15 VanDerWaalsContact O-N 3.1Å |
| 12 | L | 86.5 | Confident | 75.8 | Confident | 110 Ų | 110 | 111 Ų | 111 | 58% | 0.576 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -59.9 | -38.9 | 176.3 | -86.1 | 161.1 | 0 | 0 | 0 | 113.2 | K8 V9 R14 D15 L16 | K8-L12 PolarHBondContact O-N 3.35Å; V9-L12 PolarHBondContact O-N 2.88Å; L12-R14 VanDerWaalsContact C-N 3.31Å; L12-R14 PolarHBondContact O-N 3.33Å; L12-D15 PolarHBondContact O-N 3.35Å; L12-L16 WeakPolarHBondContact O-CG 3.27Å; L12-L16 PolarHBondContact O-N 3.34Å |
| 13 | L | 82.1 | Confident | 74.3 | Confident | 98 Ų | 98 | 111.9 Ų | 111.9 | 51% | 0.513 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.3 | -29.5 | 177.1 | -71.9 | 171.2 | 0 | 0 | 0 | 112.7 | V9 A11 Q17 | V9-L13 HydrophobicContact CG1-CD1 4.06Å; V9-L13 WeakPolarHBondContact O-CG 3.34Å; V9-L13 PolarHBondContact O-N 3.02Å; A11-L13 VanDerWaalsContact C-N 3.32Å; A11-L13 PolarHBondContact O-N 2.63Å; L13-Q17 WeakPolarHBondContact O-CG 3.26Å; L13-Q17 PolarHBondContact O-N 3.02Å |
| 14 | R | 82.6 | Confident | 72.4 | Confident | 175 Ų | 175 | 110.1 Ų | 110.1 | 66% | 0.66 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -74.1 | -41.4 | 174.6 | -76.2 | -161.7 | -69.8 | 176.9 | -1.2 | 112.3 | K10 A11 L12 L16 Q17 E18 | K10-R14 PolarHBondContact O-N 3.35Å; A11-R14 PolarHBondContact O-N 3.11Å; A11-R14 VanDerWaalsContact O-N 3.12Å; L12-R14 VanDerWaalsContact C-N 3.31Å; L12-R14 PolarHBondContact O-N 3.33Å; R14-L16 VanDerWaalsContact C-N 3.3Å; R14-L16 PolarHBondContact O-N 3.4Å; R14-Q17 PolarHBondContact O-N 3.39Å; R14-E18 PolarHBondContact O-N 3.11Å |
| 15 | D | 82.8 | Confident | 70.3 | Confident | 102 Ų | 102 | 110.4 Ų | 110.4 | 55% | 0.545 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.4 | -38.1 | 175.9 | -86.2 | 19.5 | 0 | 0 | 0 | 112.1 | A11 L12 E18 Q19 | A11-D15 PolarHBondContact O-N 3.23Å; A11-D15 VanDerWaalsContact O-N 3.1Å; L12-D15 PolarHBondContact O-N 3.35Å; D15-E18 PolarHBondContact O-N 2.81Å; D15-Q19 PolarHBondContact O-N 2.92Å |
| 16 | L | 74.1 | Confident | 68.3 | Low | 94 Ų | 94 | 115.9 Ų | 115.9 | 49% | 0.492 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.5 | -40.2 | 176.3 | -74.4 | 168.4 | 0 | 0 | 0 | 112.1 | L12 R14 E18 Q19 D20 | L12-L16 WeakPolarHBondContact O-CG 3.27Å; L12-L16 PolarHBondContact O-N 3.34Å; R14-L16 VanDerWaalsContact C-N 3.3Å; R14-L16 PolarHBondContact O-N 3.4Å; L16-E18 VanDerWaalsContact C-N 3.34Å; L16-Q19 PolarHBondContact O-N 3.49Å; L16-D20 PolarHBondContact O-N 3.4Å; L16-D20 VanDerWaalsContact O-N 3.09Å |
| 17 | Q | 73.8 | Confident | 66.1 | Low | 138 Ų | 138 | 121.7 Ų | 121.7 | 65% | 0.645 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -68 | -32 | 175.7 | -77.3 | 179 | -27 | 0 | 0 | 112.9 | L13 R14 A21 | L13-Q17 WeakPolarHBondContact O-CG 3.26Å; L13-Q17 PolarHBondContact O-N 3.02Å; R14-Q17 PolarHBondContact O-N 3.39Å; Q17-A21 WeakPolarHBondContact O-CB 3.13Å; Q17-A21 PolarHBondContact O-N 2.95Å |
| 18 | E | 68.4 | Low | 63.4 | Low | 141 Ų | 141 | 118.1 Ų | 118.1 | 66% | 0.659 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -71.1 | -31.9 | 172.3 | -81.4 | -176.9 | 173.2 | 0 | 0 | 112.3 | R14 D15 L16 A21 D22 | R14-E18 PolarHBondContact O-N 3.11Å; D15-E18 PolarHBondContact O-N 2.81Å; L16-E18 VanDerWaalsContact C-N 3.34Å; E18-A21 PolarHBondContact O-N 3.19Å; E18-D22 PolarHBondContact O-N 3.24Å |
| 19 | Q | 55.7 | Low | 60.8 | Low | 139 Ų | 139 | 120.1 Ų | 120.1 | 65% | 0.65 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -69.1 | -35.8 | 172.9 | -79 | -177.4 | -6.8 | 0 | 0 | 113 | D15 L16 A21 | D15-Q19 PolarHBondContact O-N 2.92Å; L16-Q19 PolarHBondContact O-N 3.49Å; Q19-A21 VanDerWaalsContact C-N 3.31Å |
| 20 | D | 48.8 | Very low | 58.3 | Low | 130 Ų | 130 | 122 Ų | 122 | 70% | 0.695 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -74.5 | -22.8 | 176 | -70.3 | -31 | 0 | 0 | 0 | 112.5 | L16 | L16-D20 PolarHBondContact O-N 3.4Å; L16-D20 VanDerWaalsContact O-N 3.09Å |
| 21 | A | 51.3 | Low | 55.4 | Low | 72 Ų | 72 | 119 Ų | 119 | 60% | 0.595 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -80.1 | -20.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | Q17 E18 Q19 | Q17-A21 WeakPolarHBondContact O-CB 3.13Å; Q17-A21 PolarHBondContact O-N 2.95Å; E18-A21 PolarHBondContact O-N 3.19Å; Q19-A21 VanDerWaalsContact C-N 3.31Å |
| 22 | D | 45.7 | Very low | 52.8 | Low | 154 Ų | 154 | 126 Ų | 126 | 82% | 0.824 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -4.7 | -178.8 | -153.8 | 29.5 | 0 | 0 | 0 | 113.5 | E18 | E18-D22 PolarHBondContact O-N 3.24Š|
| 23 | A | 48.2 | Very low | 50.2 | Low | 96 Ų | 96 | 128.8 Ų | 128.8 | 79% | 0.793 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | 3.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 24 | G | 41 | Very low | 47.8 | Very low | 61 Ų | 61 | 132 Ų | 132 | 63% | 0.629 | 73% | 0.728 | S | S | * | * | trans | -144.3 | 55.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | E26 | G24-E26 PolarHBondContact O-N 3.4Š| ||
| 25 | S | 38.5 | Very low | 45.6 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | trans | -85.8 | 99.8 | 169.8 | -167.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 26 | E | 33.5 | Very low | 43.2 | Very low | 183 Ų | 183 | 133.3 Ų | 133.3 | 86% | 0.855 | 75% | 0.748 | S | S | * | * | trans | -150.8 | 94.3 | 133.6 | -70.6 | -150.3 | 168 | 0 | 0 | 106.1 | G24 | G24-E26 PolarHBondContact O-N 3.4Š| ||
| 27 | R | 35.3 | Very low | 41.6 | Very low | 234 Ų | 234 | 137.6 Ų | 137.6 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | 39.5 | 117.3 | 91.8 | -163.4 | 176.8 | -150.9 | -158 | 4.5 | 111.9 | |||||
| 28 | G | 32.1 | Very low | 40.2 | Very low | 68 Ų | 68 | 136.4 Ų | 136.4 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | cis | -174.1 | -171.2 | 2.3 | 0 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 29 | L | 30.8 | Very low | 38.5 | Very low | 154 Ų | 154 | 137 Ų | 137 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | cis | -166.3 | 121.5 | 24.9 | -81.9 | 166 | 0 | 0 | 0 | 103.3 | ||||
| 30 | S | 36 | Very low | 37.2 | Very low | 114 Ų | 114 | 135 Ų | 135 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | 50.8 | 117.2 | 104.9 | 73.3 | 0 | 0 | 0 | 0 | 116 | |||||
| 31 | G | 28 | Very low | 36.2 | Very low | 78 Ų | 78 | 134.3 Ų | 134.3 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -176.9 | 84.7 | 163 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 32 | E | 33.2 | Very low | 35.1 | Very low | 191 Ų | 191 | 136.8 Ų | 136.8 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | -69.1 | 136.9 | 160.3 | -63.6 | 178.9 | 161.5 | 0 | 0 | 107.9 | ||||
| 33 | E | 31.8 | Very low | 34.5 | Very low | 168 Ų | 168 | 137 Ų | 137 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | 174.8 | 132 | 122.2 | -92.4 | -177.7 | -160.4 | 0 | 0 | 111.8 | |||||
| 34 | E | 33.3 | Very low | 33.8 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 77% | 0.771 | 79% | 0.786 | S | S | * | * | trans | 65.9 | 125.4 | 141.6 | -60.3 | -173.9 | 167.3 | 0 | 0 | 122.9 | ||||
| 35 | D | 35.5 | Very low | 33.3 | Very low | 143 Ų | 143 | 149.6 Ų | 149.6 | 77% | 0.765 | 80% | 0.801 | S | S | * | * | trans | 24.3 | 121.4 | 137.6 | -72.3 | -24.8 | 0 | 0 | 0 | 119.8 | ||||
| 36 | D | 33.4 | Very low | 32.9 | Very low | 162 Ų | 162 | 153 Ų | 153 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | 168.7 | 147.2 | 106.3 | -92 | -35.7 | 0 | 0 | 0 | 111.9 | |||||
| 37 | E | 39.3 | Very low | 32.8 | Very low | 184 Ų | 184 | 156 Ų | 156 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -61 | 161.9 | 178.5 | -84.6 | -139.5 | 152.4 | 0 | 0 | 114.8 | ||||
| 38 | P | 44 | Very low | 32.9 | Very low | 113 Ų | 113 | 149.2 Ų | 149.2 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -91.1 | 134.2 | -166.8 | 34.7 | -29 | 0 | 0 | 0 | 111.9 | ||||
| 39 | D | 32.9 | Very low | 33 | Very low | 154 Ų | 154 | 151.1 Ų | 151.1 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -151.7 | 136.7 | 159.4 | -123.6 | -23.1 | 0 | 0 | 0 | 115.1 | ||||
| 40 | C | 29.5 | Very low | 32.9 | Very low | 98 Ų | 98 | 147.3 Ų | 147.3 | 66% | 0.662 | 80% | 0.795 | S | S | * | * | trans | 74.6 | 107.2 | 152.4 | -69.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 41 | C | 27.4 | Very low | 32.5 | Very low | 114 Ų | 114 | 151.3 Ų | 151.3 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | 78.2 | 137.5 | 116.2 | -70.6 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 42 | N | 28.6 | Very low | 32.6 | Very low | 124 Ų | 124 | 156 Ų | 156 | 66% | 0.663 | 80% | 0.802 | S | S | * | * | trans | 76.2 | 112.7 | 150.6 | -86.3 | 5.6 | 0 | 0 | 0 | 119.7 | ||||
| 43 | D | 31.8 | Very low | 32.5 | Very low | 158 Ų | 158 | 153 Ų | 153 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | -157.3 | 105.9 | 94.9 | -96.3 | -20.4 | 0 | 0 | 0 | 112.1 | |||||
| 44 | E | 34.4 | Very low | 32.3 | Very low | 171 Ų | 171 | 149.2 Ų | 149.2 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | trans | -68.4 | 130.8 | 162.8 | -65.7 | -179.8 | 128.6 | 0 | 0 | 110.1 | ||||
| 45 | R | 30.4 | Very low | 32.2 | Very low | 252 Ų | 252 | 149.4 Ų | 149.4 | 95% | 0.951 | 80% | 0.797 | S | S | * | * | trans | -96.4 | 101.2 | 161.6 | -73.1 | -171.8 | -173.2 | 178.9 | 4.1 | 110.4 | ||||
| 46 | Y | 29.8 | Very low | 32.1 | Very low | 184 Ų | 184 | 148.9 Ų | 148.9 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | trans | -29.2 | 135.5 | 163.8 | -147.7 | -107 | 0 | 0 | 0 | 118.3 | P48 | Y46-P48 HydrophobicContact CD1-CB 4.38Å; Y46-P48 HydrophobicContact CD1-CG 4.32Å; Y46-P48 HydrophobicContact CE1-CB 3.62Å; Y46-P48 HydrophobicContact CE1-CG 3.82Å | ||
| 47 | W | 31.3 | Very low | 32.6 | Very low | 247 Ų | 247 | 146.1 Ų | 146.1 | 94% | 0.936 | 79% | 0.789 | S | S | * | * | trans | -136.6 | 132.7 | 137 | -69.1 | 114.5 | 0 | 0 | 0 | 108.4 | ||||
| 48 | P | 38.5 | Very low | 32 | Very low | 92 Ų | 92 | 145.1 Ų | 145.1 | 60% | 0.597 | 79% | 0.789 | S | S | * | * | trans | -87.7 | 152 | -172.7 | 32.9 | -30.6 | 0 | 0 | 0 | 113.1 | Y46 | Y46-P48 HydrophobicContact CD1-CB 4.38Å; Y46-P48 HydrophobicContact CD1-CG 4.32Å; Y46-P48 HydrophobicContact CE1-CB 3.62Å; Y46-P48 HydrophobicContact CE1-CG 3.82Å | ||
| 49 | A | 32.8 | Very low | 31.3 | Very low | 108 Ų | 108 | 147.1 Ų | 147.1 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | trans | -98.4 | 152.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 50 | G | 30.1 | Very low | 31.2 | Very low | 73 Ų | 73 | 147 Ų | 147 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | 123.7 | 107.8 | 140.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 51 | Q | 27.4 | Very low | 31.9 | Very low | 198 Ų | 198 | 147.5 Ų | 147.5 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | -170.5 | 122.2 | 121.1 | -114.3 | 172 | 14 | 0 | 0 | 111.7 | |||||
| 52 | E | 29.5 | Very low | 32.1 | Very low | 177 Ų | 177 | 150.5 Ų | 150.5 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | -72.1 | 159.4 | 157.9 | -67.9 | -175.7 | 145.9 | 0 | 0 | 110.2 | ||||
| 53 | P | 31.4 | Very low | 32.3 | Very low | 128 Ų | 128 | 153.2 Ų | 153.2 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | -140.6 | 141 | 101 | 30.3 | -13.2 | 0 | 0 | 0 | 115.6 | |||||
| 54 | S | 27.6 | Very low | 32.3 | Very low | 88 Ų | 88 | 156.6 Ų | 156.6 | 62% | 0.615 | 81% | 0.813 | S | S | * | * | trans | -37.7 | 138 | 156.1 | 171 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 55 | L | 30.7 | Very low | 32.3 | Very low | 170 Ų | 170 | 152.6 Ų | 152.6 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | -158.3 | 139.9 | 129.8 | -79.3 | -168.6 | 0 | 0 | 0 | 110.7 | |||||
| 56 | V | 33.3 | Very low | 32.3 | Very low | 131 Ų | 131 | 144.5 Ų | 144.5 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | -86.9 | -173.6 | -174.9 | -136.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 57 | P | 43.4 | Very low | 32.8 | Very low | 104 Ų | 104 | 144.7 Ų | 144.7 | 68% | 0.675 | 82% | 0.817 | S | S | * | * | trans | -117.4 | 155 | -130.8 | 35.7 | -14.2 | 0 | 0 | 0 | 114.4 | ||||
| 58 | D | 27 | Very low | 32.6 | Very low | 163 Ų | 163 | 137 Ų | 137 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | trans | -131.9 | 104.7 | 168.6 | -84.9 | -36.6 | 0 | 0 | 0 | 112.4 | ||||
| 59 | L | 30.5 | Very low | 32.4 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | trans | 15.5 | 116.4 | 143.5 | -58.5 | 167.4 | 0 | 0 | 0 | 120.5 | ||||
| 60 | D | 30.7 | Very low | 32.4 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | 11.5 | 169.1 | 131.7 | -77.3 | -34.1 | 0 | 0 | 0 | 121.9 | ||||
| 61 | P | 43.3 | Very low | 32.6 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | cis | -140.9 | 162.1 | 0.8 | 20.2 | 5.8 | 0 | 0 | 0 | 116.6 | ||||
| 62 | L | 31.6 | Very low | 33 | Very low | 177 Ų | 177 | 140.2 Ų | 140.2 | 93% | 0.927 | 81% | 0.808 | S | S | * | * | trans | -161.8 | 116.5 | 139.1 | -115 | 154.6 | 0 | 0 | 0 | 112.9 | ||||
| 63 | E | 32.2 | Very low | 33.2 | Very low | 180 Ų | 180 | 141.6 Ų | 141.6 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | trans | -63.8 | 142.8 | 177.4 | -58.1 | 175.2 | 140 | 0 | 0 | 113.2 | ||||
| 64 | Y | 32.2 | Very low | 33.6 | Very low | 229 Ų | 229 | 140.9 Ų | 140.9 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | -167 | 111.5 | 126.9 | -151.3 | -110.8 | 0 | 0 | 0 | 113.1 | |||||
| 65 | A | 35.2 | Very low | 34.2 | Very low | 88 Ų | 88 | 140.9 Ų | 140.9 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | 61.1 | 118.1 | 147 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 66 | G | 30.5 | Very low | 34.6 | Very low | 81 Ų | 81 | 140.8 Ų | 140.8 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | 116.6 | 92.4 | 131.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | A68 | G66-A68 PolarHBondContact O-N 3.18Š| ||
| 67 | L | 39 | Very low | 35.3 | Very low | 188 Ų | 188 | 141.8 Ų | 141.8 | 98% | 0.984 | 79% | 0.786 | S | S | * | * | trans | -63 | 121.7 | 165.7 | -73.9 | 161.1 | 0 | 0 | 0 | 111.2 | ||||
| 68 | A | 28.5 | Very low | 35.8 | Very low | 87 Ų | 87 | 143.1 Ų | 143.1 | 72% | 0.719 | 79% | 0.793 | S | S | * | * | trans | -135.2 | 111.8 | 150.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | G66 V70 | G66-A68 PolarHBondContact O-N 3.18Å; A68-V70 PolarHBondContact O-N 2.89Å | ||
| 69 | S | 32.9 | Very low | 37.7 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -57.2 | 107.2 | 172.5 | 44.3 | 0 | 0 | 0 | 0 | 109.4 | E71 | S69-E71 PolarHBondContact O-N 3.18Š| ||
| 70 | V | 33.1 | Very low | 40 | Very low | 140 Ų | 140 | 132.3 Ų | 132.3 | 85% | 0.848 | 74% | 0.742 | S | S | * | * | trans | -74.2 | 103.7 | 166.9 | 177.5 | 0 | 0 | 0 | 0 | 106.3 | A68 | A68-V70 PolarHBondContact O-N 2.89Š| ||
| 71 | E | 35.5 | Very low | 42.1 | Very low | 164 Ų | 164 | 130.1 Ų | 130.1 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | trans | -55.4 | 141 | 164.5 | -77.1 | 178.9 | 153 | 0 | 0 | 109.1 | S69 Y73 | S69-E71 PolarHBondContact O-N 3.18Å; E71-Y73 PolarHBondContact O-N 3.24Å; E71-Y73 VanDerWaalsContact O-N 3.11Å | ||
| 72 | P | 35.4 | Very low | 43.8 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 76% | 0.76 | 73% | 0.731 | S | S | * | * | trans | -60.4 | 119.3 | 172.5 | 23.6 | -29.8 | 0 | 0 | 0 | 109.1 | V74 | P72-V74 PolarHBondContact O-N 3.41Š| ||
| 73 | Y | 33.9 | Very low | 46.1 | Very low | 206 Ų | 206 | 123.4 Ų | 123.4 | 81% | 0.808 | 69% | 0.689 | S | S | * | * | trans | -60.2 | 97.8 | 177.6 | -168.7 | -100 | 0 | 0 | 0 | 109.5 | E71 | E71-Y73 PolarHBondContact O-N 3.24Å; E71-Y73 VanDerWaalsContact O-N 3.11Å | ||
| 74 | V | 39.5 | Very low | 48.3 | Very low | 112 Ų | 112 | 115.9 Ų | 115.9 | 68% | 0.679 | 66% | 0.656 | S | S | * | * | trans | -72.1 | 127.3 | 171.1 | -174.5 | 0 | 0 | 0 | 0 | 107 | P72 E76 | P72-V74 PolarHBondContact O-N 3.41Å; V74-E76 PolarHBondContact O-N 3.01Å; V74-E76 VanDerWaalsContact O-N 3.08Å | ||
| 75 | P | 39.8 | Very low | 50.5 | Low | 89 Ų | 89 | 109.8 Ų | 109.8 | 58% | 0.578 | 64% | 0.636 | S | S | * | * | trans | -54.1 | 120.3 | 173.6 | -22.6 | 32.2 | 0 | 0 | 0 | 109.3 | F77 | P75-F77 VanDerWaalsContact C-N 3.25Å; P75-F77 PolarHBondContact O-N 3.32Å | ||
| 76 | E | 38 | Very low | 52.7 | Low | 168 Ų | 168 | 109 Ų | 109 | 79% | 0.785 | 62% | 0.616 | S | S | * | * | trans | -63.1 | 88.8 | 175.2 | -74.7 | -176.8 | 155 | 0 | 0 | 109 | V74 T78 | V74-E76 PolarHBondContact O-N 3.01Å; V74-E76 VanDerWaalsContact O-N 3.08Å; E76-T78 PolarHBondContact O-N 3.38Å | ||
| 77 | F | 48.5 | Very low | 55.1 | Low | 151 Ų | 151 | 105.1 Ų | 105.1 | 66% | 0.662 | 58% | 0.576 | S | S | * | * | trans | -61.6 | 108.4 | 161.2 | -92 | -88.1 | 0 | 0 | 0 | 106.8 | P75 V79 | P75-F77 VanDerWaalsContact C-N 3.25Å; P75-F77 PolarHBondContact O-N 3.32Å; F77-V79 VanDerWaalsContact C-N 3.29Å; F77-V79 PolarHBondContact O-N 3Å | ||
| 78 | T | 55.3 | Low | 57.1 | Low | 132 Ų | 132 | 97.2 Ų | 97.2 | 81% | 0.81 | 54% | 0.537 | S | S | * | . | trans | -62.6 | 95.1 | 172.4 | 52.9 | 0 | 0 | 0 | 0 | 107.6 | E76 S80 | E76-T78 PolarHBondContact O-N 3.38Å; T78-S80 PolarHBondContact O-N 3.34Å | ||
| 79 | V | 66.8 | Low | 59.6 | Low | 30 Ų | 30 | 96.9 Ų | 96.9 | 18% | 0.182 | 52% | 0.517 | C | S | . | . | trans | -55.5 | 125.9 | 178.6 | -177.1 | 0 | 0 | 0 | 0 | 108.5 | F77 P81 V84 Q98 L101 R102 | F77-V79 VanDerWaalsContact C-N 3.29Å; F77-V79 PolarHBondContact O-N 3Å; V79-P81 WeakPolarHBondContact O-CD 3.38Å; V79-V84 HydrophobicContact CG1-CG2 3.71Å; V79-Q98 HydrophobicContact CB-CG 4.2Å; V79-Q98 HydrophobicContact CG1-CG 4.25Å; V79-Q98 HydrophobicContact CG2-CG 3.96Å; V79-L101 HydrophobicContact CG1-CB 3.75Å; V79-L101 HydrophobicContact CG1-CD1 3.7Å; V79-L101 HydrophobicContact CG1-CG 4.36Å; V79-R102 HydrophobicContact CG2-CG 3.56Å | ||
| 80 | S | 77.3 | Confident | 61.8 | Low | 61 Ų | 61 | 91.5 Ų | 91.5 | 43% | 0.427 | 48% | 0.479 | S | S | . | . | trans | -59.8 | 121.1 | -179.2 | 176.3 | 0 | 0 | 0 | 0 | 110.1 | T78 F82 A83 V84 | T78-S80 PolarHBondContact O-N 3.34Å; S80-F82 PolarHBondContact O-N 3.11Å; S80-A83 WeakPolarHBondContact O-CB 3.5Å; S80-A83 PolarHBondContact O-N 2.79Å; S80-V84 PolarHBondContact O-N 3.13Å | ||
| 81 | P | 75.6 | Confident | 63.7 | Low | 108 Ų | 108 | 84.9 Ų | 84.9 | 70% | 0.701 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62.8 | -26.9 | -179.8 | 25.1 | -33.6 | 0 | 0 | 0 | 111.8 | V79 V84 Q85 | V79-P81 WeakPolarHBondContact O-CD 3.38Å; P81-V84 PolarHBondContact O-N 3.23Å; P81-Q85 WeakPolarHBondContact O-CB 3.38Å; P81-Q85 PolarHBondContact O-N 3.46Å |
| 82 | F | 78.9 | Confident | 65.8 | Low | 137 Ų | 137 | 77.1 Ų | 77.1 | 60% | 0.601 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -67.1 | -39.6 | 175.1 | -176.5 | -98.3 | 0 | 0 | 0 | 112.3 | S80 Q85 K86 | S80-F82 PolarHBondContact O-N 3.11Å; F82-Q85 PolarHBondContact O-N 3.36Å; F82-K86 PolarHBondContact O-N 2.96Å |
| 83 | A | 79.3 | Confident | 67.7 | Low | 6 Ų | 6 | 72.4 Ų | 72.4 | 5% | 0.05 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S80 K86 L87 L101 V108 | S80-A83 WeakPolarHBondContact O-CB 3.5Å; S80-A83 PolarHBondContact O-N 2.79Å; A83-K86 PolarHBondContact O-N 3.43Å; A83-L87 WeakPolarHBondContact O-CG 3.34Å; A83-L87 PolarHBondContact O-N 3.41Å; A83-L101 HydrophobicContact CB-CD1 3.84Å; A83-L101 HydrophobicContact CB-CD2 4.09Å; A83-V108 HydrophobicContact CB-CG2 3.61Å |
| 84 | V | 80 | Confident | 69.8 | Low | 22 Ų | 22 | 66 Ų | 66 | 13% | 0.133 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63 | -43.9 | 176.3 | -179.7 | 0 | 0 | 0 | 0 | 110.7 | V79 S80 P81 K86 L87 S88 T94 C97 L101 | V79-V84 HydrophobicContact CG1-CG2 3.71Å; S80-V84 PolarHBondContact O-N 3.13Å; P81-V84 PolarHBondContact O-N 3.23Å; V84-K86 VanDerWaalsContact C-N 3.34Å; V84-K86 PolarHBondContact O-N 3.06Å; V84-L87 PolarHBondContact O-N 3.47Å; V84-S88 WeakPolarHBondContact O-CB 3.42Å; V84-S88 PolarHBondContact O-N 3.26Å; V84-T94 HydrophobicContact CG1-CG2 4.09Å; V84-C97 HydrophobicContact CG1-CB 4.28Å; V84-L101 HydrophobicContact CG2-CD1 3.68Å |
| 85 | Q | 78.2 | Confident | 71.6 | Confident | 101 Ų | 101 | 65.9 Ų | 65.9 | 47% | 0.472 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 177.5 | -167.4 | -178.7 | 15.5 | 0 | 0 | 111.3 | P81 F82 S88 R89 | P81-Q85 WeakPolarHBondContact O-CB 3.38Å; P81-Q85 PolarHBondContact O-N 3.46Å; F82-Q85 PolarHBondContact O-N 3.36Å; Q85-S88 PolarHBondContact O-N 3.46Å; Q85-S88 PolarHBondContact O-OG 3.04Å; Q85-R89 WeakPolarHBondContact O-CG 3.41Å; Q85-R89 PolarHBondContact O-N 3.47Å |
| 86 | K | 80.8 | Confident | 73.4 | Confident | 71 Ų | 71 | 64.4 Ų | 64.4 | 31% | 0.309 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 176.6 | -170.9 | 172.2 | 177.2 | -178.8 | 0 | 111.9 | F82 A83 V84 S88 R89 Y90 V108 | F82-K86 PolarHBondContact O-N 2.96Å; A83-K86 PolarHBondContact O-N 3.43Å; V84-K86 VanDerWaalsContact C-N 3.34Å; V84-K86 PolarHBondContact O-N 3.06Å; K86-S88 VanDerWaalsContact C-N 3.34Å; K86-S88 PolarHBondContact O-N 3.42Å; K86-R89 WeakPolarHBondContact O-CB 3.44Å; K86-R89 PolarHBondContact O-N 2.86Å; K86-R89 VanDerWaalsContact O-N 3.12Å; K86-Y90 HydrophobicContact CG-CE2 4.32Å; K86-Y90 VanDerWaalsContact O-CD2 3.26Å; K86-Y90 WeakPolarHBondContact O-CD2 3.35Å; K86-Y90 WeakPolarHBondContact O-CE2 3.11Å; K86-V108 HydrophobicContact CD-CG1 4.26Å |
| 87 | L | 81.8 | Confident | 75.4 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.4 | -37.6 | 176.9 | -68.7 | 178.1 | 0 | 0 | 0 | 112.7 | A83 V84 R89 Y90 C97 L101 V108 L112 L115 | A83-L87 WeakPolarHBondContact O-CG 3.34Å; A83-L87 PolarHBondContact O-N 3.41Å; V84-L87 PolarHBondContact O-N 3.47Å; L87-R89 PolarHBondContact O-N 2.89Å; L87-Y90 PolarHBondContact O-N 3.35Å; L87-Y90 VanDerWaalsContact O-N 3.09Å; L87-C97 HydrophobicContact CB-CB 3.95Å; L87-C97 WeakPolarHBondContact CB-SG 3.43Å; L87-C97 HydrophobicContact CD1-CB 3.98Å; L87-L101 HydrophobicContact CD1-CD1 3.7Å; L87-L101 HydrophobicContact CD1-CD2 4.08Å; L87-L101 HydrophobicContact CD1-CG 3.73Å; L87-V108 HydrophobicContact CD2-CG1 3.87Å; L87-V108 HydrophobicContact CG-CG1 4.09Å; L87-L112 HydrophobicContact CD2-CB 3.79Å; L87-L112 HydrophobicContact CD2-CD1 4.11Å; L87-L112 HydrophobicContact CD2-CG 4.45Å; L87-L115 HydrophobicContact CD1-CD1 4.34Å |
| 88 | S | 80.8 | Confident | 76.9 | Confident | 23 Ų | 23 | 52.7 Ų | 52.7 | 16% | 0.161 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.3 | -26.2 | 175.2 | 77.2 | 0 | 0 | 0 | 0 | 112.8 | V84 Q85 K86 Y90 G91 L281 | V84-S88 WeakPolarHBondContact O-CB 3.42Å; V84-S88 PolarHBondContact O-N 3.26Å; Q85-S88 PolarHBondContact O-N 3.46Å; Q85-S88 PolarHBondContact O-OG 3.04Å; K86-S88 VanDerWaalsContact C-N 3.34Å; K86-S88 PolarHBondContact O-N 3.42Å; S88-Y90 VanDerWaalsContact C-N 3.26Å; S88-Y90 PolarHBondContact O-N 3.46Å; S88-G91 PolarHBondContact O-N 3.19Å; S88-L281 WeakPolarHBondContact O-CD2 3.42Å |
| 89 | R | 80.8 | Confident | 78.1 | Confident | 79 Ų | 79 | 48.6 Ų | 48.6 | 30% | 0.298 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.5 | -25.8 | 176.1 | -70.2 | 177.6 | -176.6 | 170.8 | 2.3 | 112.9 | Q85 K86 L87 G91 Y273 R284 | Q85-R89 WeakPolarHBondContact O-CG 3.41Å; Q85-R89 PolarHBondContact O-N 3.47Å; K86-R89 WeakPolarHBondContact O-CB 3.44Å; K86-R89 PolarHBondContact O-N 2.86Å; K86-R89 VanDerWaalsContact O-N 3.12Å; L87-R89 PolarHBondContact O-N 2.89Å; R89-G91 VanDerWaalsContact C-N 3.25Å; R89-G91 PolarHBondContact O-N 3.35Å; R89-Y273 HydrophobicContact CB-CD2 3.91Å; R89-Y273 HydrophobicContact CB-CE2 3.5Å; R89-Y273 VanDerWaalsContact CB-CE2 3.5Å; R89-Y273 VanDerWaalsContact CD-OH 3.31Å; R89-Y273 WeakPolarHBondContact CD-OH 3.27Å; R89-Y273 HydrophobicContact CG-CE2 4.2Å; R89-Y273 PolarHBondContact NH1-OH 3.06Å; R89-R284 WeakPolarHBondContact O-CD 3.31Å; R89-R284 PolarHBondContact O-NH1 3.29Å |
| 90 | Y | 77.9 | Confident | 78.8 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 2% | 0.02 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -7.4 | 172.7 | -60.7 | -90.4 | 0 | 0 | 0 | 113.4 | K86 L87 S88 L112 E254 A271 Y273 R284 L285 | K86-Y90 HydrophobicContact CG-CE2 4.32Å; K86-Y90 VanDerWaalsContact O-CD2 3.26Å; K86-Y90 WeakPolarHBondContact O-CD2 3.35Å; K86-Y90 WeakPolarHBondContact O-CE2 3.11Å; L87-Y90 PolarHBondContact O-N 3.35Å; L87-Y90 VanDerWaalsContact O-N 3.09Å; S88-Y90 VanDerWaalsContact C-N 3.26Å; S88-Y90 PolarHBondContact O-N 3.46Å; Y90-L112 HydrophobicContact CD1-CD1 4.35Å; Y90-L112 HydrophobicContact CD1-CD2 4.29Å; Y90-L112 HydrophobicContact CD2-CD1 4.08Å; Y90-L112 HydrophobicContact CD2-CD2 4.35Å; Y90-L112 HydrophobicContact CE1-CD2 3.86Å; Y90-L112 HydrophobicContact CE2-CD1 4.49Å; Y90-L112 HydrophobicContact CE2-CD2 3.96Å; Y90-L112 HydrophobicContact CG-CD1 4Å; Y90-L112 HydrophobicContact CG-CD2 4.5Å; Y90-E254 HydrophobicContact CE1-CB 4.47Å; Y90-E254 PolarHBondContact OH-OE2 3.33Å; Y90-A271 HydrophobicContact CD1-CB 3.76Å; Y90-A271 HydrophobicContact CE1-CB 3.99Å; Y90-Y273 HydrophobicContact CD1-CD2 4.3Å; Y90-Y273 HydrophobicContact CD2-CD2 4.3Å; Y90-Y273 AromaticContact CE1-CD2 3.94Å; Y90-Y273 HydrophobicContact CE1-CD2 3.94Å; Y90-Y273 HydrophobicContact CE1-CG 4.29Å; Y90-Y273 AromaticContact CE2-CD2 3.9Å; Y90-Y273 HydrophobicContact CE2-CD2 3.9Å; Y90-Y273 HydrophobicContact CE2-CE2 4.44Å; Y90-Y273 HydrophobicContact CG-CD2 4.49Å; Y90-Y273 AromaticContact CZ-CD2 3.72Å; Y90-R284 WeakPolarHBondContact O-CB 3.4Å; Y90-L285 WeakPolarHBondContact O-CD2 3.34Å |
| 91 | G | 73.1 | Confident | 79 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 107.6 | 2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | S88 R89 L281 L285 S331 | S88-G91 PolarHBondContact O-N 3.19Å; R89-G91 VanDerWaalsContact C-N 3.25Å; R89-G91 PolarHBondContact O-N 3.35Å; G91-L281 WeakPolarHBondContact CA-O 3.36Å; G91-L285 VanDerWaalsContact O-CD1 3.3Å; G91-L285 WeakPolarHBondContact O-CD1 3.18Å; G91-S331 PolarHBondContact O-OG 2.95Å |
| 92 | F | 79.4 | Confident | 79.4 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | trans | -81.2 | 148 | 177.9 | -63.5 | -75.4 | 0 | 0 | 0 | 112.7 | C97 L112 L115 L116 L285 | F92-C97 WeakPolarHBondContact CB-SG 3.44Å; F92-L112 HydrophobicContact CD2-CD1 4.42Å; F92-L112 HydrophobicContact CE2-CD1 3.81Å; F92-L115 HydrophobicContact CD1-CB 4.29Å; F92-L115 HydrophobicContact CD1-CD1 4.5Å; F92-L115 HydrophobicContact CD1-CD2 4.4Å; F92-L115 HydrophobicContact CD2-CD1 4.24Å; F92-L115 HydrophobicContact CE1-CB 3.91Å; F92-L115 HydrophobicContact CE2-CB 4.21Å; F92-L115 HydrophobicContact CG-CD1 4.18Å; F92-L115 HydrophobicContact CZ-CB 3.86Å; F92-L116 HydrophobicContact CE2-CD2 4.23Å; F92-L116 HydrophobicContact CE2-CG 4.48Å; F92-L116 HydrophobicContact CZ-CD2 3.85Å; F92-L116 HydrophobicContact CZ-CG 4.19Å; F92-L285 HydrophobicContact CD1-CD1 4.15Å; F92-L285 HydrophobicContact CD1-CD2 4.09Å; F92-L285 HydrophobicContact CD2-CD2 4.25Å; F92-L285 HydrophobicContact CE1-CD1 4.3Å; F92-L285 HydrophobicContact CE1-CD2 3.73Å; F92-L285 HydrophobicContact CE2-CD2 3.9Å; F92-L285 HydrophobicContact CG-CD2 4.34Å; F92-L285 HydrophobicContact CZ-CD2 3.62Å | ||
| 93 | N | 76.9 | Confident | 79.4 | Confident | 18 Ų | 18 | 46.6 Ų | 46.6 | 10% | 0.096 | 23% | 0.225 | C | C | . | . | trans | -65.9 | 141.2 | 173.4 | -175.6 | -80.3 | 0 | 0 | 0 | 111.8 | E95 R96 C97 Y330 | N93-E95 VanDerWaalsContact C-N 3.3Å; N93-E95 PolarHBondContact O-N 2.92Å; N93-E95 WeakPolarHBondContact OD1-CB 3.35Å; N93-E95 PolarHBondContact OD1-N 3.08Å; N93-R96 PolarHBondContact O-N 3.45Å; N93-C97 PolarHBondContact O-N 3.45Å; N93-C97 PolarHBondContact O-SG 2.97Å; N93-Y330 WeakPolarHBondContact CB-O 3.25Å; N93-Y330 PolarHBondContact N-O 3.44Å | ||
| 94 | T | 77.9 | Confident | 79.3 | Confident | 72 Ų | 72 | 47.8 Ų | 47.8 | 44% | 0.442 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.5 | -34.6 | -177.4 | 46.9 | 0 | 0 | 0 | 0 | 113.8 | V84 Q98 | V84-T94 HydrophobicContact CG1-CG2 4.09Å; T94-Q98 WeakPolarHBondContact O-CB 3.42Å; T94-Q98 PolarHBondContact O-N 3.43Å |
| 95 | E | 76.6 | Confident | 79.1 | Confident | 109 Ų | 109 | 53.2 Ų | 53.2 | 51% | 0.509 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -71.3 | -41.5 | 179.8 | -61.4 | 177.8 | 178.4 | 0 | 0 | 111.5 | N93 Q98 A99 | N93-E95 VanDerWaalsContact C-N 3.3Å; N93-E95 PolarHBondContact O-N 2.92Å; N93-E95 WeakPolarHBondContact OD1-CB 3.35Å; N93-E95 PolarHBondContact OD1-N 3.08Å; E95-Q98 PolarHBondContact O-N 3.23Å; E95-A99 PolarHBondContact O-N 3.09Å |
| 96 | R | 78 | Confident | 78.8 | Confident | 58 Ų | 58 | 50.6 Ų | 50.6 | 22% | 0.219 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.3 | -41.8 | 174.6 | -65.9 | -172.2 | -175.3 | -146.1 | 2.5 | 111.2 | N93 Q98 A99 V100 K329 | N93-R96 PolarHBondContact O-N 3.45Å; R96-Q98 VanDerWaalsContact C-N 3.3Å; R96-Q98 PolarHBondContact O-N 3.4Å; R96-A99 PolarHBondContact O-N 3.26Å; R96-V100 WeakPolarHBondContact O-CG2 3.35Å; R96-V100 PolarHBondContact O-N 3.07Å; R96-K329 PolarHBondContact NH2-O 3.49Å |
| 97 | C | 79.8 | Confident | 78.9 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.1 | -43.1 | 174.4 | -64.1 | 0 | 0 | 0 | 0 | 111.3 | V84 L87 F92 N93 L101 | V84-C97 HydrophobicContact CG1-CB 4.28Å; L87-C97 HydrophobicContact CB-CB 3.95Å; L87-C97 WeakPolarHBondContact CB-SG 3.43Å; L87-C97 HydrophobicContact CD1-CB 3.98Å; F92-C97 WeakPolarHBondContact CB-SG 3.44Å; N93-C97 PolarHBondContact O-N 3.45Å; N93-C97 PolarHBondContact O-SG 2.97Å; C97-L101 VanDerWaalsContact O-CB 3.3Å; C97-L101 WeakPolarHBondContact O-CB 3.45Å; C97-L101 WeakPolarHBondContact O-CD1 3.36Å; C97-L101 VanDerWaalsContact O-CG 3.24Å; C97-L101 WeakPolarHBondContact O-CG 3.44Å; C97-L101 PolarHBondContact O-N 3.18Å |
| 98 | Q | 79.1 | Confident | 78.9 | Confident | 74 Ų | 74 | 53.3 Ų | 53.3 | 35% | 0.346 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.4 | -40.2 | 179.1 | -167.2 | 179.5 | 12.8 | 0 | 0 | 112.1 | V79 T94 E95 R96 R102 | V79-Q98 HydrophobicContact CB-CG 4.2Å; V79-Q98 HydrophobicContact CG1-CG 4.25Å; V79-Q98 HydrophobicContact CG2-CG 3.96Å; T94-Q98 WeakPolarHBondContact O-CB 3.42Å; T94-Q98 PolarHBondContact O-N 3.43Å; E95-Q98 PolarHBondContact O-N 3.23Å; R96-Q98 VanDerWaalsContact C-N 3.3Å; R96-Q98 PolarHBondContact O-N 3.4Å; Q98-R102 WeakPolarHBondContact O-CG 3.39Å; Q98-R102 PolarHBondContact O-N 3.28Å; Q98-R102 VanDerWaalsContact O-N 3.16Å |
| 99 | A | 80.9 | Confident | 78.9 | Confident | 46 Ų | 46 | 52.7 Ų | 52.7 | 38% | 0.38 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.2 | -47 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | E95 R96 R102 M103 | E95-A99 PolarHBondContact O-N 3.09Å; R96-A99 PolarHBondContact O-N 3.26Å; A99-R102 WeakPolarHBondContact O-CB 3.35Å; A99-R102 PolarHBondContact O-N 3.18Å; A99-M103 PolarHBondContact O-N 3.1Å |
| 100 | V | 81.3 | Confident | 79 | Confident | 10 Ų | 10 | 50.6 Ų | 50.6 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.7 | -38.3 | 179.7 | 178.9 | 0 | 0 | 0 | 0 | 111.6 | R96 R102 M103 C104 H114 L115 | R96-V100 WeakPolarHBondContact O-CG2 3.35Å; R96-V100 PolarHBondContact O-N 3.07Å; V100-R102 PolarHBondContact O-N 3.48Å; V100-M103 WeakPolarHBondContact O-CA 3.5Å; V100-M103 WeakPolarHBondContact O-CB 3.46Å; V100-M103 PolarHBondContact O-N 3.48Å; V100-C104 PolarHBondContact O-N 3.35Å; V100-H114 HydrophobicContact CG1-CB 4.03Å; V100-L115 HydrophobicContact CB-CD2 4.36Å; V100-L115 HydrophobicContact CB-CG 4.28Å; V100-L115 HydrophobicContact CG1-CG 4.31Å; V100-L115 HydrophobicContact CG2-CD2 3.63Å; V100-L115 HydrophobicContact CG2-CG 4.01Å |
| 101 | L | 82.8 | Confident | 79.4 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.2 | -31 | 175.1 | -79.9 | 166.1 | 0 | 0 | 0 | 113.1 | V79 A83 V84 L87 C97 M103 D105 G106 S111 | V79-L101 HydrophobicContact CG1-CB 3.75Å; V79-L101 HydrophobicContact CG1-CD1 3.7Å; V79-L101 HydrophobicContact CG1-CG 4.36Å; A83-L101 HydrophobicContact CB-CD1 3.84Å; A83-L101 HydrophobicContact CB-CD2 4.09Å; V84-L101 HydrophobicContact CG2-CD1 3.68Å; L87-L101 HydrophobicContact CD1-CD1 3.7Å; L87-L101 HydrophobicContact CD1-CD2 4.08Å; L87-L101 HydrophobicContact CD1-CG 3.73Å; C97-L101 VanDerWaalsContact O-CB 3.3Å; C97-L101 WeakPolarHBondContact O-CB 3.45Å; C97-L101 WeakPolarHBondContact O-CD1 3.36Å; C97-L101 VanDerWaalsContact O-CG 3.24Å; C97-L101 WeakPolarHBondContact O-CG 3.44Å; C97-L101 PolarHBondContact O-N 3.18Å; L101-M103 VanDerWaalsContact C-N 3.33Å; L101-D105 PolarHBondContact O-N 3.38Å; L101-G106 PolarHBondContact O-N 2.68Å; L101-S111 WeakPolarHBondContact CD2-OG 3.24Å |
| 102 | R | 82.8 | Confident | 79.9 | Confident | 150 Ų | 150 | 50.4 Ų | 50.4 | 57% | 0.566 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -70.5 | -29.9 | 172.3 | -69.6 | 173.8 | -166.9 | 164.4 | 4.4 | 112.4 | V79 Q98 A99 V100 | V79-R102 HydrophobicContact CG2-CG 3.56Å; Q98-R102 WeakPolarHBondContact O-CG 3.39Å; Q98-R102 PolarHBondContact O-N 3.28Å; Q98-R102 VanDerWaalsContact O-N 3.16Å; A99-R102 WeakPolarHBondContact O-CB 3.35Å; A99-R102 PolarHBondContact O-N 3.18Å; V100-R102 PolarHBondContact O-N 3.48Å |
| 103 | M | 79.3 | Confident | 80.2 | Confident | 132 Ų | 132 | 52.6 Ų | 52.6 | 65% | 0.65 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -80.2 | -27.4 | 177.8 | -67.2 | 179.2 | 55.2 | 0 | 0 | 113 | A99 V100 L101 | A99-M103 PolarHBondContact O-N 3.1Å; V100-M103 WeakPolarHBondContact O-CA 3.5Å; V100-M103 WeakPolarHBondContact O-CB 3.46Å; V100-M103 PolarHBondContact O-N 3.48Å; L101-M103 VanDerWaalsContact C-N 3.33Å |
| 104 | C | 77.6 | Confident | 80.6 | Confident | 31 Ų | 31 | 55.9 Ų | 55.9 | 21% | 0.209 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | 23.7 | -177.7 | -61.4 | 0 | 0 | 0 | 0 | 113.2 | V100 G106 D107 A110 S111 | V100-C104 PolarHBondContact O-N 3.35Å; C104-G106 PolarHBondContact O-N 3.01Å; C104-D107 PolarHBondContact O-N 3.12Å; C104-A110 HydrophobicContact CB-CB 4.4Å; C104-S111 WeakPolarHBondContact CB-OG 3.23Å |
| 105 | D | 75.1 | Confident | 80.8 | Confident | 135 Ų | 135 | 52.5 Ų | 52.5 | 72% | 0.722 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 32 | 176.6 | -59.9 | -36.9 | 0 | 0 | 0 | 114.7 | L101 | L101-D105 PolarHBondContact O-N 3.38Š|
| 106 | G | 71.9 | Confident | 81.2 | Confident | 46 Ų | 46 | 47.4 Ų | 47.4 | 47% | 0.474 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85 | 4.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | L101 C104 V108 | L101-G106 PolarHBondContact O-N 2.68Å; C104-G106 PolarHBondContact O-N 3.01Å; G106-V108 PolarHBondContact O-N 2.9Å |
| 107 | D | 82.9 | Confident | 81.4 | Confident | 91 Ų | 91 | 47.2 Ų | 47.2 | 49% | 0.487 | 26% | 0.262 | S | S | . | . | trans | -74.7 | 115 | 173.1 | -173.6 | -15.4 | 0 | 0 | 0 | 111.2 | C104 G109 A110 S111 | C104-D107 PolarHBondContact O-N 3.12Å; D107-G109 PolarHBondContact OD1-N 2.98Å; D107-A110 HydrophobicContact CB-CB 4.06Å; D107-A110 PolarHBondContact OD1-N 3.33Å; D107-S111 VanDerWaalsContact O-CB 3.24Å; D107-S111 WeakPolarHBondContact O-CB 3.01Å; D107-S111 PolarHBondContact O-N 3.14Å; D107-S111 VanDerWaalsContact O-N 3.1Å; D107-S111 PolarHBondContact O-OG 3.16Å | ||
| 108 | V | 81.6 | Confident | 81.5 | Confident | 37 Ų | 37 | 50.5 Ų | 50.5 | 22% | 0.224 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.7 | -36.8 | 179.8 | -172.9 | 0 | 0 | 0 | 0 | 112 | A83 K86 L87 G106 L112 | A83-V108 HydrophobicContact CB-CG2 3.61Å; K86-V108 HydrophobicContact CD-CG1 4.26Å; L87-V108 HydrophobicContact CD2-CG1 3.87Å; L87-V108 HydrophobicContact CG-CG1 4.09Å; G106-V108 PolarHBondContact O-N 2.9Å; V108-L112 WeakPolarHBondContact O-CB 3.38Å; V108-L112 PolarHBondContact O-N 2.97Å |
| 109 | G | 81.9 | Confident | 81.5 | Confident | 11 Ų | 11 | 47 Ų | 47 | 11% | 0.113 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71.2 | -50.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D107 S111 L112 E113 | D107-G109 PolarHBondContact OD1-N 2.98Å; G109-S111 VanDerWaalsContact C-N 3.3Å; G109-S111 PolarHBondContact O-N 3.23Å; G109-L112 PolarHBondContact O-N 3.2Å; G109-E113 WeakPolarHBondContact O-CG 3.3Å; G109-E113 PolarHBondContact O-N 2.49Å |
| 110 | A | 82.8 | Confident | 81.4 | Confident | 35 Ų | 35 | 45 Ų | 45 | 29% | 0.289 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.9 | -38.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | C104 D107 L112 E113 H114 | C104-A110 HydrophobicContact CB-CB 4.4Å; D107-A110 HydrophobicContact CB-CB 4.06Å; D107-A110 PolarHBondContact OD1-N 3.33Å; A110-L112 PolarHBondContact O-N 3.42Å; A110-E113 PolarHBondContact O-N 3.31Å; A110-H114 WeakPolarHBondContact O-CB 3.45Å; A110-H114 PolarHBondContact O-N 3.23Å |
| 111 | S | 85.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 175.7 | -61.3 | 0 | 0 | 0 | 0 | 112.5 | L101 C104 D107 G109 H114 L115 | L101-S111 WeakPolarHBondContact CD2-OG 3.24Å; C104-S111 WeakPolarHBondContact CB-OG 3.23Å; D107-S111 VanDerWaalsContact O-CB 3.24Å; D107-S111 WeakPolarHBondContact O-CB 3.01Å; D107-S111 PolarHBondContact O-N 3.14Å; D107-S111 VanDerWaalsContact O-N 3.1Å; D107-S111 PolarHBondContact O-OG 3.16Å; G109-S111 VanDerWaalsContact C-N 3.3Å; G109-S111 PolarHBondContact O-N 3.23Å; S111-H114 PolarHBondContact O-N 3.3Å; S111-L115 WeakPolarHBondContact O-CB 3.47Å; S111-L115 VanDerWaalsContact O-CG 3.32Å; S111-L115 WeakPolarHBondContact O-CG 3.33Å; S111-L115 PolarHBondContact O-N 3.2Å |
| 112 | L | 84.4 | Confident | 80.5 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.9 | -43.8 | 177 | -178.8 | 61.2 | 0 | 0 | 0 | 111.4 | L87 Y90 F92 V108 G109 A110 H114 L115 L116 | L87-L112 HydrophobicContact CD2-CB 3.79Å; L87-L112 HydrophobicContact CD2-CD1 4.11Å; L87-L112 HydrophobicContact CD2-CG 4.45Å; Y90-L112 HydrophobicContact CD1-CD1 4.35Å; Y90-L112 HydrophobicContact CD1-CD2 4.29Å; Y90-L112 HydrophobicContact CD2-CD1 4.08Å; Y90-L112 HydrophobicContact CD2-CD2 4.35Å; Y90-L112 HydrophobicContact CE1-CD2 3.86Å; Y90-L112 HydrophobicContact CE2-CD1 4.49Å; Y90-L112 HydrophobicContact CE2-CD2 3.96Å; Y90-L112 HydrophobicContact CG-CD1 4Å; Y90-L112 HydrophobicContact CG-CD2 4.5Å; F92-L112 HydrophobicContact CD2-CD1 4.42Å; F92-L112 HydrophobicContact CE2-CD1 3.81Å; V108-L112 WeakPolarHBondContact O-CB 3.38Å; V108-L112 PolarHBondContact O-N 2.97Å; G109-L112 PolarHBondContact O-N 3.2Å; A110-L112 PolarHBondContact O-N 3.42Å; L112-H114 VanDerWaalsContact C-N 3.3Å; L112-H114 PolarHBondContact O-N 3.36Å; L112-L115 PolarHBondContact O-N 3.1Å; L112-L116 HydrophobicContact CD1-CD1 3.93Å; L112-L116 HydrophobicContact CD1-CG 4.1Å; L112-L116 HydrophobicContact CD2-CD1 4.47Å; L112-L116 HydrophobicContact CG-CD1 3.76Å; L112-L116 HydrophobicContact CG-CG 4.38Å; L112-L116 WeakPolarHBondContact O-CB 3.39Å; L112-L116 VanDerWaalsContact O-CG 3.29Å; L112-L116 WeakPolarHBondContact O-CG 3.44Å; L112-L116 PolarHBondContact O-N 3.25Å |
| 113 | E | 86.1 | Confident | 79.4 | Confident | 47 Ų | 47 | 48.4 Ų | 48.4 | 22% | 0.22 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 176 | -73.2 | 169.1 | -156.7 | 0 | 0 | 111.6 | G109 A110 T117 R256 L269 | G109-E113 WeakPolarHBondContact O-CG 3.3Å; G109-E113 PolarHBondContact O-N 2.49Å; A110-E113 PolarHBondContact O-N 3.31Å; E113-T117 WeakPolarHBondContact O-CB 3.36Å; E113-T117 PolarHBondContact O-N 3.32Å; E113-T117 PolarHBondContact O-OG1 3.41Å; E113-R256 IonicContact OE1-CZ 3.51Å; E113-R256 VanDerWaalsContact OE1-CZ 3.28Å; E113-R256 IonicContact OE1-NE 3.83Å; E113-R256 PolarHBondContact OE1-NE 3.4Å; E113-R256 IonicContact OE1-NH2 3.06Å; E113-R256 PolarHBondContact OE1-NH2 3.04Å; E113-L269 HydrophobicContact CB-CD1 4.13Å; E113-L269 HydrophobicContact CG-CD1 4.04Å |
| 114 | H | 84.2 | Confident | 78.8 | Confident | 87 Ų | 87 | 43.6 Ų | 43.6 | 40% | 0.403 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.3 | -46 | 177 | -166.3 | 76.1 | 0 | 0 | 0 | 112 | V100 A110 S111 L112 T117 Q118 | V100-H114 HydrophobicContact CG1-CB 4.03Å; A110-H114 WeakPolarHBondContact O-CB 3.45Å; A110-H114 PolarHBondContact O-N 3.23Å; S111-H114 PolarHBondContact O-N 3.3Å; L112-H114 VanDerWaalsContact C-N 3.3Å; L112-H114 PolarHBondContact O-N 3.36Å; H114-T117 PolarHBondContact O-N 2.94Å; H114-Q118 WeakPolarHBondContact O-CB 3.44Å; H114-Q118 PolarHBondContact O-N 3.02Å |
| 115 | L | 83.7 | Confident | 77.9 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.5 | -44 | 177.9 | -75.9 | 169 | 0 | 0 | 0 | 112.6 | L87 F92 V100 S111 L112 Q118 C119 | L87-L115 HydrophobicContact CD1-CD1 4.34Å; F92-L115 HydrophobicContact CD1-CB 4.29Å; F92-L115 HydrophobicContact CD1-CD1 4.5Å; F92-L115 HydrophobicContact CD1-CD2 4.4Å; F92-L115 HydrophobicContact CD2-CD1 4.24Å; F92-L115 HydrophobicContact CE1-CB 3.91Å; F92-L115 HydrophobicContact CE2-CB 4.21Å; F92-L115 HydrophobicContact CG-CD1 4.18Å; F92-L115 HydrophobicContact CZ-CB 3.86Å; V100-L115 HydrophobicContact CB-CD2 4.36Å; V100-L115 HydrophobicContact CB-CG 4.28Å; V100-L115 HydrophobicContact CG1-CG 4.31Å; V100-L115 HydrophobicContact CG2-CD2 3.63Å; V100-L115 HydrophobicContact CG2-CG 4.01Å; S111-L115 WeakPolarHBondContact O-CB 3.47Å; S111-L115 VanDerWaalsContact O-CG 3.32Å; S111-L115 WeakPolarHBondContact O-CG 3.33Å; S111-L115 PolarHBondContact O-N 3.2Å; L112-L115 PolarHBondContact O-N 3.1Å; L115-Q118 PolarHBondContact O-N 3.34Å; L115-C119 WeakPolarHBondContact O-CB 3.45Å; L115-C119 PolarHBondContact O-N 2.92Å |
| 116 | L | 84.2 | Confident | 77.2 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.9 | -44.6 | 177.6 | -71.5 | 167 | 0 | 0 | 0 | 111.1 | F92 L112 Q118 C119 F120 L269 A271 | F92-L116 HydrophobicContact CE2-CD2 4.23Å; F92-L116 HydrophobicContact CE2-CG 4.48Å; F92-L116 HydrophobicContact CZ-CD2 3.85Å; F92-L116 HydrophobicContact CZ-CG 4.19Å; L112-L116 HydrophobicContact CD1-CD1 3.93Å; L112-L116 HydrophobicContact CD1-CG 4.1Å; L112-L116 HydrophobicContact CD2-CD1 4.47Å; L112-L116 HydrophobicContact CG-CD1 3.76Å; L112-L116 HydrophobicContact CG-CG 4.38Å; L112-L116 WeakPolarHBondContact O-CB 3.39Å; L112-L116 VanDerWaalsContact O-CG 3.29Å; L112-L116 WeakPolarHBondContact O-CG 3.44Å; L112-L116 PolarHBondContact O-N 3.25Å; L116-Q118 VanDerWaalsContact C-N 3.29Å; L116-Q118 PolarHBondContact O-N 3.2Å; L116-C119 WeakPolarHBondContact O-CB 3.26Å; L116-C119 PolarHBondContact O-N 2.96Å; L116-F120 HydrophobicContact CB-CD2 4.22Å; L116-F120 HydrophobicContact CB-CE2 3.82Å; L116-F120 HydrophobicContact CB-CZ 4.44Å; L116-F120 HydrophobicContact CD2-CE2 3.95Å; L116-F120 HydrophobicContact CD2-CZ 3.75Å; L116-F120 HydrophobicContact CG-CE2 4.41Å; L116-F120 WeakPolarHBondContact O-CB 3.21Å; L116-F120 WeakPolarHBondContact O-CD2 3.29Å; L116-F120 WeakPolarHBondContact O-CG 3.5Å; L116-F120 PolarHBondContact O-N 3.25Å; L116-L269 HydrophobicContact CB-CD2 4.44Å; L116-A271 HydrophobicContact CD1-CB 3.82Å; L116-A271 HydrophobicContact CD2-CB 4.32Å |
| 117 | T | 82.9 | Confident | 76.6 | Confident | 54 Ų | 54 | 48.6 Ų | 48.6 | 33% | 0.331 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.5 | -43.1 | 175.8 | -59.6 | 0 | 0 | 0 | 0 | 110.8 | E113 H114 S121 M128 | E113-T117 WeakPolarHBondContact O-CB 3.36Å; E113-T117 PolarHBondContact O-N 3.32Å; E113-T117 PolarHBondContact O-OG1 3.41Å; H114-T117 PolarHBondContact O-N 2.94Å; T117-S121 WeakPolarHBondContact O-CB 3.31Å; T117-S121 PolarHBondContact O-N 2.84Å; T117-S121 PolarHBondContact O-OG 2.92Å; T117-M128 HydrophobicContact CG2-CE 3.91Å |
| 118 | Q | 81.7 | Confident | 75.8 | Confident | 70 Ų | 70 | 46.5 Ų | 46.5 | 33% | 0.327 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.8 | -47.9 | 175.6 | -167.7 | -177 | -14 | 0 | 0 | 111.2 | H114 L115 L116 F120 S121 E122 Y330 | H114-Q118 WeakPolarHBondContact O-CB 3.44Å; H114-Q118 PolarHBondContact O-N 3.02Å; L115-Q118 PolarHBondContact O-N 3.34Å; L116-Q118 VanDerWaalsContact C-N 3.29Å; L116-Q118 PolarHBondContact O-N 3.2Å; Q118-F120 PolarHBondContact O-N 3.06Å; Q118-S121 PolarHBondContact O-N 3.35Å; Q118-S121 PolarHBondContact O-OG 2.92Å; Q118-E122 PolarHBondContact O-N 3.28Å; Q118-Y330 HydrophobicContact CG-CE1 4.37Å |
| 119 | C | 78.6 | Confident | 74.8 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.7 | -47.9 | 178.5 | -163 | 0 | 0 | 0 | 0 | 112.3 | L115 L116 T123 E289 H328 Y330 | L115-C119 WeakPolarHBondContact O-CB 3.45Å; L115-C119 PolarHBondContact O-N 2.92Å; L116-C119 WeakPolarHBondContact O-CB 3.26Å; L116-C119 PolarHBondContact O-N 2.96Å; C119-T123 PolarHBondContact O-N 3.48Å; C119-T123 PolarHBondContact O-OG1 3.48Å; C119-E289 PolarHBondContact SG-OE1 3.25Å; C119-H328 VanDerWaalsContact SG-CE1 3.57Å; C119-Y330 HydrophobicContact CB-CE2 4.38Å |
| 120 | F | 78.6 | Confident | 73.7 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.009 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -76.6 | -29.9 | -177.6 | -58.5 | -32.3 | 0 | 0 | 0 | 113 | L116 Q118 E122 T123 F124 M128 L269 V270 E289 Y292 | L116-F120 HydrophobicContact CB-CD2 4.22Å; L116-F120 HydrophobicContact CB-CE2 3.82Å; L116-F120 HydrophobicContact CB-CZ 4.44Å; L116-F120 HydrophobicContact CD2-CE2 3.95Å; L116-F120 HydrophobicContact CD2-CZ 3.75Å; L116-F120 HydrophobicContact CG-CE2 4.41Å; L116-F120 WeakPolarHBondContact O-CB 3.21Å; L116-F120 WeakPolarHBondContact O-CD2 3.29Å; L116-F120 WeakPolarHBondContact O-CG 3.5Å; L116-F120 PolarHBondContact O-N 3.25Å; Q118-F120 PolarHBondContact O-N 3.06Å; F120-E122 VanDerWaalsContact C-N 3.33Å; F120-T123 WeakPolarHBondContact CA-OG1 3.35Å; F120-T123 PolarHBondContact O-N 3Å; F120-T123 PolarHBondContact O-OG1 3.45Å; F120-F124 HydrophobicContact CB-CD2 4.42Å; F120-F124 WeakPolarHBondContact O-CA 3.26Å; F120-F124 WeakPolarHBondContact O-CB 3.17Å; F120-F124 PolarHBondContact O-N 3.39Å; F120-M128 HydrophobicContact CB-SD 4.46Å; F120-L269 HydrophobicContact CD2-CD2 3.79Å; F120-L269 HydrophobicContact CE2-CD2 4.02Å; F120-V270 WeakPolarHBondContact CZ-O 3.43Å; F120-E289 HydrophobicContact CD1-CG 4.37Å; F120-E289 HydrophobicContact CE1-CG 4.13Å; F120-Y292 HydrophobicContact CB-CD1 3.89Å; F120-Y292 HydrophobicContact CB-CE1 3.68Å; F120-Y292 AromaticContact CD1-CD1 3.94Å; F120-Y292 HydrophobicContact CD1-CD1 3.94Å; F120-Y292 HydrophobicContact CD1-CG 4.09Å; F120-Y292 AromaticContact CD2-CD1 3.93Å; F120-Y292 HydrophobicContact CD2-CD1 3.93Å; F120-Y292 AromaticContact CD2-CD2 3.82Å; F120-Y292 HydrophobicContact CD2-CD2 3.82Å; F120-Y292 HydrophobicContact CD2-CE1 4.06Å; F120-Y292 AromaticContact CD2-CE2 3.97Å; F120-Y292 HydrophobicContact CD2-CE2 3.97Å; F120-Y292 AromaticContact CD2-CG 3.8Å; F120-Y292 HydrophobicContact CD2-CG 3.8Å; F120-Y292 HydrophobicContact CE1-CD1 4.46Å; F120-Y292 HydrophobicContact CE1-CG 4.18Å; F120-Y292 HydrophobicContact CE2-CD1 4.45Å; F120-Y292 AromaticContact CE2-CD2 3.81Å; F120-Y292 HydrophobicContact CE2-CD2 3.81Å; F120-Y292 HydrophobicContact CE2-CE2 4.32Å; F120-Y292 AromaticContact CE2-CG 3.88Å; F120-Y292 HydrophobicContact CE2-CG 3.88Å; F120-Y292 AromaticContact CG-CD1 3.65Å; F120-Y292 HydrophobicContact CG-CD1 3.65Å; F120-Y292 HydrophobicContact CG-CD2 4.39Å; F120-Y292 AromaticContact CG-CE1 3.88Å; F120-Y292 HydrophobicContact CG-CE1 3.88Å; F120-Y292 AromaticContact CG-CG 3.91Å; F120-Y292 HydrophobicContact CG-CG 3.91Å; F120-Y292 HydrophobicContact CZ-CD2 4.37Å; F120-Y292 HydrophobicContact CZ-CG 4.07Å |
| 121 | S | 74.5 | Confident | 72.5 | Confident | 52 Ų | 52 | 57.5 Ų | 57.5 | 36% | 0.364 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.8 | -34.5 | 175.7 | 69 | 0 | 0 | 0 | 0 | 112.2 | T117 Q118 T123 G125 | T117-S121 WeakPolarHBondContact O-CB 3.31Å; T117-S121 PolarHBondContact O-N 2.84Å; T117-S121 PolarHBondContact O-OG 2.92Å; Q118-S121 PolarHBondContact O-N 3.35Å; Q118-S121 PolarHBondContact O-OG 2.92Å; S121-T123 VanDerWaalsContact C-N 3.35Å; S121-G125 WeakPolarHBondContact O-CA 3.41Å; S121-G125 PolarHBondContact O-N 2.92Å |
| 122 | E | 69.7 | Low | 71.1 | Confident | 116 Ų | 116 | 65.7 Ų | 65.7 | 54% | 0.542 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -72.1 | -28.7 | 176.6 | -74.8 | -175.8 | -178.2 | 0 | 0 | 113 | Q118 F120 Y330 | Q118-E122 PolarHBondContact O-N 3.28Å; F120-E122 VanDerWaalsContact C-N 3.33Å; E122-Y330 PolarHBondContact OE1-OH 3.3Å; E122-Y330 WeakPolarHBondContact OE2-CE2 3.5Å; E122-Y330 PolarHBondContact OE2-OH 3.16Å |
| 123 | T | 61.3 | Low | 69.8 | Low | 66 Ų | 66 | 69 Ų | 69 | 41% | 0.405 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -96 | -31.5 | -178.2 | 45.1 | 0 | 0 | 0 | 0 | 113.5 | C119 F120 S121 E289 | C119-T123 PolarHBondContact O-N 3.48Å; C119-T123 PolarHBondContact O-OG1 3.48Å; F120-T123 WeakPolarHBondContact CA-OG1 3.35Å; F120-T123 PolarHBondContact O-N 3Å; F120-T123 PolarHBondContact O-OG1 3.45Å; S121-T123 VanDerWaalsContact C-N 3.35Å; T123-E289 WeakPolarHBondContact CG2-OE1 2.97Å |
| 124 | F | 65.8 | Low | 68.6 | Low | 32 Ų | 32 | 67.6 Ų | 67.6 | 14% | 0.14 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -132.7 | 12.5 | -169.5 | -54.2 | -62.7 | 0 | 0 | 0 | 114.2 | F120 E126 R127 M128 E289 Y292 D293 L296 | F120-F124 HydrophobicContact CB-CD2 4.42Å; F120-F124 WeakPolarHBondContact O-CA 3.26Å; F120-F124 WeakPolarHBondContact O-CB 3.17Å; F120-F124 PolarHBondContact O-N 3.39Å; F124-E126 PolarHBondContact O-N 2.99Å; F124-R127 PolarHBondContact O-N 2.88Å; F124-M128 PolarHBondContact O-N 3.33Å; F124-E289 HydrophobicContact CE2-CB 4.47Å; F124-Y292 AromaticContact CD2-CD1 3.75Å; F124-Y292 HydrophobicContact CD2-CD1 3.75Å; F124-Y292 HydrophobicContact CD2-CE1 4.16Å; F124-Y292 HydrophobicContact CE2-CD1 4.14Å; F124-D293 HydrophobicContact CE1-CB 4.14Å; F124-D293 HydrophobicContact CZ-CB 3.86Å; F124-L296 HydrophobicContact CB-CD1 4.06Å; F124-L296 HydrophobicContact CG-CD1 4.17Å |
| 125 | G | 59.3 | Low | 67.5 | Low | 30 Ų | 30 | 68 Ų | 68 | 31% | 0.309 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | -23.9 | -164.4 | 0 | 0 | 0 | 0 | 0 | 119 | S121 | S121-G125 WeakPolarHBondContact O-CA 3.41Å; S121-G125 PolarHBondContact O-N 2.92Å |
| 126 | E | 59.8 | Low | 66.5 | Low | 174 Ų | 174 | 76.3 Ų | 76.3 | 81% | 0.813 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -33.9 | 173 | -69.1 | -178.2 | 168.3 | 0 | 0 | 113.3 | F124 M128 | F124-E126 PolarHBondContact O-N 2.99Å; E126-M128 VanDerWaalsContact C-N 3.33Å |
| 127 | R | 59.8 | Low | 66 | Low | 112 Ų | 112 | 78 Ų | 78 | 42% | 0.423 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -16.7 | 177.9 | -66.2 | -166.7 | -75.6 | 155.2 | -8 | 113.5 | F124 K129 D293 L296 | F124-R127 PolarHBondContact O-N 2.88Å; R127-K129 VanDerWaalsContact C-N 3.33Å; R127-D293 IonicContact CZ-OD1 3.68Å; R127-D293 IonicContact NH1-OD1 2.71Å; R127-D293 PolarHBondContact NH1-OD1 3.49Å; R127-D293 IonicContact NH2-OD1 2.74Å; R127-D293 PolarHBondContact NH2-OD1 3.12Å; R127-L296 HydrophobicContact CB-CD1 4.08Å |
| 128 | M | 65.3 | Low | 65.7 | Low | 47 Ų | 47 | 77.7 Ų | 77.7 | 23% | 0.232 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -16.4 | 176 | -170 | 167.5 | -169.1 | 0 | 0 | 112.9 | T117 F120 F124 E126 I130 L269 Y292 | T117-M128 HydrophobicContact CG2-CE 3.91Å; F120-M128 HydrophobicContact CB-SD 4.46Å; F124-M128 PolarHBondContact O-N 3.33Å; E126-M128 VanDerWaalsContact C-N 3.33Å; M128-I130 PolarHBondContact O-N 3.06Å; M128-L269 HydrophobicContact CE-CD2 4.26Å; M128-Y292 WeakPolarHBondContact CG-OH 3.42Å |
| 129 | K | 60.7 | Low | 65.5 | Low | 163 Ų | 163 | 78.2 Ų | 78.2 | 71% | 0.709 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -73.2 | 117.8 | -179.8 | -69.2 | -178.6 | -177.7 | 175.8 | 0 | 109.8 | R127 S131 | R127-K129 VanDerWaalsContact C-N 3.33Å; K129-S131 PolarHBondContact O-N 3.42Å |
| 130 | I | 59.8 | Low | 65.5 | Low | 71 Ų | 71 | 84.2 Ų | 84.2 | 36% | 0.364 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 126.4 | 176.5 | -55.1 | 168.8 | 0 | 0 | 0 | 108.6 | M128 V134 Q266 | M128-I130 PolarHBondContact O-N 3.06Å; I130-V134 HydrophobicContact CG2-CB 3.68Å; I130-V134 HydrophobicContact CG2-CG1 3.89Å; I130-V134 HydrophobicContact CG2-CG2 4.41Å; I130-Q266 VanDerWaalsContact CD1-CD 3.5Å; I130-Q266 HydrophobicContact CD1-CG 4.38Å; I130-Q266 VanDerWaalsContact CD1-NE2 3.34Å; I130-Q266 HydrophobicContact CG1-CG 4.1Å |
| 131 | S | 57.6 | Low | 65.7 | Low | 81 Ų | 81 | 89.1 Ų | 89.1 | 57% | 0.566 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 140.8 | 174.1 | -172.7 | 0 | 0 | 0 | 0 | 110.2 | K129 A133 V134 | K129-S131 PolarHBondContact O-N 3.42Å; S131-A133 PolarHBondContact O-N 3.05Å; S131-V134 WeakPolarHBondContact O-CB 3.48Å; S131-V134 PolarHBondContact O-N 3.4Å |
| 132 | E | 56.1 | Low | 66.1 | Low | 171 Ų | 171 | 86.8 Ų | 86.8 | 80% | 0.799 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -54.5 | -26.4 | -177.6 | -67.8 | 176.9 | 168.8 | 0 | 0 | 113.2 | V134 N135 | E132-V134 VanDerWaalsContact C-N 3.28Å; E132-V134 PolarHBondContact O-N 2.96Å; E132-N135 WeakPolarHBondContact O-CB 3.41Å; E132-N135 PolarHBondContact O-N 3.19Å |
| 133 | A | 56.4 | Low | 66.8 | Low | 71 Ų | 71 | 84.6 Ų | 84.6 | 59% | 0.587 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -61.9 | -32.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | S131 N135 Q136 | S131-A133 PolarHBondContact O-N 3.05Å; A133-N135 VanDerWaalsContact C-N 3.33Å; A133-Q136 PolarHBondContact O-N 3.22Å |
| 134 | V | 60.5 | Low | 68.1 | Low | 18 Ų | 18 | 87.6 Ų | 87.6 | 11% | 0.109 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -75 | -27.6 | -179.7 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | I130 S131 E132 Q136 I137 K262 | I130-V134 HydrophobicContact CG2-CB 3.68Å; I130-V134 HydrophobicContact CG2-CG1 3.89Å; I130-V134 HydrophobicContact CG2-CG2 4.41Å; S131-V134 WeakPolarHBondContact O-CB 3.48Å; S131-V134 PolarHBondContact O-N 3.4Å; E132-V134 VanDerWaalsContact C-N 3.28Å; E132-V134 PolarHBondContact O-N 2.96Å; V134-Q136 PolarHBondContact O-N 3.34Å; V134-I137 HydrophobicContact CG1-CD1 4.4Å; V134-I137 PolarHBondContact O-N 3.44Å; V134-K262 HydrophobicContact CG1-CB 3.7Å; V134-K262 HydrophobicContact CG1-CD 3.68Å; V134-K262 HydrophobicContact CG1-CG 4.33Å; V134-K262 WeakPolarHBondContact O-CD 3.35Å; V134-K262 WeakPolarHBondContact O-CE 3.46Å; V134-K262 PolarHBondContact O-NZ 2.92Å |
| 135 | N | 62.3 | Low | 69 | Low | 94 Ų | 94 | 89.3 Ų | 89.3 | 50% | 0.503 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.4 | -22.7 | 177.7 | -71.9 | -22.6 | 0 | 0 | 0 | 113.3 | E132 A133 K262 | E132-N135 WeakPolarHBondContact O-CB 3.41Å; E132-N135 PolarHBondContact O-N 3.19Å; A133-N135 VanDerWaalsContact C-N 3.33Å; N135-K262 VanDerWaalsContact CA-NZ 3.34Å; N135-K262 PolarHBondContact O-NZ 2.88Å |
| 136 | Q | 62.1 | Low | 70.4 | Confident | 176 Ų | 176 | 88.2 Ų | 88.2 | 82% | 0.822 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -13.5 | 179.3 | -154.6 | 63.9 | 29.1 | 0 | 0 | 114.2 | A133 V134 | A133-Q136 PolarHBondContact O-N 3.22Å; V134-Q136 PolarHBondContact O-N 3.34Å |
| 137 | I | 73.6 | Confident | 71.7 | Confident | 38 Ų | 38 | 84.3 Ų | 84.3 | 20% | 0.195 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -72.8 | 137.6 | -178.7 | -55.2 | 173.7 | 0 | 0 | 0 | 109.9 | V134 K262 Y265 | V134-I137 HydrophobicContact CG1-CD1 4.4Å; V134-I137 PolarHBondContact O-N 3.44Å; I137-K262 PolarHBondContact O-NZ 2.49Å; I137-Y265 HydrophobicContact CD1-CD1 3.8Å; I137-Y265 HydrophobicContact CD1-CD2 3.62Å; I137-Y265 HydrophobicContact CD1-CE1 3.98Å; I137-Y265 HydrophobicContact CD1-CE2 3.81Å; I137-Y265 HydrophobicContact CD1-CG 3.62Å; I137-Y265 HydrophobicContact CG2-CD2 4.39Å; I137-Y265 HydrophobicContact CG2-CE2 4.02Å |
| 138 | S | 76.9 | Confident | 73.2 | Confident | 46 Ų | 46 | 85.4 Ų | 85.4 | 32% | 0.322 | 44% | 0.437 | S | S | . | . | trans | -64.8 | 139.1 | 178.3 | 77.5 | 0 | 0 | 0 | 0 | 110.5 | D140 E141 C142 | S138-D140 PolarHBondContact O-N 2.79Å; S138-E141 WeakPolarHBondContact OG-CB 3.46Å; S138-E141 WeakPolarHBondContact OG-CG 3.47Å; S138-E141 PolarHBondContact OG-N 3.38Å; S138-E141 PolarHBondContact OG-OE2 2.93Å; S138-C142 PolarHBondContact O-SG 3.19Å; S138-C142 VanDerWaalsContact O-SG 3.4Å | ||
| 139 | L | 77.5 | Confident | 74.4 | Confident | 82 Ų | 82 | 84 Ų | 84 | 43% | 0.429 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67.7 | -30.6 | 178.3 | -70.1 | 172.6 | 0 | 0 | 0 | 111 | C142 M143 K262 | L139-C142 WeakPolarHBondContact O-CB 3.36Å; L139-C142 PolarHBondContact O-N 3.31Å; L139-M143 VanDerWaalsContact O-CG 3.23Å; L139-M143 WeakPolarHBondContact O-CG 3.38Å; L139-M143 PolarHBondContact O-N 3.32Å; L139-K262 HydrophobicContact CD2-CG 4.23Å |
| 140 | D | 79.3 | Confident | 75.8 | Confident | 126 Ų | 126 | 76.4 Ų | 76.4 | 67% | 0.674 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -66.9 | -43.9 | -176.9 | -60.8 | -27.7 | 0 | 0 | 0 | 112 | S138 C142 M143 E144 | S138-D140 PolarHBondContact O-N 2.79Å; D140-C142 VanDerWaalsContact C-N 3.29Å; D140-C142 PolarHBondContact O-N 3.3Å; D140-M143 WeakPolarHBondContact O-CB 3.25Å; D140-M143 PolarHBondContact O-N 2.97Å; D140-M143 VanDerWaalsContact O-N 3.1Å; D140-E144 PolarHBondContact O-N 3.41Å |
| 141 | E | 82.4 | Confident | 77.2 | Confident | 106 Ų | 106 | 80.2 Ų | 80.2 | 50% | 0.495 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.5 | -37.2 | 174.8 | -71.9 | 164.8 | 157.1 | 0 | 0 | 111.9 | S138 M143 E144 Q145 | S138-E141 WeakPolarHBondContact OG-CB 3.46Å; S138-E141 WeakPolarHBondContact OG-CG 3.47Å; S138-E141 PolarHBondContact OG-N 3.38Å; S138-E141 PolarHBondContact OG-OE2 2.93Å; E141-M143 VanDerWaalsContact C-N 3.3Å; E141-M143 PolarHBondContact O-N 3.26Å; E141-E144 PolarHBondContact O-N 3.35Å; E141-Q145 WeakPolarHBondContact O-CG 3.34Å; E141-Q145 PolarHBondContact O-N 3.46Å; E141-Q145 VanDerWaalsContact O-N 3.1Å |
| 142 | C | 83.1 | Confident | 78.8 | Confident | 2 Ų | 2 | 78.3 Ų | 78.3 | 1% | 0.014 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -66.4 | -35.6 | 176.3 | -64.5 | 0 | 0 | 0 | 0 | 111.6 | S138 L139 D140 R146 Y263 | S138-C142 PolarHBondContact O-SG 3.19Å; S138-C142 VanDerWaalsContact O-SG 3.4Å; L139-C142 WeakPolarHBondContact O-CB 3.36Å; L139-C142 PolarHBondContact O-N 3.31Å; D140-C142 VanDerWaalsContact C-N 3.29Å; D140-C142 PolarHBondContact O-N 3.3Å; C142-R146 VanDerWaalsContact O-CB 3.31Å; C142-R146 WeakPolarHBondContact O-CB 3.4Å; C142-R146 PolarHBondContact O-N 3.18Å; C142-Y263 VanDerWaalsContact CB-O 3.31Å; C142-Y263 WeakPolarHBondContact CB-O 3.43Å |
| 143 | M | 84.1 | Confident | 80.4 | Confident | 71 Ų | 71 | 70.2 Ų | 70.2 | 35% | 0.35 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71 | -39.6 | 177.9 | -69.1 | -68.3 | -66.3 | 0 | 0 | 111.5 | L139 D140 E141 R146 Q147 N167 | L139-M143 VanDerWaalsContact O-CG 3.23Å; L139-M143 WeakPolarHBondContact O-CG 3.38Å; L139-M143 PolarHBondContact O-N 3.32Å; D140-M143 WeakPolarHBondContact O-CB 3.25Å; D140-M143 PolarHBondContact O-N 2.97Å; D140-M143 VanDerWaalsContact O-N 3.1Å; E141-M143 VanDerWaalsContact C-N 3.3Å; E141-M143 PolarHBondContact O-N 3.26Å; M143-R146 PolarHBondContact O-N 3.31Å; M143-Q147 WeakPolarHBondContact O-CB 3.35Å; M143-Q147 PolarHBondContact O-N 2.97Å; M143-N167 HydrophobicContact CE-CB 3.67Å; M143-N167 WeakPolarHBondContact CE-ND2 3.39Å; M143-N167 HydrophobicContact SD-CB 4.43Å |
| 144 | E | 87.2 | Confident | 81.8 | Confident | 128 Ų | 128 | 73.6 Ų | 73.6 | 60% | 0.598 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60.4 | -50.7 | 173.5 | -71 | -177 | 167.4 | 0 | 0 | 111.2 | D140 E141 R146 Q147 E148 | D140-E144 PolarHBondContact O-N 3.41Å; E141-E144 PolarHBondContact O-N 3.35Å; E144-R146 VanDerWaalsContact C-N 3.3Å; E144-R146 PolarHBondContact O-N 2.87Å; E144-Q147 PolarHBondContact O-N 3.32Å; E144-E148 WeakPolarHBondContact O-CG 3.38Å; E144-E148 PolarHBondContact O-N 3.14Å |
| 145 | Q | 85.9 | Confident | 83.3 | Confident | 68 Ų | 68 | 77.4 Ų | 77.4 | 32% | 0.318 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.5 | -39.3 | 178 | -70.7 | 179.1 | 0.5 | 0 | 0 | 112.6 | E141 E148 E149 | E141-Q145 WeakPolarHBondContact O-CG 3.34Å; E141-Q145 PolarHBondContact O-N 3.46Å; E141-Q145 VanDerWaalsContact O-N 3.1Å; Q145-E148 PolarHBondContact O-N 3.3Å; Q145-E149 PolarHBondContact O-N 3.46Å; Q145-E149 VanDerWaalsContact O-N 3.07Å |
| 146 | R | 88.3 | Confident | 84.5 | Confident | 7 Ų | 7 | 77.4 Ų | 77.4 | 3% | 0.026 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 174.1 | -178.6 | 178.5 | -60.1 | 169.4 | 13.7 | 111.4 | C142 M143 E144 E149 A150 N167 W170 H261 Y263 | C142-R146 VanDerWaalsContact O-CB 3.31Å; C142-R146 WeakPolarHBondContact O-CB 3.4Å; C142-R146 PolarHBondContact O-N 3.18Å; M143-R146 PolarHBondContact O-N 3.31Å; E144-R146 VanDerWaalsContact C-N 3.3Å; E144-R146 PolarHBondContact O-N 2.87Å; R146-E149 PolarHBondContact O-N 3.46Å; R146-A150 WeakPolarHBondContact O-CB 3.46Å; R146-A150 PolarHBondContact O-N 3Å; R146-N167 PolarHBondContact NH1-O 3.46Å; R146-W170 HydrophobicContact CG-CH2 3.63Å; R146-W170 HydrophobicContact CG-CZ2 3.37Å; R146-W170 VanDerWaalsContact O-CH2 3.28Å; R146-W170 WeakPolarHBondContact O-CH2 3.36Å; R146-W170 WeakPolarHBondContact O-CZ2 3.3Å; R146-H261 PolarHBondContact NH2-O 3.19Å; R146-Y263 HydrophobicContact CB-CD1 4.32Å |
| 147 | Q | 87.8 | Confident | 85.3 | Confident | 93 Ų | 93 | 70.1 Ų | 70.1 | 44% | 0.435 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -70.2 | -37.4 | -179.1 | -172.9 | 58.7 | 70.7 | 0 | 0 | 112.3 | M143 E144 A150 F151 | M143-Q147 WeakPolarHBondContact O-CB 3.35Å; M143-Q147 PolarHBondContact O-N 2.97Å; E144-Q147 PolarHBondContact O-N 3.32Å; Q147-A150 PolarHBondContact O-N 3.04Å; Q147-F151 WeakPolarHBondContact O-CB 3.25Å; Q147-F151 PolarHBondContact O-N 3.29Å |
| 148 | E | 90.5 | Very high | 85.8 | Confident | 135 Ų | 135 | 70 Ų | 70 | 63% | 0.631 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.5 | -46 | 173.7 | -73.7 | -179.4 | 177.3 | 0 | 0 | 111.3 | E144 Q145 F151 A152 | E144-E148 WeakPolarHBondContact O-CG 3.38Å; E144-E148 PolarHBondContact O-N 3.14Å; Q145-E148 PolarHBondContact O-N 3.3Å; E148-F151 PolarHBondContact O-N 3.05Å; E148-A152 PolarHBondContact O-N 2.79Å |
| 149 | E | 91.5 | Very high | 85.9 | Confident | 16 Ų | 16 | 76.4 Ų | 76.4 | 8% | 0.075 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 176.3 | -169.8 | -176 | -164.7 | 0 | 0 | 111.7 | Q145 R146 F151 A152 L153 W170 Y263 P304 V305 V306 | Q145-E149 PolarHBondContact O-N 3.46Å; Q145-E149 VanDerWaalsContact O-N 3.07Å; R146-E149 PolarHBondContact O-N 3.46Å; E149-F151 PolarHBondContact O-N 2.84Å; E149-A152 PolarHBondContact O-N 3.28Å; E149-A152 VanDerWaalsContact O-N 3.15Å; E149-L153 HydrophobicContact CG-CD1 4.05Å; E149-L153 HydrophobicContact CG-CG 4.22Å; E149-L153 WeakPolarHBondContact O-CB 3.34Å; E149-L153 VanDerWaalsContact O-CG 3.3Å; E149-L153 WeakPolarHBondContact O-CG 3.4Å; E149-L153 PolarHBondContact O-N 2.92Å; E149-W170 HydrophobicContact CB-CH2 4.49Å; E149-Y263 PolarHBondContact OE1-OH 3.36Å; E149-Y263 WeakPolarHBondContact OE2-CE1 3.46Å; E149-Y263 PolarHBondContact OE2-OH 3.46Å; E149-P304 HydrophobicContact CB-CB 4.44Å; E149-P304 HydrophobicContact CG-CB 3.93Å; E149-P304 VanDerWaalsContact OE1-CB 3.28Å; E149-P304 WeakPolarHBondContact OE1-CB 3.35Å; E149-V305 PolarHBondContact OE1-N 2.88Å; E149-V306 VanDerWaalsContact OE1-CB 3.28Å; E149-V306 WeakPolarHBondContact OE1-CB 3.46Å; E149-V306 WeakPolarHBondContact OE1-CG2 3.12Å; E149-V306 PolarHBondContact OE1-N 3.29Å |
| 150 | A | 89 | Confident | 86.1 | Confident | 4 Ų | 4 | 75.8 Ų | 75.8 | 3% | 0.033 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -56.9 | -41.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R146 Q147 L153 K154 F161 W170 | R146-A150 WeakPolarHBondContact O-CB 3.46Å; R146-A150 PolarHBondContact O-N 3Å; Q147-A150 PolarHBondContact O-N 3.04Å; A150-L153 PolarHBondContact O-N 3.13Å; A150-K154 WeakPolarHBondContact O-CB 3.5Å; A150-K154 PolarHBondContact O-N 3.35Å; A150-F161 HydrophobicContact CB-CZ 4.25Å; A150-W170 HydrophobicContact CB-CH2 3.97Å; A150-W170 HydrophobicContact CB-CZ2 3.61Å |
| 151 | F | 89.4 | Confident | 86.5 | Confident | 151 Ų | 151 | 70.8 Ų | 70.8 | 66% | 0.662 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -66 | -44.3 | 176.5 | -176.5 | -95.9 | 0 | 0 | 0 | 111.9 | Q147 E148 E149 K154 S155 | Q147-F151 WeakPolarHBondContact O-CB 3.25Å; Q147-F151 PolarHBondContact O-N 3.29Å; E148-F151 PolarHBondContact O-N 3.05Å; E149-F151 PolarHBondContact O-N 2.84Å; F151-K154 PolarHBondContact O-N 2.97Å; F151-S155 PolarHBondContact O-N 3.14Å |
| 152 | A | 90.9 | Very high | 86.6 | Confident | 41 Ų | 41 | 68.2 Ų | 68.2 | 34% | 0.339 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.3 | -46.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E148 E149 K154 S155 I156 | E148-A152 PolarHBondContact O-N 2.79Å; E149-A152 PolarHBondContact O-N 3.28Å; E149-A152 VanDerWaalsContact O-N 3.15Å; A152-K154 PolarHBondContact O-N 3.24Å; A152-S155 WeakPolarHBondContact O-CA 3.26Å; A152-S155 WeakPolarHBondContact O-CB 3.32Å; A152-S155 PolarHBondContact O-N 2.84Å; A152-S155 VanDerWaalsContact O-N 3.08Å; A152-I156 VanDerWaalsContact O-CG1 3.26Å; A152-I156 WeakPolarHBondContact O-CG1 3.47Å; A152-I156 PolarHBondContact O-N 3.49Å |
| 153 | L | 88.9 | Confident | 86.7 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 177.1 | -70.5 | 170.4 | 0 | 0 | 0 | 112.1 | E149 A150 S155 I156 C157 F161 W170 V306 Y307 I310 | E149-L153 HydrophobicContact CG-CD1 4.05Å; E149-L153 HydrophobicContact CG-CG 4.22Å; E149-L153 WeakPolarHBondContact O-CB 3.34Å; E149-L153 VanDerWaalsContact O-CG 3.3Å; E149-L153 WeakPolarHBondContact O-CG 3.4Å; E149-L153 PolarHBondContact O-N 2.92Å; A150-L153 PolarHBondContact O-N 3.13Å; L153-S155 PolarHBondContact O-N 3.07Å; L153-I156 PolarHBondContact O-N 3.48Å; L153-C157 WeakPolarHBondContact O-CA 3.29Å; L153-C157 VanDerWaalsContact O-CB 3.3Å; L153-C157 WeakPolarHBondContact O-CB 3.49Å; L153-C157 PolarHBondContact O-N 3.17Å; L153-F161 HydrophobicContact CB-CD2 3.91Å; L153-F161 HydrophobicContact CB-CE2 4.17Å; L153-F161 HydrophobicContact CB-CG 4.22Å; L153-F161 HydrophobicContact CD1-CD2 4.13Å; L153-F161 HydrophobicContact CD1-CE2 3.81Å; L153-W170 HydrophobicContact CD1-CE3 4.13Å; L153-W170 HydrophobicContact CD1-CZ3 3.94Å; L153-V306 HydrophobicContact CD1-CB 3.76Å; L153-V306 HydrophobicContact CD1-CG1 3.47Å; L153-V306 VanDerWaalsContact CD1-CG1 3.47Å; L153-V306 HydrophobicContact CD1-CG2 4.38Å; L153-V306 HydrophobicContact CD2-CB 4.39Å; L153-V306 HydrophobicContact CD2-CG1 4.02Å; L153-V306 HydrophobicContact CG-CG1 4.4Å; L153-Y307 HydrophobicContact CD2-CD2 4.4Å; L153-I310 HydrophobicContact CD2-CD1 4.18Å |
| 154 | K | 87.8 | Confident | 86.6 | Confident | 142 Ų | 142 | 71.5 Ų | 71.5 | 62% | 0.617 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.3 | -35.8 | 173.8 | -171.6 | 173.6 | -175.8 | 174 | 0 | 111.6 | A150 F151 A152 G158 F161 | A150-K154 WeakPolarHBondContact O-CB 3.5Å; A150-K154 PolarHBondContact O-N 3.35Å; F151-K154 PolarHBondContact O-N 2.97Å; A152-K154 PolarHBondContact O-N 3.24Å; K154-G158 WeakPolarHBondContact O-CA 3.21Å; K154-G158 PolarHBondContact O-N 2.98Å; K154-G158 VanDerWaalsContact O-N 3.13Å; K154-F161 HydrophobicContact CB-CD1 4.33Å |
| 155 | S | 90.6 | Very high | 86.3 | Confident | 98 Ų | 98 | 69.3 Ų | 69.3 | 69% | 0.685 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -73 | -35.1 | 175.2 | -171.1 | 0 | 0 | 0 | 0 | 113.2 | F151 A152 L153 | F151-S155 PolarHBondContact O-N 3.14Å; A152-S155 WeakPolarHBondContact O-CA 3.26Å; A152-S155 WeakPolarHBondContact O-CB 3.32Å; A152-S155 PolarHBondContact O-N 2.84Å; A152-S155 VanDerWaalsContact O-N 3.08Å; L153-S155 PolarHBondContact O-N 3.07Å |
| 156 | I | 87.3 | Confident | 85.8 | Confident | 95 Ų | 95 | 73.5 Ų | 73.5 | 49% | 0.487 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -85.7 | -51.6 | -175.1 | -63.5 | 161.9 | 0 | 0 | 0 | 111.3 | A152 L153 Y307 | A152-I156 VanDerWaalsContact O-CG1 3.26Å; A152-I156 WeakPolarHBondContact O-CG1 3.47Å; A152-I156 PolarHBondContact O-N 3.49Å; L153-I156 PolarHBondContact O-N 3.48Å; I156-Y307 HydrophobicContact CB-CE2 4.5Å; I156-Y307 HydrophobicContact CD1-CD2 4.19Å; I156-Y307 HydrophobicContact CD1-CE2 4.32Å; I156-Y307 HydrophobicContact CG2-CD2 4.04Å; I156-Y307 HydrophobicContact CG2-CE2 3.44Å; I156-Y307 VanDerWaalsContact CG2-CE2 3.44Å |
| 157 | C | 79.1 | Confident | 85.4 | Confident | 22 Ų | 22 | 75.3 Ų | 75.3 | 15% | 0.149 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -86.3 | -13.9 | -176.4 | -60.1 | 0 | 0 | 0 | 0 | 112.5 | L153 E159 K160 F161 | L153-C157 WeakPolarHBondContact O-CA 3.29Å; L153-C157 VanDerWaalsContact O-CB 3.3Å; L153-C157 WeakPolarHBondContact O-CB 3.49Å; L153-C157 PolarHBondContact O-N 3.17Å; C157-E159 PolarHBondContact O-N 2.89Å; C157-K160 HydrophobicContact CB-CB 4.24Å; C157-K160 VanDerWaalsContact O-CB 3.29Å; C157-K160 WeakPolarHBondContact O-CB 3.49Å; C157-K160 WeakPolarHBondContact O-CG 3.3Å; C157-K160 PolarHBondContact O-N 3.33Å; C157-F161 HydrophobicContact CB-CB 4.03Å |
| 158 | G | 83.8 | Confident | 85.1 | Confident | 35 Ų | 35 | 76 Ų | 76 | 36% | 0.361 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | 57.3 | -125.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | K154 K160 F161 | K154-G158 WeakPolarHBondContact O-CA 3.21Å; K154-G158 PolarHBondContact O-N 2.98Å; K154-G158 VanDerWaalsContact O-N 3.13Å; G158-K160 PolarHBondContact O-N 3.42Å; G158-F161 PolarHBondContact O-N 3.4Å |
| 159 | E | 79.6 | Confident | 84.9 | Confident | 181 Ų | 181 | 69.8 Ų | 69.8 | 85% | 0.846 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -69.4 | -10.7 | -179.8 | -62.2 | 174.1 | -176.3 | 0 | 0 | 114 | C157 F161 | C157-E159 PolarHBondContact O-N 2.89Å; E159-F161 VanDerWaalsContact C-N 3.34Å |
| 160 | K | 82.3 | Confident | 84.9 | Confident | 69 Ų | 69 | 69 Ų | 69 | 30% | 0.3 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -76 | -24.1 | 177.5 | -59.6 | -179.4 | 176.5 | -172.2 | 0 | 112.4 | C157 G158 I172 G173 E175 F249 | C157-K160 HydrophobicContact CB-CB 4.24Å; C157-K160 VanDerWaalsContact O-CB 3.29Å; C157-K160 WeakPolarHBondContact O-CB 3.49Å; C157-K160 WeakPolarHBondContact O-CG 3.3Å; C157-K160 PolarHBondContact O-N 3.33Å; G158-K160 PolarHBondContact O-N 3.42Å; K160-I172 CarbonylContact O-C 3.52Å; K160-I172 WeakPolarHBondContact O-CA 3.17Å; K160-G173 PolarHBondContact O-N 2.95Å; K160-E175 WeakPolarHBondContact CE-OE1 3.09Å; K160-E175 IonicContact NZ-OE1 3.72Å; K160-E175 PolarHBondContact NZ-OE1 3.14Å; K160-E175 IonicContact NZ-OE2 3.9Å; K160-F249 HydrophobicContact CB-CZ 4.42Å; K160-F249 HydrophobicContact CG-CE1 4.28Å; K160-F249 HydrophobicContact CG-CE2 4.38Å; K160-F249 HydrophobicContact CG-CZ 3.75Å |
| 161 | F | 86.9 | Confident | 84.8 | Confident | 21 Ų | 21 | 69 Ų | 69 | 9% | 0.092 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 123.6 | 178.7 | 175.9 | -91.7 | 0 | 0 | 0 | 110.5 | A150 L153 K154 C157 G158 E159 E163 W170 I172 | A150-F161 HydrophobicContact CB-CZ 4.25Å; L153-F161 HydrophobicContact CB-CD2 3.91Å; L153-F161 HydrophobicContact CB-CE2 4.17Å; L153-F161 HydrophobicContact CB-CG 4.22Å; L153-F161 HydrophobicContact CD1-CD2 4.13Å; L153-F161 HydrophobicContact CD1-CE2 3.81Å; K154-F161 HydrophobicContact CB-CD1 4.33Å; C157-F161 HydrophobicContact CB-CB 4.03Å; G158-F161 PolarHBondContact O-N 3.4Å; E159-F161 VanDerWaalsContact C-N 3.34Å; F161-E163 HydrophobicContact CE1-CB 4.26Å; F161-E163 HydrophobicContact CZ-CB 4.48Å; F161-W170 HydrophobicContact CE2-CB 3.87Å; F161-W170 AromaticContact CE2-CD2 3.88Å; F161-W170 HydrophobicContact CE2-CD2 3.88Å; F161-W170 AromaticContact CE2-CE3 4Å; F161-W170 HydrophobicContact CE2-CE3 4Å; F161-W170 AromaticContact CE2-CG 3.85Å; F161-W170 HydrophobicContact CE2-CG 3.85Å; F161-W170 HydrophobicContact CZ-CB 4.25Å; F161-W170 AromaticContact CZ-CD2 3.84Å; F161-W170 HydrophobicContact CZ-CD2 3.84Å; F161-W170 HydrophobicContact CZ-CE3 4.3Å; F161-W170 AromaticContact CZ-CG 3.81Å; F161-W170 HydrophobicContact CZ-CG 3.81Å; F161-I172 HydrophobicContact CD2-CD1 4.32Å; F161-I172 HydrophobicContact CD2-CG1 3.71Å; F161-I172 HydrophobicContact CE2-CG1 4.43Å |
| 162 | I | 83.8 | Confident | 84.7 | Confident | 53 Ų | 53 | 61.8 Ų | 61.8 | 27% | 0.272 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 119.5 | 179 | -56.6 | 173.4 | 0 | 0 | 0 | 108.6 | R164 T171 | I162-R164 HydrophobicContact CG2-CG 4.13Å; I162-R164 PolarHBondContact O-N 2.77Å; I162-T171 PolarHBondContact N-O 3.48Å; I162-T171 PolarHBondContact O-N 2.91Å |
| 163 | E | 86.9 | Confident | 84.4 | Confident | 59 Ų | 59 | 60 Ų | 60 | 28% | 0.276 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 95.1 | 168.8 | -179.8 | 163.9 | -144.7 | 0 | 0 | 109.2 | F161 Q166 N167 W170 | F161-E163 HydrophobicContact CE1-CB 4.26Å; F161-E163 HydrophobicContact CZ-CB 4.48Å; E163-Q166 WeakPolarHBondContact OE1-CA 3.34Å; E163-N167 PolarHBondContact OE1-N 3.37Å; E163-W170 PolarHBondContact OE1-NE1 2.81Å |
| 164 | R | 81.1 | Confident | 84 | Confident | 82 Ų | 82 | 60.3 Ų | 60.3 | 31% | 0.309 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | -39.9 | -178.1 | -74.7 | -172 | 170.2 | 124.8 | -4.4 | 111.8 | I162 V169 T171 D246 E252 | I162-R164 HydrophobicContact CG2-CG 4.13Å; I162-R164 PolarHBondContact O-N 2.77Å; R164-V169 PolarHBondContact N-O 2.91Å; R164-T171 PolarHBondContact NH1-OG1 2.8Å; R164-D246 IonicContact CZ-OD2 2.8Å; R164-D246 IonicContact NE-OD2 2.76Å; R164-D246 IonicContact NH2-OD1 2.78Å; R164-D246 IonicContact NH2-OD2 3.92Å; R164-D246 PolarHBondContact NH2-OD2 2.8Å; R164-E252 IonicContact CZ-OE2 3.74Å; R164-E252 IonicContact NH1-OE2 3.98Å; R164-E252 PolarHBondContact NH1-OE2 2.94Å; R164-E252 IonicContact NH2-OE2 3.94Å; R164-E252 PolarHBondContact NH2-OE2 3.1Å |
| 165 | I | 81.5 | Confident | 83.6 | Confident | 83 Ų | 83 | 58.9 Ų | 58.9 | 43% | 0.426 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 118.4 | 175.3 | -52.5 | 179 | 0 | 0 | 0 | 107.5 | N167 R168 V169 | I165-N167 PolarHBondContact O-N 3.13Å; I165-R168 HydrophobicContact CB-CB 4.04Å; I165-R168 HydrophobicContact CG2-CB 3.76Å; I165-R168 HydrophobicContact CG2-CG 4.23Å; I165-R168 PolarHBondContact O-N 2.79Å; I165-V169 HydrophobicContact CB-CB 4.1Å; I165-V169 HydrophobicContact CB-CG2 4.21Å; I165-V169 HydrophobicContact CD1-CB 4.42Å; I165-V169 HydrophobicContact CD1-CG2 3.88Å; I165-V169 HydrophobicContact CG1-CB 4.22Å; I165-V169 HydrophobicContact CG1-CG2 4.21Å; I165-V169 PolarHBondContact N-O 3.17Å; I165-V169 PolarHBondContact O-N 3.08Å |
| 166 | Q | 76.1 | Confident | 83 | Confident | 156 Ų | 156 | 54.4 Ų | 54.4 | 73% | 0.729 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 126.7 | 179.9 | -71.2 | 178.6 | -5.8 | 0 | 0 | 111 | E163 R168 | E163-Q166 WeakPolarHBondContact OE1-CA 3.34Å; Q166-R168 PolarHBondContact O-N 3.03Å |
| 167 | N | 78.1 | Confident | 82 | Confident | 45 Ų | 45 | 55.2 Ų | 55.2 | 24% | 0.241 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 13.4 | 179 | -60.1 | -54.1 | 0 | 0 | 0 | 115.4 | M143 R146 E163 I165 | M143-N167 HydrophobicContact CE-CB 3.67Å; M143-N167 WeakPolarHBondContact CE-ND2 3.39Å; M143-N167 HydrophobicContact SD-CB 4.43Å; R146-N167 PolarHBondContact NH1-O 3.46Å; E163-N167 PolarHBondContact OE1-N 3.37Å; I165-N167 PolarHBondContact O-N 3.13Å |
| 168 | R | 82.2 | Confident | 81.6 | Confident | 108 Ų | 108 | 55.7 Ų | 55.7 | 41% | 0.408 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.1 | -44 | -178.8 | -69.1 | -165.4 | -175 | 164.1 | 11.3 | 114.7 | I165 Q166 R256 F257 K259 | I165-R168 HydrophobicContact CB-CB 4.04Å; I165-R168 HydrophobicContact CG2-CB 3.76Å; I165-R168 HydrophobicContact CG2-CG 4.23Å; I165-R168 PolarHBondContact O-N 2.79Å; Q166-R168 PolarHBondContact O-N 3.03Å; R168-R256 CarbonylContact O-C 3.55Å; R168-R256 WeakPolarHBondContact O-CA 3.38Å; R168-F257 PolarHBondContact O-N 3.33Å; R168-K259 VanDerWaalsContact NH2-CE 3.33Å |
| 169 | V | 86.5 | Confident | 80.8 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.024 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 114.7 | -174.1 | -175.8 | 0 | 0 | 0 | 0 | 110.1 | R164 I165 E254 I255 R256 | R164-V169 PolarHBondContact N-O 2.91Å; I165-V169 HydrophobicContact CB-CB 4.1Å; I165-V169 HydrophobicContact CB-CG2 4.21Å; I165-V169 HydrophobicContact CD1-CB 4.42Å; I165-V169 HydrophobicContact CD1-CG2 3.88Å; I165-V169 HydrophobicContact CG1-CB 4.22Å; I165-V169 HydrophobicContact CG1-CG2 4.21Å; I165-V169 PolarHBondContact N-O 3.17Å; I165-V169 PolarHBondContact O-N 3.08Å; V169-E254 HydrophobicContact CG1-CG 3.74Å; V169-I255 WeakPolarHBondContact CA-O 3.39Å; V169-R256 HydrophobicContact CG1-CG 4.5Å; V169-R256 HydrophobicContact CG2-CG 4.34Å |
| 170 | W | 90.5 | Very high | 80.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 141.5 | 171.5 | -62.9 | -9.3 | 0 | 0 | 0 | 109.7 | R146 E149 A150 L153 F161 E163 E254 I255 F257 V306 | R146-W170 HydrophobicContact CG-CH2 3.63Å; R146-W170 HydrophobicContact CG-CZ2 3.37Å; R146-W170 VanDerWaalsContact O-CH2 3.28Å; R146-W170 WeakPolarHBondContact O-CH2 3.36Å; R146-W170 WeakPolarHBondContact O-CZ2 3.3Å; E149-W170 HydrophobicContact CB-CH2 4.49Å; A150-W170 HydrophobicContact CB-CH2 3.97Å; A150-W170 HydrophobicContact CB-CZ2 3.61Å; L153-W170 HydrophobicContact CD1-CE3 4.13Å; L153-W170 HydrophobicContact CD1-CZ3 3.94Å; F161-W170 HydrophobicContact CE2-CB 3.87Å; F161-W170 AromaticContact CE2-CD2 3.88Å; F161-W170 HydrophobicContact CE2-CD2 3.88Å; F161-W170 AromaticContact CE2-CE3 4Å; F161-W170 HydrophobicContact CE2-CE3 4Å; F161-W170 AromaticContact CE2-CG 3.85Å; F161-W170 HydrophobicContact CE2-CG 3.85Å; F161-W170 HydrophobicContact CZ-CB 4.25Å; F161-W170 AromaticContact CZ-CD2 3.84Å; F161-W170 HydrophobicContact CZ-CD2 3.84Å; F161-W170 HydrophobicContact CZ-CE3 4.3Å; F161-W170 AromaticContact CZ-CG 3.81Å; F161-W170 HydrophobicContact CZ-CG 3.81Å; E163-W170 PolarHBondContact OE1-NE1 2.81Å; W170-E254 WeakPolarHBondContact O-CA 3.45Å; W170-I255 HydrophobicContact CB-CB 4.39Å; W170-I255 PolarHBondContact N-O 3.44Å; W170-I255 PolarHBondContact O-N 2.89Å; W170-F257 AromaticContact CD2-CE2 3.66Å; W170-F257 HydrophobicContact CD2-CE2 3.66Å; W170-F257 HydrophobicContact CD2-CZ 4.17Å; W170-F257 AromaticContact CE2-CE2 3.8Å; W170-F257 AromaticContact CE3-CE2 3.9Å; W170-F257 HydrophobicContact CE3-CE2 3.9Å; W170-F257 AromaticContact CE3-CZ 3.92Å; W170-F257 HydrophobicContact CE3-CZ 3.92Å; W170-F257 HydrophobicContact CG-CE2 4.08Å; W170-F257 HydrophobicContact CH2-CE2 4.38Å; W170-F257 HydrophobicContact CH2-CZ 4.22Å; W170-F257 HydrophobicContact CZ2-CE2 4.17Å; W170-F257 HydrophobicContact CZ2-CZ 4.45Å; W170-F257 HydrophobicContact CZ3-CE2 4.26Å; W170-F257 AromaticContact CZ3-CZ 3.95Å; W170-F257 HydrophobicContact CZ3-CZ 3.95Å; W170-V306 HydrophobicContact CE3-CG2 4.02Å; W170-V306 HydrophobicContact CZ3-CG2 3.81Å |
| 171 | T | 87.1 | Confident | 79.4 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 128.6 | 176.1 | -59.1 | 0 | 0 | 0 | 0 | 108.5 | I162 R164 E252 L253 | I162-T171 PolarHBondContact N-O 3.48Å; I162-T171 PolarHBondContact O-N 2.91Å; R164-T171 PolarHBondContact NH1-OG1 2.8Å; T171-E252 HydrophobicContact CG2-CB 4.03Å; T171-E252 HydrophobicContact CG2-CG 4.24Å; T171-E252 VanDerWaalsContact CG2-OE2 3.32Å; T171-E252 WeakPolarHBondContact CG2-OE2 3.28Å; T171-L253 CarbonylContact C-O 3.46Å; T171-L253 WeakPolarHBondContact CA-O 3.46Å |
| 172 | I | 87.5 | Confident | 78.1 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 119.8 | 175.1 | -54.3 | 99.5 | 0 | 0 | 0 | 109.4 | K160 F161 L174 E252 L253 I255 V306 I310 | K160-I172 CarbonylContact O-C 3.52Å; K160-I172 WeakPolarHBondContact O-CA 3.17Å; F161-I172 HydrophobicContact CD2-CD1 4.32Å; F161-I172 HydrophobicContact CD2-CG1 3.71Å; F161-I172 HydrophobicContact CE2-CG1 4.43Å; I172-L174 HydrophobicContact CG2-CD2 4.14Å; I172-E252 CarbonylContact O-C 3.52Å; I172-E252 VanDerWaalsContact O-CA 3.31Å; I172-E252 WeakPolarHBondContact O-CA 3.31Å; I172-L253 HydrophobicContact CB-CB 4.4Å; I172-L253 HydrophobicContact CD1-CD2 4.46Å; I172-L253 PolarHBondContact N-O 3.31Å; I172-L253 PolarHBondContact O-N 2.87Å; I172-I255 HydrophobicContact CD1-CD1 4.1Å; I172-I255 HydrophobicContact CD1-CG1 4.45Å; I172-V306 HydrophobicContact CD1-CG1 3.88Å; I172-I310 HydrophobicContact CB-CD1 4.4Å; I172-I310 HydrophobicContact CG1-CD1 4.16Å; I172-I310 HydrophobicContact CG2-CD1 3.85Å; I172-I310 HydrophobicContact CG2-CG1 4.33Å |
| 173 | G | 84.3 | Confident | 76.9 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 127.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | K160 F249 | K160-G173 PolarHBondContact O-N 2.95Å; G173-F249 VanDerWaalsContact CA-CD2 3.45Å |
| 174 | L | 82.2 | Confident | 75.5 | Confident | 7 Ų | 7 | 57.2 Ų | 57.2 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 131.5 | -177.1 | -61.2 | 176.6 | 0 | 0 | 0 | 111.8 | I172 L176 Y251 L253 I310 L313 | I172-L174 HydrophobicContact CG2-CD2 4.14Å; L174-L176 HydrophobicContact CB-CD1 4.31Å; L174-L176 HydrophobicContact CB-CD2 4.21Å; L174-L176 HydrophobicContact CB-CG 3.94Å; L174-L176 HydrophobicContact CD1-CD1 4.36Å; L174-L176 PolarHBondContact O-N 3.24Å; L174-Y251 PolarHBondContact N-O 2.81Å; L174-L253 HydrophobicContact CD1-CB 3.9Å; L174-L253 HydrophobicContact CG-CB 4.47Å; L174-I310 HydrophobicContact CD2-CG2 3.99Å; L174-L313 HydrophobicContact CD1-CB 4.24Å; L174-L313 HydrophobicContact CD1-CD1 3.45Å; L174-L313 VanDerWaalsContact CD1-CD1 3.45Å; L174-L313 HydrophobicContact CD1-CG 4.45Å |
| 175 | E | 78.8 | Confident | 73.7 | Confident | 112 Ų | 112 | 61.9 Ų | 61.9 | 52% | 0.523 | 28% | 0.28 | S | S | . | . | trans | -95.3 | 70.3 | 176.2 | -73.8 | 174.4 | -135 | 0 | 0 | 111 | K160 E177 F249 | K160-E175 WeakPolarHBondContact CE-OE1 3.09Å; K160-E175 IonicContact NZ-OE1 3.72Å; K160-E175 PolarHBondContact NZ-OE1 3.14Å; K160-E175 IonicContact NZ-OE2 3.9Å; E175-E177 VanDerWaalsContact C-N 3.32Å; E175-E177 PolarHBondContact O-N 2.79Å; E175-F249 HydrophobicContact CG-CD1 4.14Å; E175-F249 HydrophobicContact CG-CE1 4.19Å | ||
| 176 | L | 76.8 | Confident | 71.7 | Confident | 5 Ų | 5 | 63.1 Ų | 63.1 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | trans | -85.4 | 71.5 | -179.6 | -50.1 | 177.3 | 0 | 0 | 0 | 111.1 | L174 Y178 L179 T180 Y251 F272 L313 | L174-L176 HydrophobicContact CB-CD1 4.31Å; L174-L176 HydrophobicContact CB-CD2 4.21Å; L174-L176 HydrophobicContact CB-CG 3.94Å; L174-L176 HydrophobicContact CD1-CD1 4.36Å; L174-L176 PolarHBondContact O-N 3.24Å; L176-Y178 HydrophobicContact CB-CD1 4.33Å; L176-Y178 HydrophobicContact CB-CE1 3.8Å; L176-Y178 HydrophobicContact CD2-CE1 3.66Å; L176-Y178 HydrophobicContact CG-CE1 4.22Å; L176-Y178 PolarHBondContact O-N 2.73Å; L176-L179 HydrophobicContact CB-CB 4.4Å; L176-L179 HydrophobicContact CB-CD1 3.91Å; L176-L179 HydrophobicContact CB-CG 4.08Å; L176-L179 HydrophobicContact CD1-CD1 3.61Å; L176-L179 HydrophobicContact CG-CD1 4.41Å; L176-L179 PolarHBondContact O-N 3.05Å; L176-T180 PolarHBondContact O-N 3.39Å; L176-Y251 HydrophobicContact CB-CD2 3.68Å; L176-Y251 HydrophobicContact CB-CE2 3.96Å; L176-Y251 HydrophobicContact CB-CG 4.28Å; L176-Y251 HydrophobicContact CD1-CD2 4.38Å; L176-Y251 HydrophobicContact CD1-CG 4.15Å; L176-Y251 HydrophobicContact CG-CD2 4.17Å; L176-Y251 HydrophobicContact CG-CG 4.4Å; L176-Y251 WeakPolarHBondContact O-CE2 3.47Å; L176-F272 HydrophobicContact CD1-CE2 3.79Å; L176-F272 HydrophobicContact CD1-CZ 3.9Å; L176-L313 WeakPolarHBondContact CD2-O 3.32Å | ||
| 177 | E | 67.9 | Low | 69.7 | Low | 112 Ų | 112 | 64.7 Ų | 64.7 | 52% | 0.523 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57 | -30 | 179.7 | -71.8 | -174.9 | -172.3 | 0 | 0 | 112.5 | E175 T180 S181 K398 | E175-E177 VanDerWaalsContact C-N 3.32Å; E175-E177 PolarHBondContact O-N 2.79Å; E177-T180 PolarHBondContact O-N 2.88Å; E177-S181 WeakPolarHBondContact O-CB 3.31Å; E177-S181 PolarHBondContact O-N 3.38Å; E177-S181 PolarHBondContact O-OG 2.76Å; E177-K398 IonicContact OE1-NZ 3.05Å; E177-K398 PolarHBondContact OE1-NZ 3.22Å; E177-K398 IonicContact OE2-NZ 3.62Å |
| 178 | Y | 70.7 | Confident | 67.7 | Low | 31 Ų | 31 | 67.9 Ų | 67.9 | 12% | 0.122 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.9 | -40.6 | 179.5 | 66.8 | -93.5 | 0 | 0 | 0 | 112.8 | L176 S181 R182 L313 E316 I319 | L176-Y178 HydrophobicContact CB-CD1 4.33Å; L176-Y178 HydrophobicContact CB-CE1 3.8Å; L176-Y178 HydrophobicContact CD2-CE1 3.66Å; L176-Y178 HydrophobicContact CG-CE1 4.22Å; L176-Y178 PolarHBondContact O-N 2.73Å; Y178-S181 PolarHBondContact O-N 3.26Å; Y178-R182 WeakPolarHBondContact O-CB 3.4Å; Y178-R182 WeakPolarHBondContact O-CG 3.34Å; Y178-R182 PolarHBondContact O-N 3.25Å; Y178-L313 PolarHBondContact OH-O 2.76Å; Y178-E316 HydrophobicContact CD2-CB 4.44Å; Y178-E316 HydrophobicContact CD2-CG 3.95Å; Y178-E316 HydrophobicContact CG-CB 4.41Å; Y178-E316 HydrophobicContact CG-CG 4.16Å; Y178-I319 HydrophobicContact CE2-CB 4.48Å; Y178-I319 HydrophobicContact CE2-CG2 4.12Å; Y178-I319 WeakPolarHBondContact OH-CD1 3.41Å |
| 179 | L | 66.7 | Low | 65.6 | Low | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 176.1 | -68.4 | -178.2 | 0 | 0 | 0 | 110.6 | L176 S181 R182 F183 Y251 F272 I319 L323 | L176-L179 HydrophobicContact CB-CB 4.4Å; L176-L179 HydrophobicContact CB-CD1 3.91Å; L176-L179 HydrophobicContact CB-CG 4.08Å; L176-L179 HydrophobicContact CD1-CD1 3.61Å; L176-L179 HydrophobicContact CG-CD1 4.41Å; L176-L179 PolarHBondContact O-N 3.05Å; L179-S181 VanDerWaalsContact C-N 3.3Å; L179-S181 PolarHBondContact O-N 3.09Å; L179-R182 PolarHBondContact O-N 3.08Å; L179-F183 VanDerWaalsContact O-CD2 3.3Å; L179-F183 WeakPolarHBondContact O-CD2 3.39Å; L179-F183 PolarHBondContact O-N 2.97Å; L179-F183 VanDerWaalsContact O-N 3.09Å; L179-Y251 HydrophobicContact CB-CE1 4.16Å; L179-Y251 HydrophobicContact CB-CE2 4.18Å; L179-Y251 WeakPolarHBondContact CB-OH 3.46Å; L179-Y251 HydrophobicContact CD1-CD1 4.08Å; L179-Y251 HydrophobicContact CD1-CE1 3.82Å; L179-F272 HydrophobicContact CD1-CZ 3.99Å; L179-I319 HydrophobicContact CD2-CG2 4.23Å; L179-L323 HydrophobicContact CD2-CD1 3.56Å; L179-L323 HydrophobicContact CD2-CD2 4.13Å; L179-L323 HydrophobicContact CD2-CG 4.37Å |
| 180 | T | 67.6 | Low | 63 | Low | 13 Ų | 13 | 81 Ų | 81 | 8% | 0.08 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65 | -37.6 | 179.5 | -49.2 | 0 | 0 | 0 | 0 | 111.2 | L176 E177 R184 L250 Y251 | L176-T180 PolarHBondContact O-N 3.39Å; E177-T180 PolarHBondContact O-N 2.88Å; T180-R184 HydrophobicContact CG2-CG 4.48Å; T180-R184 VanDerWaalsContact O-CB 3.3Å; T180-R184 WeakPolarHBondContact O-CB 3.35Å; T180-R184 WeakPolarHBondContact O-CG 3.13Å; T180-R184 PolarHBondContact O-N 3.04Å; T180-L250 HydrophobicContact CG2-CD1 4.18Å; T180-Y251 PolarHBondContact N-OH 3.38Å; T180-Y251 WeakPolarHBondContact OG1-CE2 3.36Å; T180-Y251 PolarHBondContact OG1-OH 3.08Å |
| 181 | S | 63.5 | Low | 60.2 | Low | 76 Ų | 76 | 85.4 Ų | 85.4 | 53% | 0.531 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -71 | -33.2 | 178.8 | -60 | 0 | 0 | 0 | 0 | 113.2 | E177 Y178 L179 | E177-S181 WeakPolarHBondContact O-CB 3.31Å; E177-S181 PolarHBondContact O-N 3.38Å; E177-S181 PolarHBondContact O-OG 2.76Å; Y178-S181 PolarHBondContact O-N 3.26Å; L179-S181 VanDerWaalsContact C-N 3.3Å; L179-S181 PolarHBondContact O-N 3.09Å |
| 182 | R | 60.5 | Low | 57.7 | Low | 148 Ų | 148 | 92.8 Ų | 92.8 | 56% | 0.558 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -74.9 | -39 | 178.2 | -70.3 | -101.5 | -176.2 | -178.4 | 0.4 | 113.2 | Y178 L179 E316 | Y178-R182 WeakPolarHBondContact O-CB 3.4Å; Y178-R182 WeakPolarHBondContact O-CG 3.34Å; Y178-R182 PolarHBondContact O-N 3.25Å; L179-R182 PolarHBondContact O-N 3.08Å; R182-E316 IonicContact CZ-OE1 3.94Å; R182-E316 IonicContact NE-OE1 2.88Å; R182-E316 PolarHBondContact NE-OE1 2.82Å; R182-E316 IonicContact NH2-OE1 3.21Å; R182-E316 PolarHBondContact NH2-OE1 3.03Å |
| 183 | F | 58.8 | Low | 55.2 | Low | 43 Ų | 43 | 101.3 Ų | 101.3 | 19% | 0.189 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -96.8 | -6.4 | -176.9 | -69 | -74.9 | 0 | 0 | 0 | 114.3 | L179 K185 N278 L279 P280 L323 | L179-F183 VanDerWaalsContact O-CD2 3.3Å; L179-F183 WeakPolarHBondContact O-CD2 3.39Å; L179-F183 PolarHBondContact O-N 2.97Å; L179-F183 VanDerWaalsContact O-N 3.09Å; F183-K185 PolarHBondContact O-N 3.29Å; F183-N278 HydrophobicContact CB-CB 3.79Å; F183-N278 WeakPolarHBondContact CD1-O 3.3Å; F183-N278 WeakPolarHBondContact O-CB 3.48Å; F183-L279 HydrophobicContact CD2-CD1 3.83Å; F183-L279 HydrophobicContact CE2-CD1 3.34Å; F183-L279 HydrophobicContact CZ-CD1 3.81Å; F183-P280 HydrophobicContact CE1-CG 4.24Å; F183-L323 HydrophobicContact CE2-CD1 3.9Å; F183-L323 HydrophobicContact CE2-CD2 3.92Å; F183-L323 HydrophobicContact CE2-CG 4.4Å; F183-L323 HydrophobicContact CZ-CB 4.43Å; F183-L323 HydrophobicContact CZ-CD1 4.3Å; F183-L323 HydrophobicContact CZ-CD2 4.03Å; F183-L323 HydrophobicContact CZ-CG 4.47Å |
| 184 | R | 57.2 | Low | 52.9 | Low | 170 Ų | 170 | 109.1 Ų | 109.1 | 64% | 0.642 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -63.2 | 84.7 | 156.4 | -83.5 | 172.9 | -175 | 172.6 | 6.7 | 107.3 | T180 S186 | T180-R184 HydrophobicContact CG2-CG 4.48Å; T180-R184 VanDerWaalsContact O-CB 3.3Å; T180-R184 WeakPolarHBondContact O-CB 3.35Å; T180-R184 WeakPolarHBondContact O-CG 3.13Å; T180-R184 PolarHBondContact O-N 3.04Å; R184-S186 PolarHBondContact O-N 3.04Å |
| 185 | K | 42.9 | Very low | 50.7 | Low | 180 Ų | 180 | 115.5 Ų | 115.5 | 78% | 0.783 | 58% | 0.58 | S | S | * | * | trans | -43.9 | 120.6 | 163.9 | -67.7 | 177.1 | -178.7 | 172.6 | 0 | 105.7 | F183 K187 | F183-K185 PolarHBondContact O-N 3.29Å; K185-K187 PolarHBondContact O-N 2.94Å; K185-K187 VanDerWaalsContact O-N 3.13Å | ||
| 186 | S | 39 | Very low | 48.7 | Very low | 109 Ų | 109 | 118.2 Ų | 118.2 | 76% | 0.762 | 59% | 0.592 | S | S | * | * | trans | -44.5 | 128.4 | 159.5 | 45.6 | 0 | 0 | 0 | 0 | 106 | R184 | R184-S186 PolarHBondContact O-N 3.04Š| ||
| 187 | K | 34.2 | Very low | 47 | Very low | 189 Ų | 189 | 127 Ų | 127 | 82% | 0.822 | 63% | 0.634 | S | S | * | * | trans | -43.6 | 139 | 166 | -76.4 | -170.3 | 174 | -175.1 | 0 | 107.1 | K185 K189 | K185-K187 PolarHBondContact O-N 2.94Å; K185-K187 VanDerWaalsContact O-N 3.13Å; K187-K189 PolarHBondContact O-N 2.98Å; K187-K189 VanDerWaalsContact O-N 3.1Å | ||
| 188 | P | 36.5 | Very low | 45.5 | Very low | 113 Ų | 113 | 128 Ų | 128 | 73% | 0.734 | 64% | 0.643 | S | S | * | * | trans | -51 | 130.2 | 175.5 | 16.4 | -21.5 | 0 | 0 | 0 | 107 | E190 | P188-E190 PolarHBondContact O-N 3.32Š| ||
| 189 | K | 38.8 | Very low | 44.3 | Very low | 209 Ų | 209 | 131.7 Ų | 131.7 | 91% | 0.909 | 67% | 0.672 | S | S | * | * | trans | -58.5 | 89.5 | 161.3 | -78.8 | -179.2 | 173.9 | 178.6 | 0 | 105.8 | K187 S191 | K187-K189 PolarHBondContact O-N 2.98Å; K187-K189 VanDerWaalsContact O-N 3.1Å; K189-S191 PolarHBondContact O-N 3.31Å; K189-S191 VanDerWaalsContact O-N 3.11Å | ||
| 190 | E | 30.7 | Very low | 43.9 | Very low | 178 Ų | 178 | 136.2 Ų | 136.2 | 83% | 0.832 | 70% | 0.696 | S | S | * | * | trans | -56.6 | 114.4 | 152.8 | -94 | -178.2 | 155.1 | 0 | 0 | 105.6 | P188 T192 | P188-E190 PolarHBondContact O-N 3.32Å; E190-T192 PolarHBondContact O-N 3.04Å | ||
| 191 | S | 32.7 | Very low | 43.7 | Very low | 93 Ų | 93 | 140.7 Ų | 140.7 | 65% | 0.65 | 72% | 0.716 | S | S | * | * | trans | -11.6 | 113.6 | 163.7 | 49.9 | 0 | 0 | 0 | 0 | 114.5 | K189 K193 | K189-S191 PolarHBondContact O-N 3.31Å; K189-S191 VanDerWaalsContact O-N 3.11Å; S191-K193 PolarHBondContact O-N 2.98Å | ||
| 192 | T | 34.3 | Very low | 44.3 | Very low | 156 Ų | 156 | 140.5 Ų | 140.5 | 96% | 0.957 | 71% | 0.709 | S | S | * | * | trans | -66.2 | 78.7 | 152.6 | 4 | 0 | 0 | 0 | 0 | 108.2 | E190 | E190-T192 PolarHBondContact O-N 3.04Š| ||
| 193 | K | 34.5 | Very low | 45 | Very low | 180 Ų | 180 | 133.6 Ų | 133.6 | 78% | 0.783 | 68% | 0.683 | S | S | * | * | trans | -101.7 | 117.1 | 148.4 | -77.1 | -173 | 177.4 | 179.7 | 0 | 106.2 | S191 V195 | S191-K193 PolarHBondContact O-N 2.98Å; K193-V195 PolarHBondContact O-N 3.3Å | ||
| 194 | N | 37.4 | Very low | 45.8 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 90% | 0.898 | 70% | 0.7 | S | S | * | * | trans | -31.8 | 116.3 | 172.6 | -76.1 | -45.9 | 0 | 0 | 0 | 113.3 | ||||
| 195 | V | 35.7 | Very low | 46.5 | Very low | 140 Ų | 140 | 136.3 Ų | 136.3 | 85% | 0.848 | 70% | 0.699 | S | S | * | * | trans | -132.6 | 118.1 | 148.8 | -177.7 | 0 | 0 | 0 | 0 | 107.3 | K193 | K193-V195 PolarHBondContact O-N 3.3Š| ||
| 196 | Q | 36.3 | Very low | 48.1 | Very low | 169 Ų | 169 | 131.9 Ų | 131.9 | 79% | 0.79 | 68% | 0.678 | S | S | * | * | trans | -44.2 | 131.3 | 179.2 | -158.3 | 153.5 | -10.1 | 0 | 0 | 113 | N198 | Q196-N198 PolarHBondContact O-N 3.43Š| ||
| 197 | E | 40.5 | Very low | 49.7 | Very low | 191 Ų | 191 | 131.3 Ų | 131.3 | 89% | 0.893 | 67% | 0.666 | S | S | * | * | trans | -49.5 | 110.4 | 161.3 | -83.9 | 174.3 | 141.7 | 0 | 0 | 109.5 | ||||
| 198 | N | 37 | Very low | 51.5 | Low | 133 Ų | 133 | 130.5 Ų | 130.5 | 71% | 0.711 | 66% | 0.663 | S | S | * | * | trans | -114.4 | 100 | 152.1 | -84.8 | -26.3 | 0 | 0 | 0 | 105.9 | Q196 L200 | Q196-N198 PolarHBondContact O-N 3.43Å; N198-L200 PolarHBondContact O-N 2.97Å | ||
| 199 | S | 44.9 | Very low | 53.1 | Low | 107 Ų | 107 | 128.1 Ų | 128.1 | 75% | 0.748 | 66% | 0.659 | S | S | * | * | trans | -51.1 | 101.7 | 165.3 | 42.5 | 0 | 0 | 0 | 0 | 109.2 | E201 | S199-E201 VanDerWaalsContact C-N 3.33Å; S199-E201 PolarHBondContact O-N 3.48Å | ||
| 200 | L | 58.5 | Low | 54.8 | Low | 95 Ų | 95 | 124.6 Ų | 124.6 | 50% | 0.497 | 65% | 0.65 | S | S | . | * | trans | -71 | 94.8 | 171.3 | -70.5 | 173.8 | 0 | 0 | 0 | 107.8 | N198 | N198-L200 PolarHBondContact O-N 2.97Š| ||
| 201 | E | 64.3 | Low | 57.2 | Low | 108 Ų | 108 | 117.5 Ų | 117.5 | 51% | 0.505 | 62% | 0.619 | S | S | . | * | trans | -50.6 | 144.2 | 174.3 | -69.4 | -172.2 | 175.1 | 0 | 0 | 111.2 | S199 K204 F219 | S199-E201 VanDerWaalsContact C-N 3.33Å; S199-E201 PolarHBondContact O-N 3.48Å; E201-K204 WeakPolarHBondContact OE2-CE 3.3Å; E201-K204 IonicContact OE2-NZ 2.79Å; E201-K204 PolarHBondContact OE2-NZ 2.96Å; E201-F219 WeakPolarHBondContact O-CB 3.31Å; E201-F219 WeakPolarHBondContact O-CD1 3.41Å | ||
| 202 | I | 75.4 | Confident | 59.2 | Low | 72 Ų | 72 | 122.6 Ų | 122.6 | 37% | 0.369 | 63% | 0.63 | S | S | . | * | B | Isolated β-bridge | trans | -60.8 | 138 | 173 | -61.2 | 170.1 | 0 | 0 | 0 | 108.7 | K204 L207 | I202-K204 PolarHBondContact O-N 3.07Å; I202-L207 HydrophobicContact CG2-CD1 3.89Å; I202-L207 HydrophobicContact CG2-CD2 4.33Å; I202-L207 HydrophobicContact CG2-CG 4.03Å |
| 203 | C | 76.4 | Confident | 60.8 | Low | 2 Ų | 2 | 122.3 Ų | 122.3 | 1% | 0.014 | 62% | 0.616 | C | S | . | * | trans | -63.7 | 106.5 | -176.4 | -173.4 | 0 | 0 | 0 | 0 | 111.3 | F205 Y206 L207 F219 K220 H221 | C203-F205 PolarHBondContact O-N 3.5Å; C203-F205 VanDerWaalsContact O-N 3.13Å; C203-Y206 WeakPolarHBondContact O-CB 3.23Å; C203-Y206 PolarHBondContact O-N 2.82Å; C203-L207 PolarHBondContact O-N 2.8Å; C203-L207 VanDerWaalsContact O-N 3.11Å; C203-F219 HydrophobicContact CB-CB 3.54Å; C203-K220 PolarHBondContact N-O 2.88Å; C203-H221 WeakPolarHBondContact CB-CD2 3.35Å | ||
| 204 | K | 74.7 | Confident | 62.5 | Low | 129 Ų | 129 | 115.6 Ų | 115.6 | 56% | 0.561 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -58.9 | -26.6 | 178.3 | -64.2 | 171.7 | -172.3 | 159.3 | 0 | 112.8 | E201 I202 K208 | E201-K204 WeakPolarHBondContact OE2-CE 3.3Å; E201-K204 IonicContact OE2-NZ 2.79Å; E201-K204 PolarHBondContact OE2-NZ 2.96Å; I202-K204 PolarHBondContact O-N 3.07Å; K204-K208 WeakPolarHBondContact O-CG 3.4Å; K204-K208 PolarHBondContact O-N 3.5Å |
| 205 | F | 72.5 | Confident | 63.9 | Low | 141 Ų | 141 | 113.6 Ų | 113.6 | 62% | 0.618 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -80.6 | -27.6 | 176.5 | -63.8 | -76 | 0 | 0 | 0 | 113.4 | C203 K208 G209 N210 C211 | C203-F205 PolarHBondContact O-N 3.5Å; C203-F205 VanDerWaalsContact O-N 3.13Å; F205-K208 PolarHBondContact O-N 2.82Å; F205-G209 PolarHBondContact O-N 3.15Å; F205-N210 PolarHBondContact O-N 2.98Å; F205-C211 HydrophobicContact CB-CB 4.25Å; F205-C211 PolarHBondContact O-N 2.82Å |
| 206 | Y | 75.8 | Confident | 65.3 | Low | 88 Ų | 88 | 116.1 Ų | 116.1 | 35% | 0.345 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -73 | -42.4 | 173.4 | -178.1 | -106.8 | 0 | 0 | 0 | 111.1 | C203 K208 G209 H221 V223 | C203-Y206 WeakPolarHBondContact O-CB 3.23Å; C203-Y206 PolarHBondContact O-N 2.82Å; Y206-K208 PolarHBondContact O-N 3.06Å; Y206-G209 PolarHBondContact O-N 2.93Å; Y206-H221 VanDerWaalsContact CB-CD2 3.41Å; Y206-H221 WeakPolarHBondContact CB-CD2 3.44Å; Y206-H221 HydrophobicContact CD1-CB 3.68Å; Y206-H221 AromaticContact CD1-CG 3.86Å; Y206-H221 HydrophobicContact CD2-CB 3.93Å; Y206-H221 AromaticContact CD2-CD2 3.86Å; Y206-H221 AromaticContact CD2-CE1 3.64Å; Y206-H221 AromaticContact CD2-CG 3.44Å; Y206-H221 VanDerWaalsContact CD2-CG 3.44Å; Y206-H221 AromaticContact CD2-ND1 3.31Å; Y206-H221 VanDerWaalsContact CD2-ND1 3.31Å; Y206-H221 WeakPolarHBondContact CD2-ND1 3.49Å; Y206-H221 AromaticContact CD2-NE2 3.97Å; Y206-H221 HydrophobicContact CE1-CB 3.67Å; Y206-H221 HydrophobicContact CE2-CB 3.92Å; Y206-H221 AromaticContact CE2-CG 3.87Å; Y206-H221 AromaticContact CE2-ND1 3.68Å; Y206-H221 HydrophobicContact CG-CB 3.81Å; Y206-H221 AromaticContact CG-CD2 3.53Å; Y206-H221 AromaticContact CG-CG 3.44Å; Y206-H221 VanDerWaalsContact CG-CG 3.44Å; Y206-H221 AromaticContact CG-ND1 3.8Å; Y206-H221 AromaticContact CG-NE2 3.92Å; Y206-V223 HydrophobicContact CE1-CG2 3.66Å |
| 207 | L | 73.8 | Confident | 67.1 | Low | 97 Ų | 97 | 109.3 Ų | 109.3 | 51% | 0.508 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -59.7 | -26.7 | 172.8 | -69 | 174.3 | 0 | 0 | 0 | 112.9 | I202 C203 | I202-L207 HydrophobicContact CG2-CD1 3.89Å; I202-L207 HydrophobicContact CG2-CD2 4.33Å; I202-L207 HydrophobicContact CG2-CG 4.03Å; C203-L207 PolarHBondContact O-N 2.8Å; C203-L207 VanDerWaalsContact O-N 3.11Å |
| 208 | K | 71.3 | Confident | 68.2 | Low | 172 Ų | 172 | 110 Ų | 110 | 75% | 0.748 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | 4.1 | 174.4 | -68.8 | -178.6 | 178.4 | -175.9 | 0 | 114.1 | K204 F205 Y206 N210 | K204-K208 WeakPolarHBondContact O-CG 3.4Å; K204-K208 PolarHBondContact O-N 3.5Å; F205-K208 PolarHBondContact O-N 2.82Å; Y206-K208 PolarHBondContact O-N 3.06Å; K208-N210 VanDerWaalsContact C-N 3.33Å; K208-N210 PolarHBondContact O-N 2.79Å |
| 209 | G | 70.6 | Confident | 70.1 | Confident | 63 Ų | 63 | 108 Ų | 108 | 65% | 0.649 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | 4.9 | 176 | 0 | 0 | 0 | 0 | 0 | 117 | F205 Y206 | F205-G209 PolarHBondContact O-N 3.15Å; Y206-G209 PolarHBondContact O-N 2.93Å |
| 210 | N | 72.8 | Confident | 71.5 | Confident | 134 Ų | 134 | 108.6 Ų | 108.6 | 72% | 0.717 | 54% | 0.536 | S | S | * | . | trans | -117.3 | 24.3 | -171.1 | -83.8 | -0.6 | 0 | 0 | 0 | 114 | F205 K208 K212 | F205-N210 PolarHBondContact O-N 2.98Å; K208-N210 VanDerWaalsContact C-N 3.33Å; K208-N210 PolarHBondContact O-N 2.79Å; N210-K212 PolarHBondContact O-N 2.85Å | ||
| 211 | C | 81.8 | Confident | 72.3 | Confident | 29 Ų | 29 | 106.4 Ų | 106.4 | 20% | 0.196 | 52% | 0.523 | C | S | . | . | trans | -76.5 | 117.7 | 178.4 | -171.1 | 0 | 0 | 0 | 0 | 111.8 | F205 F213 H221 | F205-C211 HydrophobicContact CB-CB 4.25Å; F205-C211 PolarHBondContact O-N 2.82Å; C211-F213 VanDerWaalsContact C-N 3.28Å; C211-F213 PolarHBondContact O-N 3.27Å; C211-H221 PolarHBondContact SG-CE1 3.07Å; C211-H221 PolarHBondContact SG-NE2 2.9Å; C211-H221 VanDerWaalsContact SG-NE2 3.35Å | ||
| 212 | K | 73.9 | Confident | 72.3 | Confident | 200 Ų | 200 | 107 Ų | 107 | 87% | 0.87 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -5.6 | 179.5 | -60 | -175 | -179.7 | -177 | 0 | 114.3 | N210 | N210-K212 PolarHBondContact O-N 2.85Š|
| 213 | F | 69.1 | Low | 71.4 | Confident | 150 Ų | 150 | 107.7 Ų | 107.7 | 66% | 0.658 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -4.4 | -169.7 | -60 | -75.4 | 0 | 0 | 0 | 114.6 | C211 K216 C217 | C211-F213 VanDerWaalsContact C-N 3.28Å; C211-F213 PolarHBondContact O-N 3.27Å; F213-K216 PolarHBondContact O-N 3.33Å; F213-K216 VanDerWaalsContact O-N 3.1Å; F213-C217 HydrophobicContact CB-CB 3.98Å; F213-C217 PolarHBondContact O-N 3.34Å |
| 214 | G | 70.4 | Confident | 70.1 | Confident | 39 Ų | 39 | 111.3 Ų | 111.3 | 40% | 0.402 | 56% | 0.556 | S | S | . | * | G | 310 helix | trans | 50.7 | -140 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K216 C217 H221 | G214-K216 PolarHBondContact O-N 3.34Å; G214-C217 PolarHBondContact O-N 3.43Å; G214-H221 PolarHBondContact O-CE1 3.16Å; G214-H221 PolarHBondContact O-ND1 3.45Å |
| 215 | S | 65.7 | Low | 68.6 | Low | 127 Ų | 127 | 111.2 Ų | 111.2 | 89% | 0.888 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -70.3 | -4.5 | 178.3 | 49.4 | 0 | 0 | 0 | 0 | 114.9 | ||
| 216 | K | 65 | Low | 67.4 | Low | 192 Ų | 192 | 111.7 Ų | 111.7 | 84% | 0.835 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -100.1 | 12.8 | 176.7 | -61.3 | -177.1 | -179.1 | -179.5 | 0 | 112.6 | F213 G214 | F213-K216 PolarHBondContact O-N 3.33Å; F213-K216 VanDerWaalsContact O-N 3.1Å; G214-K216 PolarHBondContact O-N 3.34Å |
| 217 | C | 74.2 | Confident | 65.8 | Low | 26 Ų | 26 | 115.8 Ų | 115.8 | 18% | 0.176 | 60% | 0.6 | C | S | . | * | trans | -69 | 142 | 178.8 | -163.5 | 0 | 0 | 0 | 0 | 111.3 | F213 G214 F219 H221 | F213-C217 HydrophobicContact CB-CB 3.98Å; F213-C217 PolarHBondContact O-N 3.34Å; G214-C217 PolarHBondContact O-N 3.43Å; C217-F219 PolarHBondContact O-N 3.03Å; C217-H221 WeakPolarHBondContact CB-NE2 3.28Å | ||
| 218 | R | 65.1 | Low | 64.5 | Low | 206 Ų | 206 | 119.4 Ų | 119.4 | 78% | 0.777 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -66.1 | -18.1 | 175.9 | -175.3 | 176.4 | 174.4 | -173.8 | -1.6 | 113 | ||
| 219 | F | 76 | Confident | 62.8 | Low | 92 Ų | 92 | 118 Ų | 118 | 40% | 0.404 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -110.1 | 148.4 | -178.1 | -60.7 | -71.8 | 0 | 0 | 0 | 110.6 | E201 C203 C217 H221 | E201-F219 WeakPolarHBondContact O-CB 3.31Å; E201-F219 WeakPolarHBondContact O-CD1 3.41Å; C203-F219 HydrophobicContact CB-CB 3.54Å; C217-F219 PolarHBondContact O-N 3.03Å; F219-H221 PolarHBondContact O-CD2 3.3Å; F219-H221 PolarHBondContact O-N 3Å |
| 220 | K | 75.1 | Confident | 61.4 | Low | 119 Ų | 119 | 118.4 Ų | 118.4 | 52% | 0.517 | 63% | 0.628 | S | S | . | * | B | Isolated β-bridge | trans | -66.8 | 133.1 | -176.3 | -72.4 | -171.3 | 173.6 | -170.9 | 0 | 111.7 | C203 | C203-K220 PolarHBondContact N-O 2.88Å |
| 221 | H | 73.5 | Confident | 59.5 | Low | 49 Ų | 49 | 124 Ų | 124 | 23% | 0.227 | 64% | 0.639 | C | S | . | * | trans | -102.9 | 73.5 | 175 | -75.1 | -171.8 | 0 | 0 | 0 | 109.2 | C203 Y206 C211 G214 C217 F219 | C203-H221 WeakPolarHBondContact CB-CD2 3.35Å; Y206-H221 VanDerWaalsContact CB-CD2 3.41Å; Y206-H221 WeakPolarHBondContact CB-CD2 3.44Å; Y206-H221 HydrophobicContact CD1-CB 3.68Å; Y206-H221 AromaticContact CD1-CG 3.86Å; Y206-H221 HydrophobicContact CD2-CB 3.93Å; Y206-H221 AromaticContact CD2-CD2 3.86Å; Y206-H221 AromaticContact CD2-CE1 3.64Å; Y206-H221 AromaticContact CD2-CG 3.44Å; Y206-H221 VanDerWaalsContact CD2-CG 3.44Å; Y206-H221 AromaticContact CD2-ND1 3.31Å; Y206-H221 VanDerWaalsContact CD2-ND1 3.31Å; Y206-H221 WeakPolarHBondContact CD2-ND1 3.49Å; Y206-H221 AromaticContact CD2-NE2 3.97Å; Y206-H221 HydrophobicContact CE1-CB 3.67Å; Y206-H221 HydrophobicContact CE2-CB 3.92Å; Y206-H221 AromaticContact CE2-CG 3.87Å; Y206-H221 AromaticContact CE2-ND1 3.68Å; Y206-H221 HydrophobicContact CG-CB 3.81Å; Y206-H221 AromaticContact CG-CD2 3.53Å; Y206-H221 AromaticContact CG-CG 3.44Å; Y206-H221 VanDerWaalsContact CG-CG 3.44Å; Y206-H221 AromaticContact CG-ND1 3.8Å; Y206-H221 AromaticContact CG-NE2 3.92Å; C211-H221 PolarHBondContact SG-CE1 3.07Å; C211-H221 PolarHBondContact SG-NE2 2.9Å; C211-H221 VanDerWaalsContact SG-NE2 3.35Å; G214-H221 PolarHBondContact O-CE1 3.16Å; G214-H221 PolarHBondContact O-ND1 3.45Å; C217-H221 WeakPolarHBondContact CB-NE2 3.28Å; F219-H221 PolarHBondContact O-CD2 3.3Å; F219-H221 PolarHBondContact O-N 3Å | ||
| 222 | E | 66.3 | Low | 57.8 | Low | 121 Ų | 121 | 129.5 Ų | 129.5 | 57% | 0.565 | 67% | 0.665 | S | S | * | * | trans | -119.7 | 127.4 | -179.2 | -156.6 | 167 | -168.9 | 0 | 0 | 107.8 | ||||
| 223 | V | 56.1 | Low | 55.9 | Low | 86 Ų | 86 | 129.1 Ų | 129.1 | 52% | 0.521 | 67% | 0.666 | S | S | . | * | trans | -96.5 | 124.2 | 179.9 | -173.4 | 0 | 0 | 0 | 0 | 107.8 | Y206 | Y206-V223 HydrophobicContact CE1-CG2 3.66Š| ||
| 224 | P | 48.5 | Very low | 54.6 | Low | 77 Ų | 77 | 133.1 Ų | 133.1 | 50% | 0.5 | 68% | 0.677 | S | S | . | * | trans | -62.3 | 151.8 | 174.5 | -19.6 | 30.9 | 0 | 0 | 0 | 111.9 | N226 | P224-N226 PolarHBondContact O-N 3.5Š| ||
| 225 | P | 43.9 | Very low | 53.1 | Low | 128 Ų | 128 | 136.3 Ų | 136.3 | 83% | 0.831 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 12.3 | -159.9 | -20 | 32.6 | 0 | 0 | 0 | 118.9 | ||
| 226 | N | 46.5 | Very low | 51.8 | Low | 150 Ų | 150 | 136 Ų | 136 | 80% | 0.802 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.2 | 26 | -166.3 | -70.9 | -18.4 | 0 | 0 | 0 | 116.5 | P224 | P224-N226 PolarHBondContact O-N 3.5Š|
| 227 | Q | 42.4 | Very low | 50.7 | Low | 175 Ų | 175 | 131.3 Ų | 131.3 | 82% | 0.818 | 67% | 0.67 | S | S | * | * | trans | -136.7 | 115.1 | 165.9 | -74.8 | -175.5 | 5.2 | 0 | 0 | 111.8 | ||||
| 228 | I | 46.2 | Very low | 49.2 | Very low | 172 Ų | 172 | 135.8 Ų | 135.8 | 88% | 0.882 | 69% | 0.692 | S | S | * | * | trans | -78.6 | 114.6 | 174.4 | -59.8 | 167.5 | 0 | 0 | 0 | 108.7 | ||||
| 229 | V | 36.3 | Very low | 48.5 | Very low | 143 Ų | 143 | 130.2 Ų | 130.2 | 87% | 0.867 | 68% | 0.684 | S | S | * | * | trans | -139.6 | 117 | 150.5 | -179.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 230 | G | 41.3 | Very low | 47.5 | Very low | 71 Ų | 71 | 133.2 Ų | 133.2 | 73% | 0.732 | 70% | 0.7 | S | S | * | * | trans | -73.4 | 146.1 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 231 | R | 32.6 | Very low | 46.1 | Very low | 251 Ų | 251 | 134.8 Ų | 134.8 | 95% | 0.947 | 71% | 0.713 | S | S | * | * | trans | -150.7 | 129.1 | 143.4 | -141.9 | 177.8 | -166.2 | -176.7 | 3.1 | 110.3 | ||||
| 232 | I | 45 | Very low | 44.6 | Very low | 146 Ų | 146 | 139 Ų | 139 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | trans | -65.5 | 121.9 | -179 | -65.4 | 154.5 | 0 | 0 | 0 | 110 | R234 | I232-R234 HydrophobicContact CG2-CG 4Š| ||
| 233 | E | 35.6 | Very low | 43.3 | Very low | 191 Ų | 191 | 137.9 Ų | 137.9 | 89% | 0.893 | 75% | 0.748 | S | S | * | * | trans | -121 | 119 | 151.3 | -78.7 | -174.4 | 174.4 | 0 | 0 | 107.8 | S235 | E233-S235 PolarHBondContact O-N 3.19Š| ||
| 234 | R | 41.2 | Very low | 42.6 | Very low | 234 Ų | 234 | 140.2 Ų | 140.2 | 88% | 0.883 | 76% | 0.756 | S | S | * | * | trans | -75.4 | 102 | -179.6 | -58.7 | 175.1 | -139.2 | 175.2 | 4.1 | 107.7 | I232 | I232-R234 HydrophobicContact CG2-CG 4Š| ||
| 235 | S | 37.8 | Very low | 42.7 | Very low | 107 Ų | 107 | 146 Ų | 146 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -82.7 | 119.8 | 152.8 | 55.6 | 0 | 0 | 0 | 0 | 106.8 | E233 D237 | E233-S235 PolarHBondContact O-N 3.19Å; S235-D237 PolarHBondContact O-N 2.79Å | ||
| 236 | V | 39 | Very low | 42.9 | Very low | 119 Ų | 119 | 142.5 Ų | 142.5 | 72% | 0.721 | 75% | 0.751 | S | S | * | * | trans | -57.3 | 122.8 | 173.4 | 178.6 | 0 | 0 | 0 | 0 | 107.8 | D238 | V236-D238 PolarHBondContact O-N 3.31Š| ||
| 237 | D | 42.9 | Very low | 43 | Very low | 95 Ų | 95 | 137.6 Ų | 137.6 | 51% | 0.508 | 73% | 0.731 | S | S | . | * | trans | -84.5 | 89 | 179.2 | -175.5 | 21.9 | 0 | 0 | 0 | 108.4 | S235 S239 H240 | S235-D237 PolarHBondContact O-N 2.79Å; D237-S239 PolarHBondContact O-N 3Å; D237-S239 WeakPolarHBondContact OD1-CB 3.46Å; D237-S239 PolarHBondContact OD1-N 2.95Å; D237-S239 PolarHBondContact OD1-OG 3.24Å; D237-H240 IonicContact OD2-NE2 2.68Å | ||
| 238 | D | 41.8 | Very low | 43.7 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | trans | -84 | 26.4 | 170.3 | -75.7 | -27.6 | 0 | 0 | 0 | 111.5 | V236 H240 | V236-D238 PolarHBondContact O-N 3.31Å; D238-H240 PolarHBondContact O-N 3.13Å | ||
| 239 | S | 49.9 | Very low | 44.7 | Very low | 89 Ų | 89 | 128.8 Ų | 128.8 | 62% | 0.622 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 0.3 | 177.6 | -52.8 | 0 | 0 | 0 | 0 | 114 | D237 | D237-S239 PolarHBondContact O-N 3Å; D237-S239 WeakPolarHBondContact OD1-CB 3.46Å; D237-S239 PolarHBondContact OD1-N 2.95Å; D237-S239 PolarHBondContact OD1-OG 3.24Å |
| 240 | H | 55.2 | Low | 46.6 | Very low | 156 Ų | 156 | 125.8 Ų | 125.8 | 72% | 0.722 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | 1.4 | -174.5 | -70.1 | -69.6 | 0 | 0 | 0 | 115.6 | D237 D238 | D237-H240 IonicContact OD2-NE2 2.68Å; D238-H240 PolarHBondContact O-N 3.13Å |
| 241 | L | 46.4 | Very low | 48.6 | Very low | 151 Ų | 151 | 122.5 Ų | 122.5 | 79% | 0.791 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -112 | 1.5 | 179.3 | -66.2 | -178.6 | 0 | 0 | 0 | 115.6 | ||
| 242 | N | 41.7 | Very low | 51.2 | Low | 139 Ų | 139 | 111.4 Ų | 111.4 | 74% | 0.743 | 60% | 0.603 | S | S | * | * | trans | -108.4 | 61.6 | 177.3 | -65.7 | -46.1 | 0 | 0 | 0 | 111.4 | I244 | N242-I244 PolarHBondContact O-N 2.74Š| ||
| 243 | A | 38.8 | Very low | 53.3 | Low | 97 Ų | 97 | 104.4 Ų | 104.4 | 80% | 0.802 | 57% | 0.567 | S | S | * | * | trans | -81 | 62 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 244 | I | 42.3 | Very low | 55.9 | Low | 134 Ų | 134 | 95.7 Ų | 95.7 | 69% | 0.687 | 53% | 0.526 | S | S | * | . | trans | -143.4 | 96.5 | 153.7 | -53.7 | 179.7 | 0 | 0 | 0 | 105.5 | N242 D246 | N242-I244 PolarHBondContact O-N 2.74Å; I244-D246 PolarHBondContact O-N 3.1Å | ||
| 245 | E | 50.5 | Low | 58.2 | Low | 198 Ų | 198 | 84.6 Ų | 84.6 | 93% | 0.925 | 48% | 0.484 | S | S | * | . | trans | -66.9 | 73.6 | 167.3 | -71 | 174.9 | 149.8 | 0 | 0 | 109.2 | ||||
| 246 | D | 47.6 | Very low | 60.5 | Low | 55 Ų | 55 | 80.5 Ų | 80.5 | 29% | 0.294 | 45% | 0.452 | S | S | . | . | trans | -81.4 | 113.9 | 161.9 | -87.1 | -14.6 | 0 | 0 | 0 | 106.6 | R164 I244 S248 | R164-D246 IonicContact CZ-OD2 2.8Å; R164-D246 IonicContact NE-OD2 2.76Å; R164-D246 IonicContact NH2-OD1 2.78Å; R164-D246 IonicContact NH2-OD2 3.92Å; R164-D246 PolarHBondContact NH2-OD2 2.8Å; I244-D246 PolarHBondContact O-N 3.1Å; D246-S248 PolarHBondContact O-N 3.11Å; D246-S248 PolarHBondContact O-OG 3.29Å | ||
| 247 | A | 47.8 | Very low | 62.7 | Low | 47 Ų | 47 | 74.9 Ų | 74.9 | 39% | 0.388 | 42% | 0.418 | S | S | . | . | trans | -45.1 | 108.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | F249 | A247-F249 HydrophobicContact CB-CD2 3.82Å; A247-F249 HydrophobicContact CB-CE2 3.33Å; A247-F249 HydrophobicContact CB-CZ 4.04Å; A247-F249 WeakPolarHBondContact O-CD2 3.4Å; A247-F249 PolarHBondContact O-N 3.35Å | ||
| 248 | S | 58.2 | Low | 64.5 | Low | 123 Ų | 123 | 72.8 Ų | 72.8 | 86% | 0.86 | 41% | 0.411 | S | S | * | . | trans | -75.9 | 70.8 | -167.4 | -67.8 | 0 | 0 | 0 | 0 | 111.1 | D246 | D246-S248 PolarHBondContact O-N 3.11Å; D246-S248 PolarHBondContact O-OG 3.29Å | ||
| 249 | F | 67.2 | Low | 65.9 | Low | 40 Ų | 40 | 74.4 Ų | 74.4 | 18% | 0.175 | 41% | 0.412 | C | S | . | . | trans | -70.8 | 143.7 | 170.2 | -62.8 | -74.7 | 0 | 0 | 0 | 109.3 | K160 G173 E175 A247 Y251 E252 | K160-F249 HydrophobicContact CB-CZ 4.42Å; K160-F249 HydrophobicContact CG-CE1 4.28Å; K160-F249 HydrophobicContact CG-CE2 4.38Å; K160-F249 HydrophobicContact CG-CZ 3.75Å; G173-F249 VanDerWaalsContact CA-CD2 3.45Å; E175-F249 HydrophobicContact CG-CD1 4.14Å; E175-F249 HydrophobicContact CG-CE1 4.19Å; A247-F249 HydrophobicContact CB-CD2 3.82Å; A247-F249 HydrophobicContact CB-CE2 3.33Å; A247-F249 HydrophobicContact CB-CZ 4.04Å; A247-F249 WeakPolarHBondContact O-CD2 3.4Å; A247-F249 PolarHBondContact O-N 3.35Å; F249-Y251 PolarHBondContact O-N 3.1Å; F249-E252 HydrophobicContact CB-CG 4.5Å | ||
| 250 | L | 75.4 | Confident | 67 | Low | 79 Ų | 79 | 76.1 Ų | 76.1 | 41% | 0.414 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -72.3 | -21.7 | 178.1 | -71.4 | 175.7 | 0 | 0 | 0 | 112.7 | T180 S274 T275 | T180-L250 HydrophobicContact CG2-CD1 4.18Å; L250-S274 WeakPolarHBondContact O-CA 3Å; L250-S274 PolarHBondContact O-OG 2.98Å; L250-T275 WeakPolarHBondContact CA-OG1 3.33Å; L250-T275 PolarHBondContact O-N 2.67Å; L250-T275 VanDerWaalsContact O-N 3.07Å; L250-T275 PolarHBondContact O-OG1 3.03Å |
| 251 | Y | 83.6 | Confident | 68.2 | Low | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.008 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 134 | -179 | -49.7 | -78.2 | 0 | 0 | 0 | 108.4 | L174 L176 L179 T180 F249 F272 Y273 S274 N276 L279 | L174-Y251 PolarHBondContact N-O 2.81Å; L176-Y251 HydrophobicContact CB-CD2 3.68Å; L176-Y251 HydrophobicContact CB-CE2 3.96Å; L176-Y251 HydrophobicContact CB-CG 4.28Å; L176-Y251 HydrophobicContact CD1-CD2 4.38Å; L176-Y251 HydrophobicContact CD1-CG 4.15Å; L176-Y251 HydrophobicContact CG-CD2 4.17Å; L176-Y251 HydrophobicContact CG-CG 4.4Å; L176-Y251 WeakPolarHBondContact O-CE2 3.47Å; L179-Y251 HydrophobicContact CB-CE1 4.16Å; L179-Y251 HydrophobicContact CB-CE2 4.18Å; L179-Y251 WeakPolarHBondContact CB-OH 3.46Å; L179-Y251 HydrophobicContact CD1-CD1 4.08Å; L179-Y251 HydrophobicContact CD1-CE1 3.82Å; T180-Y251 PolarHBondContact N-OH 3.38Å; T180-Y251 WeakPolarHBondContact OG1-CE2 3.36Å; T180-Y251 PolarHBondContact OG1-OH 3.08Å; F249-Y251 PolarHBondContact O-N 3.1Å; Y251-F272 AromaticContact CD1-CE1 3.92Å; Y251-F272 HydrophobicContact CD1-CE1 3.92Å; Y251-F272 AromaticContact CD1-CZ 3.5Å; Y251-F272 HydrophobicContact CD1-CZ 3.5Å; Y251-F272 VanDerWaalsContact CD1-CZ 3.5Å; Y251-F272 HydrophobicContact CE1-CZ 4.41Å; Y251-F272 AromaticContact CG-CZ 3.98Å; Y251-F272 HydrophobicContact CG-CZ 3.98Å; Y251-Y273 WeakPolarHBondContact CA-O 3.37Å; Y251-S274 VanDerWaalsContact CD1-OG 3.27Å; Y251-S274 WeakPolarHBondContact CD1-OG 3.42Å; Y251-S274 VanDerWaalsContact CE1-OG 3.22Å; Y251-S274 WeakPolarHBondContact CE1-OG 3.03Å; Y251-N276 HydrophobicContact CE1-CB 4.18Å; Y251-N276 PolarHBondContact OH-ND2 2.81Å; Y251-L279 HydrophobicContact CE1-CD2 4.27Å |
| 252 | E | 87.8 | Confident | 69.9 | Low | 18 Ų | 18 | 63.1 Ų | 63.1 | 8% | 0.084 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 141.1 | 174.3 | -62.3 | 169.1 | -148.6 | 0 | 0 | 108.4 | R164 T171 I172 F249 Y273 | R164-E252 IonicContact CZ-OE2 3.74Å; R164-E252 IonicContact NH1-OE2 3.98Å; R164-E252 PolarHBondContact NH1-OE2 2.94Å; R164-E252 IonicContact NH2-OE2 3.94Å; R164-E252 PolarHBondContact NH2-OE2 3.1Å; T171-E252 HydrophobicContact CG2-CB 4.03Å; T171-E252 HydrophobicContact CG2-CG 4.24Å; T171-E252 VanDerWaalsContact CG2-OE2 3.32Å; T171-E252 WeakPolarHBondContact CG2-OE2 3.28Å; I172-E252 CarbonylContact O-C 3.52Å; I172-E252 VanDerWaalsContact O-CA 3.31Å; I172-E252 WeakPolarHBondContact O-CA 3.31Å; F249-E252 HydrophobicContact CB-CG 4.5Å; E252-Y273 HydrophobicContact CB-CD1 3.93Å; E252-Y273 HydrophobicContact CG-CD1 4.1Å; E252-Y273 PolarHBondContact N-O 3.04Å; E252-Y273 WeakPolarHBondContact O-CA 3.48Å; E252-Y273 WeakPolarHBondContact O-CB 3.22Å; E252-Y273 PolarHBondContact O-N 3.23Å |
| 253 | L | 88.3 | Confident | 71.9 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 119.3 | 168.5 | -179.5 | 64.6 | 0 | 0 | 0 | 108.2 | T171 I172 L174 I255 V270 L291 I310 L313 | T171-L253 CarbonylContact C-O 3.46Å; T171-L253 WeakPolarHBondContact CA-O 3.46Å; I172-L253 HydrophobicContact CB-CB 4.4Å; I172-L253 HydrophobicContact CD1-CD2 4.46Å; I172-L253 PolarHBondContact N-O 3.31Å; I172-L253 PolarHBondContact O-N 2.87Å; L174-L253 HydrophobicContact CD1-CB 3.9Å; L174-L253 HydrophobicContact CG-CB 4.47Å; L253-I255 HydrophobicContact CD2-CD1 4.31Å; L253-I255 HydrophobicContact CG-CG1 4.29Å; L253-V270 HydrophobicContact CD1-CG1 3.47Å; L253-V270 VanDerWaalsContact CD1-CG1 3.47Å; L253-V270 HydrophobicContact CG-CG1 4.48Å; L253-L291 HydrophobicContact CD1-CD1 3.67Å; L253-I310 HydrophobicContact CD2-CG1 4.21Å; L253-L313 HydrophobicContact CB-CD1 4.5Å; L253-L313 HydrophobicContact CD1-CD1 4.05Å; L253-L313 HydrophobicContact CD2-CD1 3.96Å; L253-L313 HydrophobicContact CG-CD1 4.41Å |
| 254 | E | 89.6 | Confident | 74 | Confident | 8 Ų | 8 | 52.2 Ų | 52.2 | 4% | 0.037 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 128.7 | 175.5 | -171 | 178 | 145.1 | 0 | 0 | 109.9 | Y90 V169 W170 R256 A271 | Y90-E254 HydrophobicContact CE1-CB 4.47Å; Y90-E254 PolarHBondContact OH-OE2 3.33Å; V169-E254 HydrophobicContact CG1-CG 3.74Å; W170-E254 WeakPolarHBondContact O-CA 3.45Å; E254-R256 HydrophobicContact CG-CG 4.12Å; E254-R256 WeakPolarHBondContact OE1-CD 3.28Å; E254-R256 IonicContact OE1-CZ 3.71Å; E254-R256 IonicContact OE1-NE 2.98Å; E254-R256 IonicContact OE1-NH1 3.68Å; E254-R256 PolarHBondContact OE1-NH1 3.48Å; E254-A271 HydrophobicContact CB-CB 4.43Å; E254-A271 PolarHBondContact N-O 3.06Å; E254-A271 PolarHBondContact O-N 3.45Å |
| 255 | I | 89.4 | Confident | 75.8 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 124.8 | 177.7 | -56.3 | -178 | 0 | 0 | 0 | 107.6 | V169 W170 I172 L253 F257 P268 L269 V306 | V169-I255 WeakPolarHBondContact CA-O 3.39Å; W170-I255 HydrophobicContact CB-CB 4.39Å; W170-I255 PolarHBondContact N-O 3.44Å; W170-I255 PolarHBondContact O-N 2.89Å; I172-I255 HydrophobicContact CD1-CD1 4.1Å; I172-I255 HydrophobicContact CD1-CG1 4.45Å; L253-I255 HydrophobicContact CD2-CD1 4.31Å; L253-I255 HydrophobicContact CG-CG1 4.29Å; I255-F257 HydrophobicContact CG2-CE1 4.16Å; I255-F257 HydrophobicContact CG2-CE2 4.05Å; I255-F257 HydrophobicContact CG2-CZ 3.71Å; I255-P268 HydrophobicContact CG2-CB 3.68Å; I255-P268 HydrophobicContact CG2-CG 3.8Å; I255-L269 WeakPolarHBondContact CA-O 3.45Å; I255-V306 HydrophobicContact CD1-CB 3.92Å; I255-V306 HydrophobicContact CD1-CG1 3.43Å; I255-V306 VanDerWaalsContact CD1-CG1 3.43Å; I255-V306 HydrophobicContact CD1-CG2 3.47Å; I255-V306 VanDerWaalsContact CD1-CG2 3.47Å |
| 256 | R | 86.6 | Confident | 77.4 | Confident | 22 Ų | 22 | 41.7 Ų | 41.7 | 8% | 0.083 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 132.3 | -175.8 | -55.9 | -174.5 | 69.1 | 95.9 | 1.3 | 110.9 | E113 R168 V169 E254 L269 | E113-R256 IonicContact OE1-CZ 3.51Å; E113-R256 VanDerWaalsContact OE1-CZ 3.28Å; E113-R256 IonicContact OE1-NE 3.83Å; E113-R256 PolarHBondContact OE1-NE 3.4Å; E113-R256 IonicContact OE1-NH2 3.06Å; E113-R256 PolarHBondContact OE1-NH2 3.04Å; R168-R256 CarbonylContact O-C 3.55Å; R168-R256 WeakPolarHBondContact O-CA 3.38Å; V169-R256 HydrophobicContact CG1-CG 4.5Å; V169-R256 HydrophobicContact CG2-CG 4.34Å; E254-R256 HydrophobicContact CG-CG 4.12Å; E254-R256 WeakPolarHBondContact OE1-CD 3.28Å; E254-R256 IonicContact OE1-CZ 3.71Å; E254-R256 IonicContact OE1-NE 2.98Å; E254-R256 IonicContact OE1-NH1 3.68Å; E254-R256 PolarHBondContact OE1-NH1 3.48Å; R256-L269 HydrophobicContact CB-CB 4.23Å; R256-L269 PolarHBondContact N-O 3.45Å; R256-L269 PolarHBondContact O-N 2.93Å; R256-L269 VanDerWaalsContact O-N 3.08Å |
| 257 | F | 86.3 | Confident | 79.2 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | trans | -115.3 | 121.9 | 174.2 | -49.8 | -81.6 | 0 | 0 | 0 | 108.9 | R168 W170 I255 H261 Y263 P268 | R168-F257 PolarHBondContact O-N 3.33Å; W170-F257 AromaticContact CD2-CE2 3.66Å; W170-F257 HydrophobicContact CD2-CE2 3.66Å; W170-F257 HydrophobicContact CD2-CZ 4.17Å; W170-F257 AromaticContact CE2-CE2 3.8Å; W170-F257 AromaticContact CE3-CE2 3.9Å; W170-F257 HydrophobicContact CE3-CE2 3.9Å; W170-F257 AromaticContact CE3-CZ 3.92Å; W170-F257 HydrophobicContact CE3-CZ 3.92Å; W170-F257 HydrophobicContact CG-CE2 4.08Å; W170-F257 HydrophobicContact CH2-CE2 4.38Å; W170-F257 HydrophobicContact CH2-CZ 4.22Å; W170-F257 HydrophobicContact CZ2-CE2 4.17Å; W170-F257 HydrophobicContact CZ2-CZ 4.45Å; W170-F257 HydrophobicContact CZ3-CE2 4.26Å; W170-F257 AromaticContact CZ3-CZ 3.95Å; W170-F257 HydrophobicContact CZ3-CZ 3.95Å; I255-F257 HydrophobicContact CG2-CE1 4.16Å; I255-F257 HydrophobicContact CG2-CE2 4.05Å; I255-F257 HydrophobicContact CG2-CZ 3.71Å; F257-H261 HydrophobicContact CB-CB 4.21Å; F257-H261 AromaticContact CD1-CD2 3.8Å; F257-Y263 HydrophobicContact CD1-CG 4.36Å; F257-Y263 HydrophobicContact CE1-CD1 4.25Å; F257-Y263 AromaticContact CE1-CD2 3.76Å; F257-Y263 HydrophobicContact CE1-CD2 3.76Å; F257-Y263 HydrophobicContact CE1-CE2 4.32Å; F257-Y263 AromaticContact CE1-CG 3.71Å; F257-Y263 HydrophobicContact CE1-CG 3.71Å; F257-P268 HydrophobicContact CD1-CB 3.76Å; F257-P268 HydrophobicContact CE1-CB 3.54Å; F257-P268 HydrophobicContact CE1-CG 4.12Å; F257-P268 HydrophobicContact CZ-CB 4.38Å | ||
| 258 | S | 80.1 | Confident | 81.1 | Confident | 50 Ų | 50 | 37.1 Ų | 37.1 | 35% | 0.35 | 19% | 0.194 | S | C | . | . | trans | -64.5 | 162 | 168.9 | -57.1 | 0 | 0 | 0 | 0 | 110.7 | D260 H261 | S258-D260 PolarHBondContact O-N 2.8Å; S258-D260 VanDerWaalsContact O-N 3.13Å; S258-H261 WeakPolarHBondContact O-CB 3.26Å; S258-H261 PolarHBondContact O-N 3.06Å | ||
| 259 | K | 70.9 | Confident | 82.5 | Confident | 154 Ų | 154 | 31.7 Ų | 31.7 | 67% | 0.67 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -34.9 | -173.8 | -64.8 | -175.4 | -172.5 | 175.9 | 0 | 114 | R168 | R168-K259 VanDerWaalsContact NH2-CE 3.33Š|
| 260 | D | 73.5 | Confident | 83.5 | Confident | 125 Ų | 125 | 29.8 Ų | 29.8 | 67% | 0.668 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.2 | 22.9 | -178.2 | -51.6 | -48.7 | 0 | 0 | 0 | 112.5 | S258 K262 | S258-D260 PolarHBondContact O-N 2.8Å; S258-D260 VanDerWaalsContact O-N 3.13Å; D260-K262 PolarHBondContact O-N 2.54Å |
| 261 | H | 80.6 | Confident | 84 | Confident | 12 Ų | 12 | 26.1 Ų | 26.1 | 6% | 0.056 | 13% | 0.127 | C | C | . | . | trans | -74.4 | 126.2 | -173.9 | -169.9 | 88.5 | 0 | 0 | 0 | 112.1 | R146 F257 S258 Y263 Q266 A267 | R146-H261 PolarHBondContact NH2-O 3.19Å; F257-H261 HydrophobicContact CB-CB 4.21Å; F257-H261 AromaticContact CD1-CD2 3.8Å; S258-H261 WeakPolarHBondContact O-CB 3.26Å; S258-H261 PolarHBondContact O-N 3.06Å; H261-Y263 PolarHBondContact O-N 3.3Å; H261-Q266 WeakPolarHBondContact CE1-CG 3.49Å; H261-Q266 VanDerWaalsContact ND1-CD 3.32Å; H261-Q266 PolarHBondContact ND1-NE2 2.98Å; H261-Q266 PolarHBondContact ND1-OE1 2.92Å; H261-Q266 PolarHBondContact NE2-O 3.35Å; H261-A267 PolarHBondContact CE1-O 2.71Å | ||
| 262 | K | 81.8 | Confident | 84.2 | Confident | 21 Ų | 21 | 26 Ų | 26 | 9% | 0.091 | 13% | 0.127 | C | C | . | . | trans | -95.7 | 62.3 | -172.7 | -63.4 | -170.5 | 172 | -141.3 | 0 | 112.7 | V134 N135 I137 L139 D260 Y265 Q266 | V134-K262 HydrophobicContact CG1-CB 3.7Å; V134-K262 HydrophobicContact CG1-CD 3.68Å; V134-K262 HydrophobicContact CG1-CG 4.33Å; V134-K262 WeakPolarHBondContact O-CD 3.35Å; V134-K262 WeakPolarHBondContact O-CE 3.46Å; V134-K262 PolarHBondContact O-NZ 2.92Å; N135-K262 VanDerWaalsContact CA-NZ 3.34Å; N135-K262 PolarHBondContact O-NZ 2.88Å; I137-K262 PolarHBondContact O-NZ 2.49Å; L139-K262 HydrophobicContact CD2-CG 4.23Å; D260-K262 PolarHBondContact O-N 2.54Å; K262-Y265 CarbonylContact O-C 3.56Å; K262-Y265 WeakPolarHBondContact O-CA 3.5Å; K262-Y265 WeakPolarHBondContact O-CB 3.34Å; K262-Y265 PolarHBondContact O-N 3.43Å; K262-Q266 HydrophobicContact CB-CB 4.37Å; K262-Q266 VanDerWaalsContact N-OE1 3.11Å; K262-Q266 WeakPolarHBondContact O-CB 3.5Å; K262-Q266 PolarHBondContact O-N 3.17Å | ||
| 263 | Y | 83.3 | Confident | 84 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.008 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | 139.4 | 173.5 | -174.7 | -99.4 | 0 | 0 | 0 | 110.9 | C142 R146 E149 F257 H261 P268 P304 V305 | C142-Y263 VanDerWaalsContact CB-O 3.31Å; C142-Y263 WeakPolarHBondContact CB-O 3.43Å; R146-Y263 HydrophobicContact CB-CD1 4.32Å; E149-Y263 PolarHBondContact OE1-OH 3.36Å; E149-Y263 WeakPolarHBondContact OE2-CE1 3.46Å; E149-Y263 PolarHBondContact OE2-OH 3.46Å; F257-Y263 HydrophobicContact CD1-CG 4.36Å; F257-Y263 HydrophobicContact CE1-CD1 4.25Å; F257-Y263 AromaticContact CE1-CD2 3.76Å; F257-Y263 HydrophobicContact CE1-CD2 3.76Å; F257-Y263 HydrophobicContact CE1-CE2 4.32Å; F257-Y263 AromaticContact CE1-CG 3.71Å; F257-Y263 HydrophobicContact CE1-CG 3.71Å; H261-Y263 PolarHBondContact O-N 3.3Å; Y263-P268 HydrophobicContact CD2-CG 4.12Å; Y263-P268 HydrophobicContact CE2-CG 4.04Å; Y263-P304 WeakPolarHBondContact OH-CA 3.39Å; Y263-V305 HydrophobicContact CE2-CG1 4.15Å; Y263-V305 HydrophobicContact CE2-CG2 3.76Å; Y263-V305 PolarHBondContact OH-N 3.49Å |
| 264 | P | 82.3 | Confident | 83.7 | Confident | 5 Ų | 5 | 26.1 Ų | 26.1 | 3% | 0.032 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -87.7 | -3.8 | 6.5 | 33.8 | -35 | 0 | 0 | 0 | 115.6 | Q266 | P264-Q266 PolarHBondContact O-N 2.98Š|
| 265 | Y | 81.2 | Confident | 83 | Confident | 69 Ų | 69 | 28.4 Ų | 28.4 | 27% | 0.271 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -16.1 | -179.1 | -52.9 | -78.1 | 0 | 0 | 0 | 114.4 | I137 K262 S302 | I137-Y265 HydrophobicContact CD1-CD1 3.8Å; I137-Y265 HydrophobicContact CD1-CD2 3.62Å; I137-Y265 HydrophobicContact CD1-CE1 3.98Å; I137-Y265 HydrophobicContact CD1-CE2 3.81Å; I137-Y265 HydrophobicContact CD1-CG 3.62Å; I137-Y265 HydrophobicContact CG2-CD2 4.39Å; I137-Y265 HydrophobicContact CG2-CE2 4.02Å; K262-Y265 CarbonylContact O-C 3.56Å; K262-Y265 WeakPolarHBondContact O-CA 3.5Å; K262-Y265 WeakPolarHBondContact O-CB 3.34Å; K262-Y265 PolarHBondContact O-N 3.43Å; Y265-S302 VanDerWaalsContact CE1-CB 3.49Å |
| 266 | Q | 83.9 | Confident | 82.2 | Confident | 42 Ų | 42 | 29 Ų | 29 | 20% | 0.196 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -124 | 127.6 | 178.3 | -170.3 | -171.9 | -5.3 | 0 | 0 | 109.4 | I130 H261 K262 P264 | I130-Q266 VanDerWaalsContact CD1-CD 3.5Å; I130-Q266 HydrophobicContact CD1-CG 4.38Å; I130-Q266 VanDerWaalsContact CD1-NE2 3.34Å; I130-Q266 HydrophobicContact CG1-CG 4.1Å; H261-Q266 WeakPolarHBondContact CE1-CG 3.49Å; H261-Q266 VanDerWaalsContact ND1-CD 3.32Å; H261-Q266 PolarHBondContact ND1-NE2 2.98Å; H261-Q266 PolarHBondContact ND1-OE1 2.92Å; H261-Q266 PolarHBondContact NE2-O 3.35Å; K262-Q266 HydrophobicContact CB-CB 4.37Å; K262-Q266 VanDerWaalsContact N-OE1 3.11Å; K262-Q266 WeakPolarHBondContact O-CB 3.5Å; K262-Q266 PolarHBondContact O-N 3.17Å; P264-Q266 PolarHBondContact O-N 2.98Å |
| 267 | A | 85.3 | Confident | 81.4 | Confident | 7 Ų | 7 | 36.8 Ų | 36.8 | 6% | 0.058 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -62.4 | 123.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | H261 Y292 A295 L296 A299 | H261-A267 PolarHBondContact CE1-O 2.71Å; A267-Y292 HydrophobicContact CB-CE2 4.27Å; A267-A295 HydrophobicContact CB-CB 4.05Å; A267-L296 HydrophobicContact CB-CD2 3.71Å; A267-L296 HydrophobicContact CB-CG 4.11Å; A267-A299 HydrophobicContact CB-CB 4.12Å |
| 268 | P | 87.5 | Confident | 80.5 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -72.3 | 160.7 | 179 | 31.5 | -34.8 | 0 | 0 | 0 | 111.6 | I255 F257 Y263 V270 Y292 V305 | I255-P268 HydrophobicContact CG2-CB 3.68Å; I255-P268 HydrophobicContact CG2-CG 3.8Å; F257-P268 HydrophobicContact CD1-CB 3.76Å; F257-P268 HydrophobicContact CE1-CB 3.54Å; F257-P268 HydrophobicContact CE1-CG 4.12Å; F257-P268 HydrophobicContact CZ-CB 4.38Å; Y263-P268 HydrophobicContact CD2-CG 4.12Å; Y263-P268 HydrophobicContact CE2-CG 4.04Å; P268-V270 PolarHBondContact O-N 3.12Å; P268-Y292 WeakPolarHBondContact O-CD2 3.43Å; P268-Y292 WeakPolarHBondContact O-CE2 3.29Å; P268-V305 HydrophobicContact CG-CG2 4.01Å |
| 269 | L | 87.6 | Confident | 80.3 | Confident | 9 Ų | 9 | 38.5 Ų | 38.5 | 5% | 0.047 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 123.4 | 173.5 | -67.3 | 176 | 0 | 0 | 0 | 108.9 | E113 L116 F120 M128 I255 R256 Y292 | E113-L269 HydrophobicContact CB-CD1 4.13Å; E113-L269 HydrophobicContact CG-CD1 4.04Å; L116-L269 HydrophobicContact CB-CD2 4.44Å; F120-L269 HydrophobicContact CD2-CD2 3.79Å; F120-L269 HydrophobicContact CE2-CD2 4.02Å; M128-L269 HydrophobicContact CE-CD2 4.26Å; I255-L269 WeakPolarHBondContact CA-O 3.45Å; R256-L269 HydrophobicContact CB-CB 4.23Å; R256-L269 PolarHBondContact N-O 3.45Å; R256-L269 PolarHBondContact O-N 2.93Å; R256-L269 VanDerWaalsContact O-N 3.08Å; L269-Y292 HydrophobicContact CD2-CE2 4.33Å |
| 270 | V | 88.4 | Confident | 80.5 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 132.5 | -177.9 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | F120 L253 P268 L291 L309 | F120-V270 WeakPolarHBondContact CZ-O 3.43Å; L253-V270 HydrophobicContact CD1-CG1 3.47Å; L253-V270 VanDerWaalsContact CD1-CG1 3.47Å; L253-V270 HydrophobicContact CG-CG1 4.48Å; P268-V270 PolarHBondContact O-N 3.12Å; V270-L291 HydrophobicContact CB-CB 4.37Å; V270-L291 HydrophobicContact CG1-CB 3.79Å; V270-L291 HydrophobicContact CG1-CD1 3.8Å; V270-L291 HydrophobicContact CG1-CG 4.46Å; V270-L309 HydrophobicContact CG2-CD1 3.97Å |
| 271 | A | 86.6 | Confident | 80.6 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 128.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y90 L116 E254 | Y90-A271 HydrophobicContact CD1-CB 3.76Å; Y90-A271 HydrophobicContact CE1-CB 3.99Å; L116-A271 HydrophobicContact CD1-CB 3.82Å; L116-A271 HydrophobicContact CD2-CB 4.32Å; E254-A271 HydrophobicContact CB-CB 4.43Å; E254-A271 PolarHBondContact N-O 3.06Å; E254-A271 PolarHBondContact O-N 3.45Å |
| 272 | F | 86.3 | Confident | 80.4 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 115.7 | 173.5 | -173.3 | -101.4 | 0 | 0 | 0 | 110.4 | L176 L179 Y251 L279 R284 I287 S288 | L176-F272 HydrophobicContact CD1-CE2 3.79Å; L176-F272 HydrophobicContact CD1-CZ 3.9Å; L179-F272 HydrophobicContact CD1-CZ 3.99Å; Y251-F272 AromaticContact CD1-CE1 3.92Å; Y251-F272 HydrophobicContact CD1-CE1 3.92Å; Y251-F272 AromaticContact CD1-CZ 3.5Å; Y251-F272 HydrophobicContact CD1-CZ 3.5Å; Y251-F272 VanDerWaalsContact CD1-CZ 3.5Å; Y251-F272 HydrophobicContact CE1-CZ 4.41Å; Y251-F272 AromaticContact CG-CZ 3.98Å; Y251-F272 HydrophobicContact CG-CZ 3.98Å; F272-L279 HydrophobicContact CE1-CD2 3.85Å; F272-R284 HydrophobicContact CD1-CB 4.28Å; F272-R284 HydrophobicContact CD1-CG 4.32Å; F272-I287 HydrophobicContact CB-CB 4.42Å; F272-I287 HydrophobicContact CB-CG2 3.96Å; F272-I287 HydrophobicContact CD1-CD1 4.23Å; F272-I287 HydrophobicContact CD1-CG2 4.37Å; F272-I287 HydrophobicContact CD2-CG2 3.89Å; F272-I287 HydrophobicContact CE1-CD1 4.11Å; F272-I287 HydrophobicContact CE2-CG2 4.47Å; F272-I287 HydrophobicContact CG-CB 4.39Å; F272-I287 HydrophobicContact CG-CG2 3.81Å; F272-I287 HydrophobicContact CZ-CD1 4.47Å; F272-S288 WeakPolarHBondContact CB-OG 3.46Å; F272-S288 PolarHBondContact N-OG 3.37Å |
| 273 | Y | 84.9 | Confident | 80.1 | Confident | 20 Ų | 20 | 29.3 Ų | 29.3 | 8% | 0.078 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 135.7 | 176.5 | 177.6 | -97.9 | 0 | 0 | 0 | 110.5 | R89 Y90 Y251 E252 T275 | R89-Y273 HydrophobicContact CB-CD2 3.91Å; R89-Y273 HydrophobicContact CB-CE2 3.5Å; R89-Y273 VanDerWaalsContact CB-CE2 3.5Å; R89-Y273 VanDerWaalsContact CD-OH 3.31Å; R89-Y273 WeakPolarHBondContact CD-OH 3.27Å; R89-Y273 HydrophobicContact CG-CE2 4.2Å; R89-Y273 PolarHBondContact NH1-OH 3.06Å; Y90-Y273 HydrophobicContact CD1-CD2 4.3Å; Y90-Y273 HydrophobicContact CD2-CD2 4.3Å; Y90-Y273 AromaticContact CE1-CD2 3.94Å; Y90-Y273 HydrophobicContact CE1-CD2 3.94Å; Y90-Y273 HydrophobicContact CE1-CG 4.29Å; Y90-Y273 AromaticContact CE2-CD2 3.9Å; Y90-Y273 HydrophobicContact CE2-CD2 3.9Å; Y90-Y273 HydrophobicContact CE2-CE2 4.44Å; Y90-Y273 HydrophobicContact CG-CD2 4.49Å; Y90-Y273 AromaticContact CZ-CD2 3.72Å; Y251-Y273 WeakPolarHBondContact CA-O 3.37Å; E252-Y273 HydrophobicContact CB-CD1 3.93Å; E252-Y273 HydrophobicContact CG-CD1 4.1Å; E252-Y273 PolarHBondContact N-O 3.04Å; E252-Y273 WeakPolarHBondContact O-CA 3.48Å; E252-Y273 WeakPolarHBondContact O-CB 3.22Å; E252-Y273 PolarHBondContact O-N 3.23Å; Y273-T275 HydrophobicContact CE1-CG2 3.59Å |
| 274 | S | 81.7 | Confident | 80 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 134.6 | 174.6 | -173.8 | 0 | 0 | 0 | 0 | 111.8 | L250 Y251 N276 | L250-S274 WeakPolarHBondContact O-CA 3Å; L250-S274 PolarHBondContact O-OG 2.98Å; Y251-S274 VanDerWaalsContact CD1-OG 3.27Å; Y251-S274 WeakPolarHBondContact CD1-OG 3.42Å; Y251-S274 VanDerWaalsContact CE1-OG 3.22Å; Y251-S274 WeakPolarHBondContact CE1-OG 3.03Å; S274-N276 PolarHBondContact OG-N 3.29Å; S274-N276 VanDerWaalsContact OG-N 3.16Å |
| 275 | T | 74.9 | Confident | 80 | Confident | 55 Ų | 55 | 29.8 Ų | 29.8 | 34% | 0.337 | 15% | 0.151 | S | C | . | . | trans | -89.2 | -5.4 | 170.1 | 55.6 | 0 | 0 | 0 | 0 | 112.3 | L250 Y273 E277 | L250-T275 WeakPolarHBondContact CA-OG1 3.33Å; L250-T275 PolarHBondContact O-N 2.67Å; L250-T275 VanDerWaalsContact O-N 3.07Å; L250-T275 PolarHBondContact O-OG1 3.03Å; Y273-T275 HydrophobicContact CE1-CG2 3.59Å; T275-E277 PolarHBondContact O-N 2.88Å | ||
| 276 | N | 72.8 | Confident | 79.9 | Confident | 14 Ų | 14 | 27.8 Ų | 27.8 | 8% | 0.075 | 14% | 0.144 | C | C | . | . | trans | -79.9 | 110.3 | -179.2 | -171.5 | -8.3 | 0 | 0 | 0 | 111.6 | Y251 S274 N278 L279 R284 | Y251-N276 HydrophobicContact CE1-CB 4.18Å; Y251-N276 PolarHBondContact OH-ND2 2.81Å; S274-N276 PolarHBondContact OG-N 3.29Å; S274-N276 VanDerWaalsContact OG-N 3.16Å; N276-N278 PolarHBondContact O-N 3.46Å; N276-N278 WeakPolarHBondContact OD1-CB 3.41Å; N276-N278 PolarHBondContact OD1-N 3.05Å; N276-N278 PolarHBondContact OD1-ND2 3.03Å; N276-L279 PolarHBondContact O-N 3.33Å; N276-R284 PolarHBondContact O-NH2 2.85Å | ||
| 277 | E | 69.1 | Low | 79.9 | Confident | 184 Ų | 184 | 25.8 Ų | 25.8 | 86% | 0.86 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -20.1 | 177.1 | -61.1 | -173.9 | 166.3 | 0 | 0 | 114 | T275 L279 | T275-E277 PolarHBondContact O-N 2.88Å; E277-L279 VanDerWaalsContact C-N 3.33Å |
| 278 | N | 67.9 | Low | 80 | Confident | 85 Ų | 85 | 25.5 Ų | 25.5 | 46% | 0.455 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -14.1 | -178.6 | -56.6 | -70.6 | 0 | 0 | 0 | 113.5 | F183 N276 | F183-N278 HydrophobicContact CB-CB 3.79Å; F183-N278 WeakPolarHBondContact CD1-O 3.3Å; F183-N278 WeakPolarHBondContact O-CB 3.48Å; N276-N278 PolarHBondContact O-N 3.46Å; N276-N278 WeakPolarHBondContact OD1-CB 3.41Å; N276-N278 PolarHBondContact OD1-N 3.05Å; N276-N278 PolarHBondContact OD1-ND2 3.03Å |
| 279 | L | 75.5 | Confident | 79.9 | Confident | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -84.8 | 120.5 | 178 | -176.6 | 67.3 | 0 | 0 | 0 | 109.6 | F183 Y251 F272 N276 E277 C283 R284 L323 | F183-L279 HydrophobicContact CD2-CD1 3.83Å; F183-L279 HydrophobicContact CE2-CD1 3.34Å; F183-L279 HydrophobicContact CZ-CD1 3.81Å; Y251-L279 HydrophobicContact CE1-CD2 4.27Å; F272-L279 HydrophobicContact CE1-CD2 3.85Å; N276-L279 PolarHBondContact O-N 3.33Å; E277-L279 VanDerWaalsContact C-N 3.33Å; L279-C283 HydrophobicContact CD1-CB 3.99Å; L279-C283 HydrophobicContact CG-CB 4.44Å; L279-R284 HydrophobicContact CD2-CG 3.64Å; L279-R284 HydrophobicContact CG-CG 4.09Å; L279-R284 PolarHBondContact O-NH2 3.09Å; L279-R284 VanDerWaalsContact O-NH2 3.09Å; L279-L323 HydrophobicContact CD1-CD2 3.95Å |
| 280 | P | 76.1 | Confident | 79.8 | Confident | 50 Ų | 50 | 28 Ų | 28 | 33% | 0.325 | 14% | 0.144 | S | C | . | . | trans | -58.7 | 144.4 | 178.4 | -23.4 | 33.6 | 0 | 0 | 0 | 112.4 | F183 A282 C283 | F183-P280 HydrophobicContact CE1-CG 4.24Å; P280-A282 VanDerWaalsContact C-N 3.27Å; P280-A282 PolarHBondContact O-N 3.39Å; P280-C283 WeakPolarHBondContact O-CB 3.46Å; P280-C283 PolarHBondContact O-N 3.49Å; P280-C283 VanDerWaalsContact O-N 3.12Å | ||
| 281 | L | 76 | Confident | 79.8 | Confident | 64 Ų | 64 | 28 Ų | 28 | 34% | 0.335 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -56.8 | -41.3 | 178.9 | -61.2 | -176.9 | 0 | 0 | 0 | 112.1 | S88 G91 C283 R284 L285 | S88-L281 WeakPolarHBondContact O-CD2 3.42Å; G91-L281 WeakPolarHBondContact CA-O 3.36Å; L281-C283 VanDerWaalsContact C-N 3.3Å; L281-C283 PolarHBondContact O-N 3.01Å; L281-R284 WeakPolarHBondContact O-CB 3.43Å; L281-R284 PolarHBondContact O-N 2.95Å; L281-R284 VanDerWaalsContact O-N 3.16Å; L281-L285 PolarHBondContact O-N 3.28Å |
| 282 | A | 75.5 | Confident | 79.8 | Confident | 5 Ų | 5 | 28.2 Ų | 28.2 | 4% | 0.041 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.2 | -38.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | P280 R284 L285 H286 T326 H328 S331 | P280-A282 VanDerWaalsContact C-N 3.27Å; P280-A282 PolarHBondContact O-N 3.39Å; A282-R284 VanDerWaalsContact C-N 3.29Å; A282-R284 PolarHBondContact O-N 2.92Å; A282-L285 PolarHBondContact O-N 3.2Å; A282-H286 PolarHBondContact O-CD2 3.28Å; A282-H286 PolarHBondContact O-N 3.2Å; A282-T326 WeakPolarHBondContact CB-O 3.16Å; A282-H328 HydrophobicContact CB-CB 3.7Å; A282-S331 VanDerWaalsContact CA-OG 3.25Å; A282-S331 WeakPolarHBondContact CA-OG 3.42Å; A282-S331 PolarHBondContact N-OG 2.99Å |
| 283 | C | 74.7 | Confident | 79.8 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.7 | -33.1 | 179.3 | -62.6 | 0 | 0 | 0 | 0 | 112 | L279 P280 L281 H286 I287 L323 | L279-C283 HydrophobicContact CD1-CB 3.99Å; L279-C283 HydrophobicContact CG-CB 4.44Å; P280-C283 WeakPolarHBondContact O-CB 3.46Å; P280-C283 PolarHBondContact O-N 3.49Å; P280-C283 VanDerWaalsContact O-N 3.12Å; L281-C283 VanDerWaalsContact C-N 3.3Å; L281-C283 PolarHBondContact O-N 3.01Å; C283-H286 PolarHBondContact O-N 3.42Å; C283-I287 WeakPolarHBondContact O-CD1 3.35Å; C283-I287 WeakPolarHBondContact O-CG1 3.39Å; C283-I287 PolarHBondContact O-N 3.39Å; C283-L323 HydrophobicContact CB-CD2 3.85Å |
| 284 | R | 82.6 | Confident | 80 | Confident | 13 Ų | 13 | 32 Ų | 32 | 5% | 0.049 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.1 | -39.4 | 178.7 | -57.7 | 178.9 | -168.3 | 160.1 | 1.2 | 111.6 | R89 Y90 F272 N276 L279 L281 A282 S288 | R89-R284 WeakPolarHBondContact O-CD 3.31Å; R89-R284 PolarHBondContact O-NH1 3.29Å; Y90-R284 WeakPolarHBondContact O-CB 3.4Å; F272-R284 HydrophobicContact CD1-CB 4.28Å; F272-R284 HydrophobicContact CD1-CG 4.32Å; N276-R284 PolarHBondContact O-NH2 2.85Å; L279-R284 HydrophobicContact CD2-CG 3.64Å; L279-R284 HydrophobicContact CG-CG 4.09Å; L279-R284 PolarHBondContact O-NH2 3.09Å; L279-R284 VanDerWaalsContact O-NH2 3.09Å; L281-R284 WeakPolarHBondContact O-CB 3.43Å; L281-R284 PolarHBondContact O-N 2.95Å; L281-R284 VanDerWaalsContact O-N 3.16Å; A282-R284 VanDerWaalsContact C-N 3.29Å; A282-R284 PolarHBondContact O-N 2.92Å; R284-S288 PolarHBondContact O-N 2.96Å; R284-S288 PolarHBondContact O-OG 2.95Å |
| 285 | L | 81.4 | Confident | 80.3 | Confident | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -70.3 | -43.1 | 175.3 | -65.4 | -177.9 | 0 | 0 | 0 | 111.6 | Y90 G91 F92 L281 A282 I287 S288 E289 H328 S331 | Y90-L285 WeakPolarHBondContact O-CD2 3.34Å; G91-L285 VanDerWaalsContact O-CD1 3.3Å; G91-L285 WeakPolarHBondContact O-CD1 3.18Å; F92-L285 HydrophobicContact CD1-CD1 4.15Å; F92-L285 HydrophobicContact CD1-CD2 4.09Å; F92-L285 HydrophobicContact CD2-CD2 4.25Å; F92-L285 HydrophobicContact CE1-CD1 4.3Å; F92-L285 HydrophobicContact CE1-CD2 3.73Å; F92-L285 HydrophobicContact CE2-CD2 3.9Å; F92-L285 HydrophobicContact CG-CD2 4.34Å; F92-L285 HydrophobicContact CZ-CD2 3.62Å; L281-L285 PolarHBondContact O-N 3.28Å; A282-L285 PolarHBondContact O-N 3.2Å; L285-I287 VanDerWaalsContact C-N 3.28Å; L285-I287 PolarHBondContact O-N 2.73Å; L285-S288 CarbonylContact O-C 3.56Å; L285-S288 WeakPolarHBondContact O-CA 3.15Å; L285-S288 WeakPolarHBondContact O-CB 3.24Å; L285-S288 PolarHBondContact O-N 3.34Å; L285-E289 WeakPolarHBondContact O-CG 3.38Å; L285-E289 PolarHBondContact O-N 3.21Å; L285-H328 VanDerWaalsContact CD1-CE1 3.48Å; L285-H328 WeakPolarHBondContact CD1-CE1 3.43Å; L285-H328 WeakPolarHBondContact CD1-ND1 3.31Å; L285-S331 WeakPolarHBondContact CD1-OG 3.5Å |
| 286 | H | 80.2 | Confident | 80.8 | Confident | 27 Ų | 27 | 30 Ų | 30 | 13% | 0.125 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.2 | -39.7 | 174.1 | -76.8 | -55.8 | 0 | 0 | 0 | 112.8 | A282 C283 E289 F290 N325 H327 H328 | A282-H286 PolarHBondContact O-CD2 3.28Å; A282-H286 PolarHBondContact O-N 3.2Å; C283-H286 PolarHBondContact O-N 3.42Å; H286-E289 IonicContact ND1-OE2 2.71Å; H286-F290 VanDerWaalsContact O-CB 3.31Å; H286-F290 WeakPolarHBondContact O-CB 3.42Å; H286-F290 PolarHBondContact O-N 3.33Å; H286-N325 PolarHBondContact CD2-O 2.95Å; H286-H327 PolarHBondContact NE2-O 2.76Å; H286-H328 AromaticContact CE1-CD2 3.71Å; H286-H328 AromaticContact ND1-CD2 3.98Å |
| 287 | I | 83.9 | Confident | 81.4 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.8 | -45.6 | 173.4 | -68.2 | 163.9 | 0 | 0 | 0 | 109.9 | F272 C283 L285 E289 F290 L291 L313 I319 L323 | F272-I287 HydrophobicContact CB-CB 4.42Å; F272-I287 HydrophobicContact CB-CG2 3.96Å; F272-I287 HydrophobicContact CD1-CD1 4.23Å; F272-I287 HydrophobicContact CD1-CG2 4.37Å; F272-I287 HydrophobicContact CD2-CG2 3.89Å; F272-I287 HydrophobicContact CE1-CD1 4.11Å; F272-I287 HydrophobicContact CE2-CG2 4.47Å; F272-I287 HydrophobicContact CG-CB 4.39Å; F272-I287 HydrophobicContact CG-CG2 3.81Å; F272-I287 HydrophobicContact CZ-CD1 4.47Å; C283-I287 WeakPolarHBondContact O-CD1 3.35Å; C283-I287 WeakPolarHBondContact O-CG1 3.39Å; C283-I287 PolarHBondContact O-N 3.39Å; L285-I287 VanDerWaalsContact C-N 3.28Å; L285-I287 PolarHBondContact O-N 2.73Å; I287-E289 PolarHBondContact O-N 3.09Å; I287-F290 PolarHBondContact O-N 3.41Å; I287-L291 HydrophobicContact CG2-CD1 3.95Å; I287-L291 HydrophobicContact CG2-CG 4.36Å; I287-L291 VanDerWaalsContact O-CG 3.22Å; I287-L291 WeakPolarHBondContact O-CG 3.24Å; I287-L291 PolarHBondContact O-N 3.17Å; I287-L313 HydrophobicContact CG2-CD2 3.78Å; I287-I319 HydrophobicContact CD1-CG2 4.22Å; I287-I319 HydrophobicContact CG1-CG2 4.31Å; I287-L323 HydrophobicContact CD1-CD2 4.41Å |
| 288 | S | 86.9 | Confident | 82.2 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.4 | -41.4 | 179.5 | -54.1 | 0 | 0 | 0 | 0 | 112.4 | F272 R284 L285 L291 Y292 | F272-S288 WeakPolarHBondContact CB-OG 3.46Å; F272-S288 PolarHBondContact N-OG 3.37Å; R284-S288 PolarHBondContact O-N 2.96Å; R284-S288 PolarHBondContact O-OG 2.95Å; L285-S288 CarbonylContact O-C 3.56Å; L285-S288 WeakPolarHBondContact O-CA 3.15Å; L285-S288 WeakPolarHBondContact O-CB 3.24Å; L285-S288 PolarHBondContact O-N 3.34Å; S288-L291 PolarHBondContact O-N 2.76Å; S288-Y292 WeakPolarHBondContact O-CB 3.46Å; S288-Y292 PolarHBondContact O-N 3.49Å |
| 289 | E | 85.4 | Confident | 83 | Confident | 30 Ų | 30 | 21.9 Ų | 21.9 | 14% | 0.14 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.4 | -43.5 | 174.9 | -72.2 | -171.8 | 152.7 | 0 | 0 | 112.2 | C119 F120 T123 F124 L285 H286 I287 Y292 D293 H328 | C119-E289 PolarHBondContact SG-OE1 3.25Å; F120-E289 HydrophobicContact CD1-CG 4.37Å; F120-E289 HydrophobicContact CE1-CG 4.13Å; T123-E289 WeakPolarHBondContact CG2-OE1 2.97Å; F124-E289 HydrophobicContact CE2-CB 4.47Å; L285-E289 WeakPolarHBondContact O-CG 3.38Å; L285-E289 PolarHBondContact O-N 3.21Å; H286-E289 IonicContact ND1-OE2 2.71Å; I287-E289 PolarHBondContact O-N 3.09Å; E289-Y292 PolarHBondContact O-N 2.91Å; E289-D293 PolarHBondContact O-N 3.45Å; E289-H328 VanDerWaalsContact CD-NE2 3.33Å; E289-H328 IonicContact OE1-CE1 3.49Å; E289-H328 IonicContact OE1-NE2 2.91Å; E289-H328 PolarHBondContact OE1-NE2 3.46Å; E289-H328 IonicContact OE2-CD2 3.28Å; E289-H328 IonicContact OE2-NE2 3.65Å |
| 290 | F | 85.1 | Confident | 83.5 | Confident | 32 Ų | 32 | 28.9 Ų | 28.9 | 14% | 0.14 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.5 | -44.2 | 176.9 | 170.1 | -98.1 | 0 | 0 | 0 | 111.9 | H286 I287 Y292 D293 K294 E318 L322 | H286-F290 VanDerWaalsContact O-CB 3.31Å; H286-F290 WeakPolarHBondContact O-CB 3.42Å; H286-F290 PolarHBondContact O-N 3.33Å; I287-F290 PolarHBondContact O-N 3.41Å; F290-Y292 VanDerWaalsContact C-N 3.31Å; F290-Y292 PolarHBondContact O-N 3.02Å; F290-D293 PolarHBondContact O-N 3.29Å; F290-K294 HydrophobicContact CE1-CG 4.26Å; F290-K294 VanDerWaalsContact CE2-CE 3.47Å; F290-K294 HydrophobicContact CE2-CG 4.24Å; F290-K294 HydrophobicContact CZ-CD 4.37Å; F290-K294 VanDerWaalsContact CZ-CE 3.45Å; F290-K294 HydrophobicContact CZ-CG 3.96Å; F290-K294 WeakPolarHBondContact O-CG 3.49Å; F290-K294 PolarHBondContact O-N 3.4Å; F290-K294 VanDerWaalsContact O-N 3.14Å; F290-E318 HydrophobicContact CZ-CB 4.28Å; F290-E318 WeakPolarHBondContact CZ-OE2 3.3Å; F290-L322 HydrophobicContact CB-CD1 3.46Å; F290-L322 VanDerWaalsContact CB-CD1 3.46Å; F290-L322 HydrophobicContact CD1-CD1 3.98Å; F290-L322 HydrophobicContact CD2-CD1 3.93Å; F290-L322 HydrophobicContact CG-CD1 3.5Å; F290-L322 VanDerWaalsContact CG-CD1 3.5Å |
| 291 | L | 87.3 | Confident | 83.9 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.6 | -39 | 177 | -65.9 | 169.8 | 0 | 0 | 0 | 111.7 | L253 V270 I287 S288 K294 A295 L309 L313 | L253-L291 HydrophobicContact CD1-CD1 3.67Å; V270-L291 HydrophobicContact CB-CB 4.37Å; V270-L291 HydrophobicContact CG1-CB 3.79Å; V270-L291 HydrophobicContact CG1-CD1 3.8Å; V270-L291 HydrophobicContact CG1-CG 4.46Å; I287-L291 HydrophobicContact CG2-CD1 3.95Å; I287-L291 HydrophobicContact CG2-CG 4.36Å; I287-L291 VanDerWaalsContact O-CG 3.22Å; I287-L291 WeakPolarHBondContact O-CG 3.24Å; I287-L291 PolarHBondContact O-N 3.17Å; S288-L291 PolarHBondContact O-N 2.76Å; L291-K294 PolarHBondContact O-N 2.99Å; L291-A295 WeakPolarHBondContact O-CB 3.43Å; L291-A295 PolarHBondContact O-N 3.03Å; L291-L309 HydrophobicContact CB-CD2 4.23Å; L291-L309 HydrophobicContact CD2-CB 4.36Å; L291-L309 HydrophobicContact CD2-CD2 4Å; L291-L309 WeakPolarHBondContact O-CD2 3.48Å; L291-L313 HydrophobicContact CD1-CD1 3.84Å; L291-L313 HydrophobicContact CD1-CD2 4.02Å; L291-L313 HydrophobicContact CD1-CG 4.23Å; L291-L313 HydrophobicContact CD2-CD1 4.01Å; L291-L313 HydrophobicContact CD2-CD2 3.82Å; L291-L313 HydrophobicContact CD2-CG 3.67Å; L291-L313 HydrophobicContact CG-CD2 4.27Å; L291-L313 HydrophobicContact CG-CG 4.49Å |
| 292 | Y | 88.3 | Confident | 84.2 | Confident | 5 Ų | 5 | 29.6 Ų | 29.6 | 2% | 0.02 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.8 | -39.9 | 177.1 | -171.4 | -103.5 | 0 | 0 | 0 | 112.2 | F120 F124 M128 A267 P268 L269 S288 E289 F290 K294 A295 L296 | F120-Y292 HydrophobicContact CB-CD1 3.89Å; F120-Y292 HydrophobicContact CB-CE1 3.68Å; F120-Y292 AromaticContact CD1-CD1 3.94Å; F120-Y292 HydrophobicContact CD1-CD1 3.94Å; F120-Y292 HydrophobicContact CD1-CG 4.09Å; F120-Y292 AromaticContact CD2-CD1 3.93Å; F120-Y292 HydrophobicContact CD2-CD1 3.93Å; F120-Y292 AromaticContact CD2-CD2 3.82Å; F120-Y292 HydrophobicContact CD2-CD2 3.82Å; F120-Y292 HydrophobicContact CD2-CE1 4.06Å; F120-Y292 AromaticContact CD2-CE2 3.97Å; F120-Y292 HydrophobicContact CD2-CE2 3.97Å; F120-Y292 AromaticContact CD2-CG 3.8Å; F120-Y292 HydrophobicContact CD2-CG 3.8Å; F120-Y292 HydrophobicContact CE1-CD1 4.46Å; F120-Y292 HydrophobicContact CE1-CG 4.18Å; F120-Y292 HydrophobicContact CE2-CD1 4.45Å; F120-Y292 AromaticContact CE2-CD2 3.81Å; F120-Y292 HydrophobicContact CE2-CD2 3.81Å; F120-Y292 HydrophobicContact CE2-CE2 4.32Å; F120-Y292 AromaticContact CE2-CG 3.88Å; F120-Y292 HydrophobicContact CE2-CG 3.88Å; F120-Y292 AromaticContact CG-CD1 3.65Å; F120-Y292 HydrophobicContact CG-CD1 3.65Å; F120-Y292 HydrophobicContact CG-CD2 4.39Å; F120-Y292 AromaticContact CG-CE1 3.88Å; F120-Y292 HydrophobicContact CG-CE1 3.88Å; F120-Y292 AromaticContact CG-CG 3.91Å; F120-Y292 HydrophobicContact CG-CG 3.91Å; F120-Y292 HydrophobicContact CZ-CD2 4.37Å; F120-Y292 HydrophobicContact CZ-CG 4.07Å; F124-Y292 AromaticContact CD2-CD1 3.75Å; F124-Y292 HydrophobicContact CD2-CD1 3.75Å; F124-Y292 HydrophobicContact CD2-CE1 4.16Å; F124-Y292 HydrophobicContact CE2-CD1 4.14Å; M128-Y292 WeakPolarHBondContact CG-OH 3.42Å; A267-Y292 HydrophobicContact CB-CE2 4.27Å; P268-Y292 WeakPolarHBondContact O-CD2 3.43Å; P268-Y292 WeakPolarHBondContact O-CE2 3.29Å; L269-Y292 HydrophobicContact CD2-CE2 4.33Å; S288-Y292 WeakPolarHBondContact O-CB 3.46Å; S288-Y292 PolarHBondContact O-N 3.49Å; E289-Y292 PolarHBondContact O-N 2.91Å; F290-Y292 VanDerWaalsContact C-N 3.31Å; F290-Y292 PolarHBondContact O-N 3.02Å; Y292-K294 VanDerWaalsContact C-N 3.31Å; Y292-K294 PolarHBondContact O-N 3.38Å; Y292-A295 WeakPolarHBondContact O-CB 3.47Å; Y292-A295 PolarHBondContact O-N 3.01Å; Y292-L296 HydrophobicContact CD1-CD1 4.03Å; Y292-L296 HydrophobicContact CD1-CG 4.34Å; Y292-L296 HydrophobicContact CE1-CD1 3.76Å; Y292-L296 HydrophobicContact CE1-CD2 4.27Å; Y292-L296 HydrophobicContact CE1-CG 4.02Å; Y292-L296 WeakPolarHBondContact O-CG 3.37Å; Y292-L296 PolarHBondContact O-N 3.13Å |
| 293 | D | 86.1 | Confident | 84.6 | Confident | 42 Ų | 42 | 34.3 Ų | 34.3 | 23% | 0.225 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.1 | -43.4 | 173.4 | -177.2 | 60.8 | 0 | 0 | 0 | 111.8 | F124 R127 E289 F290 L296 T297 | F124-D293 HydrophobicContact CE1-CB 4.14Å; F124-D293 HydrophobicContact CZ-CB 3.86Å; R127-D293 IonicContact CZ-OD1 3.68Å; R127-D293 IonicContact NH1-OD1 2.71Å; R127-D293 PolarHBondContact NH1-OD1 3.49Å; R127-D293 IonicContact NH2-OD1 2.74Å; R127-D293 PolarHBondContact NH2-OD1 3.12Å; E289-D293 PolarHBondContact O-N 3.45Å; F290-D293 PolarHBondContact O-N 3.29Å; D293-L296 WeakPolarHBondContact O-CB 3.34Å; D293-L296 PolarHBondContact O-N 3.06Å; D293-T297 PolarHBondContact O-N 3.04Å |
| 294 | K | 87.8 | Confident | 85.2 | Confident | 57 Ų | 57 | 37.9 Ų | 37.9 | 25% | 0.248 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.3 | -42.2 | 175.1 | -64.3 | -66.5 | -173.6 | 178.5 | 0 | 111.8 | F290 L291 Y292 L296 T297 F298 L309 L312 | F290-K294 HydrophobicContact CE1-CG 4.26Å; F290-K294 VanDerWaalsContact CE2-CE 3.47Å; F290-K294 HydrophobicContact CE2-CG 4.24Å; F290-K294 HydrophobicContact CZ-CD 4.37Å; F290-K294 VanDerWaalsContact CZ-CE 3.45Å; F290-K294 HydrophobicContact CZ-CG 3.96Å; F290-K294 WeakPolarHBondContact O-CG 3.49Å; F290-K294 PolarHBondContact O-N 3.4Å; F290-K294 VanDerWaalsContact O-N 3.14Å; L291-K294 PolarHBondContact O-N 2.99Å; Y292-K294 VanDerWaalsContact C-N 3.31Å; Y292-K294 PolarHBondContact O-N 3.38Å; K294-L296 VanDerWaalsContact C-N 3.26Å; K294-L296 PolarHBondContact O-N 2.86Å; K294-T297 PolarHBondContact O-N 2.75Å; K294-T297 VanDerWaalsContact O-N 3.07Å; K294-T297 PolarHBondContact O-OG1 3Å; K294-F298 HydrophobicContact CB-CD2 4.49Å; K294-F298 HydrophobicContact CB-CE2 4.16Å; K294-F298 WeakPolarHBondContact O-CD2 3.26Å; K294-F298 PolarHBondContact O-N 2.82Å; K294-L309 HydrophobicContact CB-CD2 3.91Å; K294-L312 HydrophobicContact CB-CD1 4.05Å; K294-L312 HydrophobicContact CD-CD1 4.27Å; K294-L312 HydrophobicContact CG-CD1 3.91Å |
| 295 | A | 88.2 | Confident | 85.3 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.9 | -37.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A267 L291 Y292 F298 A299 L309 | A267-A295 HydrophobicContact CB-CB 4.05Å; L291-A295 WeakPolarHBondContact O-CB 3.43Å; L291-A295 PolarHBondContact O-N 3.03Å; Y292-A295 WeakPolarHBondContact O-CB 3.47Å; Y292-A295 PolarHBondContact O-N 3.01Å; A295-F298 PolarHBondContact O-N 3.23Å; A295-A299 WeakPolarHBondContact O-CB 3.36Å; A295-A299 PolarHBondContact O-N 3.35Å; A295-L309 HydrophobicContact CB-CD1 4.32Å |
| 296 | L | 86.1 | Confident | 85.6 | Confident | 13 Ų | 13 | 37.1 Ų | 37.1 | 7% | 0.068 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.9 | -44.7 | 172.9 | -71.6 | 169.7 | 0 | 0 | 0 | 111.7 | F124 R127 A267 Y292 D293 K294 F298 A299 E300 | F124-L296 HydrophobicContact CB-CD1 4.06Å; F124-L296 HydrophobicContact CG-CD1 4.17Å; R127-L296 HydrophobicContact CB-CD1 4.08Å; A267-L296 HydrophobicContact CB-CD2 3.71Å; A267-L296 HydrophobicContact CB-CG 4.11Å; Y292-L296 HydrophobicContact CD1-CD1 4.03Å; Y292-L296 HydrophobicContact CD1-CG 4.34Å; Y292-L296 HydrophobicContact CE1-CD1 3.76Å; Y292-L296 HydrophobicContact CE1-CD2 4.27Å; Y292-L296 HydrophobicContact CE1-CG 4.02Å; Y292-L296 WeakPolarHBondContact O-CG 3.37Å; Y292-L296 PolarHBondContact O-N 3.13Å; D293-L296 WeakPolarHBondContact O-CB 3.34Å; D293-L296 PolarHBondContact O-N 3.06Å; K294-L296 VanDerWaalsContact C-N 3.26Å; K294-L296 PolarHBondContact O-N 2.86Å; L296-F298 VanDerWaalsContact C-N 3.31Å; L296-F298 PolarHBondContact O-N 3.21Å; L296-A299 PolarHBondContact O-N 3.1Å; L296-E300 PolarHBondContact O-N 3Å |
| 297 | T | 86.2 | Confident | 86 | Confident | 55 Ų | 55 | 41 Ų | 41 | 34% | 0.337 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.3 | -34.6 | 178.4 | 60.2 | 0 | 0 | 0 | 0 | 113.1 | D293 K294 | D293-T297 PolarHBondContact O-N 3.04Å; K294-T297 PolarHBondContact O-N 2.75Å; K294-T297 VanDerWaalsContact O-N 3.07Å; K294-T297 PolarHBondContact O-OG1 3Å |
| 298 | F | 85.1 | Confident | 86.2 | Confident | 45 Ų | 45 | 43 Ų | 43 | 20% | 0.197 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -77.4 | -27.5 | 175.7 | -65.1 | -62.8 | 0 | 0 | 0 | 112.9 | K294 A295 L296 E300 T301 S302 E303 V305 L312 | K294-F298 HydrophobicContact CB-CD2 4.49Å; K294-F298 HydrophobicContact CB-CE2 4.16Å; K294-F298 WeakPolarHBondContact O-CD2 3.26Å; K294-F298 PolarHBondContact O-N 2.82Å; A295-F298 PolarHBondContact O-N 3.23Å; L296-F298 VanDerWaalsContact C-N 3.31Å; L296-F298 PolarHBondContact O-N 3.21Å; F298-E300 VanDerWaalsContact C-N 3.27Å; F298-E300 PolarHBondContact O-N 3Å; F298-T301 PolarHBondContact O-N 3.22Å; F298-T301 PolarHBondContact O-OG1 2.66Å; F298-S302 PolarHBondContact O-N 2.82Å; F298-S302 VanDerWaalsContact O-N 3.16Å; F298-E303 PolarHBondContact O-N 2.74Å; F298-V305 HydrophobicContact CB-CB 4.12Å; F298-V305 HydrophobicContact CB-CG1 3.44Å; F298-V305 VanDerWaalsContact CB-CG1 3.44Å; F298-V305 HydrophobicContact CD2-CB 4.38Å; F298-V305 HydrophobicContact CG-CG1 4.35Å; F298-L312 HydrophobicContact CE2-CD1 4.21Å |
| 299 | A | 85.4 | Confident | 86.2 | Confident | 13 Ų | 13 | 42.9 Ų | 42.9 | 11% | 0.107 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.5 | -32.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A267 A295 L296 T301 S302 | A267-A299 HydrophobicContact CB-CB 4.12Å; A295-A299 WeakPolarHBondContact O-CB 3.36Å; A295-A299 PolarHBondContact O-N 3.35Å; L296-A299 PolarHBondContact O-N 3.1Å; A299-T301 VanDerWaalsContact C-N 3.27Å; A299-T301 PolarHBondContact O-N 3.42Å; A299-S302 PolarHBondContact O-N 3.36Å; A299-S302 VanDerWaalsContact O-N 3.16Å |
| 300 | E | 85.6 | Confident | 86.3 | Confident | 151 Ų | 151 | 41.8 Ų | 41.8 | 71% | 0.706 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -63.7 | -31.7 | 173.1 | -67.6 | 176 | -172.8 | 0 | 0 | 112.5 | L296 F298 S302 | L296-E300 PolarHBondContact O-N 3Å; F298-E300 VanDerWaalsContact C-N 3.27Å; F298-E300 PolarHBondContact O-N 3Å; E300-S302 VanDerWaalsContact C-N 3.35Å |
| 301 | T | 84 | Confident | 86.4 | Confident | 70 Ų | 70 | 43.2 Ų | 43.2 | 43% | 0.429 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -87.4 | -4.5 | 176.3 | 61.3 | 0 | 0 | 0 | 0 | 113.1 | F298 A299 E303 | F298-T301 PolarHBondContact O-N 3.22Å; F298-T301 PolarHBondContact O-OG1 2.66Å; A299-T301 VanDerWaalsContact C-N 3.27Å; A299-T301 PolarHBondContact O-N 3.42Å; T301-E303 PolarHBondContact O-N 2.93Å; T301-E303 PolarHBondContact OG1-OE2 3.08Å |
| 302 | S | 82.5 | Confident | 86.3 | Confident | 58 Ų | 58 | 44.5 Ų | 44.5 | 41% | 0.406 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 30.9 | -174.4 | 60.6 | 0 | 0 | 0 | 0 | 114 | Y265 F298 A299 E300 | Y265-S302 VanDerWaalsContact CE1-CB 3.49Å; F298-S302 PolarHBondContact O-N 2.82Å; F298-S302 VanDerWaalsContact O-N 3.16Å; A299-S302 PolarHBondContact O-N 3.36Å; A299-S302 VanDerWaalsContact O-N 3.16Å; E300-S302 VanDerWaalsContact C-N 3.35Å |
| 303 | E | 84.8 | Confident | 85.9 | Confident | 105 Ų | 105 | 44.3 Ų | 44.3 | 49% | 0.491 | 24% | 0.237 | S | C | . | . | trans | -97.6 | 152.6 | -179.2 | -71.3 | 177.2 | 156.5 | 0 | 0 | 112 | F298 T301 V305 | F298-E303 PolarHBondContact O-N 2.74Å; T301-E303 PolarHBondContact O-N 2.93Å; T301-E303 PolarHBondContact OG1-OE2 3.08Å; E303-V305 VanDerWaalsContact O-CG1 3.29Å; E303-V305 WeakPolarHBondContact O-CG1 3.42Å; E303-V305 PolarHBondContact O-N 2.99Å | ||
| 304 | P | 85.9 | Confident | 85.7 | Confident | 74 Ų | 74 | 48.3 Ų | 48.3 | 48% | 0.481 | 25% | 0.254 | S | S | . | . | trans | -61.4 | 126.7 | 171.3 | 24.4 | -32.5 | 0 | 0 | 0 | 111 | E149 Y263 | E149-P304 HydrophobicContact CB-CB 4.44Å; E149-P304 HydrophobicContact CG-CB 3.93Å; E149-P304 VanDerWaalsContact OE1-CB 3.28Å; E149-P304 WeakPolarHBondContact OE1-CB 3.35Å; Y263-P304 WeakPolarHBondContact OH-CA 3.39Å | ||
| 305 | V | 86.1 | Confident | 85.4 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | trans | -98.3 | -24.2 | -167.4 | -44.7 | 0 | 0 | 0 | 0 | 113 | E149 Y263 P268 F298 E303 S308 L309 | E149-V305 PolarHBondContact OE1-N 2.88Å; Y263-V305 HydrophobicContact CE2-CG1 4.15Å; Y263-V305 HydrophobicContact CE2-CG2 3.76Å; Y263-V305 PolarHBondContact OH-N 3.49Å; P268-V305 HydrophobicContact CG-CG2 4.01Å; F298-V305 HydrophobicContact CB-CB 4.12Å; F298-V305 HydrophobicContact CB-CG1 3.44Å; F298-V305 VanDerWaalsContact CB-CG1 3.44Å; F298-V305 HydrophobicContact CD2-CB 4.38Å; F298-V305 HydrophobicContact CG-CG1 4.35Å; E303-V305 VanDerWaalsContact O-CG1 3.29Å; E303-V305 WeakPolarHBondContact O-CG1 3.42Å; E303-V305 PolarHBondContact O-N 2.99Å; V305-S308 PolarHBondContact O-N 3.35Å; V305-L309 HydrophobicContact CB-CD1 4.48Å; V305-L309 HydrophobicContact CG2-CD1 3.96Å; V305-L309 VanDerWaalsContact O-CG 3.26Å; V305-L309 WeakPolarHBondContact O-CG 3.43Å; V305-L309 PolarHBondContact O-N 3.3Å | ||
| 306 | V | 87.6 | Confident | 84.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.3 | -46.4 | -161.2 | 178 | 0 | 0 | 0 | 0 | 112.2 | E149 L153 W170 I172 I255 S308 L309 I310 | E149-V306 VanDerWaalsContact OE1-CB 3.28Å; E149-V306 WeakPolarHBondContact OE1-CB 3.46Å; E149-V306 WeakPolarHBondContact OE1-CG2 3.12Å; E149-V306 PolarHBondContact OE1-N 3.29Å; L153-V306 HydrophobicContact CD1-CB 3.76Å; L153-V306 HydrophobicContact CD1-CG1 3.47Å; L153-V306 VanDerWaalsContact CD1-CG1 3.47Å; L153-V306 HydrophobicContact CD1-CG2 4.38Å; L153-V306 HydrophobicContact CD2-CB 4.39Å; L153-V306 HydrophobicContact CD2-CG1 4.02Å; L153-V306 HydrophobicContact CG-CG1 4.4Å; W170-V306 HydrophobicContact CE3-CG2 4.02Å; W170-V306 HydrophobicContact CZ3-CG2 3.81Å; I172-V306 HydrophobicContact CD1-CG1 3.88Å; I255-V306 HydrophobicContact CD1-CB 3.92Å; I255-V306 HydrophobicContact CD1-CG1 3.43Å; I255-V306 VanDerWaalsContact CD1-CG1 3.43Å; I255-V306 HydrophobicContact CD1-CG2 3.47Å; I255-V306 VanDerWaalsContact CD1-CG2 3.47Å; V306-S308 VanDerWaalsContact C-N 3.32Å; V306-S308 PolarHBondContact O-N 3.03Å; V306-L309 PolarHBondContact O-N 3.39Å; V306-I310 HydrophobicContact CG1-CD1 4.13Å; V306-I310 WeakPolarHBondContact O-CG1 3.48Å; V306-I310 PolarHBondContact O-N 2.84Å |
| 307 | Y | 87.8 | Confident | 84 | Confident | 109 Ų | 109 | 56.2 Ų | 56.2 | 43% | 0.427 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.7 | -37.1 | 178.5 | -175.8 | -103.9 | 0 | 0 | 0 | 112.4 | L153 I156 I310 T311 | L153-Y307 HydrophobicContact CD2-CD2 4.4Å; I156-Y307 HydrophobicContact CB-CE2 4.5Å; I156-Y307 HydrophobicContact CD1-CD2 4.19Å; I156-Y307 HydrophobicContact CD1-CE2 4.32Å; I156-Y307 HydrophobicContact CG2-CD2 4.04Å; I156-Y307 HydrophobicContact CG2-CE2 3.44Å; I156-Y307 VanDerWaalsContact CG2-CE2 3.44Å; Y307-I310 PolarHBondContact O-N 3.32Å; Y307-T311 PolarHBondContact O-N 2.98Å; Y307-T311 PolarHBondContact O-OG1 2.95Å |
| 308 | S | 87.6 | Confident | 83.5 | Confident | 41 Ų | 41 | 56.3 Ų | 56.3 | 29% | 0.287 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 175 | -58.7 | 0 | 0 | 0 | 0 | 111.2 | V305 V306 I310 T311 L312 | V305-S308 PolarHBondContact O-N 3.35Å; V306-S308 VanDerWaalsContact C-N 3.32Å; V306-S308 PolarHBondContact O-N 3.03Å; S308-I310 PolarHBondContact O-N 2.91Å; S308-T311 PolarHBondContact O-N 2.84Å; S308-L312 VanDerWaalsContact O-CG 3.31Å; S308-L312 WeakPolarHBondContact O-CG 3.31Å; S308-L312 PolarHBondContact O-N 3.18Å |
| 309 | L | 87.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 174.6 | -67.8 | 175.5 | 0 | 0 | 0 | 112.4 | V270 L291 K294 A295 V305 V306 L312 L313 | V270-L309 HydrophobicContact CG2-CD1 3.97Å; L291-L309 HydrophobicContact CB-CD2 4.23Å; L291-L309 HydrophobicContact CD2-CB 4.36Å; L291-L309 HydrophobicContact CD2-CD2 4Å; L291-L309 WeakPolarHBondContact O-CD2 3.48Å; K294-L309 HydrophobicContact CB-CD2 3.91Å; A295-L309 HydrophobicContact CB-CD1 4.32Å; V305-L309 HydrophobicContact CB-CD1 4.48Å; V305-L309 HydrophobicContact CG2-CD1 3.96Å; V305-L309 VanDerWaalsContact O-CG 3.26Å; V305-L309 WeakPolarHBondContact O-CG 3.43Å; V305-L309 PolarHBondContact O-N 3.3Å; V306-L309 PolarHBondContact O-N 3.39Å; L309-L312 HydrophobicContact CD2-CD1 4.44Å; L309-L312 PolarHBondContact O-N 2.84Å; L309-L313 WeakPolarHBondContact O-CG 3.2Å; L309-L313 PolarHBondContact O-N 3.31Å |
| 310 | I | 87.5 | Confident | 82.3 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.6 | -47 | 174.7 | -66.9 | 162.7 | 0 | 0 | 0 | 110.2 | L153 I172 L174 L253 V306 Y307 S308 L312 L313 E314 | L153-I310 HydrophobicContact CD2-CD1 4.18Å; I172-I310 HydrophobicContact CB-CD1 4.4Å; I172-I310 HydrophobicContact CG1-CD1 4.16Å; I172-I310 HydrophobicContact CG2-CD1 3.85Å; I172-I310 HydrophobicContact CG2-CG1 4.33Å; L174-I310 HydrophobicContact CD2-CG2 3.99Å; L253-I310 HydrophobicContact CD2-CG1 4.21Å; V306-I310 HydrophobicContact CG1-CD1 4.13Å; V306-I310 WeakPolarHBondContact O-CG1 3.48Å; V306-I310 PolarHBondContact O-N 2.84Å; Y307-I310 PolarHBondContact O-N 3.32Å; S308-I310 PolarHBondContact O-N 2.91Å; I310-L312 VanDerWaalsContact C-N 3.31Å; I310-L312 PolarHBondContact O-N 3.22Å; I310-L313 WeakPolarHBondContact O-CA 3.22Å; I310-L313 WeakPolarHBondContact O-CB 3.46Å; I310-L313 PolarHBondContact O-N 3.09Å; I310-E314 PolarHBondContact O-N 3.35Å |
| 311 | T | 86.4 | Confident | 81.7 | Confident | 63 Ų | 63 | 54.6 Ų | 54.6 | 39% | 0.387 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 179.2 | -53 | 0 | 0 | 0 | 0 | 111.4 | Y307 S308 L313 E314 E315 | Y307-T311 PolarHBondContact O-N 2.98Å; Y307-T311 PolarHBondContact O-OG1 2.95Å; S308-T311 PolarHBondContact O-N 2.84Å; T311-L313 VanDerWaalsContact C-N 3.29Å; T311-L313 PolarHBondContact O-N 3.04Å; T311-E314 PolarHBondContact O-N 3.34Å; T311-E315 PolarHBondContact O-N 2.88Å |
| 312 | L | 85.2 | Confident | 80.7 | Confident | 27 Ų | 27 | 52.9 Ų | 52.9 | 14% | 0.141 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.7 | -33.7 | 174.3 | -71.4 | 169.6 | 0 | 0 | 0 | 112.3 | K294 F298 S308 L309 I310 E314 E315 | K294-L312 HydrophobicContact CB-CD1 4.05Å; K294-L312 HydrophobicContact CD-CD1 4.27Å; K294-L312 HydrophobicContact CG-CD1 3.91Å; F298-L312 HydrophobicContact CE2-CD1 4.21Å; S308-L312 VanDerWaalsContact O-CG 3.31Å; S308-L312 WeakPolarHBondContact O-CG 3.31Å; S308-L312 PolarHBondContact O-N 3.18Å; L309-L312 HydrophobicContact CD2-CD1 4.44Å; L309-L312 PolarHBondContact O-N 2.84Å; I310-L312 VanDerWaalsContact C-N 3.31Å; I310-L312 PolarHBondContact O-N 3.22Å; L312-E314 VanDerWaalsContact C-N 3.34Å; L312-E315 PolarHBondContact O-N 3.42Å |
| 313 | L | 81.5 | Confident | 79.9 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -72.2 | -26.5 | 175.2 | -75.8 | 173 | 0 | 0 | 0 | 113.7 | L174 L176 Y178 L253 I287 L291 L309 I310 T311 E315 I319 | L174-L313 HydrophobicContact CD1-CB 4.24Å; L174-L313 HydrophobicContact CD1-CD1 3.45Å; L174-L313 VanDerWaalsContact CD1-CD1 3.45Å; L174-L313 HydrophobicContact CD1-CG 4.45Å; L176-L313 WeakPolarHBondContact CD2-O 3.32Å; Y178-L313 PolarHBondContact OH-O 2.76Å; L253-L313 HydrophobicContact CB-CD1 4.5Å; L253-L313 HydrophobicContact CD1-CD1 4.05Å; L253-L313 HydrophobicContact CD2-CD1 3.96Å; L253-L313 HydrophobicContact CG-CD1 4.41Å; I287-L313 HydrophobicContact CG2-CD2 3.78Å; L291-L313 HydrophobicContact CD1-CD1 3.84Å; L291-L313 HydrophobicContact CD1-CD2 4.02Å; L291-L313 HydrophobicContact CD1-CG 4.23Å; L291-L313 HydrophobicContact CD2-CD1 4.01Å; L291-L313 HydrophobicContact CD2-CD2 3.82Å; L291-L313 HydrophobicContact CD2-CG 3.67Å; L291-L313 HydrophobicContact CG-CD2 4.27Å; L291-L313 HydrophobicContact CG-CG 4.49Å; L309-L313 WeakPolarHBondContact O-CG 3.2Å; L309-L313 PolarHBondContact O-N 3.31Å; I310-L313 WeakPolarHBondContact O-CA 3.22Å; I310-L313 WeakPolarHBondContact O-CB 3.46Å; I310-L313 PolarHBondContact O-N 3.09Å; T311-L313 VanDerWaalsContact C-N 3.29Å; T311-L313 PolarHBondContact O-N 3.04Å; L313-E315 VanDerWaalsContact C-N 3.33Å; L313-I319 HydrophobicContact CB-CD1 4.49Å; L313-I319 HydrophobicContact CD2-CD1 4.05Å; L313-I319 WeakPolarHBondContact O-CD1 3.41Å |
| 314 | E | 81.1 | Confident | 78.7 | Confident | 126 Ų | 126 | 51 Ų | 51 | 59% | 0.589 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -76.5 | -23.5 | 173.2 | -67.8 | -177.7 | 168.5 | 0 | 0 | 112 | I310 T311 L312 E316 | I310-E314 PolarHBondContact O-N 3.35Å; T311-E314 PolarHBondContact O-N 3.34Å; L312-E314 VanDerWaalsContact C-N 3.34Å; E314-E316 PolarHBondContact O-N 2.84Å; E314-E316 VanDerWaalsContact O-N 3.17Å |
| 315 | E | 80.8 | Confident | 77.5 | Confident | 97 Ų | 97 | 51.4 Ų | 51.4 | 45% | 0.453 | 26% | 0.264 | S | S | . | . | trans | -76.2 | 99.8 | 176.7 | -169.8 | 168.7 | -159.5 | 0 | 0 | 112.4 | T311 L312 L313 S317 I319 | T311-E315 PolarHBondContact O-N 2.88Å; L312-E315 PolarHBondContact O-N 3.42Å; L313-E315 VanDerWaalsContact C-N 3.33Å; E315-S317 PolarHBondContact O-N 3.12Å; E315-I319 WeakPolarHBondContact O-CD1 3.18Å | ||
| 316 | E | 74.3 | Confident | 76.2 | Confident | 78 Ų | 78 | 55.2 Ų | 55.2 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -56.6 | -29.2 | -176.7 | -178.2 | 179.2 | 172 | 0 | 0 | 113.5 | Y178 R182 E314 E318 V320 | Y178-E316 HydrophobicContact CD2-CB 4.44Å; Y178-E316 HydrophobicContact CD2-CG 3.95Å; Y178-E316 HydrophobicContact CG-CB 4.41Å; Y178-E316 HydrophobicContact CG-CG 4.16Å; R182-E316 IonicContact CZ-OE1 3.94Å; R182-E316 IonicContact NE-OE1 2.88Å; R182-E316 PolarHBondContact NE-OE1 2.82Å; R182-E316 IonicContact NH2-OE1 3.21Å; R182-E316 PolarHBondContact NH2-OE1 3.03Å; E314-E316 PolarHBondContact O-N 2.84Å; E314-E316 VanDerWaalsContact O-N 3.17Å; E316-E318 PolarHBondContact O-N 3.31Å; E316-V320 HydrophobicContact CG-CG2 3.44Å; E316-V320 VanDerWaalsContact CG-CG2 3.44Å; E316-V320 VanDerWaalsContact O-CB 3.29Å; E316-V320 WeakPolarHBondContact O-CB 3.49Å; E316-V320 WeakPolarHBondContact O-CG2 3.38Å; E316-V320 PolarHBondContact O-N 3Å |
| 317 | S | 71.6 | Confident | 74.7 | Confident | 61 Ų | 61 | 61.7 Ų | 61.7 | 43% | 0.427 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -70.2 | -34.4 | -164.8 | 84.1 | 0 | 0 | 0 | 0 | 114.5 | E315 K321 | E315-S317 PolarHBondContact O-N 3.12Å; S317-K321 WeakPolarHBondContact O-CE 3.36Å; S317-K321 WeakPolarHBondContact O-CG 3.43Å |
| 318 | E | 75.3 | Confident | 73.3 | Confident | 57 Ų | 57 | 57.1 Ų | 57.1 | 27% | 0.266 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -83.8 | -40.5 | -179.6 | -57.2 | -155.6 | 145.9 | 0 | 0 | 110.7 | F290 E316 K321 L322 | F290-E318 HydrophobicContact CZ-CB 4.28Å; F290-E318 WeakPolarHBondContact CZ-OE2 3.3Å; E316-E318 PolarHBondContact O-N 3.31Å; E318-K321 WeakPolarHBondContact O-CB 3.29Å; E318-K321 PolarHBondContact O-N 2.99Å; E318-L322 PolarHBondContact O-N 3.43Å |
| 319 | I | 77.8 | Confident | 71.9 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.3 | -41 | -178.3 | -60.3 | 158.4 | 0 | 0 | 0 | 110.6 | Y178 L179 I287 L313 E315 K321 L322 L323 | Y178-I319 HydrophobicContact CE2-CB 4.48Å; Y178-I319 HydrophobicContact CE2-CG2 4.12Å; Y178-I319 WeakPolarHBondContact OH-CD1 3.41Å; L179-I319 HydrophobicContact CD2-CG2 4.23Å; I287-I319 HydrophobicContact CD1-CG2 4.22Å; I287-I319 HydrophobicContact CG1-CG2 4.31Å; L313-I319 HydrophobicContact CB-CD1 4.49Å; L313-I319 HydrophobicContact CD2-CD1 4.05Å; L313-I319 WeakPolarHBondContact O-CD1 3.41Å; E315-I319 WeakPolarHBondContact O-CD1 3.18Å; I319-K321 PolarHBondContact O-N 3.39Å; I319-L322 WeakPolarHBondContact O-CA 3.49Å; I319-L322 WeakPolarHBondContact O-CB 3.07Å; I319-L322 PolarHBondContact O-N 3.16Å; I319-L323 HydrophobicContact CG2-CG 4.42Å; I319-L323 WeakPolarHBondContact O-CG 3.46Å; I319-L323 PolarHBondContact O-N 2.99Å |
| 320 | V | 68.4 | Low | 70.5 | Confident | 34 Ų | 34 | 63.1 Ų | 63.1 | 21% | 0.206 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.1 | -30.5 | 178.3 | 168.2 | 0 | 0 | 0 | 0 | 112.5 | E316 L323 | E316-V320 HydrophobicContact CG-CG2 3.44Å; E316-V320 VanDerWaalsContact CG-CG2 3.44Å; E316-V320 VanDerWaalsContact O-CB 3.29Å; E316-V320 WeakPolarHBondContact O-CB 3.49Å; E316-V320 WeakPolarHBondContact O-CG2 3.38Å; E316-V320 PolarHBondContact O-N 3Å; V320-L323 HydrophobicContact CG2-CD1 4.38Å; V320-L323 PolarHBondContact O-N 2.9Å |
| 321 | K | 71.8 | Confident | 69 | Low | 138 Ų | 138 | 63.5 Ų | 63.5 | 60% | 0.6 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -66.9 | -41.9 | 173.2 | -64.7 | 169.1 | -171.9 | 165 | 0 | 110.8 | S317 E318 I319 L323 T324 | S317-K321 WeakPolarHBondContact O-CE 3.36Å; S317-K321 WeakPolarHBondContact O-CG 3.43Å; E318-K321 WeakPolarHBondContact O-CB 3.29Å; E318-K321 PolarHBondContact O-N 2.99Å; I319-K321 PolarHBondContact O-N 3.39Å; K321-L323 VanDerWaalsContact C-N 3.32Å; K321-L323 PolarHBondContact O-N 2.81Å; K321-T324 PolarHBondContact O-N 2.77Å; K321-T324 PolarHBondContact O-OG1 3.22Å |
| 322 | L | 64.1 | Low | 67.4 | Low | 34 Ų | 34 | 63.9 Ų | 63.9 | 18% | 0.178 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.3 | -31.5 | 178.5 | -60.8 | 172 | 0 | 0 | 0 | 112.7 | F290 E318 I319 T324 N325 | F290-L322 HydrophobicContact CB-CD1 3.46Å; F290-L322 VanDerWaalsContact CB-CD1 3.46Å; F290-L322 HydrophobicContact CD1-CD1 3.98Å; F290-L322 HydrophobicContact CD2-CD1 3.93Å; F290-L322 HydrophobicContact CG-CD1 3.5Å; F290-L322 VanDerWaalsContact CG-CD1 3.5Å; E318-L322 PolarHBondContact O-N 3.43Å; I319-L322 WeakPolarHBondContact O-CA 3.49Å; I319-L322 WeakPolarHBondContact O-CB 3.07Å; I319-L322 PolarHBondContact O-N 3.16Å; L322-T324 PolarHBondContact O-N 3.23Å; L322-N325 PolarHBondContact O-N 3.07Å; L322-N325 VanDerWaalsContact O-N 3.1Å |
| 323 | L | 64.5 | Low | 65.3 | Low | 20 Ų | 20 | 66 Ų | 66 | 11% | 0.105 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -17.8 | 175.5 | -63.6 | 176.2 | 0 | 0 | 0 | 113.8 | L179 F183 L279 C283 I287 I319 V320 K321 N325 | L179-L323 HydrophobicContact CD2-CD1 3.56Å; L179-L323 HydrophobicContact CD2-CD2 4.13Å; L179-L323 HydrophobicContact CD2-CG 4.37Å; F183-L323 HydrophobicContact CE2-CD1 3.9Å; F183-L323 HydrophobicContact CE2-CD2 3.92Å; F183-L323 HydrophobicContact CE2-CG 4.4Å; F183-L323 HydrophobicContact CZ-CB 4.43Å; F183-L323 HydrophobicContact CZ-CD1 4.3Å; F183-L323 HydrophobicContact CZ-CD2 4.03Å; F183-L323 HydrophobicContact CZ-CG 4.47Å; L279-L323 HydrophobicContact CD1-CD2 3.95Å; C283-L323 HydrophobicContact CB-CD2 3.85Å; I287-L323 HydrophobicContact CD1-CD2 4.41Å; I319-L323 HydrophobicContact CG2-CG 4.42Å; I319-L323 WeakPolarHBondContact O-CG 3.46Å; I319-L323 PolarHBondContact O-N 2.99Å; V320-L323 HydrophobicContact CG2-CD1 4.38Å; V320-L323 PolarHBondContact O-N 2.9Å; K321-L323 VanDerWaalsContact C-N 3.32Å; K321-L323 PolarHBondContact O-N 2.81Å; L323-N325 VanDerWaalsContact C-N 3.28Å |
| 324 | T | 59.4 | Low | 63.4 | Low | 103 Ų | 103 | 69 Ų | 69 | 63% | 0.632 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -18.5 | 175.2 | 67 | 0 | 0 | 0 | 0 | 112.7 | K321 L322 T326 | K321-T324 PolarHBondContact O-N 2.77Å; K321-T324 PolarHBondContact O-OG1 3.22Å; L322-T324 PolarHBondContact O-N 3.23Å; T324-T326 PolarHBondContact O-N 3.08Å |
| 325 | N | 61.6 | Low | 61.4 | Low | 83 Ų | 83 | 68.1 Ų | 68.1 | 44% | 0.444 | 36% | 0.362 | S | S | . | . | trans | -88 | 102.5 | 176.7 | -67.6 | -22.8 | 0 | 0 | 0 | 109.5 | H286 L322 L323 | H286-N325 PolarHBondContact CD2-O 2.95Å; L322-N325 PolarHBondContact O-N 3.07Å; L322-N325 VanDerWaalsContact O-N 3.1Å; L323-N325 VanDerWaalsContact C-N 3.28Å | ||
| 326 | T | 57.7 | Low | 59.1 | Low | 80 Ų | 80 | 70.7 Ų | 70.7 | 49% | 0.491 | 38% | 0.379 | S | S | . | . | trans | -94.6 | 0.8 | -174 | 48.2 | 0 | 0 | 0 | 0 | 114.1 | A282 T324 | A282-T326 WeakPolarHBondContact CB-O 3.16Å; T324-T326 PolarHBondContact O-N 3.08Å | ||
| 327 | H | 56.1 | Low | 57 | Low | 137 Ų | 137 | 76.2 Ų | 76.2 | 63% | 0.634 | 40% | 0.402 | S | S | * | . | trans | -118.5 | 130.1 | -178.1 | -65.2 | -66.3 | 0 | 0 | 0 | 111 | H286 | H286-H327 PolarHBondContact NE2-O 2.76Š| ||
| 328 | H | 59.2 | Low | 55.1 | Low | 13 Ų | 13 | 80.7 Ų | 80.7 | 6% | 0.06 | 42% | 0.42 | C | S | . | . | trans | -143.3 | 132.1 | 173.6 | -171.2 | -86.2 | 0 | 0 | 0 | 109 | C119 A282 L285 H286 E289 Y330 S331 D332 | C119-H328 VanDerWaalsContact SG-CE1 3.57Å; A282-H328 HydrophobicContact CB-CB 3.7Å; L285-H328 VanDerWaalsContact CD1-CE1 3.48Å; L285-H328 WeakPolarHBondContact CD1-CE1 3.43Å; L285-H328 WeakPolarHBondContact CD1-ND1 3.31Å; H286-H328 AromaticContact CE1-CD2 3.71Å; H286-H328 AromaticContact ND1-CD2 3.98Å; E289-H328 VanDerWaalsContact CD-NE2 3.33Å; E289-H328 IonicContact OE1-CE1 3.49Å; E289-H328 IonicContact OE1-NE2 2.91Å; E289-H328 PolarHBondContact OE1-NE2 3.46Å; E289-H328 IonicContact OE2-CD2 3.28Å; E289-H328 IonicContact OE2-NE2 3.65Å; H328-Y330 AromaticContact CE1-CD2 3.46Å; H328-Y330 VanDerWaalsContact CE1-CD2 3.46Å; H328-Y330 WeakPolarHBondContact CE1-CD2 3.32Å; H328-Y330 AromaticContact ND1-CD2 3.88Å; H328-Y330 PolarHBondContact ND1-N 2.93Å; H328-Y330 PolarHBondContact O-N 3.32Å; H328-S331 PolarHBondContact O-N 3.26Å; H328-D332 PolarHBondContact O-N 3.43Å | ||
| 329 | K | 59.3 | Low | 52.9 | Low | 162 Ų | 162 | 83.7 Ų | 83.7 | 70% | 0.704 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -21.9 | -170.8 | -65.7 | 178.5 | -178.4 | 173.7 | 0 | 114.4 | R96 | R96-K329 PolarHBondContact NH2-O 3.49Š|
| 330 | Y | 58.2 | Low | 50.6 | Low | 4 Ų | 4 | 89.5 Ų | 89.5 | 2% | 0.016 | 48% | 0.48 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -11 | -179.5 | -68.7 | -98 | 0 | 0 | 0 | 114.2 | N93 Q118 C119 E122 H328 | N93-Y330 WeakPolarHBondContact CB-O 3.25Å; N93-Y330 PolarHBondContact N-O 3.44Å; Q118-Y330 HydrophobicContact CG-CE1 4.37Å; C119-Y330 HydrophobicContact CB-CE2 4.38Å; E122-Y330 PolarHBondContact OE1-OH 3.3Å; E122-Y330 WeakPolarHBondContact OE2-CE2 3.5Å; E122-Y330 PolarHBondContact OE2-OH 3.16Å; H328-Y330 AromaticContact CE1-CD2 3.46Å; H328-Y330 VanDerWaalsContact CE1-CD2 3.46Å; H328-Y330 WeakPolarHBondContact CE1-CD2 3.32Å; H328-Y330 AromaticContact ND1-CD2 3.88Å; H328-Y330 PolarHBondContact ND1-N 2.93Å; H328-Y330 PolarHBondContact O-N 3.32Å |
| 331 | S | 55.1 | Low | 48.7 | Very low | 14 Ų | 14 | 93.8 Ų | 93.8 | 10% | 0.098 | 51% | 0.508 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -28.2 | 175.9 | -59 | 0 | 0 | 0 | 0 | 111.7 | G91 A282 L285 H328 | G91-S331 PolarHBondContact O-OG 2.95Å; A282-S331 VanDerWaalsContact CA-OG 3.25Å; A282-S331 WeakPolarHBondContact CA-OG 3.42Å; A282-S331 PolarHBondContact N-OG 2.99Å; L285-S331 WeakPolarHBondContact CD1-OG 3.5Å; H328-S331 PolarHBondContact O-N 3.26Å |
| 332 | D | 52.5 | Low | 46.5 | Very low | 72 Ų | 72 | 91.9 Ų | 91.9 | 39% | 0.385 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -81.4 | 144.1 | 171 | -63.5 | -43.6 | 0 | 0 | 0 | 110.6 | H328 | H328-D332 PolarHBondContact O-N 3.43Š|
| 333 | P | 42.4 | Very low | 44.7 | Very low | 71 Ų | 71 | 101.6 Ų | 101.6 | 46% | 0.461 | 55% | 0.547 | S | S | . | . | trans | -57.6 | 146.4 | 173.1 | 25 | -32.3 | 0 | 0 | 0 | 109.8 | V335 | P333-V335 PolarHBondContact O-N 3.38Š| ||
| 334 | P | 40.5 | Very low | 42.9 | Very low | 63 Ų | 63 | 105.4 Ų | 105.4 | 41% | 0.409 | 57% | 0.571 | S | S | . | * | trans | -57.2 | 113.5 | -177 | 23.7 | -31.5 | 0 | 0 | 0 | 110.2 | N336 | P334-N336 PolarHBondContact O-N 3.46Š| ||
| 335 | V | 38.7 | Very low | 41.2 | Very low | 108 Ų | 108 | 111.3 Ų | 111.3 | 66% | 0.655 | 58% | 0.581 | S | S | * | * | trans | -70.5 | 105.2 | 173.8 | 180 | 0 | 0 | 0 | 0 | 107.3 | P333 F337 | P333-V335 PolarHBondContact O-N 3.38Å; V335-F337 WeakPolarHBondContact O-CD2 3.36Å; V335-F337 PolarHBondContact O-N 3.37Å | ||
| 336 | N | 33.2 | Very low | 39.5 | Very low | 152 Ų | 152 | 114.1 Ų | 114.1 | 81% | 0.813 | 60% | 0.595 | S | S | * | * | trans | -58.2 | 105.3 | 163.7 | -84.9 | -18.4 | 0 | 0 | 0 | 108.3 | P334 L338 | P334-N336 PolarHBondContact O-N 3.46Å; N336-L338 PolarHBondContact O-N 3.49Å; N336-L338 VanDerWaalsContact O-N 3.16Å | ||
| 337 | F | 29.9 | Very low | 38.1 | Very low | 194 Ų | 194 | 117.3 Ų | 117.3 | 85% | 0.851 | 61% | 0.609 | S | S | * | * | trans | -67.8 | 108.7 | 170.8 | -71.5 | -87.2 | 0 | 0 | 0 | 109 | V335 | V335-F337 WeakPolarHBondContact O-CD2 3.36Å; V335-F337 PolarHBondContact O-N 3.37Å | ||
| 338 | L | 31.5 | Very low | 36.8 | Very low | 155 Ų | 155 | 118.3 Ų | 118.3 | 81% | 0.812 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 144.3 | 154.6 | -72.5 | 176 | 0 | 0 | 0 | 109.3 | N336 | N336-L338 PolarHBondContact O-N 3.49Å; N336-L338 VanDerWaalsContact O-N 3.16Å |
| 339 | P | 28.5 | Very low | 35.7 | Very low | 120 Ų | 120 | 123.3 Ų | 123.3 | 78% | 0.779 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -74 | 135 | -167.9 | -7.7 | 24.7 | 0 | 0 | 0 | 111.5 | ||
| 340 | V | 30.5 | Very low | 34 | Very low | 123 Ų | 123 | 120 Ų | 120 | 75% | 0.745 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 138.8 | 168.7 | 176.5 | 0 | 0 | 0 | 0 | 109.9 | ||
| 341 | P | 28.5 | Very low | 32.5 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 80% | 0.799 | 69% | 0.687 | S | S | * | * | trans | -101.6 | 115.7 | 147.6 | 31.6 | -22.5 | 0 | 0 | 0 | 109.8 | ||||
| 342 | S | 26.3 | Very low | 31.1 | Very low | 98 Ų | 98 | 131.7 Ų | 131.7 | 69% | 0.685 | 72% | 0.718 | S | S | * | * | trans | -76 | 130.8 | 168.3 | -48.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 343 | R | 26.3 | Very low | 30 | Very low | 239 Ų | 239 | 137.2 Ų | 137.2 | 90% | 0.902 | 74% | 0.739 | S | S | * | * | trans | -177.8 | 114.8 | 131.6 | -102.6 | 168.7 | 163.9 | -157.7 | -5.3 | 109.9 | ||||
| 344 | T | 24.7 | Very low | 29 | Very low | 99 Ų | 99 | 140.1 Ų | 140.1 | 61% | 0.607 | 76% | 0.756 | S | S | * | * | 112.7 | 106.3 | 53.4 | -65.8 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 345 | R | 25.5 | Very low | 28.2 | Very low | 227 Ų | 227 | 142.6 Ų | 142.6 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | trans | 70.5 | 138.6 | 149.3 | -60.6 | 170.9 | -169.4 | -171.4 | 1.3 | 116.9 | ||||
| 346 | I | 26.1 | Very low | 27.7 | Very low | 142 Ų | 142 | 145.1 Ų | 145.1 | 73% | 0.728 | 78% | 0.777 | S | S | * | * | -166.4 | 132 | 65.3 | -79.7 | 175.2 | 0 | 0 | 0 | 110.6 | |||||
| 347 | N | 27.6 | Very low | 27.3 | Very low | 148 Ų | 148 | 142.3 Ų | 142.3 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | 80.8 | 101 | 146.8 | -58.9 | -4.5 | 0 | 0 | 0 | 124.9 | ||||
| 348 | N | 27.7 | Very low | 27 | Very low | 157 Ų | 157 | 139.9 Ų | 139.9 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | trans | -9.4 | 170.9 | 130.8 | -72.5 | 0.4 | 0 | 0 | 0 | 120.4 | ||||
| 349 | P | 35.9 | Very low | 26.7 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | cis | -136.4 | 174.6 | -11.1 | 26.3 | -2.1 | 0 | 0 | 0 | 116.5 | ||||
| 350 | A | 24.4 | Very low | 26.5 | Very low | 92 Ų | 92 | 137.8 Ų | 137.8 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | trans | 59.9 | 112.4 | 142.6 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 351 | C | 27.6 | Very low | 26.2 | Very low | 100 Ų | 100 | 141.8 Ų | 141.8 | 68% | 0.676 | 76% | 0.76 | S | S | * | * | 31.7 | 116.6 | 128.8 | -152.9 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 352 | H | 24.8 | Very low | 25.9 | Very low | 165 Ų | 165 | 141.7 Ų | 141.7 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | -179.3 | 140.3 | 106.3 | -93.1 | -72.4 | 0 | 0 | 0 | 112.2 | |||||
| 353 | K | 28.5 | Very low | 25.7 | Very low | 188 Ų | 188 | 141.2 Ų | 141.2 | 82% | 0.817 | 75% | 0.754 | S | S | * | * | trans | -13.6 | 155.6 | 159.1 | -62.2 | 171.9 | 176.8 | 176.8 | 0 | 118.8 | ||||
| 354 | T | 21.9 | Very low | 25.5 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | -147.4 | 109 | 142 | -6.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 355 | V | 24.2 | Very low | 25.4 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | 83.7 | 122.7 | 96.1 | 171.3 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 356 | I | 27.9 | Very low | 25.6 | Very low | 161 Ų | 161 | 137.1 Ų | 137.1 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | -148.8 | 153.6 | 82.5 | -78.2 | 170.2 | 0 | 0 | 0 | 112.1 | |||||
| 357 | P | 26.2 | Very low | 25.7 | Very low | 94 Ų | 94 | 135.3 Ų | 135.3 | 61% | 0.61 | 75% | 0.753 | S | S | * | * | trans | -107.7 | 166.9 | -163.6 | 29.9 | -10.4 | 0 | 0 | 0 | 115.5 | ||||
| 358 | N | 23.1 | Very low | 25.4 | Very low | 142 Ų | 142 | 136.3 Ų | 136.3 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | trans | 31.6 | 131.6 | 142 | -63.3 | -4.8 | 0 | 0 | 0 | 121.2 | ||||
| 359 | N | 24.5 | Very low | 25.2 | Very low | 150 Ų | 150 | 134.7 Ų | 134.7 | 80% | 0.802 | 75% | 0.749 | S | S | * | * | -166.7 | 144.1 | 91.5 | -101.5 | -13.7 | 0 | 0 | 0 | 114.6 | |||||
| 360 | S | 24.6 | Very low | 24.9 | Very low | 82 Ų | 82 | 138 Ų | 138 | 57% | 0.573 | 75% | 0.754 | S | S | * | * | trans | -72 | 148.3 | 175.9 | 50 | 0 | 0 | 0 | 0 | 115 | ||||
| 361 | F | 24 | Very low | 24.9 | Very low | 206 Ų | 206 | 143.9 Ų | 143.9 | 90% | 0.904 | 76% | 0.762 | S | S | * | * | trans | -157.6 | 114.7 | 140.8 | -78.3 | -76.5 | 0 | 0 | 0 | 104.6 | ||||
| 362 | V | 22.1 | Very low | 24.7 | Very low | 122 Ų | 122 | 143 Ų | 143 | 74% | 0.739 | 76% | 0.762 | S | S | * | * | 60.7 | 107.8 | 54.3 | -172.4 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 363 | S | 22.7 | Very low | 24.7 | Very low | 87 Ų | 87 | 140 Ų | 140 | 61% | 0.608 | 76% | 0.759 | S | S | * | * | trans | 89.9 | 125.9 | 142.4 | -107.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 364 | N | 22 | Very low | 24.5 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | 84.2 | 133.3 | 141.7 | -50.3 | -22 | 0 | 0 | 0 | 115.7 | ||||
| 365 | Q | 22.9 | Very low | 24.9 | Very low | 188 Ų | 188 | 138.3 Ų | 138.3 | 88% | 0.879 | 76% | 0.757 | S | S | * | * | cis | -154.5 | 149.5 | 39.1 | -71.5 | 170.3 | 9.1 | 0 | 0 | 112.5 | ||||
| 366 | I | 28.1 | Very low | 25.1 | Very low | 155 Ų | 155 | 142.1 Ų | 142.1 | 80% | 0.795 | 77% | 0.767 | S | S | * | * | trans | -57.9 | 152.4 | 159.2 | -60.3 | 161.2 | 0 | 0 | 0 | 107.9 | ||||
| 367 | P | 29.7 | Very low | 25.3 | Very low | 104 Ų | 104 | 143.2 Ų | 143.2 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | -148.8 | -177.3 | 55.1 | 45.8 | -23 | 0 | 0 | 0 | 113.7 | |||||
| 368 | E | 21.5 | Very low | 25.3 | Very low | 169 Ų | 169 | 144.7 Ų | 144.7 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | cis | -179.1 | 158.2 | 25.2 | -142.8 | 166.2 | -177.6 | 0 | 0 | 109.3 | ||||
| 369 | V | 23.5 | Very low | 25.6 | Very low | 124 Ų | 124 | 145.3 Ų | 145.3 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | 76.5 | 105.4 | 153.6 | -166.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 370 | E | 28.3 | Very low | 26.1 | Very low | 186 Ų | 186 | 147.3 Ų | 147.3 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | trans | -60.9 | 148.3 | 154 | -59.5 | 174.6 | 145.9 | 0 | 0 | 112.7 | ||||
| 371 | K | 24.6 | Very low | 26.2 | Very low | 217 Ų | 217 | 150.8 Ų | 150.8 | 94% | 0.943 | 80% | 0.802 | S | S | * | * | trans | -143.4 | 132.6 | 147 | -122.5 | -176.6 | -178 | -174.2 | 0 | 111.8 | ||||
| 372 | A | 22.7 | Very low | 26.4 | Very low | 81 Ų | 81 | 148.4 Ų | 148.4 | 67% | 0.669 | 80% | 0.798 | S | S | * | * | trans | -83.6 | 158.5 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 373 | S | 26 | Very low | 26.7 | Very low | 101 Ų | 101 | 145.9 Ų | 145.9 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | 70.3 | 152.9 | 131.8 | 73.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 374 | E | 24.9 | Very low | 27.2 | Very low | 179 Ų | 179 | 147.7 Ų | 147.7 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | cis | -154.1 | 170.1 | 25.3 | -72.6 | 175 | 161.4 | 0 | 0 | 110.6 | ||||
| 375 | S | 29.3 | Very low | 27.5 | Very low | 106 Ų | 106 | 145.8 Ų | 145.8 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | trans | -62.3 | 153.8 | 165 | 43.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 376 | E | 28.8 | Very low | 27.9 | Very low | 195 Ų | 195 | 141.9 Ų | 141.9 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | trans | -145.2 | 137.8 | 145.6 | -72.6 | -159.6 | 163.6 | 0 | 0 | 112 | ||||
| 377 | E | 30.8 | Very low | 28.5 | Very low | 184 Ų | 184 | 141.1 Ų | 141.1 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -90.8 | 155.2 | 164.7 | -62.5 | -162.2 | 160.4 | 0 | 0 | 110 | ||||
| 378 | S | 27.5 | Very low | 28.7 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -160.5 | 138.6 | 148.6 | 41.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 379 | D | 29.1 | Very low | 29.9 | Very low | 155 Ų | 155 | 140.1 Ų | 140.1 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | -89.4 | 179.1 | 176.2 | -85.7 | -40.5 | 0 | 0 | 0 | 112.5 | ||||
| 380 | E | 34.9 | Very low | 30.6 | Very low | 193 Ų | 193 | 141 Ų | 141 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | 99.1 | 141.8 | 169 | -61.1 | -172.2 | -179.2 | 0 | 0 | 115.7 | ||||
| 381 | D | 26.9 | Very low | 31.8 | Very low | 155 Ų | 155 | 139.8 Ų | 139.8 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | cis | -174.3 | 169.5 | -10.7 | 178 | 31.8 | 0 | 0 | 0 | 106.1 | ||||
| 382 | D | 28.8 | Very low | 32.7 | Very low | 156 Ų | 156 | 134.5 Ų | 134.5 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | -73.1 | 142.7 | -155.6 | -118.3 | -29.9 | 0 | 0 | 0 | 120.4 | ||||
| 383 | G | 27.6 | Very low | 34.3 | Very low | 68 Ų | 68 | 134 Ų | 134 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | 88.6 | 155.1 | 142.1 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 384 | P | 32.5 | Very low | 35.3 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | cis | -112.3 | 142.9 | -25.4 | 36.5 | -21.8 | 0 | 0 | 0 | 112.5 | ||||
| 385 | A | 29.6 | Very low | 36.4 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | trans | -74.3 | 129.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 386 | P | 29.8 | Very low | 37.2 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | trans | -73.6 | 137.5 | 162.8 | 30.6 | -29.1 | 0 | 0 | 0 | 109.1 | I388 | P386-I388 PolarHBondContact O-N 3.43Š| ||
| 387 | V | 41 | Very low | 38.2 | Very low | 140 Ų | 140 | 128.7 Ų | 128.7 | 85% | 0.848 | 72% | 0.723 | S | S | * | * | trans | -61.5 | 104.7 | 176 | 178 | 0 | 0 | 0 | 0 | 109 | V389 | V387-V389 HydrophobicContact CG1-CG2 4.49Š| ||
| 388 | I | 35.3 | Very low | 39.2 | Very low | 130 Ų | 130 | 125.5 Ų | 125.5 | 67% | 0.667 | 71% | 0.706 | S | S | * | * | trans | -103.6 | 113 | 167.1 | -60.8 | 173.6 | 0 | 0 | 0 | 106.5 | P386 E390 | P386-I388 PolarHBondContact O-N 3.43Å; I388-E390 HydrophobicContact CG2-CG 3.99Å; I388-E390 PolarHBondContact O-N 2.83Å | ||
| 389 | V | 45.1 | Very low | 40.5 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 74% | 0.739 | 70% | 0.695 | S | S | * | * | trans | -73.7 | 101.8 | 168.7 | 177.8 | 0 | 0 | 0 | 0 | 106.8 | V387 | V387-V389 HydrophobicContact CG1-CG2 4.49Š| ||
| 390 | E | 38.3 | Very low | 41.4 | Very low | 141 Ų | 141 | 124.5 Ų | 124.5 | 66% | 0.659 | 68% | 0.679 | S | S | * | * | trans | -85.2 | 120.1 | 172.5 | -70.6 | -171.8 | 163.7 | 0 | 0 | 110.1 | I388 E392 | I388-E390 HydrophobicContact CG2-CG 3.99Å; I388-E390 PolarHBondContact O-N 2.83Å; E390-E392 VanDerWaalsContact C-N 3.35Å; E390-E392 PolarHBondContact O-N 3.25Å | ||
| 391 | N | 53.3 | Low | 42.4 | Very low | 162 Ų | 162 | 118.8 Ų | 118.8 | 87% | 0.866 | 65% | 0.654 | S | S | * | * | trans | -71.4 | 88.9 | 165.1 | -79.6 | -2.5 | 0 | 0 | 0 | 108.9 | S393 | N391-S393 PolarHBondContact O-N 3.15Š| ||
| 392 | E | 45.3 | Very low | 43.5 | Very low | 105 Ų | 105 | 115.3 Ų | 115.3 | 49% | 0.491 | 64% | 0.642 | S | S | . | * | trans | -75 | 122.3 | 173.8 | -71.8 | -168.1 | 176.9 | 0 | 0 | 111 | E390 K400 | E390-E392 VanDerWaalsContact C-N 3.35Å; E390-E392 PolarHBondContact O-N 3.25Å; E392-K400 IonicContact OE1-NZ 2.93Å; E392-K400 IonicContact OE2-NZ 3.92Å | ||
| 393 | S | 54.9 | Low | 44.6 | Very low | 71 Ų | 71 | 116.1 Ų | 116.1 | 50% | 0.497 | 64% | 0.638 | S | S | . | * | trans | -70.5 | 144.1 | 175.1 | 80.7 | 0 | 0 | 0 | 0 | 112.8 | N391 V395 N396 | N391-S393 PolarHBondContact O-N 3.15Å; S393-V395 PolarHBondContact O-N 2.83Å; S393-N396 PolarHBondContact O-N 3.07Å | ||
| 394 | Y | 47.3 | Very low | 45.7 | Very low | 195 Ų | 195 | 121 Ų | 121 | 77% | 0.765 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -51.5 | -23.7 | -174.8 | -136.6 | -101 | 0 | 0 | 0 | 115.3 | L397 K398 | Y394-L397 WeakPolarHBondContact O-CB 3.47Å; Y394-L397 PolarHBondContact O-N 3.32Å; Y394-K398 PolarHBondContact O-N 2.97Å |
| 395 | V | 47.2 | Very low | 46.4 | Very low | 102 Ų | 102 | 124.5 Ų | 124.5 | 62% | 0.618 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -70.9 | -33.6 | -179.8 | -177.5 | 0 | 0 | 0 | 0 | 112 | S393 L397 K399 | S393-V395 PolarHBondContact O-N 2.83Å; V395-L397 VanDerWaalsContact C-N 3.34Å; V395-K399 PolarHBondContact O-N 2.95Å |
| 396 | N | 47.6 | Very low | 47.3 | Very low | 92 Ų | 92 | 126.3 Ų | 126.3 | 49% | 0.492 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -73.9 | -30.4 | 175.1 | -77.4 | -25.9 | 0 | 0 | 0 | 111.3 | S393 K400 | S393-N396 PolarHBondContact O-N 3.07Å; N396-K400 VanDerWaalsContact O-CB 3.26Å; N396-K400 WeakPolarHBondContact O-CB 3.35Å; N396-K400 PolarHBondContact O-N 3.31Å |
| 397 | L | 49.8 | Very low | 48.3 | Very low | 81 Ų | 81 | 128.8 Ų | 128.8 | 42% | 0.424 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -63 | -48.2 | 175 | -144.7 | 82.5 | 0 | 0 | 0 | 111.3 | Y394 V395 K399 K400 I401 | Y394-L397 WeakPolarHBondContact O-CB 3.47Å; Y394-L397 PolarHBondContact O-N 3.32Å; V395-L397 VanDerWaalsContact C-N 3.34Å; L397-K399 PolarHBondContact O-N 2.96Å; L397-K400 WeakPolarHBondContact O-CB 3.48Å; L397-K400 PolarHBondContact O-N 3.43Å; L397-K400 VanDerWaalsContact O-N 3.14Å; L397-I401 HydrophobicContact CD2-CD1 4.32Å; L397-I401 HydrophobicContact CG-CD1 4.2Å; L397-I401 WeakPolarHBondContact O-CD1 3.49Å; L397-I401 WeakPolarHBondContact O-CG1 3.32Å; L397-I401 PolarHBondContact O-N 2.88Å |
| 398 | K | 50.5 | Low | 49 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 51% | 0.509 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -62.1 | -42.4 | 179.2 | -128.8 | -177.5 | -177.8 | -175.1 | 0 | 111.9 | E177 Y394 K400 I401 S402 | E177-K398 IonicContact OE1-NZ 3.05Å; E177-K398 PolarHBondContact OE1-NZ 3.22Å; E177-K398 IonicContact OE2-NZ 3.62Å; Y394-K398 PolarHBondContact O-N 2.97Å; K398-K400 PolarHBondContact O-N 3.06Å; K398-I401 PolarHBondContact O-N 3.16Å; K398-S402 PolarHBondContact O-N 3.3Å; K398-S402 PolarHBondContact O-OG 3.02Å |
| 399 | K | 55 | Low | 50.1 | Low | 145 Ų | 145 | 126 Ų | 126 | 63% | 0.63 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.5 | -35 | 173.5 | -88.9 | -178.6 | 176.6 | 175.1 | 0 | 113.4 | V395 L397 K403 | V395-K399 PolarHBondContact O-N 2.95Å; L397-K399 PolarHBondContact O-N 2.96Å; K399-K403 WeakPolarHBondContact O-CG 3.29Å; K399-K403 PolarHBondContact O-N 2.92Å; K399-K403 VanDerWaalsContact O-N 3.14Å |
| 400 | K | 49 | Very low | 50.7 | Low | 113 Ų | 113 | 129 Ų | 129 | 49% | 0.491 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -70.9 | -34.2 | 176.7 | -149 | 170.6 | -167.6 | 171.9 | 0 | 110.8 | E392 N396 L397 K398 R404 | E392-K400 IonicContact OE1-NZ 2.93Å; E392-K400 IonicContact OE2-NZ 3.92Å; N396-K400 VanDerWaalsContact O-CB 3.26Å; N396-K400 WeakPolarHBondContact O-CB 3.35Å; N396-K400 PolarHBondContact O-N 3.31Å; L397-K400 WeakPolarHBondContact O-CB 3.48Å; L397-K400 PolarHBondContact O-N 3.43Å; L397-K400 VanDerWaalsContact O-N 3.14Å; K398-K400 PolarHBondContact O-N 3.06Å; K400-R404 WeakPolarHBondContact O-CG 3.41Å; K400-R404 PolarHBondContact O-N 2.9Å |
| 401 | I | 55.4 | Low | 52.2 | Low | 73 Ų | 73 | 125.3 Ų | 125.3 | 37% | 0.374 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -72.8 | -46.6 | 175 | -64.5 | 159 | 0 | 0 | 0 | 110.9 | L397 K398 K403 R404 Y405 | L397-I401 HydrophobicContact CD2-CD1 4.32Å; L397-I401 HydrophobicContact CG-CD1 4.2Å; L397-I401 WeakPolarHBondContact O-CD1 3.49Å; L397-I401 WeakPolarHBondContact O-CG1 3.32Å; L397-I401 PolarHBondContact O-N 2.88Å; K398-I401 PolarHBondContact O-N 3.16Å; I401-K403 VanDerWaalsContact C-N 3.3Å; I401-K403 PolarHBondContact O-N 3.41Å; I401-R404 WeakPolarHBondContact O-CB 3.38Å; I401-R404 PolarHBondContact O-N 3.23Å; I401-Y405 HydrophobicContact CG2-CD2 4.23Å; I401-Y405 HydrophobicContact CG2-CE2 3.96Å; I401-Y405 WeakPolarHBondContact O-CD2 3.48Å; I401-Y405 PolarHBondContact O-N 2.93Å |
| 402 | S | 50.1 | Low | 53.2 | Low | 82 Ų | 82 | 118.8 Ų | 118.8 | 57% | 0.573 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.4 | -34.6 | 176.8 | -60.5 | 0 | 0 | 0 | 0 | 113 | K398 R404 Y405 | K398-S402 PolarHBondContact O-N 3.3Å; K398-S402 PolarHBondContact O-OG 3.02Å; S402-R404 VanDerWaalsContact C-N 3.31Å; S402-R404 PolarHBondContact O-N 3.16Å; S402-Y405 PolarHBondContact O-N 3.17Å |
| 403 | K | 51.3 | Low | 54.6 | Low | 172 Ų | 172 | 120.5 Ų | 120.5 | 75% | 0.748 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -71 | -20.3 | 171.6 | -76.6 | -176 | 177.1 | -175.6 | 0 | 114.1 | K399 I401 | K399-K403 WeakPolarHBondContact O-CG 3.29Å; K399-K403 PolarHBondContact O-N 2.92Å; K399-K403 VanDerWaalsContact O-N 3.14Å; I401-K403 VanDerWaalsContact C-N 3.3Å; I401-K403 PolarHBondContact O-N 3.41Å |
| 404 | R | 51.8 | Low | 56 | Low | 171 Ų | 171 | 119.9 Ų | 119.9 | 65% | 0.645 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -74.3 | -26.2 | 173.8 | -79.2 | -179.1 | -167.2 | -178.1 | 4.1 | 112.6 | K400 I401 S402 | K400-R404 WeakPolarHBondContact O-CG 3.41Å; K400-R404 PolarHBondContact O-N 2.9Å; I401-R404 WeakPolarHBondContact O-CB 3.38Å; I401-R404 PolarHBondContact O-N 3.23Å; S402-R404 VanDerWaalsContact C-N 3.31Å; S402-R404 PolarHBondContact O-N 3.16Å |
| 405 | Y | 46.1 | Very low | 57.8 | Low | 198 Ų | 198 | 114.4 Ų | 114.4 | 78% | 0.776 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -87.8 | -14.2 | 179.9 | -76.4 | -81.7 | 0 | 0 | 0 | 113.9 | I401 S402 W407 | I401-Y405 HydrophobicContact CG2-CD2 4.23Å; I401-Y405 HydrophobicContact CG2-CE2 3.96Å; I401-Y405 WeakPolarHBondContact O-CD2 3.48Å; I401-Y405 PolarHBondContact O-N 2.93Å; S402-Y405 PolarHBondContact O-N 3.17Å; Y405-W407 PolarHBondContact O-N 3.44Å |
| 406 | D | 49.8 | Very low | 59.8 | Low | 135 Ų | 135 | 113.3 Ų | 113.3 | 72% | 0.722 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -80.2 | 68.4 | 159.2 | -102.9 | -20.8 | 0 | 0 | 0 | 109.2 | Q408 | D406-Q408 PolarHBondContact O-N 2.87Š|
| 407 | W | 50.6 | Low | 61.9 | Low | 157 Ų | 157 | 110.4 Ų | 110.4 | 60% | 0.595 | 54% | 0.542 | S | S | * | . | trans | -70.9 | 80.9 | 179.6 | -164.5 | -100.2 | 0 | 0 | 0 | 109.3 | Y405 A409 V412 | Y405-W407 PolarHBondContact O-N 3.44Å; W407-A409 PolarHBondContact O-N 3.11Å; W407-A409 VanDerWaalsContact O-N 3.08Å; W407-V412 HydrophobicContact CD2-CG2 4.37Å; W407-V412 HydrophobicContact CG-CG2 4.08Å; W407-V412 HydrophobicContact CZ2-CG1 3.96Å; W407-V412 HydrophobicContact CZ2-CG2 4.36Å | ||
| 408 | Q | 56 | Low | 63.9 | Low | 142 Ų | 142 | 113.3 Ų | 113.3 | 66% | 0.664 | 55% | 0.551 | S | S | * | * | trans | -56.2 | 118.1 | 176 | -72 | -177.4 | -1.9 | 0 | 0 | 108.9 | D406 K410 S411 V412 | D406-Q408 PolarHBondContact O-N 2.87Å; Q408-K410 PolarHBondContact O-N 3.29Å; Q408-S411 WeakPolarHBondContact O-CA 3.22Å; Q408-S411 VanDerWaalsContact O-CB 3.25Å; Q408-S411 WeakPolarHBondContact O-CB 3.4Å; Q408-S411 PolarHBondContact O-N 3.26Å; Q408-V412 WeakPolarHBondContact O-CG2 3.43Å | ||
| 409 | A | 56.9 | Low | 65.9 | Low | 70 Ų | 70 | 112 Ų | 112 | 58% | 0.579 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -51 | -28.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | W407 H413 | W407-A409 PolarHBondContact O-N 3.11Å; W407-A409 VanDerWaalsContact O-N 3.08Å; A409-H413 PolarHBondContact O-CD2 2.99Å |
| 410 | K | 59.4 | Low | 67.5 | Low | 186 Ų | 186 | 108.2 Ų | 108.2 | 81% | 0.809 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -70.5 | -30.6 | 175.1 | -64.2 | -179 | -179.3 | 178 | 0 | 113.5 | Q408 | Q408-K410 PolarHBondContact O-N 3.29Å |
| 411 | S | 68.4 | Low | 69.5 | Low | 62 Ų | 62 | 109.7 Ų | 109.7 | 43% | 0.434 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.2 | -39.1 | 176.4 | -171.7 | 0 | 0 | 0 | 0 | 111.8 | Q408 H413 A414 E415 | Q408-S411 WeakPolarHBondContact O-CA 3.22Å; Q408-S411 VanDerWaalsContact O-CB 3.25Å; Q408-S411 WeakPolarHBondContact O-CB 3.4Å; Q408-S411 PolarHBondContact O-N 3.26Å; S411-H413 PolarHBondContact O-N 3.32Å; S411-A414 PolarHBondContact O-N 2.97Å; S411-E415 WeakPolarHBondContact O-CB 3.43Å; S411-E415 PolarHBondContact O-N 2.94Å |
| 412 | V | 73.9 | Confident | 71.3 | Confident | 25 Ų | 25 | 111.6 Ų | 111.6 | 15% | 0.152 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -61.8 | -45.2 | -177.8 | -159.7 | 0 | 0 | 0 | 0 | 112.2 | W407 Q408 A414 E415 N416 | W407-V412 HydrophobicContact CD2-CG2 4.37Å; W407-V412 HydrophobicContact CG-CG2 4.08Å; W407-V412 HydrophobicContact CZ2-CG1 3.96Å; W407-V412 HydrophobicContact CZ2-CG2 4.36Å; Q408-V412 WeakPolarHBondContact O-CG2 3.43Å; V412-A414 VanDerWaalsContact C-N 3.35Å; V412-E415 PolarHBondContact O-N 3.34Å; V412-N416 VanDerWaalsContact O-CB 3.25Å; V412-N416 WeakPolarHBondContact O-CB 3.47Å; V412-N416 PolarHBondContact O-N 3.36Å; V412-N416 PolarHBondContact O-ND2 3.4Å; V412-N416 PolarHBondContact O-OD1 3.37Å |
| 413 | H | 76 | Confident | 73.3 | Confident | 142 Ų | 142 | 112.8 Ų | 112.8 | 66% | 0.657 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.8 | -38 | -179.6 | -68.5 | -61.1 | 0 | 0 | 0 | 111.6 | A409 S411 G417 | A409-H413 PolarHBondContact O-CD2 2.99Å; S411-H413 PolarHBondContact O-N 3.32Å; H413-G417 PolarHBondContact O-N 3.39Å |
| 414 | A | 83.5 | Confident | 75.1 | Confident | 58 Ų | 58 | 112.9 Ų | 112.9 | 48% | 0.479 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.4 | -41 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S411 V412 G417 K418 | S411-A414 PolarHBondContact O-N 2.97Å; V412-A414 VanDerWaalsContact C-N 3.35Å; A414-G417 PolarHBondContact O-N 3.47Å; A414-K418 WeakPolarHBondContact O-CG 3.43Å; A414-K418 PolarHBondContact O-N 3.04Å |
| 415 | E | 85.3 | Confident | 76.9 | Confident | 80 Ų | 80 | 111.8 Ų | 111.8 | 37% | 0.374 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.1 | -45.2 | 176.6 | -170.7 | 170.5 | -170.2 | 0 | 0 | 112.2 | S411 V412 G417 K418 I419 | S411-E415 WeakPolarHBondContact O-CB 3.43Å; S411-E415 PolarHBondContact O-N 2.94Å; V412-E415 PolarHBondContact O-N 3.34Å; E415-G417 PolarHBondContact O-N 3.32Å; E415-K418 CarbonylContact O-C 3.58Å; E415-K418 WeakPolarHBondContact O-CA 3.44Å; E415-K418 WeakPolarHBondContact O-CB 3.4Å; E415-K418 PolarHBondContact O-N 3.18Å; E415-I419 HydrophobicContact CG-CD1 4.13Å; E415-I419 WeakPolarHBondContact O-CG1 3.47Å; E415-I419 PolarHBondContact O-N 2.88Å |
| 416 | N | 90.4 | Very high | 78.9 | Confident | 79 Ų | 79 | 108.3 Ų | 108.3 | 42% | 0.422 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -57.5 | -36.7 | 172.4 | -72.7 | -10.4 | 0 | 0 | 0 | 111.6 | V412 C420 | V412-N416 VanDerWaalsContact O-CB 3.25Å; V412-N416 WeakPolarHBondContact O-CB 3.47Å; V412-N416 PolarHBondContact O-N 3.36Å; V412-N416 PolarHBondContact O-ND2 3.4Å; V412-N416 PolarHBondContact O-OD1 3.37Å; N416-C420 WeakPolarHBondContact O-CB 3.02Å; N416-C420 PolarHBondContact O-N 2.83Å; N416-C420 PolarHBondContact O-SG 2.92Å |
| 417 | G | 91 | Very high | 80.6 | Confident | 31 Ų | 31 | 106.4 Ų | 106.4 | 32% | 0.32 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | H413 A414 E415 K421 | H413-G417 PolarHBondContact O-N 3.39Å; A414-G417 PolarHBondContact O-N 3.47Å; E415-G417 PolarHBondContact O-N 3.32Å; G417-K421 WeakPolarHBondContact O-CG 3.35Å; G417-K421 PolarHBondContact O-N 3.22Å; G417-K421 VanDerWaalsContact O-N 3.08Å |
| 418 | K | 91.8 | Very high | 82.3 | Confident | 141 Ų | 141 | 102.7 Ų | 102.7 | 61% | 0.613 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.3 | -45.4 | 175.3 | -68.9 | 174.1 | -177.7 | 179.5 | 0 | 111.5 | A414 E415 C420 K421 Q422 | A414-K418 WeakPolarHBondContact O-CG 3.43Å; A414-K418 PolarHBondContact O-N 3.04Å; E415-K418 CarbonylContact O-C 3.58Å; E415-K418 WeakPolarHBondContact O-CA 3.44Å; E415-K418 WeakPolarHBondContact O-CB 3.4Å; E415-K418 PolarHBondContact O-N 3.18Å; K418-C420 VanDerWaalsContact C-N 3.35Å; K418-C420 PolarHBondContact O-N 2.67Å; K418-K421 PolarHBondContact O-N 3.07Å; K418-Q422 WeakPolarHBondContact O-CG 3.39Å; K418-Q422 PolarHBondContact O-N 2.8Å |
| 419 | I | 92.1 | Very high | 84 | Confident | 90 Ų | 90 | 98.2 Ų | 98.2 | 46% | 0.462 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 177.7 | -65.2 | 167.6 | 0 | 0 | 0 | 110.3 | E415 K421 Q422 F423 | E415-I419 HydrophobicContact CG-CD1 4.13Å; E415-I419 WeakPolarHBondContact O-CG1 3.47Å; E415-I419 PolarHBondContact O-N 2.88Å; I419-K421 VanDerWaalsContact C-N 3.35Å; I419-K421 PolarHBondContact O-N 2.94Å; I419-Q422 PolarHBondContact O-N 3.01Å; I419-F423 WeakPolarHBondContact O-CB 3.25Å; I419-F423 PolarHBondContact O-N 3.34Å |
| 420 | C | 89.3 | Confident | 85.6 | Confident | 65 Ų | 65 | 105.4 Ų | 105.4 | 44% | 0.439 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.3 | -44.2 | 174.8 | -76.2 | 0 | 0 | 0 | 0 | 112.5 | N416 K418 F423 R424 | N416-C420 WeakPolarHBondContact O-CB 3.02Å; N416-C420 PolarHBondContact O-N 2.83Å; N416-C420 PolarHBondContact O-SG 2.92Å; K418-C420 VanDerWaalsContact C-N 3.35Å; K418-C420 PolarHBondContact O-N 2.67Å; C420-F423 PolarHBondContact O-N 3.42Å; C420-R424 WeakPolarHBondContact O-CG 3.3Å; C420-R424 PolarHBondContact O-N 2.96Å |
| 421 | K | 90.8 | Very high | 87 | Confident | 145 Ų | 145 | 104 Ų | 104 | 63% | 0.63 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.8 | -47.3 | 178.2 | -73.8 | 176.4 | -179 | -176.4 | 0 | 111.4 | G417 K418 I419 F423 R424 M425 | G417-K421 WeakPolarHBondContact O-CG 3.35Å; G417-K421 PolarHBondContact O-N 3.22Å; G417-K421 VanDerWaalsContact O-N 3.08Å; K418-K421 PolarHBondContact O-N 3.07Å; I419-K421 VanDerWaalsContact C-N 3.35Å; I419-K421 PolarHBondContact O-N 2.94Å; K421-F423 VanDerWaalsContact C-N 3.31Å; K421-F423 PolarHBondContact O-N 3.43Å; K421-R424 PolarHBondContact O-N 3.32Å; K421-M425 WeakPolarHBondContact O-CG 3.48Å; K421-M425 PolarHBondContact O-N 3.33Å |
| 422 | Q | 92.1 | Very high | 88.1 | Confident | 113 Ų | 113 | 103.7 Ų | 103.7 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 177.1 | -72.5 | 179.9 | -3.7 | 0 | 0 | 112 | K418 I419 M425 K426 | K418-Q422 WeakPolarHBondContact O-CG 3.39Å; K418-Q422 PolarHBondContact O-N 2.8Å; I419-Q422 PolarHBondContact O-N 3.01Å; Q422-M425 PolarHBondContact O-N 3Å; Q422-K426 WeakPolarHBondContact O-CB 3.19Å; Q422-K426 WeakPolarHBondContact O-CG 3.47Å; Q422-K426 PolarHBondContact O-N 3.14Å |
| 423 | F | 92.1 | Very high | 88.8 | Confident | 106 Ų | 106 | 106.9 Ų | 106.9 | 47% | 0.465 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 176.4 | -177.1 | -113.4 | 0 | 0 | 0 | 112 | I419 C420 K421 M425 K426 Q427 F432 | I419-F423 WeakPolarHBondContact O-CB 3.25Å; I419-F423 PolarHBondContact O-N 3.34Å; C420-F423 PolarHBondContact O-N 3.42Å; K421-F423 VanDerWaalsContact C-N 3.31Å; K421-F423 PolarHBondContact O-N 3.43Å; F423-M425 VanDerWaalsContact C-N 3.32Å; F423-M425 PolarHBondContact O-N 3.48Å; F423-K426 PolarHBondContact O-N 3.35Å; F423-Q427 HydrophobicContact CE1-CG 4.24Å; F423-Q427 HydrophobicContact CZ-CG 4.24Å; F423-Q427 WeakPolarHBondContact O-CG 3.46Å; F423-Q427 PolarHBondContact O-N 2.99Å; F423-F432 AromaticContact CE2-CZ 3.95Å; F423-F432 HydrophobicContact CE2-CZ 3.95Å |
| 424 | R | 89.9 | Confident | 89.6 | Confident | 175 Ų | 175 | 103.7 Ų | 103.7 | 66% | 0.66 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.4 | -40.5 | 174.1 | -70.8 | 178.9 | -151.5 | -178.5 | 4.5 | 112.3 | C420 K421 Q427 | C420-R424 WeakPolarHBondContact O-CG 3.3Å; C420-R424 PolarHBondContact O-N 2.96Å; K421-R424 PolarHBondContact O-N 3.32Å; R424-Q427 PolarHBondContact O-N 3.01Å |
| 425 | M | 89 | Confident | 89.9 | Confident | 147 Ų | 147 | 105 Ų | 105 | 72% | 0.724 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.8 | -40.1 | 175.5 | -67.5 | 177.9 | 73.6 | 0 | 0 | 111.8 | K421 Q422 F423 Q427 A428 | K421-M425 WeakPolarHBondContact O-CG 3.48Å; K421-M425 PolarHBondContact O-N 3.33Å; Q422-M425 PolarHBondContact O-N 3Å; F423-M425 VanDerWaalsContact C-N 3.32Å; F423-M425 PolarHBondContact O-N 3.48Å; M425-Q427 VanDerWaalsContact C-N 3.35Å; M425-Q427 PolarHBondContact O-N 3.06Å; M425-A428 PolarHBondContact O-N 3.21Å |
| 426 | K | 89 | Confident | 90 | Very high | 126 Ų | 126 | 103.5 Ų | 103.5 | 55% | 0.548 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.9 | -36.2 | 175.8 | -75.9 | -179.1 | 178.3 | -177.5 | 0 | 112.3 | Q422 F423 A428 S429 F432 | Q422-K426 WeakPolarHBondContact O-CB 3.19Å; Q422-K426 WeakPolarHBondContact O-CG 3.47Å; Q422-K426 PolarHBondContact O-N 3.14Å; F423-K426 PolarHBondContact O-N 3.35Å; K426-A428 PolarHBondContact O-N 3.5Å; K426-S429 WeakPolarHBondContact O-CB 3.47Å; K426-S429 PolarHBondContact O-N 3.23Å; K426-F432 HydrophobicContact CB-CD2 4.43Å; K426-F432 WeakPolarHBondContact O-CB 3.4Å; K426-F432 WeakPolarHBondContact O-CD1 3.1Å; K426-F432 WeakPolarHBondContact O-CG 3.42Å |
| 427 | Q | 85.7 | Confident | 89.9 | Confident | 94 Ų | 94 | 106.1 Ų | 106.1 | 44% | 0.439 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.1 | -28.7 | 175 | -75.1 | -177.5 | -21.7 | 0 | 0 | 113.6 | F423 R424 M425 S429 F432 Q433 | F423-Q427 HydrophobicContact CE1-CG 4.24Å; F423-Q427 HydrophobicContact CZ-CG 4.24Å; F423-Q427 WeakPolarHBondContact O-CG 3.46Å; F423-Q427 PolarHBondContact O-N 2.99Å; R424-Q427 PolarHBondContact O-N 3.01Å; M425-Q427 VanDerWaalsContact C-N 3.35Å; M425-Q427 PolarHBondContact O-N 3.06Å; Q427-S429 VanDerWaalsContact C-N 3.32Å; Q427-F432 HydrophobicContact CB-CE1 4.49Å; Q427-F432 HydrophobicContact CG-CD1 4.5Å; Q427-F432 HydrophobicContact CG-CE1 3.89Å; Q427-Q433 PolarHBondContact O-NE2 3.27Å; Q427-Q433 VanDerWaalsContact O-NE2 3.09Å |
| 428 | A | 86.3 | Confident | 89.8 | Confident | 80 Ų | 80 | 111.2 Ų | 111.2 | 66% | 0.661 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -11.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | M425 K426 | M425-A428 PolarHBondContact O-N 3.21Å; K426-A428 PolarHBondContact O-N 3.5Å |
| 429 | S | 92.1 | Very high | 89.6 | Confident | 48 Ų | 48 | 111.5 Ų | 111.5 | 34% | 0.336 | 53% | 0.532 | S | S | . | . | trans | -78 | 134.5 | 179.1 | 179.2 | 0 | 0 | 0 | 0 | 111.9 | K426 Q427 Q431 F432 Q433 | K426-S429 WeakPolarHBondContact O-CB 3.47Å; K426-S429 PolarHBondContact O-N 3.23Å; Q427-S429 VanDerWaalsContact C-N 3.32Å; S429-Q431 VanDerWaalsContact C-N 3.31Å; S429-Q431 PolarHBondContact O-N 3.45Å; S429-Q431 PolarHBondContact OG-N 3.49Å; S429-F432 PolarHBondContact O-N 3.43Å; S429-Q433 WeakPolarHBondContact O-CG 3.31Å; S429-Q433 PolarHBondContact O-N 2.66Å; S429-Q433 VanDerWaalsContact O-N 3.11Å | ||
| 430 | R | 89.8 | Confident | 89.4 | Confident | 221 Ų | 221 | 111.7 Ų | 111.7 | 83% | 0.834 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.4 | -36.6 | 176.7 | -67.1 | -173.2 | 178.8 | -155.8 | 0 | 112.8 | F432 Q433 S434 | R430-F432 VanDerWaalsContact C-N 3.34Å; R430-Q433 PolarHBondContact O-N 3.1Å; R430-S434 PolarHBondContact O-N 3.22Å |
| 431 | Q | 89.1 | Confident | 89.2 | Confident | 155 Ų | 155 | 113 Ų | 113 | 72% | 0.724 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.5 | -41.1 | 177.9 | -69.3 | 175 | -13 | 0 | 0 | 111.3 | S429 S434 I435 | S429-Q431 VanDerWaalsContact C-N 3.31Å; S429-Q431 PolarHBondContact O-N 3.45Å; S429-Q431 PolarHBondContact OG-N 3.49Å; Q431-S434 PolarHBondContact O-N 3.48Å; Q431-I435 WeakPolarHBondContact O-CG1 3.46Å; Q431-I435 PolarHBondContact O-N 2.9Å |
| 432 | F | 90.8 | Very high | 89.1 | Confident | 57 Ų | 57 | 108.4 Ų | 108.4 | 25% | 0.25 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -67 | -39.3 | 177.2 | -178.6 | -96.6 | 0 | 0 | 0 | 111.8 | F423 K426 Q427 S429 R430 S434 I435 L436 | F423-F432 AromaticContact CE2-CZ 3.95Å; F423-F432 HydrophobicContact CE2-CZ 3.95Å; K426-F432 HydrophobicContact CB-CD2 4.43Å; K426-F432 WeakPolarHBondContact O-CB 3.4Å; K426-F432 WeakPolarHBondContact O-CD1 3.1Å; K426-F432 WeakPolarHBondContact O-CG 3.42Å; Q427-F432 HydrophobicContact CB-CE1 4.49Å; Q427-F432 HydrophobicContact CG-CD1 4.5Å; Q427-F432 HydrophobicContact CG-CE1 3.89Å; S429-F432 PolarHBondContact O-N 3.43Å; R430-F432 VanDerWaalsContact C-N 3.34Å; F432-S434 PolarHBondContact O-N 2.92Å; F432-I435 PolarHBondContact O-N 2.71Å; F432-L436 HydrophobicContact CE1-CD2 4.31Å; F432-L436 VanDerWaalsContact O-CB 3.26Å; F432-L436 WeakPolarHBondContact O-CB 3.4Å; F432-L436 PolarHBondContact O-N 3.45Å |
| 433 | Q | 89.4 | Confident | 88.7 | Confident | 91 Ų | 91 | 106 Ų | 106 | 43% | 0.425 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.6 | -39 | 176.2 | -70.2 | 173.4 | 4.8 | 0 | 0 | 112.4 | Q427 S429 R430 L436 Q437 | Q427-Q433 PolarHBondContact O-NE2 3.27Å; Q427-Q433 VanDerWaalsContact O-NE2 3.09Å; S429-Q433 WeakPolarHBondContact O-CG 3.31Å; S429-Q433 PolarHBondContact O-N 2.66Å; S429-Q433 VanDerWaalsContact O-N 3.11Å; R430-Q433 PolarHBondContact O-N 3.1Å; Q433-L436 PolarHBondContact O-N 2.88Å; Q433-Q437 WeakPolarHBondContact O-CG 3.48Å; Q433-Q437 PolarHBondContact O-N 3.4Å |
| 434 | S | 91.9 | Very high | 88.3 | Confident | 76 Ų | 76 | 101.6 Ų | 101.6 | 53% | 0.531 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.3 | -47.6 | 175.2 | -169.8 | 0 | 0 | 0 | 0 | 111.9 | R430 Q431 F432 L436 Q437 E438 | R430-S434 PolarHBondContact O-N 3.22Å; Q431-S434 PolarHBondContact O-N 3.48Å; F432-S434 PolarHBondContact O-N 2.92Å; S434-L436 VanDerWaalsContact C-N 3.31Å; S434-L436 PolarHBondContact O-N 3.11Å; S434-Q437 PolarHBondContact O-N 3.22Å; S434-E438 PolarHBondContact O-N 3.37Å |
| 435 | I | 89.2 | Confident | 88.1 | Confident | 86 Ų | 86 | 97.2 Ų | 97.2 | 44% | 0.441 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.1 | -35.2 | 178.3 | -64.5 | 168.1 | 0 | 0 | 0 | 110.8 | Q431 F432 E438 R439 | Q431-I435 WeakPolarHBondContact O-CG1 3.46Å; Q431-I435 PolarHBondContact O-N 2.9Å; F432-I435 PolarHBondContact O-N 2.71Å; I435-E438 PolarHBondContact O-N 3.27Å; I435-R439 WeakPolarHBondContact O-CG 3.48Å; I435-R439 PolarHBondContact O-N 2.94Å |
| 436 | L | 88.8 | Confident | 88 | Confident | 48 Ų | 48 | 97.7 Ų | 97.7 | 25% | 0.251 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.8 | -39.1 | 177.1 | -175.7 | 64.9 | 0 | 0 | 0 | 111.9 | F432 Q433 S434 R439 Q440 W445 | F432-L436 HydrophobicContact CE1-CD2 4.31Å; F432-L436 VanDerWaalsContact O-CB 3.26Å; F432-L436 WeakPolarHBondContact O-CB 3.4Å; F432-L436 PolarHBondContact O-N 3.45Å; Q433-L436 PolarHBondContact O-N 2.88Å; S434-L436 VanDerWaalsContact C-N 3.31Å; S434-L436 PolarHBondContact O-N 3.11Å; L436-R439 PolarHBondContact O-N 3.2Å; L436-Q440 VanDerWaalsContact O-CG 3.27Å; L436-Q440 WeakPolarHBondContact O-CG 3.48Å; L436-Q440 PolarHBondContact O-N 3.42Å; L436-W445 HydrophobicContact CD1-CH2 3.38Å; L436-W445 HydrophobicContact CD1-CZ2 3.86Å; L436-W445 HydrophobicContact CD1-CZ3 4.14Å |
| 437 | Q | 88.4 | Confident | 87.9 | Confident | 134 Ų | 134 | 96.4 Ų | 96.4 | 63% | 0.626 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.4 | -40.7 | 176.1 | -75.2 | 175.4 | -10.5 | 0 | 0 | 112 | Q433 S434 Q440 S441 | Q433-Q437 WeakPolarHBondContact O-CG 3.48Å; Q433-Q437 PolarHBondContact O-N 3.4Å; S434-Q437 PolarHBondContact O-N 3.22Å; Q437-Q440 PolarHBondContact O-N 3.01Å; Q437-S441 PolarHBondContact O-N 3.26Å |
| 438 | E | 88.1 | Confident | 88.1 | Confident | 137 Ų | 137 | 95.9 Ų | 95.9 | 64% | 0.64 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.8 | -44.9 | 174.3 | -171.8 | 178.1 | -174.8 | 0 | 0 | 111.1 | S434 I435 Q440 S441 | S434-E438 PolarHBondContact O-N 3.37Å; I435-E438 PolarHBondContact O-N 3.27Å; E438-Q440 VanDerWaalsContact C-N 3.3Å; E438-Q440 PolarHBondContact O-N 2.82Å; E438-S441 WeakPolarHBondContact O-CB 3.44Å; E438-S441 PolarHBondContact O-N 2.83Å; E438-S441 VanDerWaalsContact O-N 3.11Å; E438-S441 PolarHBondContact O-OG 3.47Å |
| 439 | R | 88.1 | Confident | 88.3 | Confident | 147 Ų | 147 | 96.2 Ų | 96.2 | 56% | 0.555 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -64.4 | -32 | 177.3 | -72.1 | 179 | 176.9 | -156.2 | -4.9 | 113.6 | I435 L436 S441 L442 W445 | I435-R439 WeakPolarHBondContact O-CG 3.48Å; I435-R439 PolarHBondContact O-N 2.94Å; L436-R439 PolarHBondContact O-N 3.2Å; R439-S441 PolarHBondContact O-N 3.4Å; R439-L442 WeakPolarHBondContact O-CB 3.36Å; R439-L442 PolarHBondContact O-N 3.5Å; R439-W445 HydrophobicContact CB-CE3 4.22Å; R439-W445 HydrophobicContact CB-CZ3 4.37Å; R439-W445 WeakPolarHBondContact O-CB 3.35Å |
| 440 | Q | 86.9 | Confident | 88.2 | Confident | 95 Ų | 95 | 97.2 Ų | 97.2 | 44% | 0.444 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.9 | -23.5 | 175.6 | -78.5 | 173.1 | 4.1 | 0 | 0 | 113.2 | L436 Q437 E438 L442 W445 | L436-Q440 VanDerWaalsContact O-CG 3.27Å; L436-Q440 WeakPolarHBondContact O-CG 3.48Å; L436-Q440 PolarHBondContact O-N 3.42Å; Q437-Q440 PolarHBondContact O-N 3.01Å; E438-Q440 VanDerWaalsContact C-N 3.3Å; E438-Q440 PolarHBondContact O-N 2.82Å; Q440-L442 PolarHBondContact O-N 3.5Å; Q440-W445 HydrophobicContact CG-CD2 4.3Å; Q440-W445 HydrophobicContact CG-CG 4.49Å; Q440-W445 HydrophobicContact CG-CZ2 4.02Å |
| 441 | S | 86.3 | Confident | 88.2 | Confident | 92 Ų | 92 | 87.5 Ų | 87.5 | 64% | 0.643 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -10.1 | 176.9 | 74.9 | 0 | 0 | 0 | 0 | 113.7 | Q437 E438 R439 | Q437-S441 PolarHBondContact O-N 3.26Å; E438-S441 WeakPolarHBondContact O-CB 3.44Å; E438-S441 PolarHBondContact O-N 2.83Å; E438-S441 VanDerWaalsContact O-N 3.11Å; E438-S441 PolarHBondContact O-OG 3.47Å; R439-S441 PolarHBondContact O-N 3.4Å |
| 442 | L | 87.8 | Confident | 88.3 | Confident | 48 Ų | 48 | 83.3 Ų | 83.3 | 25% | 0.251 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -83.7 | 139.1 | -176.9 | -59.2 | 177.6 | 0 | 0 | 0 | 111.1 | R439 Q440 A444 W445 Y470 | R439-L442 WeakPolarHBondContact O-CB 3.36Å; R439-L442 PolarHBondContact O-N 3.5Å; Q440-L442 PolarHBondContact O-N 3.5Å; L442-A444 PolarHBondContact O-N 3.3Å; L442-W445 VanDerWaalsContact O-CB 3.24Å; L442-W445 WeakPolarHBondContact O-CB 3.1Å; L442-W445 PolarHBondContact O-N 2.78Å; L442-Y470 HydrophobicContact CD1-CD2 4.46Å; L442-Y470 HydrophobicContact CD2-CD2 3.72Å; L442-Y470 HydrophobicContact CD2-CE2 4.25Å |
| 443 | P | 83.9 | Confident | 88.4 | Confident | 64 Ų | 64 | 83.8 Ų | 83.8 | 42% | 0.416 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.8 | -30.3 | -179.4 | 24.4 | -33.4 | 0 | 0 | 0 | 112.7 | W445 E446 T469 | P443-W445 PolarHBondContact O-N 2.94Å; P443-E446 PolarHBondContact O-N 3Å; P443-T469 HydrophobicContact CG-CG2 4.22Å |
| 444 | A | 83.5 | Confident | 88.5 | Confident | 13 Ų | 13 | 82.8 Ų | 82.8 | 11% | 0.107 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -65 | -21.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L442 R448 T469 | L442-A444 PolarHBondContact O-N 3.3Å; A444-R448 PolarHBondContact O-N 3.23Å; A444-T469 VanDerWaalsContact CB-O 3.3Å; A444-T469 WeakPolarHBondContact CB-O 3.4Å |
| 445 | W | 86.5 | Confident | 88.6 | Confident | 83 Ų | 83 | 83.9 Ų | 83.9 | 31% | 0.314 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -70.2 | -34.8 | 177.7 | -174.5 | -92.6 | 0 | 0 | 0 | 112.3 | L436 R439 Q440 L442 P443 E447 R448 | L436-W445 HydrophobicContact CD1-CH2 3.38Å; L436-W445 HydrophobicContact CD1-CZ2 3.86Å; L436-W445 HydrophobicContact CD1-CZ3 4.14Å; R439-W445 HydrophobicContact CB-CE3 4.22Å; R439-W445 HydrophobicContact CB-CZ3 4.37Å; R439-W445 WeakPolarHBondContact O-CB 3.35Å; Q440-W445 HydrophobicContact CG-CD2 4.3Å; Q440-W445 HydrophobicContact CG-CG 4.49Å; Q440-W445 HydrophobicContact CG-CZ2 4.02Å; L442-W445 VanDerWaalsContact O-CB 3.24Å; L442-W445 WeakPolarHBondContact O-CB 3.1Å; L442-W445 PolarHBondContact O-N 2.78Å; P443-W445 PolarHBondContact O-N 2.94Å; W445-E447 VanDerWaalsContact C-N 3.34Å; W445-R448 VanDerWaalsContact CH2-NH1 3.32Å; W445-R448 VanDerWaalsContact O-CB 3.23Å; W445-R448 WeakPolarHBondContact O-CB 3.48Å; W445-R448 PolarHBondContact O-N 2.94Å |
| 446 | E | 86.4 | Confident | 88.8 | Confident | 157 Ų | 157 | 88 Ų | 88 | 73% | 0.734 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -65.5 | -40.3 | 177.5 | -60.7 | -176.7 | 166.3 | 0 | 0 | 110.9 | P443 R448 | P443-E446 PolarHBondContact O-N 3Å; E446-R448 VanDerWaalsContact C-N 3.29Å; E446-R448 PolarHBondContact O-N 3.29Å |
| 447 | E | 87.8 | Confident | 89 | Confident | 99 Ų | 99 | 93.7 Ų | 93.7 | 46% | 0.463 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 4.9 | 179.9 | -67.5 | -58.9 | 155.3 | 0 | 0 | 114.5 | W445 E449 T450 I451 | W445-E447 VanDerWaalsContact C-N 3.34Å; E447-E449 PolarHBondContact O-N 3.39Å; E447-T450 WeakPolarHBondContact O-CB 3.19Å; E447-T450 PolarHBondContact O-N 3.31Å; E447-T450 WeakPolarHBondContact OE2-CB 3.16Å; E447-T450 PolarHBondContact OE2-OG1 3.05Å; E447-I451 HydrophobicContact CB-CD1 4.21Å; E447-I451 VanDerWaalsContact O-CG1 3.31Å; E447-I451 WeakPolarHBondContact O-CG1 3.4Å; E447-I451 PolarHBondContact O-N 2.98Å |
| 448 | R | 89.1 | Confident | 89.2 | Confident | 83 Ų | 83 | 92.1 Ų | 92.1 | 31% | 0.313 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -51.4 | -51.4 | -178.5 | 176.8 | -175.2 | 82.9 | -160.1 | 2.7 | 112.5 | A444 W445 E446 T450 I451 L452 | A444-R448 PolarHBondContact O-N 3.23Å; W445-R448 VanDerWaalsContact CH2-NH1 3.32Å; W445-R448 VanDerWaalsContact O-CB 3.23Å; W445-R448 WeakPolarHBondContact O-CB 3.48Å; W445-R448 PolarHBondContact O-N 2.94Å; E446-R448 VanDerWaalsContact C-N 3.29Å; E446-R448 PolarHBondContact O-N 3.29Å; R448-T450 VanDerWaalsContact C-N 3.34Å; R448-I451 PolarHBondContact O-N 2.84Å; R448-L452 HydrophobicContact CG-CD1 4.06Å; R448-L452 WeakPolarHBondContact O-CB 3.49Å; R448-L452 VanDerWaalsContact O-CG 3.29Å; R448-L452 WeakPolarHBondContact O-CG 3.34Å; R448-L452 PolarHBondContact O-N 3.33Å |
| 449 | E | 91.2 | Very high | 89.4 | Confident | 87 Ų | 87 | 95.2 Ų | 95.2 | 41% | 0.407 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -69.3 | -35.6 | -175.5 | -62.1 | -57 | 150.5 | 0 | 0 | 111.5 | E447 L452 N453 | E447-E449 PolarHBondContact O-N 3.39Å; E449-L452 PolarHBondContact O-N 3.42Å; E449-N453 WeakPolarHBondContact O-CB 3.46Å; E449-N453 PolarHBondContact O-N 3.26Å; E449-N453 PolarHBondContact O-ND2 2.8Å; E449-N453 VanDerWaalsContact O-ND2 3.07Å |
| 450 | T | 90.3 | Very high | 89.6 | Confident | 68 Ų | 68 | 93.9 Ų | 93.9 | 42% | 0.417 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.8 | -49.5 | 174.3 | -46.4 | 0 | 0 | 0 | 0 | 110.5 | E447 R448 N453 L454 | E447-T450 WeakPolarHBondContact O-CB 3.19Å; E447-T450 PolarHBondContact O-N 3.31Å; E447-T450 WeakPolarHBondContact OE2-CB 3.16Å; E447-T450 PolarHBondContact OE2-OG1 3.05Å; R448-T450 VanDerWaalsContact C-N 3.34Å; T450-N453 PolarHBondContact O-N 3.21Å; T450-L454 HydrophobicContact CG2-CD1 4.45Å; T450-L454 WeakPolarHBondContact O-CG 3.38Å; T450-L454 PolarHBondContact O-N 3Å |
| 451 | I | 89.5 | Confident | 89.8 | Confident | 17 Ų | 17 | 91.3 Ų | 91.3 | 9% | 0.087 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 179 | -67 | 165.5 | 0 | 0 | 0 | 110.9 | E447 R448 N453 L454 L455 I463 F472 | E447-I451 HydrophobicContact CB-CD1 4.21Å; E447-I451 VanDerWaalsContact O-CG1 3.31Å; E447-I451 WeakPolarHBondContact O-CG1 3.4Å; E447-I451 PolarHBondContact O-N 2.98Å; R448-I451 PolarHBondContact O-N 2.84Å; I451-N453 VanDerWaalsContact C-N 3.28Å; I451-N453 PolarHBondContact O-N 3.36Å; I451-L454 PolarHBondContact O-N 2.89Å; I451-L454 VanDerWaalsContact O-N 3.13Å; I451-L455 HydrophobicContact CG2-CD1 3.95Å; I451-L455 HydrophobicContact CG2-CG 4.36Å; I451-L455 WeakPolarHBondContact O-CG 3.46Å; I451-L455 PolarHBondContact O-N 3.02Å; I451-I463 HydrophobicContact CB-CD1 4.44Å; I451-I463 HydrophobicContact CD1-CD1 4.21Å; I451-I463 HydrophobicContact CG1-CD1 4.07Å; I451-I463 HydrophobicContact CG2-CD1 3.55Å; I451-F472 HydrophobicContact CD1-CE2 4.3Å |
| 452 | L | 90.7 | Very high | 90 | Very high | 67 Ų | 67 | 93.3 Ų | 93.3 | 35% | 0.351 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.7 | -38.7 | 177.8 | -72.6 | 175.4 | 0 | 0 | 0 | 112.1 | R448 E449 R456 | R448-L452 HydrophobicContact CG-CD1 4.06Å; R448-L452 WeakPolarHBondContact O-CB 3.49Å; R448-L452 VanDerWaalsContact O-CG 3.29Å; R448-L452 WeakPolarHBondContact O-CG 3.34Å; R448-L452 PolarHBondContact O-N 3.33Å; E449-L452 PolarHBondContact O-N 3.42Å; L452-R456 WeakPolarHBondContact O-CG 3.42Å; L452-R456 PolarHBondContact O-N 2.85Å; L452-R456 VanDerWaalsContact O-N 3.14Å |
| 453 | N | 92.9 | Very high | 90 | Very high | 67 Ų | 67 | 94.5 Ų | 94.5 | 36% | 0.358 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.9 | -35.2 | 176.2 | -73.5 | -32.5 | 0 | 0 | 0 | 112.4 | E449 T450 I451 R456 K457 | E449-N453 WeakPolarHBondContact O-CB 3.46Å; E449-N453 PolarHBondContact O-N 3.26Å; E449-N453 PolarHBondContact O-ND2 2.8Å; E449-N453 VanDerWaalsContact O-ND2 3.07Å; T450-N453 PolarHBondContact O-N 3.21Å; I451-N453 VanDerWaalsContact C-N 3.28Å; I451-N453 PolarHBondContact O-N 3.36Å; N453-R456 PolarHBondContact OD1-NH1 2.65Å; N453-K457 WeakPolarHBondContact O-CG 3.37Å; N453-K457 PolarHBondContact O-N 2.71Å |
| 454 | L | 92.3 | Very high | 90.1 | Very high | 71 Ų | 71 | 96.9 Ų | 96.9 | 37% | 0.372 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.8 | -44 | 175.9 | -71.9 | 173.4 | 0 | 0 | 0 | 112 | T450 I451 R456 K457 H458 V461 | T450-L454 HydrophobicContact CG2-CD1 4.45Å; T450-L454 WeakPolarHBondContact O-CG 3.38Å; T450-L454 PolarHBondContact O-N 3Å; I451-L454 PolarHBondContact O-N 2.89Å; I451-L454 VanDerWaalsContact O-N 3.13Å; L454-R456 VanDerWaalsContact C-N 3.29Å; L454-R456 PolarHBondContact O-N 2.95Å; L454-K457 PolarHBondContact O-N 3.39Å; L454-K457 VanDerWaalsContact O-N 3.08Å; L454-H458 PolarHBondContact O-N 3.22Å; L454-H458 PolarHBondContact O-ND1 2.78Å; L454-H458 VanDerWaalsContact O-ND1 3.09Å; L454-V461 HydrophobicContact CB-CG1 4.28Å; L454-V461 HydrophobicContact CB-CG2 4.2Å |
| 455 | L | 92.5 | Very high | 90.2 | Very high | 98 Ų | 98 | 98.5 Ų | 98.5 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.6 | -33 | 176.4 | -72 | 172.1 | 0 | 0 | 0 | 112.8 | I451 K457 V461 | I451-L455 HydrophobicContact CG2-CD1 3.95Å; I451-L455 HydrophobicContact CG2-CG 4.36Å; I451-L455 WeakPolarHBondContact O-CG 3.46Å; I451-L455 PolarHBondContact O-N 3.02Å; L455-K457 VanDerWaalsContact C-N 3.32Å; L455-V461 HydrophobicContact CD2-CB 4.12Å; L455-V461 HydrophobicContact CD2-CG2 4.05Å |
| 456 | R | 92.9 | Very high | 90 | Very high | 174 Ų | 174 | 102.3 Ų | 102.3 | 66% | 0.657 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -70.6 | -27.3 | 174.1 | -73.8 | -174.7 | -139 | 130.5 | 6.9 | 113.2 | L452 N453 L454 | L452-R456 WeakPolarHBondContact O-CG 3.42Å; L452-R456 PolarHBondContact O-N 2.85Å; L452-R456 VanDerWaalsContact O-N 3.14Å; N453-R456 PolarHBondContact OD1-NH1 2.65Å; L454-R456 VanDerWaalsContact C-N 3.29Å; L454-R456 PolarHBondContact O-N 2.95Å |
| 457 | K | 93.9 | Very high | 89.3 | Confident | 166 Ų | 166 | 102.4 Ų | 102.4 | 72% | 0.722 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -96 | -27.8 | -173 | -72.7 | 177.8 | -178.5 | -178.4 | 0 | 113.6 | N453 L454 L455 | N453-K457 WeakPolarHBondContact O-CG 3.37Å; N453-K457 PolarHBondContact O-N 2.71Å; L454-K457 PolarHBondContact O-N 3.39Å; L454-K457 VanDerWaalsContact O-N 3.08Å; L455-K457 VanDerWaalsContact C-N 3.32Å |
| 458 | H | 93.4 | Very high | 88.2 | Confident | 102 Ų | 102 | 99.8 Ų | 99.8 | 47% | 0.472 | 54% | 0.537 | S | S | . | . | trans | -125.5 | 139.9 | -173.1 | -51.8 | 86.4 | 0 | 0 | 0 | 110.5 | L454 V460 V461 | L454-H458 PolarHBondContact O-N 3.22Å; L454-H458 PolarHBondContact O-ND1 2.78Å; L454-H458 VanDerWaalsContact O-ND1 3.09Å; H458-V460 VanDerWaalsContact C-N 3.29Å; H458-V461 HydrophobicContact CB-CG2 3.93Å | ||
| 459 | Q | 91.3 | Very high | 87.2 | Confident | 202 Ų | 202 | 97.5 Ų | 97.5 | 94% | 0.944 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -69.2 | -29.3 | 175.8 | -173.8 | 176.8 | 5.4 | 0 | 0 | 112.3 | ||
| 460 | V | 91.8 | Very high | 85.8 | Confident | 118 Ų | 118 | 101.4 Ų | 101.4 | 72% | 0.715 | 55% | 0.545 | S | S | * | . | trans | -131 | 127.9 | 178.9 | -175.7 | 0 | 0 | 0 | 0 | 108.9 | H458 | H458-V460 VanDerWaalsContact C-N 3.29Š| ||
| 461 | V | 91.8 | Very high | 84.4 | Confident | 42 Ų | 42 | 101.6 Ų | 101.6 | 26% | 0.255 | 54% | 0.543 | S | S | . | . | trans | -130.9 | 125.3 | 176.3 | -179.2 | 0 | 0 | 0 | 0 | 108 | L454 L455 H458 I463 | L454-V461 HydrophobicContact CB-CG1 4.28Å; L454-V461 HydrophobicContact CB-CG2 4.2Å; L455-V461 HydrophobicContact CD2-CB 4.12Å; L455-V461 HydrophobicContact CD2-CG2 4.05Å; H458-V461 HydrophobicContact CB-CG2 3.93Å; V461-I463 HydrophobicContact CG1-CD1 4.5Å; V461-I463 HydrophobicContact CG1-CG1 3.91Å | ||
| 462 | V | 89.7 | Confident | 82.6 | Confident | 134 Ų | 134 | 110.8 Ų | 110.8 | 81% | 0.812 | 58% | 0.583 | S | S | * | * | trans | -99.1 | 121.2 | 172.5 | -178.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 463 | I | 87.6 | Confident | 82.2 | Confident | 72 Ų | 72 | 113 Ų | 113 | 37% | 0.369 | 59% | 0.594 | S | S | . | * | trans | -112.8 | 117.3 | 177.1 | -51.2 | 172.1 | 0 | 0 | 0 | 107.2 | I451 V461 L471 | I451-I463 HydrophobicContact CB-CD1 4.44Å; I451-I463 HydrophobicContact CD1-CD1 4.21Å; I451-I463 HydrophobicContact CG1-CD1 4.07Å; I451-I463 HydrophobicContact CG2-CD1 3.55Å; V461-I463 HydrophobicContact CG1-CD1 4.5Å; V461-I463 HydrophobicContact CG1-CG1 3.91Å; I463-L471 HydrophobicContact CG2-CD1 4.06Å; I463-L471 HydrophobicContact CG2-CD2 3.54Å; I463-L471 HydrophobicContact CG2-CG 4.46Å | ||
| 464 | S | 87.4 | Confident | 81.6 | Confident | 114 Ų | 114 | 115.4 Ų | 115.4 | 80% | 0.797 | 61% | 0.607 | S | S | * | * | trans | -105.4 | 145.3 | 174.7 | 57 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 465 | G | 85.1 | Confident | 81 | Confident | 47 Ų | 47 | 117.9 Ų | 117.9 | 49% | 0.485 | 62% | 0.62 | S | S | . | * | trans | -153.2 | 154.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 466 | M | 81.4 | Confident | 80.3 | Confident | 163 Ų | 163 | 119.1 Ų | 119.1 | 80% | 0.803 | 63% | 0.626 | S | S | * | * | trans | -74.9 | 155.1 | 174.8 | -62.9 | 173 | 69.9 | 0 | 0 | 110.1 | G468 T469 | M466-G468 PolarHBondContact O-N 3.05Å; M466-G468 VanDerWaalsContact O-N 3.14Å; M466-T469 HydrophobicContact CB-CG2 4.44Å; M466-T469 WeakPolarHBondContact O-CB 3.09Å; M466-T469 WeakPolarHBondContact O-CG2 3.36Å; M466-T469 PolarHBondContact O-N 2.98Å; M466-T469 PolarHBondContact O-OG1 3.07Å | ||
| 467 | T | 71.7 | Confident | 79.5 | Confident | 159 Ų | 159 | 115.6 Ų | 115.6 | 98% | 0.975 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.8 | 123 | 177.5 | -47.9 | 0 | 0 | 0 | 0 | 110.7 | ||
| 468 | G | 66.4 | Low | 78.6 | Confident | 44 Ų | 44 | 112.3 Ų | 112.3 | 45% | 0.454 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 99.4 | -0.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | M466 Y470 | M466-G468 PolarHBondContact O-N 3.05Å; M466-G468 VanDerWaalsContact O-N 3.14Å; G468-Y470 WeakPolarHBondContact O-CD2 3.42Å; G468-Y470 PolarHBondContact O-N 3Å |
| 469 | T | 66.8 | Low | 77.5 | Confident | 36 Ų | 36 | 113 Ų | 113 | 22% | 0.221 | 63% | 0.628 | C | S | . | * | S | Bend | trans | -72.7 | -7 | 170.1 | 53.8 | 0 | 0 | 0 | 0 | 113.5 | P443 A444 M466 L471 | P443-T469 HydrophobicContact CG-CG2 4.22Å; A444-T469 VanDerWaalsContact CB-O 3.3Å; A444-T469 WeakPolarHBondContact CB-O 3.4Å; M466-T469 HydrophobicContact CB-CG2 4.44Å; M466-T469 WeakPolarHBondContact O-CB 3.09Å; M466-T469 WeakPolarHBondContact O-CG2 3.36Å; M466-T469 PolarHBondContact O-N 2.98Å; M466-T469 PolarHBondContact O-OG1 3.07Å; T469-L471 PolarHBondContact O-N 3.16Å |
| 470 | Y | 62.1 | Low | 76.5 | Confident | 168 Ų | 168 | 106.2 Ų | 106.2 | 66% | 0.659 | 60% | 0.604 | S | S | * | * | trans | 37.4 | 70 | -177.6 | -62.1 | -81.7 | 0 | 0 | 0 | 111.8 | L442 G468 F472 | L442-Y470 HydrophobicContact CD1-CD2 4.46Å; L442-Y470 HydrophobicContact CD2-CD2 3.72Å; L442-Y470 HydrophobicContact CD2-CE2 4.25Å; G468-Y470 WeakPolarHBondContact O-CD2 3.42Å; G468-Y470 PolarHBondContact O-N 3Å; Y470-F472 PolarHBondContact O-N 3.41Å; Y470-F472 VanDerWaalsContact O-N 3.16Å | ||
| 471 | L | 60.8 | Low | 75.2 | Confident | 72 Ų | 72 | 105.2 Ų | 105.2 | 38% | 0.377 | 59% | 0.594 | S | S | . | * | trans | -72.2 | 104.9 | 170.5 | -71 | 169.5 | 0 | 0 | 0 | 107.9 | I463 T469 | I463-L471 HydrophobicContact CG2-CD1 4.06Å; I463-L471 HydrophobicContact CG2-CD2 3.54Å; I463-L471 HydrophobicContact CG2-CG 4.46Å; T469-L471 PolarHBondContact O-N 3.16Å | ||
| 472 | F | 51.5 | Low | 73.7 | Confident | 211 Ų | 211 | 110.9 Ų | 110.9 | 93% | 0.925 | 63% | 0.625 | S | S | * | * | trans | 32.3 | 0 | 173.5 | -74.2 | -76.8 | 0 | 0 | 0 | 119.5 | I451 Y470 | I451-F472 HydrophobicContact CD1-CE2 4.3Å; Y470-F472 PolarHBondContact O-N 3.41Å; Y470-F472 VanDerWaalsContact O-N 3.16Å |
Retrieved 472 of 472 residues in 73.8 ms
(Link to these results)