| 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 | 55.1 | Low | 60 | Low | 212 Ų | 212 | 125.8 Ų | 125.8 | 100% | 1.044 | 64% | 0.64 | S | S | * | * | 0 | 48.9 | 0 | -145.9 | 169.6 | 177 | 0 | 0 | 109.5 | |||||
| 2 | D | 59.4 | Low | 60 | Low | 119 Ų | 119 | 122.8 Ų | 122.8 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | trans | -113.8 | -22 | -140.2 | -44.2 | -60.3 | 0 | 0 | 0 | 115.5 | S4 L5 L6 | D2-S4 VanDerWaalsContact C-N 3.29Å; D2-S4 PolarHBondContact O-N 3.44Å; D2-L5 PolarHBondContact O-N 3.31Å; D2-L6 PolarHBondContact O-N 3.24Å | ||
| 3 | Y | 55.8 | Low | 59.9 | Low | 206 Ų | 206 | 120.7 Ų | 120.7 | 81% | 0.808 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.8 | -32.4 | 178.6 | -67.8 | -77.2 | 0 | 0 | 0 | 113.2 | C7 | Y3-C7 PolarHBondContact O-N 2.78Å; Y3-C7 VanDerWaalsContact O-N 3.13Å |
| 4 | S | 62.3 | Low | 59.5 | Low | 83 Ų | 83 | 119.9 Ų | 119.9 | 58% | 0.58 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67.1 | -43.4 | 177.1 | -170.2 | 0 | 0 | 0 | 0 | 111.7 | D2 L6 C7 I8 | D2-S4 VanDerWaalsContact C-N 3.29Å; D2-S4 PolarHBondContact O-N 3.44Å; S4-L6 VanDerWaalsContact C-N 3.34Å; S4-L6 PolarHBondContact O-N 3.21Å; S4-C7 PolarHBondContact O-N 2.85Å; S4-I8 VanDerWaalsContact O-CG1 3.31Å; S4-I8 WeakPolarHBondContact O-CG1 3.39Å; S4-I8 PolarHBondContact O-N 3.36Å |
| 5 | L | 59.8 | Low | 59.2 | Low | 122 Ų | 122 | 116.3 Ų | 116.3 | 64% | 0.639 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.5 | -37.9 | 179.9 | -151.7 | 76.7 | 0 | 0 | 0 | 111.5 | D2 I8 H9 | D2-L5 PolarHBondContact O-N 3.31Å; L5-I8 PolarHBondContact O-N 3.48Å; L5-H9 PolarHBondContact O-N 3.47Å |
| 6 | L | 60.1 | Low | 58.7 | Low | 119 Ų | 119 | 117.3 Ų | 117.3 | 62% | 0.623 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.3 | -42.6 | 176.5 | -149.4 | 79 | 0 | 0 | 0 | 112 | D2 S4 H9 H10 | D2-L6 PolarHBondContact O-N 3.24Å; S4-L6 VanDerWaalsContact C-N 3.34Å; S4-L6 PolarHBondContact O-N 3.21Å; L6-H9 PolarHBondContact O-N 3.41Å; L6-H10 PolarHBondContact O-N 3.47Å |
| 7 | C | 60.8 | Low | 58.2 | Low | 81 Ų | 81 | 115.8 Ų | 115.8 | 55% | 0.547 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62.2 | -41.8 | 173.3 | -85.5 | 0 | 0 | 0 | 0 | 112.6 | Y3 S4 H10 L11 | Y3-C7 PolarHBondContact O-N 2.78Å; Y3-C7 VanDerWaalsContact O-N 3.13Å; S4-C7 PolarHBondContact O-N 2.85Å; C7-H10 PolarHBondContact O-N 3.39Å; C7-L11 WeakPolarHBondContact O-CB 3.33Å; C7-L11 WeakPolarHBondContact O-CG 3.37Å; C7-L11 PolarHBondContact O-N 2.92Å |
| 8 | I | 65.3 | Low | 57.4 | Low | 83 Ų | 83 | 113.8 Ų | 113.8 | 43% | 0.426 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.3 | -40.8 | 178.3 | -66.9 | 163.1 | 0 | 0 | 0 | 110.7 | S4 L5 L11 L12 | S4-I8 VanDerWaalsContact O-CG1 3.31Å; S4-I8 WeakPolarHBondContact O-CG1 3.39Å; S4-I8 PolarHBondContact O-N 3.36Å; L5-I8 PolarHBondContact O-N 3.48Å; I8-L11 PolarHBondContact O-N 2.9Å; I8-L12 HydrophobicContact CG2-CD1 3.97Å; I8-L12 WeakPolarHBondContact O-CB 3.5Å; I8-L12 WeakPolarHBondContact O-CG 3.35Å; I8-L12 PolarHBondContact O-N 2.85Å |
| 9 | H | 63.1 | Low | 56.8 | Low | 118 Ų | 118 | 117 Ų | 117 | 55% | 0.546 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -63.4 | -42.3 | 171.9 | -99.2 | 43.5 | 0 | 0 | 0 | 112.6 | L5 L6 L11 L12 I13 | L5-H9 PolarHBondContact O-N 3.47Å; L6-H9 PolarHBondContact O-N 3.41Å; H9-L11 PolarHBondContact O-N 3.14Å; H9-L12 PolarHBondContact O-N 2.83Å; H9-I13 WeakPolarHBondContact O-CB 3.39Å; H9-I13 WeakPolarHBondContact O-CD1 3.12Å; H9-I13 VanDerWaalsContact O-CG1 3.24Å; H9-I13 WeakPolarHBondContact O-CG1 3.36Å; H9-I13 PolarHBondContact O-N 3.35Å |
| 10 | H | 60.4 | Low | 56 | Low | 123 Ų | 123 | 119.9 Ų | 119.9 | 57% | 0.569 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.8 | -39.7 | 176.9 | -117.4 | -66.2 | 0 | 0 | 0 | 112.7 | L6 C7 I13 L14 | L6-H10 PolarHBondContact O-N 3.47Å; C7-H10 PolarHBondContact O-N 3.39Å; H10-I13 PolarHBondContact O-N 3.23Å; H10-L14 WeakPolarHBondContact O-CB 3.44Å; H10-L14 WeakPolarHBondContact O-CD1 3.27Å; H10-L14 VanDerWaalsContact O-CG 3.3Å; H10-L14 WeakPolarHBondContact O-CG 3.34Å; H10-L14 PolarHBondContact O-N 2.89Å |
| 11 | L | 58.3 | Low | 55.4 | Low | 118 Ų | 118 | 119.3 Ų | 119.3 | 62% | 0.618 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -67.1 | -39.4 | 175.1 | -77.6 | 162.2 | 0 | 0 | 0 | 112.4 | C7 I8 H9 L14 S15 | C7-L11 WeakPolarHBondContact O-CB 3.33Å; C7-L11 WeakPolarHBondContact O-CG 3.37Å; C7-L11 PolarHBondContact O-N 2.92Å; I8-L11 PolarHBondContact O-N 2.9Å; H9-L11 PolarHBondContact O-N 3.14Å; L11-L14 PolarHBondContact O-N 3.47Å; L11-S15 PolarHBondContact O-N 2.97Å |
| 12 | L | 59 | Low | 54.6 | Low | 90 Ų | 90 | 117.7 Ų | 117.7 | 47% | 0.471 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64.5 | -45.1 | 173.4 | -80.6 | 162.5 | 0 | 0 | 0 | 111.6 | I8 H9 L14 S15 L16 | I8-L12 HydrophobicContact CG2-CD1 3.97Å; I8-L12 WeakPolarHBondContact O-CB 3.5Å; I8-L12 WeakPolarHBondContact O-CG 3.35Å; I8-L12 PolarHBondContact O-N 2.85Å; H9-L12 PolarHBondContact O-N 2.83Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 2.85Å; L12-S15 PolarHBondContact O-N 2.88Å; L12-S15 VanDerWaalsContact O-N 3.11Å; L12-S15 PolarHBondContact O-OG 2.89Å; L12-L16 WeakPolarHBondContact O-CD1 3.31Å; L12-L16 PolarHBondContact O-N 3.4Å |
| 13 | I | 59.5 | Low | 53.8 | Low | 95 Ų | 95 | 116.5 Ų | 116.5 | 49% | 0.487 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -63.9 | -39.6 | 177 | -68.1 | 164.1 | 0 | 0 | 0 | 111 | H9 H10 S15 L16 C17 | H9-I13 WeakPolarHBondContact O-CB 3.39Å; H9-I13 WeakPolarHBondContact O-CD1 3.12Å; H9-I13 VanDerWaalsContact O-CG1 3.24Å; H9-I13 WeakPolarHBondContact O-CG1 3.36Å; H9-I13 PolarHBondContact O-N 3.35Å; H10-I13 PolarHBondContact O-N 3.23Å; I13-S15 VanDerWaalsContact C-N 3.31Å; I13-S15 PolarHBondContact O-N 3.31Å; I13-L16 PolarHBondContact O-N 2.92Å; I13-C17 PolarHBondContact O-N 2.92Å; I13-C17 PolarHBondContact O-SG 3.47Å |
| 14 | L | 54.6 | Low | 53.7 | Low | 110 Ų | 110 | 110.7 Ų | 110.7 | 58% | 0.576 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -62.8 | -35.1 | 172.4 | -79.2 | 162.4 | 0 | 0 | 0 | 112.5 | H10 L11 L12 A18 | H10-L14 WeakPolarHBondContact O-CB 3.44Å; H10-L14 WeakPolarHBondContact O-CD1 3.27Å; H10-L14 VanDerWaalsContact O-CG 3.3Å; H10-L14 WeakPolarHBondContact O-CG 3.34Å; H10-L14 PolarHBondContact O-N 2.89Å; L11-L14 PolarHBondContact O-N 3.47Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 2.85Å; L14-A18 PolarHBondContact O-N 3.32Å |
| 15 | S | 54 | Low | 53.6 | Low | 65 Ų | 65 | 112.5 Ų | 112.5 | 46% | 0.455 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -72.8 | -34.4 | 175.5 | 75.4 | 0 | 0 | 0 | 0 | 113.3 | L11 L12 I13 A18 | L11-S15 PolarHBondContact O-N 2.97Å; L12-S15 PolarHBondContact O-N 2.88Å; L12-S15 VanDerWaalsContact O-N 3.11Å; L12-S15 PolarHBondContact O-OG 2.89Å; I13-S15 VanDerWaalsContact C-N 3.31Å; I13-S15 PolarHBondContact O-N 3.31Å; S15-A18 PolarHBondContact O-N 3.47Å |
| 16 | L | 52 | Low | 54.7 | Low | 132 Ų | 132 | 111.8 Ų | 111.8 | 69% | 0.691 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -70.6 | -33.1 | 173.6 | -88.6 | 84.6 | 0 | 0 | 0 | 112.7 | L12 I13 A18 | L12-L16 WeakPolarHBondContact O-CD1 3.31Å; L12-L16 PolarHBondContact O-N 3.4Å; I13-L16 PolarHBondContact O-N 2.92Å; L16-A18 VanDerWaalsContact C-N 3.31Å |
| 17 | C | 50.3 | Low | 56.1 | Low | 92 Ų | 92 | 106.4 Ų | 106.4 | 62% | 0.622 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -77.3 | -13.2 | 175.2 | -68.2 | 0 | 0 | 0 | 0 | 113.8 | I13 Q19 | I13-C17 PolarHBondContact O-N 2.92Å; I13-C17 PolarHBondContact O-SG 3.47Å; C17-Q19 VanDerWaalsContact C-N 3.26Å; C17-Q19 PolarHBondContact O-N 2.94Å |
| 18 | A | 43.6 | Very low | 57.6 | Low | 80 Ų | 80 | 109.1 Ų | 109.1 | 66% | 0.661 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -5.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L14 S15 L16 E20 | L14-A18 PolarHBondContact O-N 3.32Å; S15-A18 PolarHBondContact O-N 3.47Å; L16-A18 VanDerWaalsContact C-N 3.31Å; A18-E20 PolarHBondContact O-N 3.44Å |
| 19 | Q | 45.9 | Very low | 59 | Low | 175 Ų | 175 | 106.7 Ų | 106.7 | 82% | 0.818 | 57% | 0.567 | S | S | * | * | trans | -89 | 39.9 | 170.8 | -151.1 | 86.4 | 31.2 | 0 | 0 | 111.4 | C17 S21 | C17-Q19 VanDerWaalsContact C-N 3.26Å; C17-Q19 PolarHBondContact O-N 2.94Å; Q19-S21 PolarHBondContact O-N 3.27Å | ||
| 20 | E | 41.2 | Very low | 60.5 | Low | 174 Ų | 174 | 104.9 Ų | 104.9 | 81% | 0.813 | 56% | 0.561 | S | S | * | * | trans | -57.3 | 129.8 | 160.3 | -79.6 | -165.1 | 153.7 | 0 | 0 | 108 | A18 E22 | A18-E20 PolarHBondContact O-N 3.44Å; E20-E22 VanDerWaalsContact C-N 3.27Å; E20-E22 PolarHBondContact O-N 3.42Å | ||
| 21 | S | 42.7 | Very low | 62.1 | Low | 108 Ų | 108 | 104.1 Ų | 104.1 | 76% | 0.755 | 57% | 0.565 | S | S | * | * | trans | -66.8 | 86.1 | -177 | 165.8 | 0 | 0 | 0 | 0 | 110.1 | Q19 S23 | Q19-S21 PolarHBondContact O-N 3.27Å; S21-S23 PolarHBondContact O-N 2.9Å | ||
| 22 | E | 39.3 | Very low | 63.9 | Low | 179 Ų | 179 | 104.1 Ų | 104.1 | 84% | 0.836 | 56% | 0.558 | S | S | * | * | trans | -65.7 | 77.9 | 155.7 | -159.2 | -179.3 | -136 | 0 | 0 | 107.4 | E20 S24 | E20-E22 VanDerWaalsContact C-N 3.27Å; E20-E22 PolarHBondContact O-N 3.42Å; E22-S24 PolarHBondContact O-N 2.78Å | ||
| 23 | S | 42.9 | Very low | 65.7 | Low | 94 Ų | 94 | 101.8 Ų | 101.8 | 66% | 0.657 | 55% | 0.545 | S | S | * | . | trans | -66.2 | 75.7 | 162.8 | 166.7 | 0 | 0 | 0 | 0 | 106.2 | S21 Q25 | S21-S23 PolarHBondContact O-N 2.9Å; S23-Q25 VanDerWaalsContact C-N 3.28Å; S23-Q25 PolarHBondContact O-N 3.39Å | ||
| 24 | S | 51.8 | Low | 67.5 | Low | 84 Ų | 84 | 104 Ų | 104 | 59% | 0.587 | 55% | 0.547 | S | S | * | . | trans | -54.5 | 96.9 | 172.4 | -177 | 0 | 0 | 0 | 0 | 106.8 | E22 R26 | E22-S24 PolarHBondContact O-N 2.78Å; S24-R26 WeakPolarHBondContact O-CG 3.32Å; S24-R26 PolarHBondContact O-N 2.91Å | ||
| 25 | Q | 60.7 | Low | 69.5 | Low | 120 Ų | 120 | 99 Ų | 99 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | trans | -75.9 | 86.7 | -168.6 | -165.4 | -177.6 | -3.7 | 0 | 0 | 107 | S23 I27 H29 | S23-Q25 VanDerWaalsContact C-N 3.28Å; S23-Q25 PolarHBondContact O-N 3.39Å; Q25-I27 WeakPolarHBondContact CG-O 3.32Å; Q25-I27 PolarHBondContact O-N 3.18Å; Q25-H29 PolarHBondContact NE2-NE2 3.49Å | ||
| 26 | R | 83.6 | Confident | 71.6 | Confident | 108 Ų | 108 | 99 Ų | 99 | 41% | 0.408 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -58.4 | -8.4 | -176 | -58.6 | -170.1 | -174.3 | -170.6 | 1.5 | 113.5 | S24 F47 T48 E51 H125 | S24-R26 WeakPolarHBondContact O-CG 3.32Å; S24-R26 PolarHBondContact O-N 2.91Å; R26-F47 HydrophobicContact CB-CD2 4.39Å; R26-F47 HydrophobicContact CB-CE2 4.09Å; R26-F47 CarbonylContact O-C 3.6Å; R26-F47 WeakPolarHBondContact O-CA 3.44Å; R26-F47 VanDerWaalsContact O-CD2 3.23Å; R26-F47 WeakPolarHBondContact O-CD2 3.34Å; R26-T48 VanDerWaalsContact C-OG1 3.3Å; R26-T48 WeakPolarHBondContact CA-OG1 3.35Å; R26-T48 PolarHBondContact O-N 3.27Å; R26-T48 PolarHBondContact O-OG1 2.99Å; R26-E51 IonicContact NH1-OE1 3.02Å; R26-E51 PolarHBondContact NH1-OE1 2.97Å; R26-H125 PolarHBondContact NH1-CE1 2.88Å; R26-H125 PolarHBondContact NH1-NE2 3.44Å |
| 27 | I | 89.4 | Confident | 73.8 | Confident | 6 Ų | 6 | 95.8 Ų | 95.8 | 3% | 0.031 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 113.6 | 178.3 | -63.1 | 163.7 | 0 | 0 | 0 | 109.5 | Q25 H29 C45 N46 F47 F117 H125 G126 | Q25-I27 WeakPolarHBondContact CG-O 3.32Å; Q25-I27 PolarHBondContact O-N 3.18Å; I27-H29 HydrophobicContact CG2-CB 4.39Å; I27-H29 PolarHBondContact O-CD2 2.98Å; I27-C45 HydrophobicContact CG2-CB 4.07Å; I27-N46 CarbonylContact C-O 3.59Å; I27-N46 VanDerWaalsContact CA-O 3.26Å; I27-N46 WeakPolarHBondContact CA-O 3.42Å; I27-F47 HydrophobicContact CD1-CD2 4.47Å; I27-F47 HydrophobicContact CG1-CD2 3.81Å; I27-F117 HydrophobicContact CD1-CD2 3.54Å; I27-F117 HydrophobicContact CD1-CE2 4.03Å; I27-F117 HydrophobicContact CG1-CD2 3.85Å; I27-F117 HydrophobicContact CG1-CE2 3.99Å; I27-F117 HydrophobicContact CG2-CE2 4Å; I27-H125 HydrophobicContact CD1-CB 3.79Å; I27-H125 WeakPolarHBondContact CD1-O 3.38Å; I27-G126 VanDerWaalsContact CD1-CA 3.46Å; I27-G126 VanDerWaalsContact CD1-N 3.26Å |
| 28 | K | 92.6 | Very high | 76.1 | Confident | 137 Ų | 137 | 94 Ų | 94 | 60% | 0.596 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 116.4 | 168.3 | -175.6 | 178 | -178.2 | 177.8 | 0 | 108.7 | F44 C45 N46 T48 | K28-F44 HydrophobicContact CG-CE1 4.33Å; K28-C45 WeakPolarHBondContact O-CA 3.42Å; K28-N46 HydrophobicContact CB-CB 4.42Å; K28-N46 PolarHBondContact N-O 3Å; K28-N46 PolarHBondContact O-N 3.29Å; K28-T48 HydrophobicContact CB-CG2 4.4Å |
| 29 | H | 93.8 | Very high | 78.6 | Confident | 32 Ų | 32 | 91.4 Ų | 91.4 | 15% | 0.148 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 165.1 | 176.8 | 67.2 | 86.8 | 0 | 0 | 0 | 109.7 | Q25 I27 F44 G127 Q128 | Q25-H29 PolarHBondContact NE2-NE2 3.49Å; I27-H29 HydrophobicContact CG2-CB 4.39Å; I27-H29 PolarHBondContact O-CD2 2.98Å; H29-F44 WeakPolarHBondContact CB-O 3.36Å; H29-G127 VanDerWaalsContact CD2-CA 3.44Å; H29-G127 WeakPolarHBondContact CD2-CA 3.31Å; H29-Q128 PolarHBondContact CE1-N 3.49Å; H29-Q128 PolarHBondContact CE1-O 2.78Å; H29-Q128 PolarHBondContact ND1-O 2.83Å; H29-Q128 VanDerWaalsContact ND1-O 3.15Å; H29-Q128 PolarHBondContact NE2-N 2.76Å |
| 30 | N | 94.4 | Very high | 81 | Confident | 80 Ų | 80 | 88.1 Ų | 88.1 | 43% | 0.428 | 47% | 0.468 | S | S | . | . | trans | -82.7 | 141 | 168.3 | -68.1 | -18.7 | 0 | 0 | 0 | 109.4 | E33 T129 | N30-E33 HydrophobicContact CB-CG 4.42Å; N30-E33 PolarHBondContact ND2-OE1 3.43Å; N30-T129 WeakPolarHBondContact O-CA 3.28Å; N30-T129 VanDerWaalsContact O-CB 3.26Å; N30-T129 WeakPolarHBondContact O-CB 3.42Å; N30-T129 VanDerWaalsContact O-CG2 3.27Å; N30-T129 WeakPolarHBondContact O-CG2 3.33Å; N30-T129 PolarHBondContact O-OG1 2.84Å | ||
| 31 | T | 94.9 | Very high | 83.7 | Confident | 107 Ų | 107 | 80.8 Ų | 80.8 | 66% | 0.656 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -76.7 | -31.3 | 177.9 | -48 | 0 | 0 | 0 | 0 | 111.7 | C130 | T31-C130 PolarHBondContact O-N 2.96Š|
| 32 | Y | 96.1 | Very high | 86.2 | Confident | 119 Ų | 119 | 78.2 Ų | 78.2 | 47% | 0.467 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 140.7 | -173.7 | -176.7 | -104.8 | 0 | 0 | 0 | 110.9 | R34 C130 T132 | Y32-R34 HydrophobicContact CD1-CG 4.4Å; Y32-R34 HydrophobicContact CE1-CG 3.54Å; Y32-C130 CarbonylContact C-O 3.49Å; Y32-C130 VanDerWaalsContact CA-O 3.31Å; Y32-C130 WeakPolarHBondContact CA-O 3.22Å; Y32-C130 HydrophobicContact CD2-CB 4.27Å; Y32-C130 VanDerWaalsContact CD2-O 3.24Å; Y32-C130 WeakPolarHBondContact CD2-O 3.36Å; Y32-T132 WeakPolarHBondContact CE2-OG1 3.29Å; Y32-T132 WeakPolarHBondContact OH-CB 3.35Å; Y32-T132 PolarHBondContact OH-OG1 2.83Å |
| 33 | E | 97.1 | Very high | 88.9 | Confident | 40 Ų | 40 | 69.7 Ų | 69.7 | 19% | 0.187 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 152.1 | 179.6 | -76.1 | -65.9 | 177.7 | 0 | 0 | 111.4 | N30 T129 C130 L131 T132 | N30-E33 HydrophobicContact CB-CG 4.42Å; N30-E33 PolarHBondContact ND2-OE1 3.43Å; E33-T129 HydrophobicContact CB-CG2 4.12Å; E33-T129 HydrophobicContact CG-CG2 3.53Å; E33-C130 PolarHBondContact N-O 2.9Å; E33-L131 HydrophobicContact CB-CD1 4.06Å; E33-L131 WeakPolarHBondContact O-CA 3.15Å; E33-T132 PolarHBondContact O-N 2.67Å |
| 34 | R | 96.8 | Very high | 91.3 | Very high | 142 Ų | 142 | 67.3 Ų | 67.3 | 54% | 0.536 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 135.6 | 174.9 | -69.2 | -178.9 | -67.4 | 176.8 | -0.2 | 110.9 | Y32 T132 I134 | Y32-R34 HydrophobicContact CD1-CG 4.4Å; Y32-R34 HydrophobicContact CE1-CG 3.54Å; R34-T132 WeakPolarHBondContact CA-O 3.38Å; R34-I134 HydrophobicContact CB-CD1 4.29Å |
| 35 | A | 97.6 | Very high | 93.3 | Very high | 5 Ų | 5 | 63.3 Ų | 63.3 | 4% | 0.041 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 140.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | I41 V105 L131 T132 I133 I134 | A35-I41 HydrophobicContact CB-CB 3.8Å; A35-I41 HydrophobicContact CB-CD1 4.44Å; A35-I41 HydrophobicContact CB-CG1 4.17Å; A35-I41 HydrophobicContact CB-CG2 4.25Å; A35-V105 HydrophobicContact CB-CG1 4.41Å; A35-V105 HydrophobicContact CB-CG2 3.86Å; A35-L131 HydrophobicContact CB-CD1 3.88Å; A35-T132 PolarHBondContact N-O 3.49Å; A35-I133 HydrophobicContact CB-CD1 4.19Å; A35-I133 WeakPolarHBondContact O-CA 3.17Å; A35-I134 WeakPolarHBondContact O-CG1 2.92Å; A35-I134 PolarHBondContact O-N 2.9Å |
| 36 | V | 97.9 | Very high | 94.8 | Very high | 65 Ų | 65 | 59 Ų | 59 | 39% | 0.394 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 134.4 | 173.3 | -173.5 | 0 | 0 | 0 | 0 | 108.8 | G38 G39 V105 I134 V220 | V36-G38 PolarHBondContact O-N 2.98Å; V36-G39 WeakPolarHBondContact O-CA 3.33Å; V36-G39 PolarHBondContact O-N 3.37Å; V36-V105 WeakPolarHBondContact O-CG2 3.32Å; V36-I134 CarbonylContact C-O 3.47Å; V36-I134 WeakPolarHBondContact CA-O 3.39Å; V36-I134 HydrophobicContact CG2-CG1 4.38Å; V36-V220 HydrophobicContact CG1-CG1 3.82Å; V36-V220 HydrophobicContact CG1-CG2 4.4Å; V36-V220 HydrophobicContact CG2-CG1 4.08Å; V36-V220 HydrophobicContact CG2-CG2 4.16Å |
| 37 | L | 97.9 | Very high | 95.1 | Very high | 65 Ų | 65 | 54 Ų | 54 | 34% | 0.34 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50 | 129.9 | 175.8 | -176.8 | 71.2 | 0 | 0 | 0 | 111.2 | G39 F107 I133 I134 | L37-G39 PolarHBondContact O-N 2.91Å; L37-F107 HydrophobicContact CD1-CD2 3.91Å; L37-F107 HydrophobicContact CD1-CE1 4.47Å; L37-F107 HydrophobicContact CD1-CE2 3.81Å; L37-F107 HydrophobicContact CD1-CG 4.32Å; L37-F107 HydrophobicContact CD1-CZ 4.11Å; L37-F107 HydrophobicContact CD2-CE2 3.69Å; L37-F107 HydrophobicContact CD2-CZ 3.86Å; L37-F107 HydrophobicContact CG-CE2 4.39Å; L37-I133 HydrophobicContact CB-CG2 3.88Å; L37-I133 HydrophobicContact CD1-CG2 3.89Å; L37-I134 PolarHBondContact N-O 3.4Å |
| 38 | G | 97.2 | Very high | 95.1 | Very high | 53 Ų | 53 | 57.6 Ų | 57.6 | 55% | 0.546 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | -7.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | V36 V105 | V36-G38 PolarHBondContact O-N 2.98Å; G38-V105 PolarHBondContact N-O 3.33Å |
| 39 | G | 96.9 | Very high | 94.7 | Very high | 26 Ų | 26 | 52.8 Ų | 52.8 | 27% | 0.268 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -79.7 | -175.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | V36 L37 G104 V105 | V36-G39 WeakPolarHBondContact O-CA 3.33Å; V36-G39 PolarHBondContact O-N 3.37Å; L37-G39 PolarHBondContact O-N 2.91Å; G39-G104 CarbonylContact O-C 3.5Å; G39-G104 WeakPolarHBondContact O-CA 3.34Å; G39-G104 PolarHBondContact O-N 3.3Å; G39-G104 VanDerWaalsContact O-N 3.12Å; G39-V105 PolarHBondContact O-N 3.42Å |
| 40 | N | 97.1 | Very high | 94.1 | Very high | 106 Ų | 106 | 59.7 Ų | 59.7 | 57% | 0.567 | 33% | 0.331 | S | S | * | . | trans | -111.5 | 145.2 | 175.3 | -61.8 | -12.2 | 0 | 0 | 0 | 109.7 | I102 Q103 G104 | N40-I102 WeakPolarHBondContact CA-O 3.47Å; N40-Q103 WeakPolarHBondContact OD1-CA 3.49Å; N40-G104 PolarHBondContact OD1-N 3.09Å | ||
| 41 | I | 96.5 | Very high | 93.6 | Very high | 20 Ų | 20 | 57.5 Ų | 57.5 | 10% | 0.103 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 144.1 | 175.6 | -172.6 | 58.8 | 0 | 0 | 0 | 110.3 | A35 T101 I102 V105 L131 | A35-I41 HydrophobicContact CB-CB 3.8Å; A35-I41 HydrophobicContact CB-CD1 4.44Å; A35-I41 HydrophobicContact CB-CG1 4.17Å; A35-I41 HydrophobicContact CB-CG2 4.25Å; I41-T101 CarbonylContact O-C 3.58Å; I41-T101 WeakPolarHBondContact O-CA 3.45Å; I41-I102 HydrophobicContact CG2-CB 4.13Å; I41-I102 PolarHBondContact N-O 3.05Å; I41-I102 PolarHBondContact O-N 3.36Å; I41-V105 HydrophobicContact CB-CG1 4.45Å; I41-V105 HydrophobicContact CG2-CG1 3.62Å; I41-L131 HydrophobicContact CG1-CD1 4.03Å; I41-L131 HydrophobicContact CG2-CD1 4.36Å; I41-L131 HydrophobicContact CG2-CD2 3.93Å |
| 42 | S | 95.8 | Very high | 93.1 | Very high | 55 Ų | 55 | 58.6 Ų | 58.6 | 39% | 0.385 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 112.8 | 174.5 | -64.3 | 0 | 0 | 0 | 0 | 109.9 | M100 T101 | S42-M100 CarbonylContact C-O 3.59Å; S42-M100 WeakPolarHBondContact CA-O 3.43Å; S42-T101 PolarHBondContact OG-OG1 2.92Å |
| 43 | I | 95.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 129.2 | 174.3 | -60.9 | -175.8 | 0 | 0 | 0 | 108.6 | W58 F99 M100 Y113 T129 | I43-W58 HydrophobicContact CB-CZ3 4.28Å; I43-W58 HydrophobicContact CG2-CH2 4.19Å; I43-W58 HydrophobicContact CG2-CZ3 3.78Å; I43-F99 CarbonylContact O-C 3.55Å; I43-F99 WeakPolarHBondContact O-CA 3.41Å; I43-M100 HydrophobicContact CB-CE 4.14Å; I43-M100 HydrophobicContact CD1-CE 3.78Å; I43-M100 HydrophobicContact CG1-CE 4.26Å; I43-M100 PolarHBondContact N-O 3.04Å; I43-M100 PolarHBondContact O-N 3.5Å; I43-Y113 HydrophobicContact CD1-CD2 3.65Å; I43-Y113 HydrophobicContact CD1-CE2 4.4Å; I43-Y113 HydrophobicContact CD1-CG 3.89Å; I43-T129 HydrophobicContact CD1-CG2 4.46Å; I43-T129 HydrophobicContact CG2-CG2 3.96Å |
| 44 | F | 93.3 | Very high | 92.5 | Very high | 44 Ų | 44 | 57.9 Ų | 57.9 | 19% | 0.193 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 135.9 | -174.9 | 165 | -113.4 | 0 | 0 | 0 | 112.1 | K28 H29 N46 A97 F99 | K28-F44 HydrophobicContact CG-CE1 4.33Å; H29-F44 WeakPolarHBondContact CB-O 3.36Å; F44-N46 HydrophobicContact CE1-CB 4.12Å; F44-N46 HydrophobicContact CE2-CB 3.64Å; F44-N46 HydrophobicContact CZ-CB 3.28Å; F44-A97 HydrophobicContact CE2-CB 4.22Å; F44-F99 HydrophobicContact CB-CD1 3.9Å; F44-F99 HydrophobicContact CB-CE1 3.72Å; F44-F99 HydrophobicContact CB-CZ 4.39Å; F44-F99 HydrophobicContact CD2-CD1 4Å; F44-F99 HydrophobicContact CD2-CD2 4.18Å; F44-F99 AromaticContact CD2-CE1 3.41Å; F44-F99 HydrophobicContact CD2-CE1 3.41Å; F44-F99 VanDerWaalsContact CD2-CE1 3.41Å; F44-F99 AromaticContact CD2-CE2 3.57Å; F44-F99 HydrophobicContact CD2-CE2 3.57Å; F44-F99 HydrophobicContact CD2-CG 4.37Å; F44-F99 AromaticContact CD2-CZ 3.17Å; F44-F99 HydrophobicContact CD2-CZ 3.17Å; F44-F99 HydrophobicContact CE2-CE1 4.28Å; F44-F99 AromaticContact CE2-CE2 3.87Å; F44-F99 HydrophobicContact CE2-CE2 3.87Å; F44-F99 AromaticContact CE2-CZ 3.61Å; F44-F99 HydrophobicContact CE2-CZ 3.61Å; F44-F99 HydrophobicContact CG-CD1 4.41Å; F44-F99 AromaticContact CG-CE1 3.87Å; F44-F99 HydrophobicContact CG-CE1 3.87Å; F44-F99 HydrophobicContact CG-CZ 4.05Å |
| 45 | C | 93.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 133.8 | 163.3 | -66.1 | 0 | 0 | 0 | 0 | 111.5 | I27 K28 W58 Y98 C115 F117 | I27-C45 HydrophobicContact CG2-CB 4.07Å; K28-C45 WeakPolarHBondContact O-CA 3.42Å; C45-W58 HydrophobicContact CB-CH2 4.26Å; C45-Y98 PolarHBondContact N-O 3.41Å; C45-Y98 PolarHBondContact O-N 2.88Å; C45-Y98 VanDerWaalsContact O-O 3.06Å; C45-C115 HydrophobicContact CB-CB 3.63Å; C45-C115 WeakPolarHBondContact CB-SG 3.31Å; C45-C115 WeakPolarHBondContact SG-CB 3.46Å; C45-C115 CovalentContact SG-SG 2.02Å; C45-C115 PolarHBondContact SG-SG 2.86Å; C45-F117 HydrophobicContact CB-CE2 3.85Å; C45-F117 HydrophobicContact CB-CZ 4Å |
| 46 | N | 92.5 | Very high | 92.1 | Very high | 28 Ų | 28 | 54 Ų | 54 | 15% | 0.15 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 126.4 | 173.4 | 173.5 | -33.9 | 0 | 0 | 0 | 110.5 | I27 K28 F44 S96 A97 | I27-N46 CarbonylContact C-O 3.59Å; I27-N46 VanDerWaalsContact CA-O 3.26Å; I27-N46 WeakPolarHBondContact CA-O 3.42Å; K28-N46 HydrophobicContact CB-CB 4.42Å; K28-N46 PolarHBondContact N-O 3Å; K28-N46 PolarHBondContact O-N 3.29Å; F44-N46 HydrophobicContact CE1-CB 4.12Å; F44-N46 HydrophobicContact CE2-CB 3.64Å; F44-N46 HydrophobicContact CZ-CB 3.28Å; N46-S96 CarbonylContact C-O 3.57Å; N46-S96 VanDerWaalsContact CA-O 3.23Å; N46-S96 WeakPolarHBondContact CA-O 3.39Å; N46-A97 HydrophobicContact CB-CB 4.36Å |
| 47 | F | 90.8 | Very high | 92 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 1% | 0.013 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 113.7 | 177.7 | -175 | -126 | 0 | 0 | 0 | 110.5 | R26 I27 S49 E51 V53 S96 F117 T119 H125 | R26-F47 HydrophobicContact CB-CD2 4.39Å; R26-F47 HydrophobicContact CB-CE2 4.09Å; R26-F47 CarbonylContact O-C 3.6Å; R26-F47 WeakPolarHBondContact O-CA 3.44Å; R26-F47 VanDerWaalsContact O-CD2 3.23Å; R26-F47 WeakPolarHBondContact O-CD2 3.34Å; I27-F47 HydrophobicContact CD1-CD2 4.47Å; I27-F47 HydrophobicContact CG1-CD2 3.81Å; F47-S49 VanDerWaalsContact CZ-CB 3.44Å; F47-E51 HydrophobicContact CE1-CB 3.96Å; F47-E51 HydrophobicContact CZ-CB 4.26Å; F47-V53 HydrophobicContact CD1-CG2 3.52Å; F47-V53 HydrophobicContact CE1-CG2 3.88Å; F47-V53 HydrophobicContact CG-CG2 4.44Å; F47-S96 PolarHBondContact N-O 2.69Å; F47-S96 WeakPolarHBondContact O-CB 3.29Å; F47-F117 HydrophobicContact CB-CD1 3.55Å; F47-F117 HydrophobicContact CB-CD2 4.12Å; F47-F117 HydrophobicContact CB-CE1 3.48Å; F47-F117 VanDerWaalsContact CB-CE1 3.48Å; F47-F117 HydrophobicContact CB-CE2 4.08Å; F47-F117 HydrophobicContact CB-CG 3.87Å; F47-F117 HydrophobicContact CB-CZ 3.76Å; F47-F117 HydrophobicContact CD1-CD1 4.35Å; F47-F117 HydrophobicContact CD2-CB 4.28Å; F47-F117 HydrophobicContact CD2-CD2 4.37Å; F47-F117 HydrophobicContact CD2-CG 4.17Å; F47-F117 HydrophobicContact CG-CB 4.33Å; F47-F117 AromaticContact CG-CD1 3.98Å; F47-F117 HydrophobicContact CG-CD1 3.98Å; F47-F117 HydrophobicContact CG-CD2 4.46Å; F47-F117 HydrophobicContact CG-CE1 4.4Å; F47-F117 AromaticContact CG-CG 4Å; F47-F117 HydrophobicContact CG-CG 4Å; F47-T119 HydrophobicContact CE1-CG2 3.67Å; F47-T119 HydrophobicContact CZ-CG2 3.75Å; F47-H125 HydrophobicContact CD2-CB 4.46Å; F47-H125 HydrophobicContact CE2-CB 3.79Å; F47-H125 AromaticContact CE2-CD2 3.61Å; F47-H125 AromaticContact CE2-CG 3.88Å; F47-H125 AromaticContact CZ-CD2 3.63Å |
| 48 | T | 88.3 | Confident | 91.9 | Very high | 82 Ų | 82 | 48.3 Ų | 48.3 | 50% | 0.503 | 28% | 0.278 | S | S | . | . | trans | -87.7 | -2.6 | -172.1 | 56 | 0 | 0 | 0 | 0 | 113.9 | R26 K28 | R26-T48 VanDerWaalsContact C-OG1 3.3Å; R26-T48 WeakPolarHBondContact CA-OG1 3.35Å; R26-T48 PolarHBondContact O-N 3.27Å; R26-T48 PolarHBondContact O-OG1 2.99Å; K28-T48 HydrophobicContact CB-CG2 4.4Å | ||
| 49 | S | 84.9 | Confident | 91.8 | Very high | 36 Ų | 36 | 47.2 Ų | 47.2 | 25% | 0.252 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -78.8 | 153.5 | 174.1 | -163.8 | 0 | 0 | 0 | 0 | 111.4 | F47 E51 | F47-S49 VanDerWaalsContact CZ-CB 3.44Å; S49-E51 PolarHBondContact O-N 3.42Å; S49-E51 WeakPolarHBondContact OG-CG 3.44Å; S49-E51 PolarHBondContact OG-OE1 3.33Å |
| 50 | L | 80.5 | Confident | 91.8 | Very high | 178 Ų | 178 | 46.5 Ų | 46.5 | 93% | 0.932 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -83.9 | 8.3 | 173.9 | -60.9 | 176.8 | 0 | 0 | 0 | 113 | ||
| 51 | E | 85 | Confident | 91.6 | Very high | 33 Ų | 33 | 43.1 Ų | 43.1 | 15% | 0.154 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -73 | 143.8 | 178.8 | -66.2 | 165.2 | -117.3 | 0 | 0 | 112.2 | R26 F47 S49 V53 T119 H122 H125 | R26-E51 IonicContact NH1-OE1 3.02Å; R26-E51 PolarHBondContact NH1-OE1 2.97Å; F47-E51 HydrophobicContact CE1-CB 3.96Å; F47-E51 HydrophobicContact CZ-CB 4.26Å; S49-E51 PolarHBondContact O-N 3.42Å; S49-E51 WeakPolarHBondContact OG-CG 3.44Å; S49-E51 PolarHBondContact OG-OE1 3.33Å; E51-V53 PolarHBondContact O-N 2.98Å; E51-T119 HydrophobicContact CB-CG2 4.01Å; E51-T119 PolarHBondContact OE2-OG1 2.86Å; E51-H122 WeakPolarHBondContact OE2-CB 3.33Å; E51-H122 IonicContact OE2-CG 3.42Å; E51-H122 IonicContact OE2-ND1 2.91Å; E51-H122 PolarHBondContact OE2-ND1 3.39Å; E51-H125 IonicContact OE1-NE2 3.9Å; E51-H125 IonicContact OE2-NE2 3.7Å |
| 52 | N | 84.8 | Confident | 90.8 | Very high | 131 Ų | 131 | 47.4 Ų | 47.4 | 70% | 0.701 | 25% | 0.249 | S | C | * | . | trans | -67.9 | 123.9 | 175 | -69 | -25.3 | 0 | 0 | 0 | 111.2 | T119 | N52-T119 WeakPolarHBondContact O-CA 3.28Å; N52-T119 WeakPolarHBondContact O-CB 3.45Å; N52-T119 WeakPolarHBondContact O-CG2 3.1Å | ||
| 53 | V | 88.9 | Confident | 89.8 | Confident | 25 Ų | 25 | 48.1 Ų | 48.1 | 15% | 0.152 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 113.5 | 174.5 | 179.8 | 0 | 0 | 0 | 0 | 109.2 | F47 E51 F117 T119 | F47-V53 HydrophobicContact CD1-CG2 3.52Å; F47-V53 HydrophobicContact CE1-CG2 3.88Å; F47-V53 HydrophobicContact CG-CG2 4.44Å; E51-V53 PolarHBondContact O-N 2.98Å; V53-F117 HydrophobicContact CG1-CD1 3.93Å; V53-F117 HydrophobicContact CG2-CD1 3.87Å; V53-T119 HydrophobicContact CG2-CG2 4.44Å |
| 54 | E | 90.9 | Very high | 88.8 | Confident | 118 Ų | 118 | 54.1 Ų | 54.1 | 55% | 0.551 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | -42 | 176.3 | -65.4 | -63.6 | 149.1 | 0 | 0 | 111.3 | S73 N118 F120 | E54-S73 VanDerWaalsContact O-CB 3.23Å; E54-S73 WeakPolarHBondContact O-CB 3.46Å; E54-N118 PolarHBondContact N-O 3.49Å; E54-F120 HydrophobicContact CG-CB 4.41Å |
| 55 | Q | 92.3 | Very high | 88.3 | Confident | 64 Ų | 64 | 58.6 Ų | 58.6 | 30% | 0.299 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 140.3 | -178.3 | -171.3 | -178.1 | -81.2 | 0 | 0 | 110.9 | T57 Y72 N118 | Q55-T57 PolarHBondContact NE2-OG1 3.02Å; Q55-Y72 CarbonylContact C-O 3.54Å; Q55-Y72 WeakPolarHBondContact CA-O 3.48Å; Q55-Y72 VanDerWaalsContact CG-O 3.25Å; Q55-Y72 WeakPolarHBondContact CG-O 3.5Å; Q55-N118 WeakPolarHBondContact O-CB 3.36Å; Q55-N118 PolarHBondContact O-N 3.42Å; Q55-N118 PolarHBondContact O-ND2 2.78Å |
| 56 | I | 93.7 | Very high | 88.2 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 134.8 | 160.1 | -169.9 | 171.2 | 0 | 0 | 0 | 110.2 | W58 T71 Y72 Y98 C115 L116 F117 | I56-W58 HydrophobicContact CD1-CZ2 3.92Å; I56-T71 CarbonylContact O-C 3.58Å; I56-T71 VanDerWaalsContact O-CA 3.24Å; I56-T71 WeakPolarHBondContact O-CA 3.48Å; I56-Y72 PolarHBondContact N-O 2.92Å; I56-Y72 PolarHBondContact O-N 3.46Å; I56-Y98 HydrophobicContact CB-CD1 4.22Å; I56-Y98 HydrophobicContact CB-CE1 4.45Å; I56-Y98 VanDerWaalsContact CD1-CB 3.46Å; I56-Y98 HydrophobicContact CD1-CD1 4.12Å; I56-Y98 HydrophobicContact CD1-CD2 4.29Å; I56-Y98 HydrophobicContact CD1-CG 3.71Å; I56-Y98 HydrophobicContact CG2-CD1 3.54Å; I56-Y98 HydrophobicContact CG2-CE1 3.87Å; I56-Y98 HydrophobicContact CG2-CG 4.24Å; I56-C115 HydrophobicContact CD1-CB 4.27Å; I56-L116 CarbonylContact C-O 3.6Å; I56-L116 WeakPolarHBondContact CA-O 3.4Å; I56-F117 HydrophobicContact CD1-CE1 4.01Å; I56-F117 HydrophobicContact CD1-CE2 4.24Å; I56-F117 HydrophobicContact CD1-CZ 3.86Å |
| 57 | T | 95.3 | Very high | 88.3 | Confident | 10 Ų | 10 | 64.1 Ų | 64.1 | 6% | 0.061 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 127.2 | 174.3 | -58.6 | 0 | 0 | 0 | 0 | 109.3 | Q55 Q59 N68 T71 L116 N118 | Q55-T57 PolarHBondContact NE2-OG1 3.02Å; T57-Q59 HydrophobicContact CG2-CG 4.24Å; T57-N68 HydrophobicContact CG2-CB 4.5Å; T57-T71 HydrophobicContact CG2-CG2 3.95Å; T57-L116 PolarHBondContact N-O 3.19Å; T57-L116 PolarHBondContact O-N 2.95Å; T57-N118 PolarHBondContact OG1-ND2 3.02Å |
| 58 | W | 96.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 0% | 0.004 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 133.3 | 172 | -67.8 | 94.4 | 0 | 0 | 0 | 110 | I43 C45 I56 I69 G70 C90 M100 K114 C115 | I43-W58 HydrophobicContact CB-CZ3 4.28Å; I43-W58 HydrophobicContact CG2-CH2 4.19Å; I43-W58 HydrophobicContact CG2-CZ3 3.78Å; C45-W58 HydrophobicContact CB-CH2 4.26Å; I56-W58 HydrophobicContact CD1-CZ2 3.92Å; W58-I69 HydrophobicContact CB-CD1 4.39Å; W58-I69 HydrophobicContact CB-CG1 3.92Å; W58-I69 WeakPolarHBondContact O-CG1 3.4Å; W58-I69 PolarHBondContact O-N 3.23Å; W58-G70 PolarHBondContact N-O 2.95Å; W58-G70 PolarHBondContact O-N 3.07Å; W58-C90 VanDerWaalsContact CD1-SG 3.6Å; W58-M100 HydrophobicContact CB-SD 3.83Å; W58-M100 HydrophobicContact CD2-CB 3.64Å; W58-M100 HydrophobicContact CD2-CE 4.45Å; W58-M100 HydrophobicContact CD2-CG 4.2Å; W58-M100 HydrophobicContact CD2-SD 3.78Å; W58-M100 HydrophobicContact CE3-CB 3.82Å; W58-M100 HydrophobicContact CE3-CE 3.8Å; W58-M100 HydrophobicContact CE3-CG 4.39Å; W58-M100 HydrophobicContact CE3-SD 3.72Å; W58-M100 HydrophobicContact CG-CB 4.24Å; W58-M100 HydrophobicContact CG-CG 4.39Å; W58-M100 HydrophobicContact CG-SD 3.83Å; W58-M100 HydrophobicContact CH2-CB 3.88Å; W58-M100 HydrophobicContact CZ2-CB 3.72Å; W58-M100 HydrophobicContact CZ3-CB 3.93Å; W58-M100 HydrophobicContact CZ3-CE 4.15Å; W58-K114 CarbonylContact C-O 3.49Å; W58-K114 WeakPolarHBondContact CA-O 3.2Å; W58-C115 HydrophobicContact CD2-CB 4.33Å; W58-C115 HydrophobicContact CE3-CB 3.9Å; W58-C115 HydrophobicContact CH2-CB 3.76Å; W58-C115 HydrophobicContact CZ2-CB 4.16Å; W58-C115 HydrophobicContact CZ3-CB 3.61Å |
| 59 | Q | 96.1 | Very high | 88.9 | Confident | 30 Ų | 30 | 63.6 Ų | 63.6 | 14% | 0.14 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 142.5 | 178 | -55.2 | -171.2 | -42.5 | 0 | 0 | 111.2 | T57 P66 Q67 N68 Y113 K114 L116 | T57-Q59 HydrophobicContact CG2-CG 4.24Å; Q59-P66 HydrophobicContact CB-CB 4.24Å; Q59-P66 VanDerWaalsContact OE1-CB 3.27Å; Q59-Q67 CarbonylContact C-O 3.55Å; Q59-Q67 WeakPolarHBondContact CA-O 3.29Å; Q59-N68 WeakPolarHBondContact CG-OD1 3.49Å; Q59-N68 PolarHBondContact NE2-OD1 3.46Å; Q59-Y113 CarbonylContact O-C 3.53Å; Q59-Y113 WeakPolarHBondContact O-CA 3.24Å; Q59-K114 HydrophobicContact CB-CB 4.24Å; Q59-K114 PolarHBondContact N-O 3.49Å; Q59-K114 PolarHBondContact O-N 3.41Å; Q59-L116 VanDerWaalsContact CD-CD1 3.49Å; Q59-L116 HydrophobicContact CG-CD1 4.12Å |
| 60 | K | 95.8 | Very high | 89.3 | Confident | 11 Ų | 11 | 61.9 Ų | 61.9 | 5% | 0.048 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 133.7 | 162.7 | -172.5 | -173.7 | -173.1 | -168.9 | 0 | 108.9 | Q67 I69 E108 A111 Y113 | K60-Q67 PolarHBondContact N-O 3.02Å; K60-Q67 PolarHBondContact O-N 3Å; K60-I69 HydrophobicContact CB-CD1 4.38Å; K60-I69 HydrophobicContact CB-CG2 3.84Å; K60-E108 WeakPolarHBondContact CE-O 3.5Å; K60-E108 PolarHBondContact NZ-O 2.75Å; K60-A111 HydrophobicContact CD-CB 4.22Å; K60-A111 HydrophobicContact CG-CB 3.67Å; K60-Y113 HydrophobicContact CB-CD1 4.16Å; K60-Y113 HydrophobicContact CB-CE1 3.9Å; K60-Y113 HydrophobicContact CD-CE1 4.39Å; K60-Y113 HydrophobicContact CG-CD1 4.37Å; K60-Y113 HydrophobicContact CG-CE1 3.82Å |
| 61 | I | 93.4 | Very high | 90 | Very high | 36 Ų | 36 | 54.5 Ų | 54.5 | 19% | 0.185 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 110.2 | 172.4 | -52.5 | 172.9 | 0 | 0 | 0 | 107.5 | C112 K114 Q128 | I61-C112 WeakPolarHBondContact CA-O 3.38Å; I61-C112 HydrophobicContact CB-CB 4.35Å; I61-C112 VanDerWaalsContact CB-O 3.28Å; I61-C112 WeakPolarHBondContact CB-O 3.49Å; I61-C112 HydrophobicContact CD1-CB 4.13Å; I61-C112 WeakPolarHBondContact CG1-O 3.45Å; I61-C112 PolarHBondContact N-O 2.78Å; I61-K114 HydrophobicContact CD1-CD 3.86Å; I61-K114 HydrophobicContact CD1-CG 3.98Å; I61-K114 HydrophobicContact CG1-CD 4.5Å; I61-Q128 HydrophobicContact CD1-CG 4.22Å |
| 62 | Q | 79.2 | Confident | 90.4 | Very high | 109 Ų | 109 | 55.3 Ų | 55.3 | 51% | 0.509 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 107 | 176 | -168 | 165.6 | 5.8 | 0 | 0 | 107.7 | ||
| 63 | G | 76.1 | Confident | 90.6 | Very high | 71 Ų | 71 | 49.4 Ų | 49.4 | 73% | 0.732 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | -139.8 | -168.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 64 | S | 73.9 | Confident | 90.5 | Very high | 126 Ų | 126 | 54.2 Ų | 54.2 | 88% | 0.881 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -15 | -171.1 | 52.9 | 0 | 0 | 0 | 0 | 115.6 | ||
| 65 | L | 83.1 | Confident | 90.4 | Very high | 137 Ų | 137 | 56.3 Ų | 56.3 | 72% | 0.717 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 123.8 | -174.3 | -163.3 | 73.2 | 0 | 0 | 0 | 111.6 | Q67 | L65-Q67 PolarHBondContact O-N 3.34Å |
| 66 | P | 90.9 | Very high | 90.3 | Very high | 51 Ų | 51 | 61.5 Ų | 61.5 | 33% | 0.331 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 129.7 | 170.5 | -18.9 | 32.3 | 0 | 0 | 0 | 111.7 | Q59 | Q59-P66 HydrophobicContact CB-CB 4.24Å; Q59-P66 VanDerWaalsContact OE1-CB 3.27Å |
| 67 | Q | 94.2 | Very high | 90.1 | Very high | 94 Ų | 94 | 62.6 Ų | 62.6 | 44% | 0.439 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 124.9 | 174.9 | -175.4 | -177.6 | 16.3 | 0 | 0 | 109.8 | Q59 K60 L65 I69 | Q59-Q67 CarbonylContact C-O 3.55Å; Q59-Q67 WeakPolarHBondContact CA-O 3.29Å; K60-Q67 PolarHBondContact N-O 3.02Å; K60-Q67 PolarHBondContact O-N 3Å; L65-Q67 PolarHBondContact O-N 3.34Å; Q67-I69 PolarHBondContact O-N 3.28Å |
| 68 | N | 95.1 | Very high | 90 | Very high | 73 Ų | 73 | 66.4 Ų | 66.4 | 39% | 0.39 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 130.7 | 170.2 | -66 | -12.2 | 0 | 0 | 0 | 109.8 | T57 Q59 L81 | T57-N68 HydrophobicContact CG2-CB 4.5Å; Q59-N68 WeakPolarHBondContact CG-OD1 3.49Å; Q59-N68 PolarHBondContact NE2-OD1 3.46Å; N68-L81 HydrophobicContact CB-CD1 3.93Å; N68-L81 WeakPolarHBondContact O-CD1 3.37Å |
| 69 | I | 95.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | -23.2 | 180 | 58.4 | 175.9 | 0 | 0 | 0 | 113 | W58 K60 Q67 L81 Y84 L88 M100 Y113 | W58-I69 HydrophobicContact CB-CD1 4.39Å; W58-I69 HydrophobicContact CB-CG1 3.92Å; W58-I69 WeakPolarHBondContact O-CG1 3.4Å; W58-I69 PolarHBondContact O-N 3.23Å; K60-I69 HydrophobicContact CB-CD1 4.38Å; K60-I69 HydrophobicContact CB-CG2 3.84Å; Q67-I69 PolarHBondContact O-N 3.28Å; I69-L81 PolarHBondContact O-N 3.45Å; I69-Y84 HydrophobicContact CB-CD2 3.76Å; I69-Y84 HydrophobicContact CB-CE2 4.17Å; I69-Y84 HydrophobicContact CB-CG 4.44Å; I69-Y84 HydrophobicContact CG2-CD2 3.63Å; I69-Y84 HydrophobicContact CG2-CE2 3.59Å; I69-L88 HydrophobicContact CB-CD1 4.29Å; I69-L88 HydrophobicContact CD1-CD1 3.8Å; I69-L88 HydrophobicContact CG1-CD1 4.03Å; I69-M100 HydrophobicContact CD1-CE 4.35Å; I69-M100 HydrophobicContact CD1-SD 3.63Å; I69-M100 HydrophobicContact CG1-SD 4.4Å; I69-Y113 HydrophobicContact CD1-CD1 3.63Å; I69-Y113 HydrophobicContact CD1-CE1 3.67Å |
| 70 | G | 95.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.7 | 157.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | W58 K79 | W58-G70 PolarHBondContact N-O 2.95Å; W58-G70 PolarHBondContact O-N 3.07Å; G70-K79 CarbonylContact C-O 3.5Å; G70-K79 VanDerWaalsContact CA-O 3.3Å; G70-K79 WeakPolarHBondContact CA-O 3.17Å |
| 71 | T | 94.4 | Very high | 89.9 | Confident | 23 Ų | 23 | 75 Ų | 75 | 14% | 0.141 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 148.2 | 174.3 | 55.1 | 0 | 0 | 0 | 0 | 110.1 | I56 T57 K79 | I56-T71 CarbonylContact O-C 3.58Å; I56-T71 VanDerWaalsContact O-CA 3.24Å; I56-T71 WeakPolarHBondContact O-CA 3.48Å; T57-T71 HydrophobicContact CG2-CG2 3.95Å; T71-K79 PolarHBondContact N-O 2.85Å; T71-K79 PolarHBondContact O-N 3.29Å |
| 72 | Y | 92.3 | Very high | 89.9 | Confident | 50 Ų | 50 | 77.8 Ų | 77.8 | 20% | 0.196 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 138.2 | 165.4 | 176.8 | -75.4 | 0 | 0 | 0 | 110.7 | Q55 I56 G77 E78 I92 Y98 | Q55-Y72 CarbonylContact C-O 3.54Å; Q55-Y72 WeakPolarHBondContact CA-O 3.48Å; Q55-Y72 VanDerWaalsContact CG-O 3.25Å; Q55-Y72 WeakPolarHBondContact CG-O 3.5Å; I56-Y72 PolarHBondContact N-O 2.92Å; I56-Y72 PolarHBondContact O-N 3.46Å; Y72-G77 WeakPolarHBondContact CA-O 3.31Å; Y72-E78 HydrophobicContact CD2-CB 4.28Å; Y72-I92 HydrophobicContact CD1-CD1 3.42Å; Y72-I92 VanDerWaalsContact CD1-CD1 3.42Å; Y72-I92 HydrophobicContact CD2-CD1 4.08Å; Y72-I92 HydrophobicContact CE1-CD1 3.1Å; Y72-I92 HydrophobicContact CE1-CG1 4.5Å; Y72-I92 HydrophobicContact CE2-CD1 3.78Å; Y72-I92 HydrophobicContact CG-CD1 3.92Å; Y72-Y98 HydrophobicContact CD1-CE1 4.17Å |
| 73 | S | 90.4 | Very high | 90.5 | Very high | 8 Ų | 8 | 76.9 Ų | 76.9 | 6% | 0.056 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 153 | 164.3 | 63.4 | 0 | 0 | 0 | 0 | 110.6 | E54 K75 Y76 G77 | E54-S73 VanDerWaalsContact O-CB 3.23Å; E54-S73 WeakPolarHBondContact O-CB 3.46Å; S73-K75 PolarHBondContact O-N 3.4Å; S73-Y76 PolarHBondContact O-N 2.95Å; S73-Y76 WeakPolarHBondContact OG-CB 3.18Å; S73-Y76 WeakPolarHBondContact OG-CD2 3.46Å; S73-Y76 PolarHBondContact OG-N 3.29Å; S73-Y76 VanDerWaalsContact OG-N 3.11Å; S73-G77 PolarHBondContact N-O 3.07Å; S73-G77 VanDerWaalsContact N-O 3.11Å; S73-G77 VanDerWaalsContact O-CA 3.31Å; S73-G77 WeakPolarHBondContact O-CA 3.14Å; S73-G77 PolarHBondContact O-N 3.25Å |
| 74 | H | 86.1 | Confident | 91.3 | Very high | 125 Ų | 125 | 73.7 Ų | 73.7 | 58% | 0.579 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -28.3 | 175.7 | -75.8 | -72.2 | 0 | 0 | 0 | 113.2 | ||
| 75 | K | 89.3 | Confident | 92.3 | Very high | 163 Ų | 163 | 71 Ų | 71 | 71% | 0.709 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -37.3 | -177.2 | -172.9 | 177.8 | 178.1 | -166.3 | 0 | 113.9 | S73 | S73-K75 PolarHBondContact O-N 3.4Š|
| 76 | Y | 90.5 | Very high | 92.7 | Very high | 172 Ų | 172 | 71.8 Ų | 71.8 | 68% | 0.675 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.4 | -2.9 | -173.7 | -52.4 | -65.2 | 0 | 0 | 0 | 113.8 | S73 | S73-Y76 PolarHBondContact O-N 2.95Å; S73-Y76 WeakPolarHBondContact OG-CB 3.18Å; S73-Y76 WeakPolarHBondContact OG-CD2 3.46Å; S73-Y76 PolarHBondContact OG-N 3.29Å; S73-Y76 VanDerWaalsContact OG-N 3.11Å |
| 77 | G | 89.9 | Confident | 92.9 | Very high | 25 Ų | 25 | 72.5 Ų | 72.5 | 26% | 0.258 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 69.8 | -154.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y72 S73 | Y72-G77 WeakPolarHBondContact CA-O 3.31Å; S73-G77 PolarHBondContact N-O 3.07Å; S73-G77 VanDerWaalsContact N-O 3.11Å; S73-G77 VanDerWaalsContact O-CA 3.31Å; S73-G77 WeakPolarHBondContact O-CA 3.14Å; S73-G77 PolarHBondContact O-N 3.25Å |
| 78 | E | 92.3 | Very high | 92.9 | Very high | 90 Ų | 90 | 68.2 Ų | 68.2 | 42% | 0.421 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 140.3 | 175.6 | 177.6 | -179 | -130.4 | 0 | 0 | 111.7 | Y72 I80 Q89 C90 | Y72-E78 HydrophobicContact CD2-CB 4.28Å; E78-I80 HydrophobicContact CG-CD1 3.57Å; E78-I80 HydrophobicContact CG-CG1 3.77Å; E78-I80 WeakPolarHBondContact OE1-CD1 3.33Å; E78-Q89 WeakPolarHBondContact OE1-CA 3.46Å; E78-C90 HydrophobicContact CG-CB 4.28Å; E78-C90 WeakPolarHBondContact OE1-CB 3.38Å; E78-C90 PolarHBondContact OE1-N 2.97Å |
| 79 | K | 94.3 | Very high | 92.7 | Very high | 134 Ų | 134 | 68.2 Ų | 68.2 | 58% | 0.583 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 112.4 | 168.4 | 177.6 | -178.7 | -179.3 | 179 | 0 | 109.8 | G70 T71 | G70-K79 CarbonylContact C-O 3.5Å; G70-K79 VanDerWaalsContact CA-O 3.3Å; G70-K79 WeakPolarHBondContact CA-O 3.17Å; T71-K79 PolarHBondContact N-O 2.85Å; T71-K79 PolarHBondContact O-N 3.29Å |
| 80 | I | 95.9 | Very high | 92.4 | Very high | 33 Ų | 33 | 69 Ų | 69 | 17% | 0.169 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 142.8 | 179.2 | -54.9 | -44.6 | 0 | 0 | 0 | 110.5 | E78 Y84 L88 | E78-I80 HydrophobicContact CG-CD1 3.57Å; E78-I80 HydrophobicContact CG-CG1 3.77Å; E78-I80 WeakPolarHBondContact OE1-CD1 3.33Å; I80-Y84 WeakPolarHBondContact CG2-O 3.47Å; I80-L88 HydrophobicContact CD1-CD2 3.54Å; I80-L88 HydrophobicContact CG1-CD2 4.28Å; I80-L88 HydrophobicContact CG2-CB 4.12Å |
| 81 | L | 95.1 | Very high | 91.8 | Very high | 56 Ų | 56 | 74.1 Ų | 74.1 | 29% | 0.293 | 37% | 0.368 | S | S | . | . | trans | -107.8 | 149.4 | -177.2 | -60.4 | 175.4 | 0 | 0 | 0 | 111.2 | N68 I69 Y84 | N68-L81 HydrophobicContact CB-CD1 3.93Å; N68-L81 WeakPolarHBondContact O-CD1 3.37Å; I69-L81 PolarHBondContact O-N 3.45Å; L81-Y84 WeakPolarHBondContact O-CB 3.44Å; L81-Y84 PolarHBondContact O-N 2.89Å | ||
| 82 | P | 93.5 | Very high | 91.2 | Very high | 93 Ų | 93 | 75.6 Ų | 75.6 | 60% | 0.604 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 145.2 | 172.4 | -24.7 | 34.9 | 0 | 0 | 0 | 112.2 | V85 | P82-V85 HydrophobicContact CG-CG2 4.13Š|
| 83 | P | 92.3 | Very high | 90.4 | Very high | 90 Ų | 90 | 79.6 Ų | 79.6 | 58% | 0.584 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -87.6 | 11.3 | 4 | 36.7 | -37.5 | 0 | 0 | 0 | 114.4 | V85 | P83-V85 PolarHBondContact O-N 3.11Š|
| 84 | Y | 94 | Very high | 89.5 | Confident | 4 Ų | 4 | 84.5 Ų | 84.5 | 2% | 0.016 | 42% | 0.42 | C | S | . | . | trans | -86.2 | -3.1 | -170.5 | -72.6 | -77.9 | 0 | 0 | 0 | 115.3 | I69 I80 L81 N86 R87 L88 I102 D109 | I69-Y84 HydrophobicContact CB-CD2 3.76Å; I69-Y84 HydrophobicContact CB-CE2 4.17Å; I69-Y84 HydrophobicContact CB-CG 4.44Å; I69-Y84 HydrophobicContact CG2-CD2 3.63Å; I69-Y84 HydrophobicContact CG2-CE2 3.59Å; I80-Y84 WeakPolarHBondContact CG2-O 3.47Å; L81-Y84 WeakPolarHBondContact O-CB 3.44Å; L81-Y84 PolarHBondContact O-N 2.89Å; Y84-N86 PolarHBondContact O-N 2.74Å; Y84-R87 PolarHBondContact O-N 2.97Å; Y84-L88 HydrophobicContact CD1-CB 4.19Å; Y84-L88 HydrophobicContact CD1-CD1 3.94Å; Y84-L88 HydrophobicContact CG-CB 4.35Å; Y84-L88 HydrophobicContact CG-CD1 3.86Å; Y84-L88 PolarHBondContact O-N 2.84Å; Y84-I102 HydrophobicContact CE1-CD1 4.36Å; Y84-I102 HydrophobicContact CE1-CG2 4.42Å; Y84-D109 WeakPolarHBondContact CE1-OD1 3.33Å; Y84-D109 PolarHBondContact OH-OD1 3.24Å | ||
| 85 | V | 93.5 | Very high | 88.8 | Confident | 69 Ų | 69 | 83.6 Ų | 83.6 | 42% | 0.418 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 132.9 | 175.8 | -176.9 | 0 | 0 | 0 | 0 | 110 | P82 P83 R87 | P82-V85 HydrophobicContact CG-CG2 4.13Å; P83-V85 PolarHBondContact O-N 3.11Å; V85-R87 PolarHBondContact O-N 2.76Å; V85-R87 VanDerWaalsContact O-N 3.11Å |
| 86 | N | 91.9 | Very high | 88.1 | Confident | 155 Ų | 155 | 77.5 Ų | 77.5 | 83% | 0.829 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | -5.5 | -174 | -49.7 | -35.4 | 0 | 0 | 0 | 116.7 | Y84 | Y84-N86 PolarHBondContact O-N 2.74Š|
| 87 | R | 94.6 | Very high | 87.9 | Confident | 65 Ų | 65 | 69.5 Ų | 69.5 | 25% | 0.245 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | -28.8 | 177.6 | -68.4 | -178.4 | 65 | -134.9 | 1 | 113.8 | Y84 V85 Q103 G104 D109 | Y84-R87 PolarHBondContact O-N 2.97Å; V85-R87 PolarHBondContact O-N 2.76Å; V85-R87 VanDerWaalsContact O-N 3.11Å; R87-Q103 PolarHBondContact NE-O 2.78Å; R87-Q103 PolarHBondContact NH2-O 2.9Å; R87-Q103 WeakPolarHBondContact O-CB 3.5Å; R87-Q103 PolarHBondContact O-N 3.16Å; R87-G104 PolarHBondContact NH2-O 3.1Å; R87-D109 IonicContact CZ-OD2 3.4Å; R87-D109 IonicContact NH1-OD1 2.73Å; R87-D109 PolarHBondContact NH1-OD1 2.92Å; R87-D109 IonicContact NH1-OD2 2.7Å; R87-D109 IonicContact NH2-OD1 2.75Å; R87-D109 IonicContact NH2-OD2 2.67Å; R87-D109 PolarHBondContact NH2-OD2 2.9Å |
| 88 | L | 93.6 | Very high | 87.9 | Confident | 5 Ų | 5 | 68.6 Ų | 68.6 | 3% | 0.026 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 138.5 | -177.4 | -171 | 168.4 | 0 | 0 | 0 | 110.2 | I69 I80 Y84 M100 T101 I102 | I69-L88 HydrophobicContact CB-CD1 4.29Å; I69-L88 HydrophobicContact CD1-CD1 3.8Å; I69-L88 HydrophobicContact CG1-CD1 4.03Å; I80-L88 HydrophobicContact CD1-CD2 3.54Å; I80-L88 HydrophobicContact CG1-CD2 4.28Å; I80-L88 HydrophobicContact CG2-CB 4.12Å; Y84-L88 HydrophobicContact CD1-CB 4.19Å; Y84-L88 HydrophobicContact CD1-CD1 3.94Å; Y84-L88 HydrophobicContact CG-CB 4.35Å; Y84-L88 HydrophobicContact CG-CD1 3.86Å; Y84-L88 PolarHBondContact O-N 2.84Å; L88-M100 HydrophobicContact CD1-CG 4.01Å; L88-M100 HydrophobicContact CD1-SD 3.71Å; L88-M100 HydrophobicContact CD2-CG 3.7Å; L88-M100 HydrophobicContact CD2-SD 4.35Å; L88-M100 HydrophobicContact CG-CG 3.72Å; L88-M100 HydrophobicContact CG-SD 4.13Å; L88-T101 CarbonylContact C-O 3.57Å; L88-T101 VanDerWaalsContact CA-O 3.28Å; L88-T101 WeakPolarHBondContact CA-O 3.46Å; L88-I102 HydrophobicContact CG-CG1 4.45Å |
| 89 | Q | 92.3 | Very high | 87.9 | Confident | 72 Ų | 72 | 66.5 Ų | 66.5 | 34% | 0.336 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 129.2 | 174.8 | -64.7 | -177.7 | -16.6 | 0 | 0 | 110.8 | E78 K91 M100 T101 Q103 | E78-Q89 WeakPolarHBondContact OE1-CA 3.46Å; Q89-K91 VanDerWaalsContact OE1-CE 3.31Å; Q89-M100 CarbonylContact O-C 3.56Å; Q89-M100 WeakPolarHBondContact O-CA 3.25Å; Q89-T101 PolarHBondContact N-O 2.81Å; Q89-T101 PolarHBondContact O-N 3.08Å; Q89-Q103 VanDerWaalsContact CD-NE2 3.34Å |
| 90 | C | 88.8 | Confident | 88 | Confident | 18 Ų | 18 | 60.1 Ų | 60.1 | 12% | 0.122 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 118.3 | 171 | -68 | 0 | 0 | 0 | 0 | 109.6 | W58 E78 F99 | W58-C90 VanDerWaalsContact CD1-SG 3.6Å; E78-C90 HydrophobicContact CG-CB 4.28Å; E78-C90 WeakPolarHBondContact OE1-CB 3.38Å; E78-C90 PolarHBondContact OE1-N 2.97Å; C90-F99 CarbonylContact C-O 3.54Å; C90-F99 WeakPolarHBondContact CA-O 3.25Å |
| 91 | K | 82.8 | Confident | 88 | Confident | 106 Ų | 106 | 59.1 Ų | 59.1 | 46% | 0.461 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 151.4 | 178.6 | -68.4 | 178.5 | -177.5 | 169.4 | 0 | 111 | Q89 Y98 F99 | Q89-K91 VanDerWaalsContact OE1-CE 3.31Å; K91-Y98 WeakPolarHBondContact O-CA 3.35Å; K91-F99 HydrophobicContact CB-CB 4.39Å; K91-F99 PolarHBondContact N-O 3.09Å; K91-F99 PolarHBondContact O-N 3.44Å |
| 92 | I | 82.7 | Confident | 88.1 | Confident | 55 Ų | 55 | 56.5 Ų | 56.5 | 28% | 0.282 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 127.1 | 180 | -55.3 | -179.7 | 0 | 0 | 0 | 107 | Y72 E94 Y98 | Y72-I92 HydrophobicContact CD1-CD1 3.42Å; Y72-I92 VanDerWaalsContact CD1-CD1 3.42Å; Y72-I92 HydrophobicContact CD2-CD1 4.08Å; Y72-I92 HydrophobicContact CE1-CD1 3.1Å; Y72-I92 HydrophobicContact CE1-CG1 4.5Å; Y72-I92 HydrophobicContact CE2-CD1 3.78Å; Y72-I92 HydrophobicContact CG-CD1 3.92Å; I92-E94 WeakPolarHBondContact CG2-O 3.43Å; I92-Y98 HydrophobicContact CD1-CD1 3.85Å; I92-Y98 HydrophobicContact CD1-CE1 3.43Å; I92-Y98 VanDerWaalsContact CD1-CE1 3.43Å; I92-Y98 HydrophobicContact CG1-CD1 3.62Å; I92-Y98 HydrophobicContact CG1-CE1 3.72Å; I92-Y98 HydrophobicContact CG2-CE1 4.41Å |
| 93 | L | 73.8 | Confident | 88.2 | Confident | 133 Ų | 133 | 55.1 Ų | 55.1 | 70% | 0.696 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105 | -35.4 | 175.9 | -89.2 | 155.3 | 0 | 0 | 0 | 111 | A97 F99 | L93-A97 PolarHBondContact N-O 3.33Å; L93-A97 VanDerWaalsContact N-O 3.11Å; L93-F99 HydrophobicContact CB-CE2 4.08Å; L93-F99 HydrophobicContact CD1-CD2 3.83Å; L93-F99 HydrophobicContact CD1-CE1 4.48Å; L93-F99 HydrophobicContact CD1-CE2 3.36Å; L93-F99 HydrophobicContact CD1-CZ 3.71Å; L93-F99 HydrophobicContact CG-CE2 4.23Å |
| 94 | E | 71.3 | Confident | 88.4 | Confident | 111 Ų | 111 | 52.2 Ų | 52.2 | 52% | 0.519 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 160.5 | 177.1 | -57.9 | 175.6 | 161.1 | 0 | 0 | 108.6 | I92 S96 A97 | I92-E94 WeakPolarHBondContact CG2-O 3.43Å; E94-S96 PolarHBondContact O-N 3.47Å; E94-A97 HydrophobicContact CB-CB 3.87Å; E94-A97 HydrophobicContact CG-CB 4.36Å; E94-A97 PolarHBondContact O-N 2.86Å |
| 95 | P | 72.6 | Confident | 88.6 | Confident | 107 Ų | 107 | 52 Ų | 52 | 70% | 0.695 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -24.2 | 180 | -27.5 | 36 | 0 | 0 | 0 | 115 | Y98 | P95-Y98 WeakPolarHBondContact O-CE2 3.3Å; P95-Y98 PolarHBondContact O-OH 3.29Å |
| 96 | S | 74.8 | Confident | 88.7 | Confident | 34 Ų | 34 | 51.4 Ų | 51.4 | 24% | 0.238 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -17.7 | 175.8 | 47.4 | 0 | 0 | 0 | 0 | 114.4 | N46 F47 E94 | N46-S96 CarbonylContact C-O 3.57Å; N46-S96 VanDerWaalsContact CA-O 3.23Å; N46-S96 WeakPolarHBondContact CA-O 3.39Å; F47-S96 PolarHBondContact N-O 2.69Å; F47-S96 WeakPolarHBondContact O-CB 3.29Å; E94-S96 PolarHBondContact O-N 3.47Å |
| 97 | A | 86.2 | Confident | 88.9 | Confident | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.033 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 108.9 | -165.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F44 N46 L93 E94 F99 | F44-A97 HydrophobicContact CE2-CB 4.22Å; N46-A97 HydrophobicContact CB-CB 4.36Å; L93-A97 PolarHBondContact N-O 3.33Å; L93-A97 VanDerWaalsContact N-O 3.11Å; E94-A97 HydrophobicContact CB-CB 3.87Å; E94-A97 HydrophobicContact CG-CB 4.36Å; E94-A97 PolarHBondContact O-N 2.86Å; A97-F99 HydrophobicContact CB-CE2 4.4Å |
| 98 | Y | 90.6 | Very high | 88.9 | Confident | 6 Ų | 6 | 48.8 Ų | 48.8 | 2% | 0.024 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 144.5 | -172.4 | -62.5 | -106.5 | 0 | 0 | 0 | 111.4 | C45 I56 Y72 K91 I92 P95 F117 | C45-Y98 PolarHBondContact N-O 3.41Å; C45-Y98 PolarHBondContact O-N 2.88Å; C45-Y98 VanDerWaalsContact O-O 3.06Å; I56-Y98 HydrophobicContact CB-CD1 4.22Å; I56-Y98 HydrophobicContact CB-CE1 4.45Å; I56-Y98 VanDerWaalsContact CD1-CB 3.46Å; I56-Y98 HydrophobicContact CD1-CD1 4.12Å; I56-Y98 HydrophobicContact CD1-CD2 4.29Å; I56-Y98 HydrophobicContact CD1-CG 3.71Å; I56-Y98 HydrophobicContact CG2-CD1 3.54Å; I56-Y98 HydrophobicContact CG2-CE1 3.87Å; I56-Y98 HydrophobicContact CG2-CG 4.24Å; Y72-Y98 HydrophobicContact CD1-CE1 4.17Å; K91-Y98 WeakPolarHBondContact O-CA 3.35Å; I92-Y98 HydrophobicContact CD1-CD1 3.85Å; I92-Y98 HydrophobicContact CD1-CE1 3.43Å; I92-Y98 VanDerWaalsContact CD1-CE1 3.43Å; I92-Y98 HydrophobicContact CG1-CD1 3.62Å; I92-Y98 HydrophobicContact CG1-CE1 3.72Å; I92-Y98 HydrophobicContact CG2-CE1 4.41Å; P95-Y98 WeakPolarHBondContact O-CE2 3.3Å; P95-Y98 PolarHBondContact O-OH 3.29Å; Y98-F117 HydrophobicContact CD2-CD1 4.49Å; Y98-F117 AromaticContact CD2-CE1 3.44Å; Y98-F117 HydrophobicContact CD2-CE1 3.44Å; Y98-F117 VanDerWaalsContact CD2-CE1 3.44Å; Y98-F117 HydrophobicContact CD2-CZ 4Å; Y98-F117 HydrophobicContact CE2-CD1 4.43Å; Y98-F117 AromaticContact CE2-CE1 3.7Å; Y98-F117 HydrophobicContact CE2-CE1 3.7Å; Y98-F117 HydrophobicContact CG-CE1 4.29Å |
| 99 | F | 92.4 | Very high | 89 | Confident | 46 Ų | 46 | 48.6 Ų | 48.6 | 20% | 0.202 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 138.8 | -175.6 | -65.8 | -104.4 | 0 | 0 | 0 | 110 | I43 F44 C90 K91 L93 A97 | I43-F99 CarbonylContact O-C 3.55Å; I43-F99 WeakPolarHBondContact O-CA 3.41Å; F44-F99 HydrophobicContact CB-CD1 3.9Å; F44-F99 HydrophobicContact CB-CE1 3.72Å; F44-F99 HydrophobicContact CB-CZ 4.39Å; F44-F99 HydrophobicContact CD2-CD1 4Å; F44-F99 HydrophobicContact CD2-CD2 4.18Å; F44-F99 AromaticContact CD2-CE1 3.41Å; F44-F99 HydrophobicContact CD2-CE1 3.41Å; F44-F99 VanDerWaalsContact CD2-CE1 3.41Å; F44-F99 AromaticContact CD2-CE2 3.57Å; F44-F99 HydrophobicContact CD2-CE2 3.57Å; F44-F99 HydrophobicContact CD2-CG 4.37Å; F44-F99 AromaticContact CD2-CZ 3.17Å; F44-F99 HydrophobicContact CD2-CZ 3.17Å; F44-F99 HydrophobicContact CE2-CE1 4.28Å; F44-F99 AromaticContact CE2-CE2 3.87Å; F44-F99 HydrophobicContact CE2-CE2 3.87Å; F44-F99 AromaticContact CE2-CZ 3.61Å; F44-F99 HydrophobicContact CE2-CZ 3.61Å; F44-F99 HydrophobicContact CG-CD1 4.41Å; F44-F99 AromaticContact CG-CE1 3.87Å; F44-F99 HydrophobicContact CG-CE1 3.87Å; F44-F99 HydrophobicContact CG-CZ 4.05Å; C90-F99 CarbonylContact C-O 3.54Å; C90-F99 WeakPolarHBondContact CA-O 3.25Å; K91-F99 HydrophobicContact CB-CB 4.39Å; K91-F99 PolarHBondContact N-O 3.09Å; K91-F99 PolarHBondContact O-N 3.44Å; L93-F99 HydrophobicContact CB-CE2 4.08Å; L93-F99 HydrophobicContact CD1-CD2 3.83Å; L93-F99 HydrophobicContact CD1-CE1 4.48Å; L93-F99 HydrophobicContact CD1-CE2 3.36Å; L93-F99 HydrophobicContact CD1-CZ 3.71Å; L93-F99 HydrophobicContact CG-CE2 4.23Å; A97-F99 HydrophobicContact CB-CE2 4.4Å |
| 100 | M | 94.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 109.3 | 169.4 | 177.6 | -174.3 | 68 | 0 | 0 | 109 | S42 I43 W58 I69 L88 Q89 I102 Y113 | S42-M100 CarbonylContact C-O 3.59Å; S42-M100 WeakPolarHBondContact CA-O 3.43Å; I43-M100 HydrophobicContact CB-CE 4.14Å; I43-M100 HydrophobicContact CD1-CE 3.78Å; I43-M100 HydrophobicContact CG1-CE 4.26Å; I43-M100 PolarHBondContact N-O 3.04Å; I43-M100 PolarHBondContact O-N 3.5Å; W58-M100 HydrophobicContact CB-SD 3.83Å; W58-M100 HydrophobicContact CD2-CB 3.64Å; W58-M100 HydrophobicContact CD2-CE 4.45Å; W58-M100 HydrophobicContact CD2-CG 4.2Å; W58-M100 HydrophobicContact CD2-SD 3.78Å; W58-M100 HydrophobicContact CE3-CB 3.82Å; W58-M100 HydrophobicContact CE3-CE 3.8Å; W58-M100 HydrophobicContact CE3-CG 4.39Å; W58-M100 HydrophobicContact CE3-SD 3.72Å; W58-M100 HydrophobicContact CG-CB 4.24Å; W58-M100 HydrophobicContact CG-CG 4.39Å; W58-M100 HydrophobicContact CG-SD 3.83Å; W58-M100 HydrophobicContact CH2-CB 3.88Å; W58-M100 HydrophobicContact CZ2-CB 3.72Å; W58-M100 HydrophobicContact CZ3-CB 3.93Å; W58-M100 HydrophobicContact CZ3-CE 4.15Å; I69-M100 HydrophobicContact CD1-CE 4.35Å; I69-M100 HydrophobicContact CD1-SD 3.63Å; I69-M100 HydrophobicContact CG1-SD 4.4Å; L88-M100 HydrophobicContact CD1-CG 4.01Å; L88-M100 HydrophobicContact CD1-SD 3.71Å; L88-M100 HydrophobicContact CD2-CG 3.7Å; L88-M100 HydrophobicContact CD2-SD 4.35Å; L88-M100 HydrophobicContact CG-CG 3.72Å; L88-M100 HydrophobicContact CG-SD 4.13Å; Q89-M100 CarbonylContact O-C 3.56Å; Q89-M100 WeakPolarHBondContact O-CA 3.25Å; M100-I102 HydrophobicContact CE-CD1 4.07Å; M100-I102 HydrophobicContact CE-CG1 4.36Å; M100-Y113 HydrophobicContact CE-CD1 3.74Å; M100-Y113 HydrophobicContact CE-CE1 4.35Å; M100-Y113 HydrophobicContact CE-CG 3.97Å |
| 101 | T | 95.9 | Very high | 89.4 | Confident | 13 Ų | 13 | 48.4 Ų | 48.4 | 8% | 0.08 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 122 | 173 | -55.1 | 0 | 0 | 0 | 0 | 110.1 | I41 S42 L88 Q89 Q103 | I41-T101 CarbonylContact O-C 3.58Å; I41-T101 WeakPolarHBondContact O-CA 3.45Å; S42-T101 PolarHBondContact OG-OG1 2.92Å; L88-T101 CarbonylContact C-O 3.57Å; L88-T101 VanDerWaalsContact CA-O 3.28Å; L88-T101 WeakPolarHBondContact CA-O 3.46Å; Q89-T101 PolarHBondContact N-O 2.81Å; Q89-T101 PolarHBondContact O-N 3.08Å; T101-Q103 HydrophobicContact CG2-CG 4.38Å |
| 102 | I | 97.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 126.8 | 168 | -55.3 | 175.1 | 0 | 0 | 0 | 107.9 | N40 I41 Y84 L88 M100 V105 Y113 | N40-I102 WeakPolarHBondContact CA-O 3.47Å; I41-I102 HydrophobicContact CG2-CB 4.13Å; I41-I102 PolarHBondContact N-O 3.05Å; I41-I102 PolarHBondContact O-N 3.36Å; Y84-I102 HydrophobicContact CE1-CD1 4.36Å; Y84-I102 HydrophobicContact CE1-CG2 4.42Å; L88-I102 HydrophobicContact CG-CG1 4.45Å; M100-I102 HydrophobicContact CE-CD1 4.07Å; M100-I102 HydrophobicContact CE-CG1 4.36Å; I102-V105 HydrophobicContact CB-CG1 4.29Å; I102-V105 HydrophobicContact CG2-CG1 4.05Å; I102-Y113 HydrophobicContact CD1-CE1 4.01Å |
| 103 | Q | 96.9 | Very high | 90.7 | Very high | 65 Ų | 65 | 42.4 Ų | 42.4 | 30% | 0.304 | 23% | 0.232 | S | C | . | . | P | Polyproline II helix | trans | -99.4 | 141 | -179.9 | -59 | -176 | 15.4 | 0 | 0 | 112.2 | N40 R87 Q89 T101 | N40-Q103 WeakPolarHBondContact OD1-CA 3.49Å; R87-Q103 PolarHBondContact NE-O 2.78Å; R87-Q103 PolarHBondContact NH2-O 2.9Å; R87-Q103 WeakPolarHBondContact O-CB 3.5Å; R87-Q103 PolarHBondContact O-N 3.16Å; Q89-Q103 VanDerWaalsContact CD-NE2 3.34Å; T101-Q103 HydrophobicContact CG2-CG 4.38Å |
| 104 | G | 96.8 | Very high | 91.7 | Very high | 28 Ų | 28 | 39.2 Ų | 39.2 | 29% | 0.289 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 56 | 60.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G39 N40 R87 | G39-G104 CarbonylContact O-C 3.5Å; G39-G104 WeakPolarHBondContact O-CA 3.34Å; G39-G104 PolarHBondContact O-N 3.3Å; G39-G104 VanDerWaalsContact O-N 3.12Å; N40-G104 PolarHBondContact OD1-N 3.09Å; R87-G104 PolarHBondContact NH2-O 3.1Å |
| 105 | V | 97.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | trans | -61.9 | 141.9 | -174.7 | -61.7 | 0 | 0 | 0 | 0 | 112.1 | A35 V36 G38 G39 I41 I102 I133 | A35-V105 HydrophobicContact CB-CG1 4.41Å; A35-V105 HydrophobicContact CB-CG2 3.86Å; V36-V105 WeakPolarHBondContact O-CG2 3.32Å; G38-V105 PolarHBondContact N-O 3.33Å; G39-V105 PolarHBondContact O-N 3.42Å; I41-V105 HydrophobicContact CB-CG1 4.45Å; I41-V105 HydrophobicContact CG2-CG1 3.62Å; I102-V105 HydrophobicContact CB-CG1 4.29Å; I102-V105 HydrophobicContact CG2-CG1 4.05Å; V105-I133 HydrophobicContact CB-CD1 3.88Å; V105-I133 HydrophobicContact CG2-CD1 3.81Å | ||
| 106 | T | 96.4 | Very high | 93.9 | Very high | 56 Ų | 56 | 30.4 Ų | 30.4 | 34% | 0.344 | 16% | 0.163 | S | C | . | . | trans | -122 | 165.9 | 179.4 | 66.2 | 0 | 0 | 0 | 0 | 109.8 | E108 D109 I133 | T106-E108 PolarHBondContact O-N 3.17Å; T106-D109 PolarHBondContact N-OD2 3.49Å; T106-D109 WeakPolarHBondContact O-CB 3.5Å; T106-D109 PolarHBondContact O-N 3.22Å; T106-D109 PolarHBondContact OG1-OD2 3.37Å; T106-I133 WeakPolarHBondContact O-CG1 3.41Å | ||
| 107 | F | 96.1 | Very high | 94.8 | Very high | 41 Ų | 41 | 28.8 Ų | 28.8 | 18% | 0.18 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -59.2 | -26.3 | 175 | -64.2 | -69.4 | 0 | 0 | 0 | 113.5 | L37 D109 E110 I133 T135 K162 N188 T190 | L37-F107 HydrophobicContact CD1-CD2 3.91Å; L37-F107 HydrophobicContact CD1-CE1 4.47Å; L37-F107 HydrophobicContact CD1-CE2 3.81Å; L37-F107 HydrophobicContact CD1-CG 4.32Å; L37-F107 HydrophobicContact CD1-CZ 4.11Å; L37-F107 HydrophobicContact CD2-CE2 3.69Å; L37-F107 HydrophobicContact CD2-CZ 3.86Å; L37-F107 HydrophobicContact CG-CE2 4.39Å; F107-D109 PolarHBondContact O-N 2.87Å; F107-E110 WeakPolarHBondContact O-CB 3.33Å; F107-E110 PolarHBondContact O-N 3.37Å; F107-E110 VanDerWaalsContact O-N 3.12Å; F107-I133 HydrophobicContact CD1-CB 4.02Å; F107-I133 HydrophobicContact CD1-CG2 3.98Å; F107-I133 HydrophobicContact CE1-CB 4.33Å; F107-I133 HydrophobicContact CE1-CG2 3.99Å; F107-T135 HydrophobicContact CE1-CG2 4.45Å; F107-T135 HydrophobicContact CZ-CG2 3.93Å; F107-K162 HydrophobicContact CD1-CD 4.49Å; F107-K162 HydrophobicContact CE1-CD 3.96Å; F107-N188 HydrophobicContact CB-CB 4.03Å; F107-N188 HydrophobicContact CD1-CB 3.83Å; F107-N188 HydrophobicContact CD2-CB 3.64Å; F107-N188 WeakPolarHBondContact CD2-ND2 3.03Å; F107-N188 HydrophobicContact CE1-CB 4.12Å; F107-N188 HydrophobicContact CE2-CB 3.92Å; F107-N188 HydrophobicContact CG-CB 3.56Å; F107-N188 HydrophobicContact CZ-CB 4.15Å; F107-T190 HydrophobicContact CE1-CG2 4.21Å; F107-T190 HydrophobicContact CZ-CG2 3.78Å |
| 108 | E | 94 | Very high | 95.1 | Very high | 123 Ų | 123 | 30.9 Ų | 30.9 | 58% | 0.575 | 16% | 0.162 | S | C | * | . | G | 310 helix | trans | -67 | -20.4 | 172.9 | -65.1 | -57.9 | 143.9 | 0 | 0 | 113.1 | K60 T106 E110 | K60-E108 WeakPolarHBondContact CE-O 3.5Å; K60-E108 PolarHBondContact NZ-O 2.75Å; T106-E108 PolarHBondContact O-N 3.17Å; E108-E110 VanDerWaalsContact C-N 3.27Å |
| 109 | D | 95.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.011 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -83.4 | -2.3 | 175.4 | -54.1 | -63.1 | 0 | 0 | 0 | 112.2 | Y84 R87 T106 F107 A111 Y113 | Y84-D109 WeakPolarHBondContact CE1-OD1 3.33Å; Y84-D109 PolarHBondContact OH-OD1 3.24Å; R87-D109 IonicContact CZ-OD2 3.4Å; R87-D109 IonicContact NH1-OD1 2.73Å; R87-D109 PolarHBondContact NH1-OD1 2.92Å; R87-D109 IonicContact NH1-OD2 2.7Å; R87-D109 IonicContact NH2-OD1 2.75Å; R87-D109 IonicContact NH2-OD2 2.67Å; R87-D109 PolarHBondContact NH2-OD2 2.9Å; T106-D109 PolarHBondContact N-OD2 3.49Å; T106-D109 WeakPolarHBondContact O-CB 3.5Å; T106-D109 PolarHBondContact O-N 3.22Å; T106-D109 PolarHBondContact OG1-OD2 3.37Å; F107-D109 PolarHBondContact O-N 2.87Å; D109-A111 PolarHBondContact O-N 2.85Å; D109-A111 VanDerWaalsContact O-N 3.12Å; D109-Y113 WeakPolarHBondContact CA-OH 3.3Å; D109-Y113 WeakPolarHBondContact O-CE2 3.36Å; D109-Y113 PolarHBondContact O-OH 2.83Å |
| 110 | E | 95.3 | Very high | 94.8 | Very high | 72 Ų | 72 | 36.8 Ų | 36.8 | 34% | 0.336 | 19% | 0.189 | S | C | . | . | trans | -69.5 | 101.1 | 171.9 | -172.5 | 149 | 136.1 | 0 | 0 | 110.8 | F107 E108 I133 K162 | F107-E110 WeakPolarHBondContact O-CB 3.33Å; F107-E110 PolarHBondContact O-N 3.37Å; F107-E110 VanDerWaalsContact O-N 3.12Å; E108-E110 VanDerWaalsContact C-N 3.27Å; E110-I133 HydrophobicContact CB-CG1 4.16Å; E110-I133 PolarHBondContact OE2-N 3.41Å; E110-K162 IonicContact OE1-NZ 3.62Å; E110-K162 PolarHBondContact OE1-NZ 2.91Å; E110-K162 IonicContact OE2-NZ 2.81Å; E110-K162 PolarHBondContact OE2-NZ 2.84Å | ||
| 111 | A | 95.6 | Very high | 94.6 | Very high | 13 Ų | 13 | 41.1 Ų | 41.1 | 11% | 0.107 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -162.5 | 169.1 | -176 | 0 | 0 | 0 | 0 | 0 | 111.4 | K60 D109 Y113 L131 | K60-A111 HydrophobicContact CD-CB 4.22Å; K60-A111 HydrophobicContact CG-CB 3.67Å; D109-A111 PolarHBondContact O-N 2.85Å; D109-A111 VanDerWaalsContact O-N 3.12Å; A111-Y113 HydrophobicContact CB-CE2 3.95Å; A111-Y113 WeakPolarHBondContact O-CD2 3.41Å; A111-Y113 WeakPolarHBondContact O-CE2 3.5Å; A111-L131 PolarHBondContact N-O 3.49Å; A111-L131 PolarHBondContact O-N 3Å |
| 112 | C | 95.8 | Very high | 94.1 | Very high | 34 Ų | 34 | 46 Ų | 46 | 23% | 0.23 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 131.2 | 162.7 | -59.9 | 0 | 0 | 0 | 0 | 110.2 | I61 Q128 C130 | I61-C112 WeakPolarHBondContact CA-O 3.38Å; I61-C112 HydrophobicContact CB-CB 4.35Å; I61-C112 VanDerWaalsContact CB-O 3.28Å; I61-C112 WeakPolarHBondContact CB-O 3.49Å; I61-C112 HydrophobicContact CD1-CB 4.13Å; I61-C112 WeakPolarHBondContact CG1-O 3.45Å; I61-C112 PolarHBondContact N-O 2.78Å; C112-Q128 HydrophobicContact CB-CG 4.09Å; C112-C130 HydrophobicContact CB-CB 4.13Å; C112-C130 WeakPolarHBondContact CB-SG 3.41Å; C112-C130 WeakPolarHBondContact SG-CB 3.42Å; C112-C130 CovalentContact SG-SG 2.05Å; C112-C130 PolarHBondContact SG-SG 2.83Å |
| 113 | Y | 96.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 136.2 | 179.6 | -66.2 | -89.6 | 0 | 0 | 0 | 109.6 | I43 Q59 K60 I69 M100 I102 D109 A111 Q128 T129 L131 | I43-Y113 HydrophobicContact CD1-CD2 3.65Å; I43-Y113 HydrophobicContact CD1-CE2 4.4Å; I43-Y113 HydrophobicContact CD1-CG 3.89Å; Q59-Y113 CarbonylContact O-C 3.53Å; Q59-Y113 WeakPolarHBondContact O-CA 3.24Å; K60-Y113 HydrophobicContact CB-CD1 4.16Å; K60-Y113 HydrophobicContact CB-CE1 3.9Å; K60-Y113 HydrophobicContact CD-CE1 4.39Å; K60-Y113 HydrophobicContact CG-CD1 4.37Å; K60-Y113 HydrophobicContact CG-CE1 3.82Å; I69-Y113 HydrophobicContact CD1-CD1 3.63Å; I69-Y113 HydrophobicContact CD1-CE1 3.67Å; M100-Y113 HydrophobicContact CE-CD1 3.74Å; M100-Y113 HydrophobicContact CE-CE1 4.35Å; M100-Y113 HydrophobicContact CE-CG 3.97Å; I102-Y113 HydrophobicContact CD1-CE1 4.01Å; D109-Y113 WeakPolarHBondContact CA-OH 3.3Å; D109-Y113 WeakPolarHBondContact O-CE2 3.36Å; D109-Y113 PolarHBondContact O-OH 2.83Å; A111-Y113 HydrophobicContact CB-CE2 3.95Å; A111-Y113 WeakPolarHBondContact O-CD2 3.41Å; A111-Y113 WeakPolarHBondContact O-CE2 3.5Å; Y113-Q128 CarbonylContact O-C 3.54Å; Y113-Q128 WeakPolarHBondContact O-CA 3.44Å; Y113-T129 PolarHBondContact N-O 2.98Å; Y113-T129 PolarHBondContact O-N 2.9Å; Y113-L131 HydrophobicContact CD2-CB 4.11Å; Y113-L131 HydrophobicContact CE2-CB 3.88Å; Y113-L131 HydrophobicContact CE2-CD2 4.03Å |
| 114 | K | 95.6 | Very high | 93.5 | Very high | 66 Ų | 66 | 47.5 Ų | 47.5 | 29% | 0.287 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 133.4 | 171.8 | -88.4 | 173.3 | -178.4 | 176.4 | 0 | 110.5 | W58 Q59 I61 L116 G127 Q128 | W58-K114 CarbonylContact C-O 3.49Å; W58-K114 WeakPolarHBondContact CA-O 3.2Å; Q59-K114 HydrophobicContact CB-CB 4.24Å; Q59-K114 PolarHBondContact N-O 3.49Å; Q59-K114 PolarHBondContact O-N 3.41Å; I61-K114 HydrophobicContact CD1-CD 3.86Å; I61-K114 HydrophobicContact CD1-CG 3.98Å; I61-K114 HydrophobicContact CG1-CD 4.5Å; K114-L116 HydrophobicContact CB-CD2 4.48Å; K114-G127 VanDerWaalsContact CA-O 3.27Å; K114-G127 WeakPolarHBondContact CA-O 3.15Å; K114-Q128 HydrophobicContact CG-CB 3.99Å; K114-Q128 HydrophobicContact CG-CG 4.14Å |
| 115 | C | 95 | Very high | 93.3 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.007 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 129.7 | 159.3 | 52.8 | 0 | 0 | 0 | 0 | 107.9 | C45 I56 W58 F117 G126 G127 | C45-C115 HydrophobicContact CB-CB 3.63Å; C45-C115 WeakPolarHBondContact CB-SG 3.31Å; C45-C115 WeakPolarHBondContact SG-CB 3.46Å; C45-C115 CovalentContact SG-SG 2.02Å; C45-C115 PolarHBondContact SG-SG 2.86Å; I56-C115 HydrophobicContact CD1-CB 4.27Å; W58-C115 HydrophobicContact CD2-CB 4.33Å; W58-C115 HydrophobicContact CE3-CB 3.9Å; W58-C115 HydrophobicContact CH2-CB 3.76Å; W58-C115 HydrophobicContact CZ2-CB 4.16Å; W58-C115 HydrophobicContact CZ3-CB 3.61Å; C115-F117 HydrophobicContact CB-CE2 4.48Å; C115-G126 CarbonylContact O-C 3.55Å; C115-G126 WeakPolarHBondContact O-CA 3.41Å; C115-G127 PolarHBondContact N-O 2.88Å; C115-G127 PolarHBondContact O-N 2.86Å; C115-G127 PolarHBondContact SG-O 2.81Å |
| 116 | L | 94.8 | Very high | 93 | Very high | 32 Ų | 32 | 50.1 Ų | 50.1 | 17% | 0.168 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 109.1 | 178.8 | -62.9 | -177 | 0 | 0 | 0 | 109.2 | I56 T57 Q59 K114 N118 H125 | I56-L116 CarbonylContact C-O 3.6Å; I56-L116 WeakPolarHBondContact CA-O 3.4Å; T57-L116 PolarHBondContact N-O 3.19Å; T57-L116 PolarHBondContact O-N 2.95Å; Q59-L116 VanDerWaalsContact CD-CD1 3.49Å; Q59-L116 HydrophobicContact CG-CD1 4.12Å; K114-L116 HydrophobicContact CB-CD2 4.48Å; L116-N118 PolarHBondContact O-ND2 2.86Å; L116-H125 CarbonylContact C-O 3.51Å; L116-H125 WeakPolarHBondContact CA-O 3.46Å |
| 117 | F | 93.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 126.5 | 169.1 | -64.2 | -96.5 | 0 | 0 | 0 | 107.6 | I27 C45 F47 V53 I56 Y98 C115 S124 H125 | I27-F117 HydrophobicContact CD1-CD2 3.54Å; I27-F117 HydrophobicContact CD1-CE2 4.03Å; I27-F117 HydrophobicContact CG1-CD2 3.85Å; I27-F117 HydrophobicContact CG1-CE2 3.99Å; I27-F117 HydrophobicContact CG2-CE2 4Å; C45-F117 HydrophobicContact CB-CE2 3.85Å; C45-F117 HydrophobicContact CB-CZ 4Å; F47-F117 HydrophobicContact CB-CD1 3.55Å; F47-F117 HydrophobicContact CB-CD2 4.12Å; F47-F117 HydrophobicContact CB-CE1 3.48Å; F47-F117 VanDerWaalsContact CB-CE1 3.48Å; F47-F117 HydrophobicContact CB-CE2 4.08Å; F47-F117 HydrophobicContact CB-CG 3.87Å; F47-F117 HydrophobicContact CB-CZ 3.76Å; F47-F117 HydrophobicContact CD1-CD1 4.35Å; F47-F117 HydrophobicContact CD2-CB 4.28Å; F47-F117 HydrophobicContact CD2-CD2 4.37Å; F47-F117 HydrophobicContact CD2-CG 4.17Å; F47-F117 HydrophobicContact CG-CB 4.33Å; F47-F117 AromaticContact CG-CD1 3.98Å; F47-F117 HydrophobicContact CG-CD1 3.98Å; F47-F117 HydrophobicContact CG-CD2 4.46Å; F47-F117 HydrophobicContact CG-CE1 4.4Å; F47-F117 AromaticContact CG-CG 4Å; F47-F117 HydrophobicContact CG-CG 4Å; V53-F117 HydrophobicContact CG1-CD1 3.93Å; V53-F117 HydrophobicContact CG2-CD1 3.87Å; I56-F117 HydrophobicContact CD1-CE1 4.01Å; I56-F117 HydrophobicContact CD1-CE2 4.24Å; I56-F117 HydrophobicContact CD1-CZ 3.86Å; Y98-F117 HydrophobicContact CD2-CD1 4.49Å; Y98-F117 AromaticContact CD2-CE1 3.44Å; Y98-F117 HydrophobicContact CD2-CE1 3.44Å; Y98-F117 VanDerWaalsContact CD2-CE1 3.44Å; Y98-F117 HydrophobicContact CD2-CZ 4Å; Y98-F117 HydrophobicContact CE2-CD1 4.43Å; Y98-F117 AromaticContact CE2-CE1 3.7Å; Y98-F117 HydrophobicContact CE2-CE1 3.7Å; Y98-F117 HydrophobicContact CG-CE1 4.29Å; C115-F117 HydrophobicContact CB-CE2 4.48Å; F117-S124 CarbonylContact O-C 3.57Å; F117-S124 WeakPolarHBondContact O-CA 3.18Å; F117-S124 PolarHBondContact O-OG 2.85Å; F117-H125 PolarHBondContact N-O 2.84Å; F117-H125 PolarHBondContact O-N 2.83Å |
| 118 | N | 92.8 | Very high | 92.8 | Very high | 48 Ų | 48 | 49 Ų | 49 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 117.2 | 177 | -53.4 | -85.7 | 0 | 0 | 0 | 107.4 | E54 Q55 T57 L116 G123 S124 | E54-N118 PolarHBondContact N-O 3.49Å; Q55-N118 WeakPolarHBondContact O-CB 3.36Å; Q55-N118 PolarHBondContact O-N 3.42Å; Q55-N118 PolarHBondContact O-ND2 2.78Å; T57-N118 PolarHBondContact OG1-ND2 3.02Å; L116-N118 PolarHBondContact O-ND2 2.86Å; N118-G123 WeakPolarHBondContact CA-O 3.32Å; N118-S124 PolarHBondContact OD1-OG 2.7Å |
| 119 | T | 91.2 | Very high | 92.9 | Very high | 9 Ų | 9 | 43.2 Ų | 43.2 | 6% | 0.055 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 150.9 | 178.9 | 69.6 | 0 | 0 | 0 | 0 | 109.4 | F47 E51 N52 V53 G123 | F47-T119 HydrophobicContact CE1-CG2 3.67Å; F47-T119 HydrophobicContact CZ-CG2 3.75Å; E51-T119 HydrophobicContact CB-CG2 4.01Å; E51-T119 PolarHBondContact OE2-OG1 2.86Å; N52-T119 WeakPolarHBondContact O-CA 3.28Å; N52-T119 WeakPolarHBondContact O-CB 3.45Å; N52-T119 WeakPolarHBondContact O-CG2 3.1Å; V53-T119 HydrophobicContact CG2-CG2 4.44Å; T119-G123 PolarHBondContact N-O 2.83Å; T119-G123 PolarHBondContact O-N 2.75Å |
| 120 | F | 85.6 | Confident | 92.9 | Very high | 168 Ų | 168 | 44.6 Ų | 44.6 | 74% | 0.737 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116 | 134.2 | 173 | -175.4 | -93.2 | 0 | 0 | 0 | 109.7 | E54 | E54-F120 HydrophobicContact CG-CB 4.41Š|
| 121 | P | 89 | Confident | 93 | Very high | 91 Ų | 91 | 41.3 Ų | 41.3 | 59% | 0.591 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -88 | 2 | 0.6 | 36.3 | -36.9 | 0 | 0 | 0 | 115 | G123 | P121-G123 VanDerWaalsContact C-N 3.33Å; P121-G123 PolarHBondContact O-N 2.71Å |
| 122 | H | 86.9 | Confident | 93.1 | Very high | 116 Ų | 116 | 42 Ų | 42 | 54% | 0.537 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -6.8 | -164.3 | -45.1 | 112.9 | 0 | 0 | 0 | 116 | E51 | E51-H122 WeakPolarHBondContact OE2-CB 3.33Å; E51-H122 IonicContact OE2-CG 3.42Å; E51-H122 IonicContact OE2-ND1 2.91Å; E51-H122 PolarHBondContact OE2-ND1 3.39Å |
| 123 | G | 89.8 | Confident | 93.2 | Very high | 37 Ų | 37 | 40.4 Ų | 40.4 | 38% | 0.381 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 98.9 | -132.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N118 T119 P121 | N118-G123 WeakPolarHBondContact CA-O 3.32Å; T119-G123 PolarHBondContact N-O 2.83Å; T119-G123 PolarHBondContact O-N 2.75Å; P121-G123 VanDerWaalsContact C-N 3.33Å; P121-G123 PolarHBondContact O-N 2.71Å |
| 124 | S | 91 | Very high | 93.2 | Very high | 58 Ų | 58 | 41 Ų | 41 | 41% | 0.406 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 134.3 | -179.6 | -171.8 | 0 | 0 | 0 | 0 | 112.8 | F117 N118 | F117-S124 CarbonylContact O-C 3.57Å; F117-S124 WeakPolarHBondContact O-CA 3.18Å; F117-S124 PolarHBondContact O-OG 2.85Å; N118-S124 PolarHBondContact OD1-OG 2.7Å |
| 125 | H | 91.9 | Very high | 93.4 | Very high | 37 Ų | 37 | 39.4 Ų | 39.4 | 17% | 0.171 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 134.7 | 173.3 | -59.6 | -61.8 | 0 | 0 | 0 | 108.8 | R26 I27 F47 E51 L116 F117 | R26-H125 PolarHBondContact NH1-CE1 2.88Å; R26-H125 PolarHBondContact NH1-NE2 3.44Å; I27-H125 HydrophobicContact CD1-CB 3.79Å; I27-H125 WeakPolarHBondContact CD1-O 3.38Å; F47-H125 HydrophobicContact CD2-CB 4.46Å; F47-H125 HydrophobicContact CE2-CB 3.79Å; F47-H125 AromaticContact CE2-CD2 3.61Å; F47-H125 AromaticContact CE2-CG 3.88Å; F47-H125 AromaticContact CZ-CD2 3.63Å; E51-H125 IonicContact OE1-NE2 3.9Å; E51-H125 IonicContact OE2-NE2 3.7Å; L116-H125 CarbonylContact C-O 3.51Å; L116-H125 WeakPolarHBondContact CA-O 3.46Å; F117-H125 PolarHBondContact N-O 2.84Å; F117-H125 PolarHBondContact O-N 2.83Å |
| 126 | G | 91.4 | Very high | 93.5 | Very high | 48 Ų | 48 | 39.8 Ų | 39.8 | 50% | 0.495 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 139.5 | -174 | 0 | 0 | 0 | 0 | 0 | 115.5 | I27 C115 | I27-G126 VanDerWaalsContact CD1-CA 3.46Å; I27-G126 VanDerWaalsContact CD1-N 3.26Å; C115-G126 CarbonylContact O-C 3.55Å; C115-G126 WeakPolarHBondContact O-CA 3.41Å |
| 127 | G | 93.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 153.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | H29 K114 C115 | H29-G127 VanDerWaalsContact CD2-CA 3.44Å; H29-G127 WeakPolarHBondContact CD2-CA 3.31Å; K114-G127 VanDerWaalsContact CA-O 3.27Å; K114-G127 WeakPolarHBondContact CA-O 3.15Å; C115-G127 PolarHBondContact N-O 2.88Å; C115-G127 PolarHBondContact O-N 2.86Å; C115-G127 PolarHBondContact SG-O 2.81Å |
| 128 | Q | 94.7 | Very high | 93.8 | Very high | 72 Ų | 72 | 47 Ų | 47 | 34% | 0.336 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 125.4 | -178.3 | -174.7 | 179.1 | -59.7 | 0 | 0 | 112.5 | H29 I61 C112 Y113 K114 | H29-Q128 PolarHBondContact CE1-N 3.49Å; H29-Q128 PolarHBondContact CE1-O 2.78Å; H29-Q128 PolarHBondContact ND1-O 2.83Å; H29-Q128 VanDerWaalsContact ND1-O 3.15Å; H29-Q128 PolarHBondContact NE2-N 2.76Å; I61-Q128 HydrophobicContact CD1-CG 4.22Å; C112-Q128 HydrophobicContact CB-CG 4.09Å; Y113-Q128 CarbonylContact O-C 3.54Å; Y113-Q128 WeakPolarHBondContact O-CA 3.44Å; K114-Q128 HydrophobicContact CG-CB 3.99Å; K114-Q128 HydrophobicContact CG-CG 4.14Å |
| 129 | T | 96.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 123.5 | 177.9 | -53.3 | 0 | 0 | 0 | 0 | 110.1 | N30 E33 I43 Y113 | N30-T129 WeakPolarHBondContact O-CA 3.28Å; N30-T129 VanDerWaalsContact O-CB 3.26Å; N30-T129 WeakPolarHBondContact O-CB 3.42Å; N30-T129 VanDerWaalsContact O-CG2 3.27Å; N30-T129 WeakPolarHBondContact O-CG2 3.33Å; N30-T129 PolarHBondContact O-OG1 2.84Å; E33-T129 HydrophobicContact CB-CG2 4.12Å; E33-T129 HydrophobicContact CG-CG2 3.53Å; I43-T129 HydrophobicContact CD1-CG2 4.46Å; I43-T129 HydrophobicContact CG2-CG2 3.96Å; Y113-T129 PolarHBondContact N-O 2.98Å; Y113-T129 PolarHBondContact O-N 2.9Å |
| 130 | C | 96.3 | Very high | 94.4 | Very high | 30 Ų | 30 | 48.2 Ų | 48.2 | 20% | 0.203 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 119.4 | 176.7 | -59 | 0 | 0 | 0 | 0 | 111.3 | T31 Y32 E33 C112 | T31-C130 PolarHBondContact O-N 2.96Å; Y32-C130 CarbonylContact C-O 3.49Å; Y32-C130 VanDerWaalsContact CA-O 3.31Å; Y32-C130 WeakPolarHBondContact CA-O 3.22Å; Y32-C130 HydrophobicContact CD2-CB 4.27Å; Y32-C130 VanDerWaalsContact CD2-O 3.24Å; Y32-C130 WeakPolarHBondContact CD2-O 3.36Å; E33-C130 PolarHBondContact N-O 2.9Å; C112-C130 HydrophobicContact CB-CB 4.13Å; C112-C130 WeakPolarHBondContact CB-SG 3.41Å; C112-C130 WeakPolarHBondContact SG-CB 3.42Å; C112-C130 CovalentContact SG-SG 2.05Å; C112-C130 PolarHBondContact SG-SG 2.83Å |
| 131 | L | 96.9 | Very high | 95 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 134.3 | 179.1 | 178.3 | 59.9 | 0 | 0 | 0 | 110.1 | E33 A35 I41 A111 Y113 I133 | E33-L131 HydrophobicContact CB-CD1 4.06Å; E33-L131 WeakPolarHBondContact O-CA 3.15Å; A35-L131 HydrophobicContact CB-CD1 3.88Å; I41-L131 HydrophobicContact CG1-CD1 4.03Å; I41-L131 HydrophobicContact CG2-CD1 4.36Å; I41-L131 HydrophobicContact CG2-CD2 3.93Å; A111-L131 PolarHBondContact N-O 3.49Å; A111-L131 PolarHBondContact O-N 3Å; Y113-L131 HydrophobicContact CD2-CB 4.11Å; Y113-L131 HydrophobicContact CE2-CB 3.88Å; Y113-L131 HydrophobicContact CE2-CD2 4.03Å; L131-I133 HydrophobicContact CD2-CD1 4.18Å; L131-I133 HydrophobicContact CG-CD1 4.15Å |
| 132 | T | 96.5 | Very high | 95.3 | Very high | 28 Ų | 28 | 41.3 Ų | 41.3 | 17% | 0.172 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 137.7 | 167.7 | -62.3 | 0 | 0 | 0 | 0 | 110.9 | Y32 E33 R34 A35 | Y32-T132 WeakPolarHBondContact CE2-OG1 3.29Å; Y32-T132 WeakPolarHBondContact OH-CB 3.35Å; Y32-T132 PolarHBondContact OH-OG1 2.83Å; E33-T132 PolarHBondContact O-N 2.67Å; R34-T132 WeakPolarHBondContact CA-O 3.38Å; A35-T132 PolarHBondContact N-O 3.49Å |
| 133 | I | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 130.6 | 176.4 | -50.8 | -54.6 | 0 | 0 | 0 | 109.4 | A35 L37 V105 T106 F107 E110 L131 K162 | A35-I133 HydrophobicContact CB-CD1 4.19Å; A35-I133 WeakPolarHBondContact O-CA 3.17Å; L37-I133 HydrophobicContact CB-CG2 3.88Å; L37-I133 HydrophobicContact CD1-CG2 3.89Å; V105-I133 HydrophobicContact CB-CD1 3.88Å; V105-I133 HydrophobicContact CG2-CD1 3.81Å; T106-I133 WeakPolarHBondContact O-CG1 3.41Å; F107-I133 HydrophobicContact CD1-CB 4.02Å; F107-I133 HydrophobicContact CD1-CG2 3.98Å; F107-I133 HydrophobicContact CE1-CB 4.33Å; F107-I133 HydrophobicContact CE1-CG2 3.99Å; E110-I133 HydrophobicContact CB-CG1 4.16Å; E110-I133 PolarHBondContact OE2-N 3.41Å; L131-I133 HydrophobicContact CD2-CD1 4.18Å; L131-I133 HydrophobicContact CG-CD1 4.15Å; I133-K162 WeakPolarHBondContact O-CD 3.27Å; I133-K162 PolarHBondContact O-NZ 3.1Å |
| 134 | I | 98.1 | Very high | 95.8 | Very high | 15 Ų | 15 | 42.7 Ų | 42.7 | 8% | 0.077 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 148.7 | 175.9 | 58.2 | 172.9 | 0 | 0 | 0 | 110.4 | R34 A35 V36 L37 K162 V220 | R34-I134 HydrophobicContact CB-CD1 4.29Å; A35-I134 WeakPolarHBondContact O-CG1 2.92Å; A35-I134 PolarHBondContact O-N 2.9Å; V36-I134 CarbonylContact C-O 3.47Å; V36-I134 WeakPolarHBondContact CA-O 3.39Å; V36-I134 HydrophobicContact CG2-CG1 4.38Å; L37-I134 PolarHBondContact N-O 3.4Å; I134-K162 WeakPolarHBondContact CA-O 3.11Å; I134-K162 VanDerWaalsContact CB-O 3.24Å; I134-K162 WeakPolarHBondContact CB-O 3.26Å; I134-K162 WeakPolarHBondContact CG2-O 3.45Å; I134-V220 HydrophobicContact CB-CG2 4.05Å; I134-V220 HydrophobicContact CD1-CG2 3.63Å; I134-V220 HydrophobicContact CG1-CG2 3.68Å |
| 135 | T | 98.1 | Very high | 95.5 | Very high | 31 Ų | 31 | 43.8 Ų | 43.8 | 19% | 0.19 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 159.2 | 179.1 | -169.6 | 0 | 0 | 0 | 0 | 111 | F107 G161 K162 T190 H218 | F107-T135 HydrophobicContact CE1-CG2 4.45Å; F107-T135 HydrophobicContact CZ-CG2 3.93Å; T135-G161 CarbonylContact O-C 3.57Å; T135-G161 WeakPolarHBondContact O-CA 3.17Å; T135-K162 HydrophobicContact CG2-CB 4.26Å; T135-K162 PolarHBondContact N-O 3.01Å; T135-K162 VanDerWaalsContact N-O 3.08Å; T135-K162 PolarHBondContact O-N 2.89Å; T135-T190 HydrophobicContact CG2-CG2 4.09Å; T135-H218 PolarHBondContact N-CE1 2.75Å; T135-H218 VanDerWaalsContact N-CE1 3.32Å; T135-H218 PolarHBondContact O-CE1 2.79Å; T135-H218 PolarHBondContact O-NE2 2.89Å |
| 136 | V | 98.2 | Very high | 95 | Very high | 9 Ų | 9 | 42.9 Ų | 42.9 | 6% | 0.055 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 137.5 | 168.3 | 72.4 | 0 | 0 | 0 | 0 | 111.1 | V160 P165 M216 H218 V220 R221 | V136-V160 CarbonylContact C-O 3.47Å; V136-V160 VanDerWaalsContact CA-O 3.29Å; V136-V160 WeakPolarHBondContact CA-O 3.49Å; V136-P165 HydrophobicContact CG2-CB 4.09Å; V136-P165 HydrophobicContact CG2-CG 4.36Å; V136-M216 HydrophobicContact CG1-CE 4.33Å; V136-M216 HydrophobicContact CG2-CE 3.75Å; V136-M216 HydrophobicContact CG2-SD 3.61Å; V136-H218 HydrophobicContact CB-CB 4.24Å; V136-H218 HydrophobicContact CG1-CB 4.27Å; V136-H218 HydrophobicContact CG2-CB 4.06Å; V136-V220 HydrophobicContact CG1-CB 4.05Å; V136-V220 HydrophobicContact CG1-CG1 4.35Å; V136-R221 HydrophobicContact CG1-CG 3.73Å; V136-R221 PolarHBondContact O-NH1 2.94Å |
| 137 | S | 97.6 | Very high | 94.1 | Very high | 42 Ų | 42 | 47.2 Ų | 47.2 | 29% | 0.294 | 26% | 0.261 | S | S | . | . | trans | -74.1 | 172.8 | 172.9 | 74.4 | 0 | 0 | 0 | 0 | 111.5 | V160 M216 R221 | S137-V160 PolarHBondContact N-O 3.02Å; S137-V160 PolarHBondContact OG-N 2.83Å; S137-M216 WeakPolarHBondContact O-CE 3.44Å; S137-R221 PolarHBondContact O-NH2 2.87Å | ||
| 138 | E | 97.4 | Very high | 93 | Very high | 142 Ų | 142 | 51.4 Ų | 51.4 | 66% | 0.664 | 30% | 0.304 | S | S | * | . | trans | -64.4 | 155.9 | 162.7 | -66.8 | 177.9 | -177.8 | 0 | 0 | 111.4 | V140 R221 | E138-V140 PolarHBondContact O-N 2.82Å; E138-R221 VanDerWaalsContact N-NH2 3.14Å | ||
| 139 | L | 98.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -81.1 | 109.9 | 176.6 | 176.4 | 59.9 | 0 | 0 | 0 | 109.7 | T141 I167 V214 M216 E223 K225 | L139-T141 HydrophobicContact CD1-CG2 4.46Å; L139-T141 HydrophobicContact CD2-CG2 4.4Å; L139-T141 HydrophobicContact CG-CG2 4.05Å; L139-I167 HydrophobicContact CD1-CD1 4.26Å; L139-V214 HydrophobicContact CD1-CG1 4.35Å; L139-V214 HydrophobicContact CD2-CB 4.05Å; L139-V214 HydrophobicContact CD2-CG1 3.82Å; L139-V214 WeakPolarHBondContact CD2-O 3.39Å; L139-M216 HydrophobicContact CB-CB 4.34Å; L139-M216 HydrophobicContact CD1-CB 4.28Å; L139-M216 HydrophobicContact CD2-CB 4.03Å; L139-M216 HydrophobicContact CG-CB 4.44Å; L139-E223 WeakPolarHBondContact CB-OE1 3.41Å; L139-E223 PolarHBondContact N-OE1 2.8Å; L139-K225 HydrophobicContact CD2-CB 3.96Å; L139-K225 VanDerWaalsContact O-CD 3.29Å; L139-K225 WeakPolarHBondContact O-CD 3.31Å; L139-K225 PolarHBondContact O-NZ 2.85Å | ||
| 140 | V | 97.9 | Very high | 90.9 | Very high | 82 Ų | 82 | 57.9 Ų | 57.9 | 50% | 0.497 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 130.8 | 173.6 | -175.4 | 0 | 0 | 0 | 0 | 108.7 | E138 C157 S158 | E138-V140 PolarHBondContact O-N 2.82Å; V140-C157 CarbonylContact O-C 3.57Å; V140-C157 WeakPolarHBondContact O-CA 3.42Å; V140-S158 WeakPolarHBondContact CB-O 3.36Å; V140-S158 PolarHBondContact N-O 2.87Å; V140-S158 PolarHBondContact O-N 3.02Å |
| 141 | T | 97.6 | Very high | 90.3 | Very high | 30 Ų | 30 | 59.1 Ų | 59.1 | 18% | 0.184 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 129.5 | 178.5 | 55.9 | 0 | 0 | 0 | 0 | 109.3 | L139 L156 V214 K225 V227 | L139-T141 HydrophobicContact CD1-CG2 4.46Å; L139-T141 HydrophobicContact CD2-CG2 4.4Å; L139-T141 HydrophobicContact CG-CG2 4.05Å; T141-L156 CarbonylContact C-O 3.49Å; T141-L156 WeakPolarHBondContact CA-O 3.28Å; T141-V214 HydrophobicContact CG2-CB 4.02Å; T141-V214 HydrophobicContact CG2-CG1 4.16Å; T141-V214 HydrophobicContact CG2-CG2 3.86Å; T141-K225 HydrophobicContact CG2-CB 4.37Å; T141-K225 HydrophobicContact CG2-CD 3.96Å; T141-K225 HydrophobicContact CG2-CG 4.27Å; T141-K225 WeakPolarHBondContact OG1-CD 3.24Å; T141-K225 VanDerWaalsContact OG1-CE 3.25Å; T141-K225 WeakPolarHBondContact OG1-CE 3.12Å; T141-V227 HydrophobicContact CG2-CG2 4.16Å |
| 142 | E | 96.4 | Very high | 90.1 | Very high | 84 Ų | 84 | 61.5 Ų | 61.5 | 39% | 0.393 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 125.6 | 178.4 | -165.2 | -175 | 161.9 | 0 | 0 | 110.1 | R144 L156 | E142-R144 VanDerWaalsContact CD-NE 3.27Å; E142-R144 HydrophobicContact CG-CG 4.36Å; E142-R144 IonicContact OE1-CZ 3.2Å; E142-R144 IonicContact OE1-NE 3.56Å; E142-R144 PolarHBondContact OE1-NE 2.86Å; E142-R144 IonicContact OE1-NH2 2.86Å; E142-R144 PolarHBondContact OE1-NH2 3.48Å; E142-R144 IonicContact OE2-CZ 3.47Å; E142-R144 IonicContact OE2-NE 2.74Å; E142-R144 IonicContact OE2-NH2 2.75Å; E142-R144 PolarHBondContact OE2-NH2 2.95Å; E142-L156 PolarHBondContact N-O 3.35Å; E142-L156 PolarHBondContact O-N 2.86Å |
| 143 | L | 94.3 | Very high | 89.9 | Confident | 48 Ų | 48 | 60.7 Ų | 60.7 | 25% | 0.251 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 121 | 178 | -171.3 | 70.6 | 0 | 0 | 0 | 109.2 | H153 L155 V227 L229 | L143-H153 HydrophobicContact CD1-CB 3.86Å; L143-H153 HydrophobicContact CG-CB 4.34Å; L143-L155 HydrophobicContact CD1-CB 3.82Å; L143-L155 HydrophobicContact CD1-CD1 4.41Å; L143-V227 HydrophobicContact CB-CG1 4.19Å; L143-V227 HydrophobicContact CD2-CG1 4.27Å; L143-L229 HydrophobicContact CD2-CD2 4.11Å |
| 144 | R | 91.8 | Very high | 89.7 | Confident | 134 Ų | 134 | 62.1 Ų | 62.1 | 51% | 0.506 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 143.6 | 178.7 | -62.5 | -179.6 | 178.7 | 163.2 | 4.5 | 110.1 | E142 H153 S154 | E142-R144 VanDerWaalsContact CD-NE 3.27Å; E142-R144 HydrophobicContact CG-CG 4.36Å; E142-R144 IonicContact OE1-CZ 3.2Å; E142-R144 IonicContact OE1-NE 3.56Å; E142-R144 PolarHBondContact OE1-NE 2.86Å; E142-R144 IonicContact OE1-NH2 2.86Å; E142-R144 PolarHBondContact OE1-NH2 3.48Å; E142-R144 IonicContact OE2-CZ 3.47Å; E142-R144 IonicContact OE2-NE 2.74Å; E142-R144 IonicContact OE2-NH2 2.75Å; E142-R144 PolarHBondContact OE2-NH2 2.95Å; R144-H153 CarbonylContact O-C 3.5Å; R144-H153 WeakPolarHBondContact O-CA 3.45Å; R144-S154 PolarHBondContact N-O 3.35Å; R144-S154 PolarHBondContact O-N 3.4Å |
| 145 | S | 85.7 | Confident | 89.6 | Confident | 82 Ų | 82 | 61.4 Ų | 61.4 | 57% | 0.573 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69 | 139 | 170.3 | -47.3 | 0 | 0 | 0 | 0 | 110.1 | H153 | S145-H153 PolarHBondContact OG-NE2 3.32Å |
| 146 | A | 79.9 | Confident | 89.5 | Confident | 17 Ų | 17 | 62 Ų | 62 | 14% | 0.14 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 138.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | G148 S149 L152 | A146-G148 PolarHBondContact O-N 3.34Å; A146-S149 PolarHBondContact O-N 2.99Å; A146-L152 HydrophobicContact CB-CB 4.04Å; A146-L152 HydrophobicContact CB-CD2 3.91Å; A146-L152 HydrophobicContact CB-CG 3.96Å; A146-L152 VanDerWaalsContact CB-O 3.25Å; A146-L152 WeakPolarHBondContact CB-O 3.39Å; A146-L152 PolarHBondContact N-O 2.86Å |
| 147 | P | 73.1 | Confident | 89.5 | Confident | 139 Ų | 139 | 61.5 Ų | 61.5 | 90% | 0.903 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 124.5 | 177.4 | 25.5 | -33 | 0 | 0 | 0 | 110.5 | ||
| 148 | G | 70.1 | Confident | 89.5 | Confident | 90 Ų | 90 | 60.6 Ų | 60.6 | 93% | 0.928 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95 | 2.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | A146 | A146-G148 PolarHBondContact O-N 3.34Š|
| 149 | S | 72.2 | Confident | 89.6 | Confident | 55 Ų | 55 | 53.9 Ų | 53.9 | 39% | 0.385 | 32% | 0.32 | S | S | . | . | trans | -153.9 | 126 | 172.1 | 179.3 | 0 | 0 | 0 | 0 | 112.5 | A146 D151 L152 | A146-S149 PolarHBondContact O-N 2.99Å; S149-D151 VanDerWaalsContact C-N 3.3Å; S149-D151 PolarHBondContact O-N 3.09Å; S149-D151 PolarHBondContact OG-N 3.41Å; S149-L152 PolarHBondContact OG-N 2.79Å | ||
| 150 | E | 74.3 | Confident | 89.6 | Confident | 154 Ų | 154 | 56.2 Ų | 56.2 | 72% | 0.72 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -25.3 | 174.1 | -62.9 | -169.3 | 168.8 | 0 | 0 | 113 | H153 | E150-H153 PolarHBondContact O-CE1 3.12Å; E150-H153 VanDerWaalsContact O-CE1 3.24Å |
| 151 | D | 85.2 | Confident | 89.6 | Confident | 57 Ų | 57 | 52.3 Ų | 52.3 | 31% | 0.305 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -9.4 | -177.7 | -86.2 | -23.8 | 0 | 0 | 0 | 113.6 | S149 L201 R205 | S149-D151 VanDerWaalsContact C-N 3.3Å; S149-D151 PolarHBondContact O-N 3.09Å; S149-D151 PolarHBondContact OG-N 3.41Å; D151-L201 WeakPolarHBondContact O-CB 3.16Å; D151-L201 PolarHBondContact O-N 2.91Å; D151-R205 IonicContact OD1-CZ 3.61Å; D151-R205 IonicContact OD1-NH1 2.69Å; D151-R205 PolarHBondContact OD1-NH1 2.88Å; D151-R205 IonicContact OD1-NH2 3.78Å |
| 152 | L | 91.3 | Very high | 89.6 | Confident | 52 Ų | 52 | 51.6 Ų | 51.6 | 27% | 0.272 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 126.9 | 178.9 | -170.2 | 72.3 | 0 | 0 | 0 | 110.4 | A146 S149 V176 N198 | A146-L152 HydrophobicContact CB-CB 4.04Å; A146-L152 HydrophobicContact CB-CD2 3.91Å; A146-L152 HydrophobicContact CB-CG 3.96Å; A146-L152 VanDerWaalsContact CB-O 3.25Å; A146-L152 WeakPolarHBondContact CB-O 3.39Å; A146-L152 PolarHBondContact N-O 2.86Å; S149-L152 PolarHBondContact OG-N 2.79Å; L152-V176 HydrophobicContact CD1-CG2 3.84Å; L152-N198 HydrophobicContact CD1-CB 4.35Å |
| 153 | H | 92.6 | Very high | 89.6 | Confident | 12 Ų | 12 | 51.1 Ų | 51.1 | 6% | 0.056 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 143.2 | 177.6 | -78 | 55.7 | 0 | 0 | 0 | 111 | L143 R144 S145 E150 N198 I199 L201 | L143-H153 HydrophobicContact CD1-CB 3.86Å; L143-H153 HydrophobicContact CG-CB 4.34Å; R144-H153 CarbonylContact O-C 3.5Å; R144-H153 WeakPolarHBondContact O-CA 3.45Å; S145-H153 PolarHBondContact OG-NE2 3.32Å; E150-H153 PolarHBondContact O-CE1 3.12Å; E150-H153 VanDerWaalsContact O-CE1 3.24Å; H153-N198 CarbonylContact O-C 3.54Å; H153-I199 PolarHBondContact N-O 2.98Å; H153-I199 PolarHBondContact O-N 2.82Å; H153-L201 WeakPolarHBondContact ND1-CD1 3.49Å |
| 154 | S | 94.1 | Very high | 89.8 | Confident | 30 Ų | 30 | 50.9 Ų | 50.9 | 21% | 0.21 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 113.2 | 172.9 | -169 | 0 | 0 | 0 | 0 | 108.6 | R144 I196 Y197 | R144-S154 PolarHBondContact N-O 3.35Å; R144-S154 PolarHBondContact O-N 3.4Å; S154-I196 WeakPolarHBondContact OG-CG2 3.34Å; S154-Y197 WeakPolarHBondContact CA-O 3.39Å |
| 155 | L | 95.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 108.1 | 172.3 | 171.1 | 55.7 | 0 | 0 | 0 | 108.5 | L143 V169 I196 Y197 I199 L212 V214 V227 | L143-L155 HydrophobicContact CD1-CB 3.82Å; L143-L155 HydrophobicContact CD1-CD1 4.41Å; L155-V169 HydrophobicContact CD2-CG1 4.43Å; L155-V169 HydrophobicContact CD2-CG2 4.21Å; L155-I196 WeakPolarHBondContact O-CA 3.45Å; L155-Y197 PolarHBondContact N-O 3.18Å; L155-Y197 PolarHBondContact O-N 3.23Å; L155-I199 HydrophobicContact CB-CG1 3.89Å; L155-L212 HydrophobicContact CD2-CD1 4.02Å; L155-V214 HydrophobicContact CD2-CG2 4.01Å; L155-V227 HydrophobicContact CD1-CG1 4.12Å; L155-V227 HydrophobicContact CD1-CG2 4.21Å |
| 156 | L | 97.1 | Very high | 90.7 | Very high | 42 Ų | 42 | 42.2 Ų | 42.2 | 22% | 0.22 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 124.1 | 173.6 | -178.3 | 145 | 0 | 0 | 0 | 109.3 | T141 E142 T194 I196 | T141-L156 CarbonylContact C-O 3.49Å; T141-L156 WeakPolarHBondContact CA-O 3.28Å; E142-L156 PolarHBondContact N-O 3.35Å; E142-L156 PolarHBondContact O-N 2.86Å; L156-T194 HydrophobicContact CD1-CG2 4.2Å; L156-T194 HydrophobicContact CD2-CG2 4.48Å; L156-T194 HydrophobicContact CG-CG2 4.11Å; L156-I196 HydrophobicContact CD1-CD1 4.42Å; L156-I196 HydrophobicContact CD1-CG1 4.37Å |
| 157 | C | 97.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 131 | 176.3 | -57.7 | 0 | 0 | 0 | 0 | 108.6 | V140 I167 T194 K195 V214 | V140-C157 CarbonylContact O-C 3.57Å; V140-C157 WeakPolarHBondContact O-CA 3.42Å; C157-I167 HydrophobicContact CB-CG2 3.82Å; C157-T194 CarbonylContact O-C 3.59Å; C157-T194 WeakPolarHBondContact O-CA 3.45Å; C157-K195 PolarHBondContact N-O 3.45Å; C157-K195 PolarHBondContact O-N 2.84Å; C157-V214 HydrophobicContact CB-CG1 4.11Å; C157-V214 WeakPolarHBondContact SG-CG1 3.38Å |
| 158 | S | 98.2 | Very high | 92.6 | Very high | 23 Ų | 23 | 38 Ų | 38 | 16% | 0.161 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 139.9 | -179.5 | -164.4 | 0 | 0 | 0 | 0 | 112.2 | V140 V193 T194 | V140-S158 WeakPolarHBondContact CB-O 3.36Å; V140-S158 PolarHBondContact N-O 2.87Å; V140-S158 PolarHBondContact O-N 3.02Å; S158-V193 VanDerWaalsContact CA-O 3.3Å; S158-V193 WeakPolarHBondContact CA-O 3.42Å; S158-V193 PolarHBondContact OG-O 2.93Å; S158-T194 PolarHBondContact OG-OG1 2.86Å |
| 159 | A | 98.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 150.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | P165 I167 V193 M216 | A159-P165 HydrophobicContact CB-CG 3.88Å; A159-I167 HydrophobicContact CB-CD1 4.21Å; A159-V193 PolarHBondContact N-O 3.44Å; A159-V193 PolarHBondContact O-N 2.83Å; A159-M216 HydrophobicContact CB-SD 3.41Å; A159-M216 WeakPolarHBondContact CB-SD 3.37Å |
| 160 | V | 98.2 | Very high | 95 | Very high | 48 Ų | 48 | 39 Ų | 39 | 29% | 0.291 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 134.8 | 178.1 | -169.9 | 0 | 0 | 0 | 0 | 109 | V136 S137 V191 T192 | V136-V160 CarbonylContact C-O 3.47Å; V136-V160 VanDerWaalsContact CA-O 3.29Å; V136-V160 WeakPolarHBondContact CA-O 3.49Å; S137-V160 PolarHBondContact N-O 3.02Å; S137-V160 PolarHBondContact OG-N 2.83Å; V160-V191 WeakPolarHBondContact CA-O 3.2Å; V160-T192 HydrophobicContact CG2-CG2 4.11Å |
| 161 | G | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 167.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | T135 P163 V191 | T135-G161 CarbonylContact O-C 3.57Å; T135-G161 WeakPolarHBondContact O-CA 3.17Å; G161-P163 CarbonylContact C-O 3.53Å; G161-V191 PolarHBondContact N-O 3.08Å; G161-V191 PolarHBondContact O-N 3.38Å |
| 162 | K | 97.5 | Very high | 96.2 | Very high | 16 Ų | 16 | 33.2 Ų | 33.2 | 7% | 0.07 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 111 | 167.1 | -174.7 | 169.9 | -173.4 | -80.5 | 0 | 107.8 | F107 E110 I133 I134 T135 N188 T190 H218 | F107-K162 HydrophobicContact CD1-CD 4.49Å; F107-K162 HydrophobicContact CE1-CD 3.96Å; E110-K162 IonicContact OE1-NZ 3.62Å; E110-K162 PolarHBondContact OE1-NZ 2.91Å; E110-K162 IonicContact OE2-NZ 2.81Å; E110-K162 PolarHBondContact OE2-NZ 2.84Å; I133-K162 WeakPolarHBondContact O-CD 3.27Å; I133-K162 PolarHBondContact O-NZ 3.1Å; I134-K162 WeakPolarHBondContact CA-O 3.11Å; I134-K162 VanDerWaalsContact CB-O 3.24Å; I134-K162 WeakPolarHBondContact CB-O 3.26Å; I134-K162 WeakPolarHBondContact CG2-O 3.45Å; T135-K162 HydrophobicContact CG2-CB 4.26Å; T135-K162 PolarHBondContact N-O 3.01Å; T135-K162 VanDerWaalsContact N-O 3.08Å; T135-K162 PolarHBondContact O-N 2.89Å; K162-N188 VanDerWaalsContact CD-O 3.29Å; K162-N188 WeakPolarHBondContact CD-O 3.24Å; K162-N188 VanDerWaalsContact CE-O 3.26Å; K162-N188 WeakPolarHBondContact CE-O 3.18Å; K162-T190 HydrophobicContact CB-CG2 4.09Å; K162-T190 HydrophobicContact CD-CG2 4.47Å; K162-H218 PolarHBondContact N-NE2 3.32Å; K162-H218 VanDerWaalsContact N-NE2 3.2Å; K162-H218 PolarHBondContact O-CE1 3.11Å; K162-H218 PolarHBondContact O-NE2 2.85Å |
| 163 | P | 97.1 | Very high | 96.1 | Very high | 74 Ų | 74 | 36.5 Ų | 36.5 | 48% | 0.481 | 21% | 0.214 | S | C | . | . | S | Bend | cis | -62.5 | 177 | -9.2 | 31.2 | -38.2 | 0 | 0 | 0 | 112.9 | G161 H218 | G161-P163 CarbonylContact C-O 3.53Å; P163-H218 VanDerWaalsContact CA-NE2 3.28Å; P163-H218 WeakPolarHBondContact CA-NE2 3.28Å; P163-H218 WeakPolarHBondContact CD-NE2 3.23Å; P163-H218 WeakPolarHBondContact CG-NE2 3.49Å; P163-H218 PolarHBondContact O-CD2 2.7Å; P163-H218 VanDerWaalsContact O-CD2 3.29Å; P163-H218 PolarHBondContact O-NE2 2.85Å |
| 164 | A | 97.8 | Very high | 96 | Very high | 43 Ų | 43 | 35.9 Ų | 35.9 | 36% | 0.355 | 21% | 0.211 | S | C | . | . | P | Polyproline II helix | trans | -57.1 | 132.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | V191 V193 | A164-V191 HydrophobicContact CB-CB 3.92Å; A164-V191 HydrophobicContact CB-CG1 3.95Å; A164-V191 HydrophobicContact CB-CG2 4.46Å; A164-V193 HydrophobicContact CB-CG2 3.87Å |
| 165 | P | 98.1 | Very high | 95.8 | Very high | 5 Ų | 5 | 35.9 Ų | 35.9 | 3% | 0.032 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -75.6 | 147.8 | 177.1 | 30.1 | -34.9 | 0 | 0 | 0 | 112.6 | V136 A159 V193 M216 H218 | V136-P165 HydrophobicContact CG2-CB 4.09Å; V136-P165 HydrophobicContact CG2-CG 4.36Å; A159-P165 HydrophobicContact CB-CG 3.88Å; P165-V193 HydrophobicContact CG-CB 4.36Å; P165-V193 HydrophobicContact CG-CG2 4.16Å; P165-M216 HydrophobicContact CB-CG 3.89Å; P165-M216 HydrophobicContact CB-SD 3.98Å; P165-M216 HydrophobicContact CG-SD 4.43Å; P165-H218 HydrophobicContact CB-CB 4.37Å |
| 166 | G | 97.8 | Very high | 95.4 | Very high | 28 Ų | 28 | 39.8 Ų | 39.8 | 29% | 0.289 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 141.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | M216 T217 | G166-M216 CarbonylContact O-C 3.57Å; G166-M216 VanDerWaalsContact O-CA 3.28Å; G166-M216 WeakPolarHBondContact O-CA 3.4Å; G166-T217 PolarHBondContact N-O 2.67Å; G166-T217 PolarHBondContact O-N 2.87Å |
| 167 | I | 98.1 | Very high | 94.9 | Very high | 9 Ų | 9 | 43.9 Ų | 43.9 | 5% | 0.046 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 132.4 | 173.6 | -60.2 | 177.3 | 0 | 0 | 0 | 108.9 | L139 C157 A159 V193 K195 Y197 V214 | L139-I167 HydrophobicContact CD1-CD1 4.26Å; C157-I167 HydrophobicContact CB-CG2 3.82Å; A159-I167 HydrophobicContact CB-CD1 4.21Å; I167-V193 HydrophobicContact CD1-CB 4.4Å; I167-V193 HydrophobicContact CD1-CG1 4.11Å; I167-V193 HydrophobicContact CG1-CG1 4.49Å; I167-K195 HydrophobicContact CB-CD 3.97Å; I167-K195 HydrophobicContact CB-CG 4.35Å; I167-K195 HydrophobicContact CG2-CD 4.26Å; I167-K195 WeakPolarHBondContact O-CD 3.42Å; I167-K195 VanDerWaalsContact O-CE 3.26Å; I167-K195 WeakPolarHBondContact O-CE 3.17Å; I167-K195 PolarHBondContact O-NZ 3.4Å; I167-Y197 PolarHBondContact O-OH 3.38Å; I167-V214 HydrophobicContact CG2-CG1 4.05Å |
| 168 | S | 96.6 | Very high | 94.5 | Very high | 58 Ų | 58 | 48.1 Ų | 48.1 | 41% | 0.406 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 163.4 | 174.8 | 60.7 | 0 | 0 | 0 | 0 | 111.5 | V214 S215 | S168-V214 WeakPolarHBondContact O-CA 3.24Å; S168-V214 WeakPolarHBondContact O-CG1 3.21Å; S168-S215 PolarHBondContact N-O 2.67Å; S168-S215 PolarHBondContact O-N 2.84Å; S168-S215 PolarHBondContact OG-O 3.12Å |
| 169 | V | 96.7 | Very high | 94.3 | Very high | 14 Ų | 14 | 49.5 Ų | 49.5 | 9% | 0.085 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 137.3 | 176.5 | 174.6 | 0 | 0 | 0 | 0 | 109.3 | L155 Y197 L212 V213 V214 | L155-V169 HydrophobicContact CD2-CG1 4.43Å; L155-V169 HydrophobicContact CD2-CG2 4.21Å; V169-Y197 HydrophobicContact CB-CD1 4.08Å; V169-Y197 HydrophobicContact CB-CE1 3.89Å; V169-Y197 HydrophobicContact CB-CE2 4.47Å; V169-Y197 HydrophobicContact CB-CG 4.48Å; V169-Y197 HydrophobicContact CG2-CD1 3.93Å; V169-Y197 HydrophobicContact CG2-CD2 3.66Å; V169-Y197 HydrophobicContact CG2-CE1 3.75Å; V169-Y197 HydrophobicContact CG2-CE2 3.45Å; V169-Y197 VanDerWaalsContact CG2-CE2 3.45Å; V169-Y197 HydrophobicContact CG2-CG 3.9Å; V169-L212 HydrophobicContact CG1-CB 4.45Å; V169-L212 HydrophobicContact CG1-CD1 4.29Å; V169-V213 CarbonylContact C-O 3.53Å; V169-V213 WeakPolarHBondContact CA-O 3.45Å; V169-V214 HydrophobicContact CG2-CB 4.49Å; V169-V214 HydrophobicContact CG2-CG1 4.13Å; V169-V214 HydrophobicContact CG2-CG2 4.14Å |
| 170 | Y | 94.9 | Very high | 94.1 | Very high | 154 Ų | 154 | 53.8 Ų | 53.8 | 60% | 0.604 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 139.3 | 175.9 | -179.1 | -92.1 | 0 | 0 | 0 | 110.7 | V213 | Y170-V213 PolarHBondContact N-O 3.12Å; Y170-V213 PolarHBondContact O-N 2.68Å |
| 171 | P | 93.2 | Very high | 94 | Very high | 13 Ų | 13 | 55.4 Ų | 55.4 | 8% | 0.084 | 32% | 0.319 | C | S | . | . | S | Bend | cis | -73.6 | 141.6 | -6.4 | -18.5 | 35.2 | 0 | 0 | 0 | 112.2 | Q173 V174 L209 | P171-Q173 VanDerWaalsContact C-N 3.31Å; P171-Q173 PolarHBondContact O-N 2.93Å; P171-V174 HydrophobicContact CB-CG2 4.3Å; P171-V174 WeakPolarHBondContact O-CG2 3.2Å; P171-L209 HydrophobicContact CB-CD1 4.27Å; P171-L209 HydrophobicContact CG-CD1 3.66Å; P171-L209 HydrophobicContact CG-CD2 3.92Å; P171-L209 HydrophobicContact CG-CG 4.46Å |
| 172 | S | 91.1 | Very high | 94 | Very high | 75 Ų | 75 | 61.4 Ų | 61.4 | 52% | 0.524 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -71.4 | -26.1 | -175.7 | 56.2 | 0 | 0 | 0 | 0 | 113.3 | V174 T175 | S172-V174 PolarHBondContact O-N 2.79Å; S172-V174 VanDerWaalsContact O-N 3.1Å; S172-T175 WeakPolarHBondContact O-CB 3.32Å; S172-T175 PolarHBondContact O-N 3.03Å; S172-T175 PolarHBondContact O-OG1 3.29Å |
| 173 | Q | 89.6 | Confident | 94 | Very high | 121 Ų | 121 | 66.9 Ų | 66.9 | 57% | 0.565 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -61.5 | -18.4 | -178.3 | -56.6 | 84 | -9.2 | 0 | 0 | 113.6 | P171 T203 L207 | P171-Q173 VanDerWaalsContact C-N 3.31Å; P171-Q173 PolarHBondContact O-N 2.93Å; Q173-T203 WeakPolarHBondContact O-CG2 3.21Å; Q173-L207 HydrophobicContact CB-CD1 4.27Å |
| 174 | V | 90.2 | Very high | 94 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -77.3 | -15.1 | 177.9 | -157.1 | 0 | 0 | 0 | 0 | 111.7 | P171 S172 I199 S200 A204 L207 L209 L212 | P171-V174 HydrophobicContact CB-CG2 4.3Å; P171-V174 WeakPolarHBondContact O-CG2 3.2Å; S172-V174 PolarHBondContact O-N 2.79Å; S172-V174 VanDerWaalsContact O-N 3.1Å; V174-I199 HydrophobicContact CG1-CG2 3.67Å; V174-S200 WeakPolarHBondContact CG1-O 3.38Å; V174-S200 PolarHBondContact O-N 3.48Å; V174-A204 HydrophobicContact CG1-CB 3.65Å; V174-L207 HydrophobicContact CG2-CD1 4.4Å; V174-L209 HydrophobicContact CG2-CD1 3.52Å; V174-L212 HydrophobicContact CB-CD2 4.27Å; V174-L212 HydrophobicContact CG1-CD2 4.46Å; V174-L212 HydrophobicContact CG2-CD2 3.95Å |
| 175 | T | 89.8 | Confident | 93.9 | Very high | 30 Ų | 30 | 71.5 Ų | 71.5 | 18% | 0.184 | 38% | 0.383 | C | S | . | . | B | Isolated β-bridge | trans | -84.3 | 128 | 179.6 | -33.8 | 0 | 0 | 0 | 0 | 110.6 | S172 Q177 Y197 N198 | S172-T175 WeakPolarHBondContact O-CB 3.32Å; S172-T175 PolarHBondContact O-N 3.03Å; S172-T175 PolarHBondContact O-OG1 3.29Å; T175-Q177 WeakPolarHBondContact CG2-O 3.47Å; T175-Y197 HydrophobicContact CG2-CD1 4.02Å; T175-N198 CarbonylContact C-O 3.53Å; T175-N198 WeakPolarHBondContact CA-O 3.31Å; T175-N198 WeakPolarHBondContact CG2-O 3.32Å |
| 176 | V | 86.9 | Confident | 93.8 | Very high | 82 Ų | 82 | 74.4 Ų | 74.4 | 50% | 0.497 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -77.2 | -25.5 | -175.4 | -175.3 | 0 | 0 | 0 | 0 | 112.6 | L152 N198 | L152-V176 HydrophobicContact CD1-CG2 3.84Å; V176-N198 PolarHBondContact N-O 2.84Å |
| 177 | Q | 87.8 | Confident | 93.5 | Very high | 128 Ų | 128 | 76.6 Ų | 76.6 | 60% | 0.598 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -146.3 | 170.4 | -174.7 | -67.6 | 177.3 | -9.2 | 0 | 0 | 110.2 | T175 | T175-Q177 WeakPolarHBondContact CG2-O 3.47Š|
| 178 | A | 89.8 | Confident | 93.3 | Very high | 88 Ų | 88 | 80.3 Ų | 80.3 | 73% | 0.727 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 139.4 | 168 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 179 | P | 92.7 | Very high | 93.1 | Very high | 52 Ų | 52 | 80.2 Ų | 80.2 | 34% | 0.338 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 144.5 | 179.1 | 28 | -34.4 | 0 | 0 | 0 | 111.1 | I196 Y197 | P179-I196 VanDerWaalsContact CA-O 3.31Å; P179-I196 WeakPolarHBondContact CA-O 3.48Å; P179-Y197 HydrophobicContact CB-CD1 3.75Å; P179-Y197 HydrophobicContact CB-CD2 4.49Å; P179-Y197 HydrophobicContact CB-CE1 3.63Å; P179-Y197 HydrophobicContact CB-CE2 4.39Å; P179-Y197 HydrophobicContact CB-CG 4.17Å; P179-Y197 HydrophobicContact CG-CD1 4.31Å; P179-Y197 HydrophobicContact CG-CE1 3.81Å |
| 180 | Q | 94.4 | Very high | 93.1 | Very high | 91 Ų | 91 | 80.3 Ų | 80.3 | 43% | 0.425 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 128.1 | 169.4 | -62.5 | 170.7 | -10.7 | 0 | 0 | 108 | Y182 K195 I196 | Q180-Y182 HydrophobicContact CB-CE2 3.78Å; Q180-K195 CarbonylContact O-C 3.58Å; Q180-K195 VanDerWaalsContact O-CA 3.27Å; Q180-K195 WeakPolarHBondContact O-CA 3.22Å; Q180-I196 HydrophobicContact CB-CB 4.33Å; Q180-I196 PolarHBondContact N-O 2.94Å; Q180-I196 PolarHBondContact O-N 3.18Å |
| 181 | E | 96.5 | Very high | 93.3 | Very high | 83 Ų | 83 | 74.4 Ų | 74.4 | 39% | 0.388 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 127.9 | -174.8 | 179.9 | 164.7 | -162 | 0 | 0 | 110.4 | F183 K195 | E181-F183 HydrophobicContact CG-CD2 4.45Å; E181-F183 HydrophobicContact CG-CE2 3.67Å; E181-F183 HydrophobicContact CG-CZ 3.83Å; E181-F183 WeakPolarHBondContact OE1-CZ 3.42Å; E181-K195 HydrophobicContact CB-CG 4.24Å; E181-K195 HydrophobicContact CG-CD 4.43Å; E181-K195 HydrophobicContact CG-CG 4.07Å; E181-K195 WeakPolarHBondContact OE1-CE 3.26Å; E181-K195 IonicContact OE1-NZ 3.23Å; E181-K195 PolarHBondContact OE1-NZ 3.35Å; E181-K195 WeakPolarHBondContact OE2-CE 3.29Å; E181-K195 IonicContact OE2-NZ 2.83Å; E181-K195 PolarHBondContact OE2-NZ 2.9Å |
| 182 | Y | 97 | Very high | 93.5 | Very high | 126 Ų | 126 | 75.1 Ų | 75.1 | 49% | 0.494 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 135.5 | -176.2 | -57.8 | -82.8 | 0 | 0 | 0 | 110.3 | Q180 T194 I196 | Q180-Y182 HydrophobicContact CB-CE2 3.78Å; Y182-T194 PolarHBondContact N-O 2.8Å; Y182-T194 PolarHBondContact O-N 2.74Å; Y182-I196 HydrophobicContact CE2-CD1 4.08Å |
| 183 | F | 97.8 | Very high | 93.9 | Very high | 130 Ų | 130 | 71.6 Ų | 71.6 | 57% | 0.57 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116 | 120.8 | 175.2 | -61.3 | -87.6 | 0 | 0 | 0 | 109.1 | E181 V191 T192 V193 | E181-F183 HydrophobicContact CG-CD2 4.45Å; E181-F183 HydrophobicContact CG-CE2 3.67Å; E181-F183 HydrophobicContact CG-CZ 3.83Å; E181-F183 WeakPolarHBondContact OE1-CZ 3.42Å; F183-V191 HydrophobicContact CB-CG1 4.22Å; F183-V191 HydrophobicContact CD1-CG1 3.98Å; F183-T192 WeakPolarHBondContact CA-O 3.28Å; F183-V193 HydrophobicContact CD1-CG2 3.78Å; F183-V193 HydrophobicContact CE1-CG1 4.27Å; F183-V193 HydrophobicContact CE1-CG2 3.75Å |
| 184 | A | 97.3 | Very high | 94.3 | Very high | 50 Ų | 50 | 67.3 Ų | 67.3 | 41% | 0.413 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 121.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | V191 T192 | A184-V191 CarbonylContact O-C 3.58Å; A184-V191 WeakPolarHBondContact O-CA 3.48Å; A184-T192 PolarHBondContact N-O 2.96Å; A184-T192 PolarHBondContact O-N 3.11Å |
| 185 | Q | 96.7 | Very high | 94.6 | Very high | 164 Ų | 164 | 68.4 Ų | 68.4 | 77% | 0.766 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 127.3 | 174.9 | -175.1 | 176 | -0.5 | 0 | 0 | 109.5 | ||
| 186 | N | 94.9 | Very high | 94.9 | Very high | 67 Ų | 67 | 68.5 Ų | 68.5 | 36% | 0.358 | 38% | 0.382 | S | S | . | . | trans | -108.7 | -177.4 | 178 | -41.7 | -71.5 | 0 | 0 | 0 | 110.8 | T190 T192 | N186-T190 PolarHBondContact N-O 2.81Å; N186-T190 PolarHBondContact ND2-O 3.18Å; N186-T192 PolarHBondContact ND2-N 2.96Å; N186-T192 PolarHBondContact ND2-OG1 2.74Å; N186-T192 PolarHBondContact OD1-OG1 2.89Å | ||
| 187 | A | 92.3 | Very high | 95.3 | Very high | 74 Ų | 74 | 65.2 Ų | 65.2 | 61% | 0.612 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -54.9 | 160.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A189 T190 | A187-A189 PolarHBondContact O-N 2.87Å; A187-A189 VanDerWaalsContact O-N 3.14Å; A187-T190 PolarHBondContact O-N 3.28Å; A187-T190 PolarHBondContact O-OG1 3.49Å |
| 188 | N | 92.9 | Very high | 95.6 | Very high | 87 Ų | 87 | 60.8 Ų | 60.8 | 47% | 0.465 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | 57.8 | 24.1 | 179.5 | -51.1 | -24.3 | 0 | 0 | 0 | 114.2 | F107 K162 T190 | F107-N188 HydrophobicContact CB-CB 4.03Å; F107-N188 HydrophobicContact CD1-CB 3.83Å; F107-N188 HydrophobicContact CD2-CB 3.64Å; F107-N188 WeakPolarHBondContact CD2-ND2 3.03Å; F107-N188 HydrophobicContact CE1-CB 4.12Å; F107-N188 HydrophobicContact CE2-CB 3.92Å; F107-N188 HydrophobicContact CG-CB 3.56Å; F107-N188 HydrophobicContact CZ-CB 4.15Å; K162-N188 VanDerWaalsContact CD-O 3.29Å; K162-N188 WeakPolarHBondContact CD-O 3.24Å; K162-N188 VanDerWaalsContact CE-O 3.26Å; K162-N188 WeakPolarHBondContact CE-O 3.18Å; N188-T190 PolarHBondContact O-N 2.73Å |
| 189 | A | 92.9 | Very high | 95.9 | Very high | 55 Ų | 55 | 56.6 Ų | 56.6 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | 53.2 | 30.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | A187 | A187-A189 PolarHBondContact O-N 2.87Å; A187-A189 VanDerWaalsContact O-N 3.14Å |
| 190 | T | 97.3 | Very high | 95.8 | Very high | 17 Ų | 17 | 54.9 Ų | 54.9 | 10% | 0.104 | 30% | 0.296 | C | S | . | . | trans | -82.1 | 150.9 | 167.3 | 60.2 | 0 | 0 | 0 | 0 | 110.1 | F107 T135 K162 N186 A187 N188 | F107-T190 HydrophobicContact CE1-CG2 4.21Å; F107-T190 HydrophobicContact CZ-CG2 3.78Å; T135-T190 HydrophobicContact CG2-CG2 4.09Å; K162-T190 HydrophobicContact CB-CG2 4.09Å; K162-T190 HydrophobicContact CD-CG2 4.47Å; N186-T190 PolarHBondContact N-O 2.81Å; N186-T190 PolarHBondContact ND2-O 3.18Å; A187-T190 PolarHBondContact O-N 3.28Å; A187-T190 PolarHBondContact O-OG1 3.49Å; N188-T190 PolarHBondContact O-N 2.73Å | ||
| 191 | V | 98.1 | Very high | 95.7 | Very high | 30 Ų | 30 | 50.7 Ų | 50.7 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 126 | -178.7 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | V160 G161 A164 F183 A184 V193 | V160-V191 WeakPolarHBondContact CA-O 3.2Å; G161-V191 PolarHBondContact N-O 3.08Å; G161-V191 PolarHBondContact O-N 3.38Å; A164-V191 HydrophobicContact CB-CB 3.92Å; A164-V191 HydrophobicContact CB-CG1 3.95Å; A164-V191 HydrophobicContact CB-CG2 4.46Å; F183-V191 HydrophobicContact CB-CG1 4.22Å; F183-V191 HydrophobicContact CD1-CG1 3.98Å; A184-V191 CarbonylContact O-C 3.58Å; A184-V191 WeakPolarHBondContact O-CA 3.48Å; V191-V193 HydrophobicContact CG1-CG2 4.32Å |
| 192 | T | 98.3 | Very high | 95.4 | Very high | 28 Ų | 28 | 53.9 Ų | 53.9 | 17% | 0.172 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 121.4 | 167 | -53.1 | 0 | 0 | 0 | 0 | 108.5 | V160 F183 A184 N186 | V160-T192 HydrophobicContact CG2-CG2 4.11Å; F183-T192 WeakPolarHBondContact CA-O 3.28Å; A184-T192 PolarHBondContact N-O 2.96Å; A184-T192 PolarHBondContact O-N 3.11Å; N186-T192 PolarHBondContact ND2-N 2.96Å; N186-T192 PolarHBondContact ND2-OG1 2.74Å; N186-T192 PolarHBondContact OD1-OG1 2.89Å |
| 193 | V | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 124.7 | 172.6 | 179.8 | 0 | 0 | 0 | 0 | 107.6 | S158 A159 A164 P165 I167 F183 V191 K195 | S158-V193 VanDerWaalsContact CA-O 3.3Å; S158-V193 WeakPolarHBondContact CA-O 3.42Å; S158-V193 PolarHBondContact OG-O 2.93Å; A159-V193 PolarHBondContact N-O 3.44Å; A159-V193 PolarHBondContact O-N 2.83Å; A164-V193 HydrophobicContact CB-CG2 3.87Å; P165-V193 HydrophobicContact CG-CB 4.36Å; P165-V193 HydrophobicContact CG-CG2 4.16Å; I167-V193 HydrophobicContact CD1-CB 4.4Å; I167-V193 HydrophobicContact CD1-CG1 4.11Å; I167-V193 HydrophobicContact CG1-CG1 4.49Å; F183-V193 HydrophobicContact CD1-CG2 3.78Å; F183-V193 HydrophobicContact CE1-CG1 4.27Å; F183-V193 HydrophobicContact CE1-CG2 3.75Å; V191-V193 HydrophobicContact CG1-CG2 4.32Å; V193-K195 HydrophobicContact CG1-CG 4.47Å |
| 194 | T | 98.1 | Very high | 94.8 | Very high | 31 Ų | 31 | 44 Ų | 44 | 19% | 0.19 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 124.1 | 174.6 | -61.5 | 0 | 0 | 0 | 0 | 109.3 | L156 C157 S158 Y182 | L156-T194 HydrophobicContact CD1-CG2 4.2Å; L156-T194 HydrophobicContact CD2-CG2 4.48Å; L156-T194 HydrophobicContact CG-CG2 4.11Å; C157-T194 CarbonylContact O-C 3.59Å; C157-T194 WeakPolarHBondContact O-CA 3.45Å; S158-T194 PolarHBondContact OG-OG1 2.86Å; Y182-T194 PolarHBondContact N-O 2.8Å; Y182-T194 PolarHBondContact O-N 2.74Å |
| 195 | K | 97.6 | Very high | 94.5 | Very high | 23 Ų | 23 | 46.2 Ų | 46.2 | 10% | 0.1 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 139.1 | 174.3 | -64.7 | -163.5 | -169.7 | -143.8 | 0 | 111.1 | C157 I167 Q180 E181 V193 Y197 | C157-K195 PolarHBondContact N-O 3.45Å; C157-K195 PolarHBondContact O-N 2.84Å; I167-K195 HydrophobicContact CB-CD 3.97Å; I167-K195 HydrophobicContact CB-CG 4.35Å; I167-K195 HydrophobicContact CG2-CD 4.26Å; I167-K195 WeakPolarHBondContact O-CD 3.42Å; I167-K195 VanDerWaalsContact O-CE 3.26Å; I167-K195 WeakPolarHBondContact O-CE 3.17Å; I167-K195 PolarHBondContact O-NZ 3.4Å; Q180-K195 CarbonylContact O-C 3.58Å; Q180-K195 VanDerWaalsContact O-CA 3.27Å; Q180-K195 WeakPolarHBondContact O-CA 3.22Å; E181-K195 HydrophobicContact CB-CG 4.24Å; E181-K195 HydrophobicContact CG-CD 4.43Å; E181-K195 HydrophobicContact CG-CG 4.07Å; E181-K195 WeakPolarHBondContact OE1-CE 3.26Å; E181-K195 IonicContact OE1-NZ 3.23Å; E181-K195 PolarHBondContact OE1-NZ 3.35Å; E181-K195 WeakPolarHBondContact OE2-CE 3.29Å; E181-K195 IonicContact OE2-NZ 2.83Å; E181-K195 PolarHBondContact OE2-NZ 2.9Å; V193-K195 HydrophobicContact CG1-CG 4.47Å; K195-Y197 HydrophobicContact CB-CD2 4.23Å; K195-Y197 HydrophobicContact CB-CE2 3.52Å; K195-Y197 HydrophobicContact CD-CE2 4.23Å; K195-Y197 WeakPolarHBondContact CD-OH 3.37Å |
| 196 | I | 96.1 | Very high | 94.2 | Very high | 32 Ų | 32 | 43 Ų | 43 | 16% | 0.164 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 118.9 | 176.6 | -53 | -179.7 | 0 | 0 | 0 | 108.5 | S154 L155 L156 P179 Q180 Y182 | S154-I196 WeakPolarHBondContact OG-CG2 3.34Å; L155-I196 WeakPolarHBondContact O-CA 3.45Å; L156-I196 HydrophobicContact CD1-CD1 4.42Å; L156-I196 HydrophobicContact CD1-CG1 4.37Å; P179-I196 VanDerWaalsContact CA-O 3.31Å; P179-I196 WeakPolarHBondContact CA-O 3.48Å; Q180-I196 HydrophobicContact CB-CB 4.33Å; Q180-I196 PolarHBondContact N-O 2.94Å; Q180-I196 PolarHBondContact O-N 3.18Å; Y182-I196 HydrophobicContact CE2-CD1 4.08Å |
| 197 | Y | 95.3 | Very high | 94.1 | Very high | 14 Ų | 14 | 44.1 Ų | 44.1 | 6% | 0.055 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 128.4 | 179.3 | -64.1 | -98.6 | 0 | 0 | 0 | 110 | S154 L155 I167 V169 T175 P179 K195 I199 | S154-Y197 WeakPolarHBondContact CA-O 3.39Å; L155-Y197 PolarHBondContact N-O 3.18Å; L155-Y197 PolarHBondContact O-N 3.23Å; I167-Y197 PolarHBondContact O-OH 3.38Å; V169-Y197 HydrophobicContact CB-CD1 4.08Å; V169-Y197 HydrophobicContact CB-CE1 3.89Å; V169-Y197 HydrophobicContact CB-CE2 4.47Å; V169-Y197 HydrophobicContact CB-CG 4.48Å; V169-Y197 HydrophobicContact CG2-CD1 3.93Å; V169-Y197 HydrophobicContact CG2-CD2 3.66Å; V169-Y197 HydrophobicContact CG2-CE1 3.75Å; V169-Y197 HydrophobicContact CG2-CE2 3.45Å; V169-Y197 VanDerWaalsContact CG2-CE2 3.45Å; V169-Y197 HydrophobicContact CG2-CG 3.9Å; T175-Y197 HydrophobicContact CG2-CD1 4.02Å; P179-Y197 HydrophobicContact CB-CD1 3.75Å; P179-Y197 HydrophobicContact CB-CD2 4.49Å; P179-Y197 HydrophobicContact CB-CE1 3.63Å; P179-Y197 HydrophobicContact CB-CE2 4.39Å; P179-Y197 HydrophobicContact CB-CG 4.17Å; P179-Y197 HydrophobicContact CG-CD1 4.31Å; P179-Y197 HydrophobicContact CG-CE1 3.81Å; K195-Y197 HydrophobicContact CB-CD2 4.23Å; K195-Y197 HydrophobicContact CB-CE2 3.52Å; K195-Y197 HydrophobicContact CD-CE2 4.23Å; K195-Y197 WeakPolarHBondContact CD-OH 3.37Å; Y197-I199 PolarHBondContact O-N 3.14Å |
| 198 | N | 94.1 | Very high | 94 | Very high | 35 Ų | 35 | 43.4 Ų | 43.4 | 19% | 0.187 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 101.3 | 174.3 | -71 | -22.1 | 0 | 0 | 0 | 109.2 | L152 H153 T175 V176 | L152-N198 HydrophobicContact CD1-CB 4.35Å; H153-N198 CarbonylContact O-C 3.54Å; T175-N198 CarbonylContact C-O 3.53Å; T175-N198 WeakPolarHBondContact CA-O 3.31Å; T175-N198 WeakPolarHBondContact CG2-O 3.32Å; V176-N198 PolarHBondContact N-O 2.84Å |
| 199 | I | 94.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 126.7 | -172.3 | -55.1 | -55.3 | 0 | 0 | 0 | 110.8 | H153 L155 V174 Y197 L212 L229 | H153-I199 PolarHBondContact N-O 2.98Å; H153-I199 PolarHBondContact O-N 2.82Å; L155-I199 HydrophobicContact CB-CG1 3.89Å; V174-I199 HydrophobicContact CG1-CG2 3.67Å; Y197-I199 PolarHBondContact O-N 3.14Å; I199-L212 HydrophobicContact CD1-CD1 3.83Å; I199-L212 HydrophobicContact CG1-CD1 3.97Å; I199-L212 HydrophobicContact CG2-CD1 3.95Å; I199-L229 HydrophobicContact CG2-CD2 4.1Å |
| 200 | S | 92.6 | Very high | 93.8 | Very high | 16 Ų | 16 | 45.4 Ų | 45.4 | 11% | 0.112 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 110.1 | 172 | 167.7 | 0 | 0 | 0 | 0 | 110.9 | V174 K202 T203 A204 | V174-S200 WeakPolarHBondContact CG1-O 3.38Å; V174-S200 PolarHBondContact O-N 3.48Å; S200-K202 VanDerWaalsContact C-N 3.27Å; S200-K202 PolarHBondContact O-N 2.86Å; S200-T203 VanDerWaalsContact CB-OG1 3.3Å; S200-T203 WeakPolarHBondContact CB-OG1 3.36Å; S200-T203 PolarHBondContact O-N 2.91Å; S200-T203 WeakPolarHBondContact OG-CB 3.48Å; S200-T203 PolarHBondContact OG-N 3.05Å; S200-T203 PolarHBondContact OG-OG1 2.83Å; S200-A204 PolarHBondContact O-N 2.81Å |
| 201 | L | 91.2 | Very high | 93.7 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.2 | -34.7 | 173.4 | -63.3 | -177.6 | 0 | 0 | 0 | 111.9 | D151 H153 T203 A204 R205 L229 P230 | D151-L201 WeakPolarHBondContact O-CB 3.16Å; D151-L201 PolarHBondContact O-N 2.91Å; H153-L201 WeakPolarHBondContact ND1-CD1 3.49Å; L201-T203 VanDerWaalsContact C-N 3.29Å; L201-T203 PolarHBondContact O-N 2.69Å; L201-A204 PolarHBondContact O-N 2.86Å; L201-R205 WeakPolarHBondContact O-CB 3.06Å; L201-R205 WeakPolarHBondContact O-CD 3.33Å; L201-R205 WeakPolarHBondContact O-CG 3.41Å; L201-R205 PolarHBondContact O-N 2.81Å; L201-L229 HydrophobicContact CD2-CB 4.1Å; L201-L229 HydrophobicContact CD2-CD1 4.46Å; L201-L229 HydrophobicContact CD2-CD2 4.09Å; L201-L229 HydrophobicContact CD2-CG 4.46Å; L201-P230 HydrophobicContact CD1-CG 3.69Å; L201-P230 HydrophobicContact CD2-CG 3.95Å; L201-P230 HydrophobicContact CG-CG 4.48Å |
| 202 | K | 90.4 | Very high | 93.5 | Very high | 150 Ų | 150 | 46.5 Ų | 46.5 | 65% | 0.652 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -59.6 | -42.8 | 174.5 | -175.6 | 176.2 | 179.6 | 178.6 | 0 | 111.1 | S200 S206 | S200-K202 VanDerWaalsContact C-N 3.27Å; S200-K202 PolarHBondContact O-N 2.86Å; K202-S206 WeakPolarHBondContact O-CB 3.5Å; K202-S206 PolarHBondContact O-N 2.8Å; K202-S206 PolarHBondContact O-OG 3.01Å |
| 203 | T | 91 | Very high | 93.5 | Very high | 47 Ų | 47 | 47.2 Ų | 47.2 | 29% | 0.288 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.5 | -45.7 | 175.8 | -52.6 | 0 | 0 | 0 | 0 | 110.7 | Q173 S200 L201 R205 S206 L207 | Q173-T203 WeakPolarHBondContact O-CG2 3.21Å; S200-T203 VanDerWaalsContact CB-OG1 3.3Å; S200-T203 WeakPolarHBondContact CB-OG1 3.36Å; S200-T203 PolarHBondContact O-N 2.91Å; S200-T203 WeakPolarHBondContact OG-CB 3.48Å; S200-T203 PolarHBondContact OG-N 3.05Å; S200-T203 PolarHBondContact OG-OG1 2.83Å; L201-T203 VanDerWaalsContact C-N 3.29Å; L201-T203 PolarHBondContact O-N 2.69Å; T203-R205 PolarHBondContact O-N 3.03Å; T203-S206 WeakPolarHBondContact CA-OG 3.46Å; T203-S206 PolarHBondContact O-N 2.97Å; T203-S206 VanDerWaalsContact O-N 3.17Å; T203-S206 PolarHBondContact O-OG 3.2Å; T203-L207 HydrophobicContact CG2-CD1 4.11Å; T203-L207 WeakPolarHBondContact O-CG 3.3Å; T203-L207 PolarHBondContact O-N 1.91Å; T203-L207 VanDerWaalsContact O-N 3.1Å |
| 204 | A | 92 | Very high | 93.4 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -54.5 | -51.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V174 S200 L201 S206 L207 G208 L209 L229 | V174-A204 HydrophobicContact CG1-CB 3.65Å; S200-A204 PolarHBondContact O-N 2.81Å; L201-A204 PolarHBondContact O-N 2.86Å; A204-S206 VanDerWaalsContact C-N 3.34Å; A204-S206 PolarHBondContact O-N 2.84Å; A204-L207 CarbonylContact O-C 3.53Å; A204-L207 PolarHBondContact O-N 3.11Å; A204-L207 VanDerWaalsContact O-N 3.09Å; A204-G208 PolarHBondContact O-N 2.96Å; A204-G208 VanDerWaalsContact O-N 3.16Å; A204-L209 HydrophobicContact CB-CB 4.32Å; A204-L209 PolarHBondContact O-N 3.02Å; A204-L229 HydrophobicContact CB-CD1 3.42Å; A204-L229 VanDerWaalsContact CB-CD1 3.42Å |
| 205 | R | 90.1 | Very high | 93.4 | Very high | 98 Ų | 98 | 46.5 Ų | 46.5 | 37% | 0.37 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.7 | -41.8 | 177.3 | -68 | 165.6 | -168.3 | 154.1 | 4.8 | 111.8 | D151 L201 T203 L207 G208 N232 | D151-R205 IonicContact OD1-CZ 3.61Å; D151-R205 IonicContact OD1-NH1 2.69Å; D151-R205 PolarHBondContact OD1-NH1 2.88Å; D151-R205 IonicContact OD1-NH2 3.78Å; L201-R205 WeakPolarHBondContact O-CB 3.06Å; L201-R205 WeakPolarHBondContact O-CD 3.33Å; L201-R205 WeakPolarHBondContact O-CG 3.41Å; L201-R205 PolarHBondContact O-N 2.81Å; T203-R205 PolarHBondContact O-N 3.03Å; R205-L207 PolarHBondContact O-N 3.5Å; R205-G208 PolarHBondContact O-N 2.91Å; R205-N232 PolarHBondContact NH2-ND2 3.2Å; R205-N232 PolarHBondContact NH2-OD1 2.88Å; R205-N232 VanDerWaalsContact NH2-OD1 3.09Å |
| 206 | S | 91 | Very high | 93.4 | Very high | 95 Ų | 95 | 45.4 Ų | 45.4 | 66% | 0.664 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -64.7 | -24.6 | 176.9 | 73.1 | 0 | 0 | 0 | 0 | 113.9 | K202 T203 A204 | K202-S206 WeakPolarHBondContact O-CB 3.5Å; K202-S206 PolarHBondContact O-N 2.8Å; K202-S206 PolarHBondContact O-OG 3.01Å; T203-S206 WeakPolarHBondContact CA-OG 3.46Å; T203-S206 PolarHBondContact O-N 2.97Å; T203-S206 VanDerWaalsContact O-N 3.17Å; T203-S206 PolarHBondContact O-OG 3.2Å; A204-S206 VanDerWaalsContact C-N 3.34Å; A204-S206 PolarHBondContact O-N 2.84Å |
| 207 | L | 91.3 | Very high | 93.5 | Very high | 92 Ų | 92 | 47.4 Ų | 47.4 | 48% | 0.482 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 2.1 | 175.1 | -63.9 | 172.8 | 0 | 0 | 0 | 112.8 | Q173 V174 T203 A204 R205 L209 | Q173-L207 HydrophobicContact CB-CD1 4.27Å; V174-L207 HydrophobicContact CG2-CD1 4.4Å; T203-L207 HydrophobicContact CG2-CD1 4.11Å; T203-L207 WeakPolarHBondContact O-CG 3.3Å; T203-L207 PolarHBondContact O-N 1.91Å; T203-L207 VanDerWaalsContact O-N 3.1Å; A204-L207 CarbonylContact O-C 3.53Å; A204-L207 PolarHBondContact O-N 3.11Å; A204-L207 VanDerWaalsContact O-N 3.09Å; R205-L207 PolarHBondContact O-N 3.5Å; L207-L209 HydrophobicContact CB-CD1 3.72Å; L207-L209 HydrophobicContact CB-CG 3.8Å; L207-L209 HydrophobicContact CD1-CD1 3.86Å; L207-L209 HydrophobicContact CG-CD1 4.46Å; L207-L209 PolarHBondContact O-N 3.32Å |
| 208 | G | 90.4 | Very high | 93.7 | Very high | 59 Ų | 59 | 47.6 Ų | 47.6 | 61% | 0.608 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 14.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | A204 R205 | A204-G208 PolarHBondContact O-N 2.96Å; A204-G208 VanDerWaalsContact O-N 3.16Å; R205-G208 PolarHBondContact O-N 2.91Å |
| 209 | L | 91.3 | Very high | 93.7 | Very high | 47 Ų | 47 | 49 Ų | 49 | 25% | 0.246 | 28% | 0.276 | C | S | . | . | trans | -82.7 | 126.7 | -175 | -60.4 | 168.1 | 0 | 0 | 0 | 111.2 | P171 V174 A204 L207 | P171-L209 HydrophobicContact CB-CD1 4.27Å; P171-L209 HydrophobicContact CG-CD1 3.66Å; P171-L209 HydrophobicContact CG-CD2 3.92Å; P171-L209 HydrophobicContact CG-CG 4.46Å; V174-L209 HydrophobicContact CG2-CD1 3.52Å; A204-L209 HydrophobicContact CB-CB 4.32Å; A204-L209 PolarHBondContact O-N 3.02Å; L207-L209 HydrophobicContact CB-CD1 3.72Å; L207-L209 HydrophobicContact CB-CG 3.8Å; L207-L209 HydrophobicContact CD1-CD1 3.86Å; L207-L209 HydrophobicContact CG-CD1 4.46Å; L207-L209 PolarHBondContact O-N 3.32Å | ||
| 210 | Q | 91.3 | Very high | 93.8 | Very high | 136 Ų | 136 | 51.1 Ų | 51.1 | 64% | 0.636 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -103.1 | -23.9 | 172.5 | -65.7 | 176.4 | 57.9 | 0 | 0 | 112.1 | L229 | Q210-L229 WeakPolarHBondContact O-CB 3.27Å; Q210-L229 PolarHBondContact O-N 3.46Å |
| 211 | D | 94.1 | Very high | 94 | Very high | 69 Ų | 69 | 54.4 Ų | 54.4 | 37% | 0.369 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 151.7 | -175.6 | -65.9 | -36.4 | 0 | 0 | 0 | 110.8 | I226 R228 | D211-I226 HydrophobicContact CB-CG2 3.69Å; D211-R228 WeakPolarHBondContact OD1-CA 3Å; D211-R228 VanDerWaalsContact OD1-CG 3.31Å; D211-R228 WeakPolarHBondContact OD1-CG 3.47Å |
| 212 | L | 95.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 151 | 164.5 | -60.9 | 179.1 | 0 | 0 | 0 | 109.7 | L155 V169 V174 I199 I226 V227 L229 | L155-L212 HydrophobicContact CD2-CD1 4.02Å; V169-L212 HydrophobicContact CG1-CB 4.45Å; V169-L212 HydrophobicContact CG1-CD1 4.29Å; V174-L212 HydrophobicContact CB-CD2 4.27Å; V174-L212 HydrophobicContact CG1-CD2 4.46Å; V174-L212 HydrophobicContact CG2-CD2 3.95Å; I199-L212 HydrophobicContact CD1-CD1 3.83Å; I199-L212 HydrophobicContact CG1-CD1 3.97Å; I199-L212 HydrophobicContact CG2-CD1 3.95Å; L212-I226 CarbonylContact O-C 3.03Å; L212-I226 WeakPolarHBondContact O-CA 2.97Å; L212-V227 HydrophobicContact CB-CB 4.49Å; L212-V227 PolarHBondContact N-O 2.76Å; L212-V227 PolarHBondContact O-N 2.84Å; L212-L229 HydrophobicContact CD1-CD2 3.86Å; L212-L229 HydrophobicContact CD2-CD1 4.29Å; L212-L229 HydrophobicContact CG-CD1 4.1Å; L212-L229 HydrophobicContact CG-CD2 4Å; L212-L229 HydrophobicContact CG-CG 4.16Å |
| 213 | V | 97.1 | Very high | 94.6 | Very high | 43 Ų | 43 | 54.8 Ų | 54.8 | 26% | 0.261 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 123.1 | 169.7 | -177.1 | 0 | 0 | 0 | 0 | 108.5 | V169 Y170 E224 | V169-V213 CarbonylContact C-O 3.53Å; V169-V213 WeakPolarHBondContact CA-O 3.45Å; Y170-V213 PolarHBondContact N-O 3.12Å; Y170-V213 PolarHBondContact O-N 2.68Å; V213-E224 HydrophobicContact CG1-CB 4.16Å |
| 214 | V | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 122.2 | 168.5 | -168.4 | 0 | 0 | 0 | 0 | 107.6 | L139 T141 L155 C157 I167 S168 V169 E224 K225 V227 | L139-V214 HydrophobicContact CD1-CG1 4.35Å; L139-V214 HydrophobicContact CD2-CB 4.05Å; L139-V214 HydrophobicContact CD2-CG1 3.82Å; L139-V214 WeakPolarHBondContact CD2-O 3.39Å; T141-V214 HydrophobicContact CG2-CB 4.02Å; T141-V214 HydrophobicContact CG2-CG1 4.16Å; T141-V214 HydrophobicContact CG2-CG2 3.86Å; L155-V214 HydrophobicContact CD2-CG2 4.01Å; C157-V214 HydrophobicContact CB-CG1 4.11Å; C157-V214 WeakPolarHBondContact SG-CG1 3.38Å; I167-V214 HydrophobicContact CG2-CG1 4.05Å; S168-V214 WeakPolarHBondContact O-CA 3.24Å; S168-V214 WeakPolarHBondContact O-CG1 3.21Å; V169-V214 HydrophobicContact CG2-CB 4.49Å; V169-V214 HydrophobicContact CG2-CG1 4.13Å; V169-V214 HydrophobicContact CG2-CG2 4.14Å; V214-E224 CarbonylContact O-C 3.58Å; V214-E224 WeakPolarHBondContact O-CA 3.35Å; V214-K225 PolarHBondContact N-O 2.84Å; V214-K225 PolarHBondContact O-N 3.44Å; V214-V227 HydrophobicContact CG2-CG2 3.71Å |
| 215 | S | 97.8 | Very high | 95.2 | Very high | 16 Ų | 16 | 62.9 Ų | 62.9 | 11% | 0.112 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 127.4 | -179.8 | -49.7 | 0 | 0 | 0 | 0 | 109.7 | S168 E224 | S168-S215 PolarHBondContact N-O 2.67Å; S168-S215 PolarHBondContact O-N 2.84Å; S168-S215 PolarHBondContact OG-O 3.12Å; S215-E224 PolarHBondContact OG-OE1 2.9Å |
| 216 | M | 97.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 130.4 | 169.3 | -178.9 | -177.9 | 65.2 | 0 | 0 | 109.4 | V136 S137 L139 A159 P165 G166 N222 E223 | V136-M216 HydrophobicContact CG1-CE 4.33Å; V136-M216 HydrophobicContact CG2-CE 3.75Å; V136-M216 HydrophobicContact CG2-SD 3.61Å; S137-M216 WeakPolarHBondContact O-CE 3.44Å; L139-M216 HydrophobicContact CB-CB 4.34Å; L139-M216 HydrophobicContact CD1-CB 4.28Å; L139-M216 HydrophobicContact CD2-CB 4.03Å; L139-M216 HydrophobicContact CG-CB 4.44Å; A159-M216 HydrophobicContact CB-SD 3.41Å; A159-M216 WeakPolarHBondContact CB-SD 3.37Å; P165-M216 HydrophobicContact CB-CG 3.89Å; P165-M216 HydrophobicContact CB-SD 3.98Å; P165-M216 HydrophobicContact CG-SD 4.43Å; G166-M216 CarbonylContact O-C 3.57Å; G166-M216 VanDerWaalsContact O-CA 3.28Å; G166-M216 WeakPolarHBondContact O-CA 3.4Å; M216-N222 VanDerWaalsContact O-CA 3.28Å; M216-N222 WeakPolarHBondContact O-CA 3.34Å; M216-E223 HydrophobicContact CB-CB 4.38Å; M216-E223 HydrophobicContact CE-CB 3.73Å; M216-E223 PolarHBondContact N-O 2.87Å; M216-E223 PolarHBondContact O-N 2.9Å |
| 217 | T | 97.9 | Very high | 95.8 | Very high | 74 Ų | 74 | 59.7 Ų | 59.7 | 45% | 0.454 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 127.4 | 175.2 | 55.1 | 0 | 0 | 0 | 0 | 111.3 | G166 N222 | G166-T217 PolarHBondContact N-O 2.67Å; G166-T217 PolarHBondContact O-N 2.87Å; T217-N222 VanDerWaalsContact CA-OD1 3.31Å; T217-N222 WeakPolarHBondContact CA-OD1 3.38Å |
| 218 | H | 98 | Very high | 95.9 | Very high | 18 Ų | 18 | 64.9 Ų | 64.9 | 8% | 0.083 | 34% | 0.336 | C | S | . | . | trans | -153.2 | 154.1 | 177.9 | -168.4 | -97 | 0 | 0 | 0 | 112.3 | T135 V136 K162 P163 P165 V220 R221 N222 | T135-H218 PolarHBondContact N-CE1 2.75Å; T135-H218 VanDerWaalsContact N-CE1 3.32Å; T135-H218 PolarHBondContact O-CE1 2.79Å; T135-H218 PolarHBondContact O-NE2 2.89Å; V136-H218 HydrophobicContact CB-CB 4.24Å; V136-H218 HydrophobicContact CG1-CB 4.27Å; V136-H218 HydrophobicContact CG2-CB 4.06Å; K162-H218 PolarHBondContact N-NE2 3.32Å; K162-H218 VanDerWaalsContact N-NE2 3.2Å; K162-H218 PolarHBondContact O-CE1 3.11Å; K162-H218 PolarHBondContact O-NE2 2.85Å; P163-H218 VanDerWaalsContact CA-NE2 3.28Å; P163-H218 WeakPolarHBondContact CA-NE2 3.28Å; P163-H218 WeakPolarHBondContact CD-NE2 3.23Å; P163-H218 WeakPolarHBondContact CG-NE2 3.49Å; P163-H218 PolarHBondContact O-CD2 2.7Å; P163-H218 VanDerWaalsContact O-CD2 3.29Å; P163-H218 PolarHBondContact O-NE2 2.85Å; P165-H218 HydrophobicContact CB-CB 4.37Å; H218-V220 WeakPolarHBondContact CE1-CG2 3.25Å; H218-V220 PolarHBondContact ND1-N 2.76Å; H218-V220 PolarHBondContact O-N 2.92Å; H218-R221 WeakPolarHBondContact CB-O 3.33Å; H218-R221 PolarHBondContact N-O 2.85Å; H218-R221 CarbonylContact O-C 3.53Å; H218-R221 PolarHBondContact O-N 2.88Å; H218-N222 PolarHBondContact N-OD1 2.98Å; H218-N222 VanDerWaalsContact N-OD1 3.09Å; H218-N222 PolarHBondContact O-OD1 2.9Å | ||
| 219 | S | 95.6 | Very high | 96 | Very high | 63 Ų | 63 | 62.8 Ų | 62.8 | 44% | 0.441 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -64 | -18.1 | 179.7 | 55.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 220 | V | 96.5 | Very high | 95.8 | Very high | 45 Ų | 45 | 62.9 Ų | 62.9 | 27% | 0.273 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -88.9 | -47.8 | 175.8 | 175.9 | 0 | 0 | 0 | 0 | 111.3 | V36 I134 V136 H218 | V36-V220 HydrophobicContact CG1-CG1 3.82Å; V36-V220 HydrophobicContact CG1-CG2 4.4Å; V36-V220 HydrophobicContact CG2-CG1 4.08Å; V36-V220 HydrophobicContact CG2-CG2 4.16Å; I134-V220 HydrophobicContact CB-CG2 4.05Å; I134-V220 HydrophobicContact CD1-CG2 3.63Å; I134-V220 HydrophobicContact CG1-CG2 3.68Å; V136-V220 HydrophobicContact CG1-CB 4.05Å; V136-V220 HydrophobicContact CG1-CG1 4.35Å; H218-V220 WeakPolarHBondContact CE1-CG2 3.25Å; H218-V220 PolarHBondContact ND1-N 2.76Å; H218-V220 PolarHBondContact O-N 2.92Å |
| 221 | R | 96.3 | Very high | 95.1 | Very high | 86 Ų | 86 | 61.1 Ų | 61.1 | 33% | 0.325 | 31% | 0.312 | S | S | . | . | trans | -156.6 | 153 | 175.9 | 68.6 | 178.2 | -167.8 | -98 | 12.3 | 111 | V136 S137 E138 H218 E223 | V136-R221 HydrophobicContact CG1-CG 3.73Å; V136-R221 PolarHBondContact O-NH1 2.94Å; S137-R221 PolarHBondContact O-NH2 2.87Å; E138-R221 VanDerWaalsContact N-NH2 3.14Å; H218-R221 WeakPolarHBondContact CB-O 3.33Å; H218-R221 PolarHBondContact N-O 2.85Å; H218-R221 CarbonylContact O-C 3.53Å; H218-R221 PolarHBondContact O-N 2.88Å; R221-E223 IonicContact CZ-OE2 3.59Å; R221-E223 VanDerWaalsContact CZ-OE2 3.23Å; R221-E223 IonicContact NE-OE2 3.79Å; R221-E223 PolarHBondContact NE-OE2 3.46Å; R221-E223 IonicContact NH2-OE2 2.71Å; R221-E223 PolarHBondContact NH2-OE2 2.71Å | ||
| 222 | N | 97.1 | Very high | 93.6 | Very high | 116 Ų | 116 | 61.7 Ų | 61.7 | 62% | 0.62 | 32% | 0.315 | S | S | * | . | trans | -98.5 | 147.5 | 161.9 | -59.6 | -29.6 | 0 | 0 | 0 | 108.4 | M216 T217 H218 | M216-N222 VanDerWaalsContact O-CA 3.28Å; M216-N222 WeakPolarHBondContact O-CA 3.34Å; T217-N222 VanDerWaalsContact CA-OD1 3.31Å; T217-N222 WeakPolarHBondContact CA-OD1 3.38Å; H218-N222 PolarHBondContact N-OD1 2.98Å; H218-N222 VanDerWaalsContact N-OD1 3.09Å; H218-N222 PolarHBondContact O-OD1 2.9Å | ||
| 223 | E | 97.6 | Very high | 91.5 | Very high | 43 Ų | 43 | 70.5 Ų | 70.5 | 20% | 0.201 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 135 | -175.9 | -164 | 174.9 | 123.7 | 0 | 0 | 109.1 | L139 M216 R221 | L139-E223 WeakPolarHBondContact CB-OE1 3.41Å; L139-E223 PolarHBondContact N-OE1 2.8Å; M216-E223 HydrophobicContact CB-CB 4.38Å; M216-E223 HydrophobicContact CE-CB 3.73Å; M216-E223 PolarHBondContact N-O 2.87Å; M216-E223 PolarHBondContact O-N 2.9Å; R221-E223 IonicContact CZ-OE2 3.59Å; R221-E223 VanDerWaalsContact CZ-OE2 3.23Å; R221-E223 IonicContact NE-OE2 3.79Å; R221-E223 PolarHBondContact NE-OE2 3.46Å; R221-E223 IonicContact NH2-OE2 2.71Å; R221-E223 PolarHBondContact NH2-OE2 2.71Å |
| 224 | E | 97.7 | Very high | 89.2 | Confident | 141 Ų | 141 | 71.1 Ų | 71.1 | 66% | 0.659 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 139.5 | 177.9 | -59.2 | -157.6 | 132.7 | 0 | 0 | 110.6 | V213 V214 S215 | V213-E224 HydrophobicContact CG1-CB 4.16Å; V214-E224 CarbonylContact O-C 3.58Å; V214-E224 WeakPolarHBondContact O-CA 3.35Å; S215-E224 PolarHBondContact OG-OE1 2.9Å |
| 225 | K | 97.4 | Very high | 86.7 | Confident | 77 Ų | 77 | 74.1 Ų | 74.1 | 34% | 0.335 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 122.5 | -174.5 | -166.7 | 155.4 | -178.7 | 166.1 | 0 | 111 | L139 T141 V214 | L139-K225 HydrophobicContact CD2-CB 3.96Å; L139-K225 VanDerWaalsContact O-CD 3.29Å; L139-K225 WeakPolarHBondContact O-CD 3.31Å; L139-K225 PolarHBondContact O-NZ 2.85Å; T141-K225 HydrophobicContact CG2-CB 4.37Å; T141-K225 HydrophobicContact CG2-CD 3.96Å; T141-K225 HydrophobicContact CG2-CG 4.27Å; T141-K225 WeakPolarHBondContact OG1-CD 3.24Å; T141-K225 VanDerWaalsContact OG1-CE 3.25Å; T141-K225 WeakPolarHBondContact OG1-CE 3.12Å; V214-K225 PolarHBondContact N-O 2.84Å; V214-K225 PolarHBondContact O-N 3.44Å |
| 226 | I | 96.8 | Very high | 84.2 | Confident | 114 Ų | 114 | 79 Ų | 79 | 59% | 0.585 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 120.1 | 178.6 | -54.9 | 179.3 | 0 | 0 | 0 | 108.7 | D211 L212 | D211-I226 HydrophobicContact CB-CG2 3.69Å; L212-I226 CarbonylContact O-C 3.03Å; L212-I226 WeakPolarHBondContact O-CA 2.97Å |
| 227 | V | 96.4 | Very high | 81.9 | Confident | 13 Ų | 13 | 84.4 Ų | 84.4 | 8% | 0.079 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 111.2 | 176.4 | 176.2 | 0 | 0 | 0 | 0 | 108.2 | T141 L143 L155 L212 V214 | T141-V227 HydrophobicContact CG2-CG2 4.16Å; L143-V227 HydrophobicContact CB-CG1 4.19Å; L143-V227 HydrophobicContact CD2-CG1 4.27Å; L155-V227 HydrophobicContact CD1-CG1 4.12Å; L155-V227 HydrophobicContact CD1-CG2 4.21Å; L212-V227 HydrophobicContact CB-CB 4.49Å; L212-V227 PolarHBondContact N-O 2.76Å; L212-V227 PolarHBondContact O-N 2.84Å; V214-V227 HydrophobicContact CG2-CG2 3.71Å |
| 228 | R | 94.3 | Very high | 80.3 | Confident | 201 Ų | 201 | 85.3 Ų | 85.3 | 76% | 0.758 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 132.3 | 178.3 | -52.3 | -160.2 | 172.4 | 140 | 1 | 110.6 | D211 | D211-R228 WeakPolarHBondContact OD1-CA 3Å; D211-R228 VanDerWaalsContact OD1-CG 3.31Å; D211-R228 WeakPolarHBondContact OD1-CG 3.47Å |
| 229 | L | 91.9 | Very high | 78.7 | Confident | 15 Ų | 15 | 89.6 Ų | 89.6 | 8% | 0.079 | 50% | 0.497 | C | S | . | . | trans | -85.3 | 145 | 175.1 | -63 | 177.5 | 0 | 0 | 0 | 110.6 | L143 I199 L201 A204 Q210 L212 V231 | L143-L229 HydrophobicContact CD2-CD2 4.11Å; I199-L229 HydrophobicContact CG2-CD2 4.1Å; L201-L229 HydrophobicContact CD2-CB 4.1Å; L201-L229 HydrophobicContact CD2-CD1 4.46Å; L201-L229 HydrophobicContact CD2-CD2 4.09Å; L201-L229 HydrophobicContact CD2-CG 4.46Å; A204-L229 HydrophobicContact CB-CD1 3.42Å; A204-L229 VanDerWaalsContact CB-CD1 3.42Å; Q210-L229 WeakPolarHBondContact O-CB 3.27Å; Q210-L229 PolarHBondContact O-N 3.46Å; L212-L229 HydrophobicContact CD1-CD2 3.86Å; L212-L229 HydrophobicContact CD2-CD1 4.29Å; L212-L229 HydrophobicContact CG-CD1 4.1Å; L212-L229 HydrophobicContact CG-CD2 4Å; L212-L229 HydrophobicContact CG-CG 4.16Å; L229-V231 PolarHBondContact O-N 3.11Å; L229-V231 VanDerWaalsContact O-N 3.08Å | ||
| 230 | P | 86.3 | Confident | 77.5 | Confident | 49 Ų | 49 | 90.9 Ų | 90.9 | 32% | 0.318 | 51% | 0.505 | S | S | . | . | trans | -64.4 | 112.9 | 173.9 | 26.2 | -34.7 | 0 | 0 | 0 | 110.7 | L201 N232 | L201-P230 HydrophobicContact CD1-CG 3.69Å; L201-P230 HydrophobicContact CD2-CG 3.95Å; L201-P230 HydrophobicContact CG-CG 4.48Å; P230-N232 PolarHBondContact O-N 3.46Å | ||
| 231 | V | 77.1 | Confident | 76.6 | Confident | 99 Ų | 99 | 93.4 Ų | 93.4 | 60% | 0.6 | 52% | 0.516 | S | S | * | . | trans | -74 | 112 | 165.5 | 179.5 | 0 | 0 | 0 | 0 | 107.1 | L229 Q233 | L229-V231 PolarHBondContact O-N 3.11Å; L229-V231 VanDerWaalsContact O-N 3.08Å; V231-Q233 VanDerWaalsContact C-N 3.34Å; V231-Q233 PolarHBondContact O-N 2.9Å | ||
| 232 | N | 63 | Low | 75.6 | Confident | 81 Ų | 81 | 93.8 Ų | 93.8 | 43% | 0.433 | 53% | 0.525 | S | S | . | . | trans | -64.2 | 103.1 | 163.9 | -77.7 | 19.5 | 0 | 0 | 0 | 106.6 | R205 P230 G234 | R205-N232 PolarHBondContact NH2-ND2 3.2Å; R205-N232 PolarHBondContact NH2-OD1 2.88Å; R205-N232 VanDerWaalsContact NH2-OD1 3.09Å; P230-N232 PolarHBondContact O-N 3.46Å; N232-G234 PolarHBondContact O-N 2.86Å | ||
| 233 | Q | 51.1 | Low | 74.8 | Confident | 185 Ų | 185 | 97.4 Ų | 97.4 | 86% | 0.864 | 53% | 0.53 | S | S | * | . | trans | -68.6 | 65.5 | 154.6 | -68.6 | -173.6 | 14.6 | 0 | 0 | 108.1 | V231 G235 | V231-Q233 VanDerWaalsContact C-N 3.34Å; V231-Q233 PolarHBondContact O-N 2.9Å; Q233-G235 PolarHBondContact O-N 2.78Å | ||
| 234 | G | 48.7 | Very low | 74.2 | Confident | 57 Ų | 57 | 100.3 Ų | 100.3 | 59% | 0.588 | 55% | 0.545 | S | S | * | . | trans | -58.8 | 101.8 | 149 | 0 | 0 | 0 | 0 | 0 | 104.5 | N232 T236 | N232-G234 PolarHBondContact O-N 2.86Å; G234-T236 VanDerWaalsContact C-N 3.3Å; G234-T236 PolarHBondContact O-N 2.87Å | ||
| 235 | G | 46.3 | Very low | 73.7 | Confident | 63 Ų | 63 | 98.2 Ų | 98.2 | 65% | 0.649 | 54% | 0.537 | S | S | * | . | trans | -59.1 | 98.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | Q233 T237 | Q233-G235 PolarHBondContact O-N 2.78Å; G235-T237 PolarHBondContact O-N 2.9Å | ||
| 236 | T | 44.3 | Very low | 73.2 | Confident | 119 Ų | 119 | 97.2 Ų | 97.2 | 73% | 0.73 | 54% | 0.537 | S | S | * | . | trans | -69.4 | 79.8 | 169.3 | 23.6 | 0 | 0 | 0 | 0 | 107 | G234 N238 | G234-T236 VanDerWaalsContact C-N 3.3Å; G234-T236 PolarHBondContact O-N 2.87Å; T236-N238 PolarHBondContact O-N 2.85Å | ||
| 237 | T | 50.6 | Low | 72.9 | Confident | 114 Ų | 114 | 93.6 Ų | 93.6 | 70% | 0.699 | 52% | 0.524 | S | S | * | . | trans | -55.4 | 83.3 | 149.1 | 43.5 | 0 | 0 | 0 | 0 | 106.1 | G235 P239 | G235-T237 PolarHBondContact O-N 2.9Å; T237-P239 WeakPolarHBondContact O-CD 3.26Å | ||
| 238 | N | 62.6 | Low | 72.7 | Confident | 93 Ų | 93 | 97.2 Ų | 97.2 | 50% | 0.497 | 54% | 0.542 | S | S | . | . | trans | -47.6 | 112.2 | -178.4 | -96.8 | -57.5 | 0 | 0 | 0 | 107.2 | T236 C240 L241 N242 | T236-N238 PolarHBondContact O-N 2.85Å; N238-C240 PolarHBondContact O-N 2.95Å; N238-C240 VanDerWaalsContact O-N 3.11Å; N238-L241 HydrophobicContact CB-CB 3.59Å; N238-L241 WeakPolarHBondContact O-CA 3.42Å; N238-L241 WeakPolarHBondContact O-CB 3.16Å; N238-L241 PolarHBondContact O-N 2.02Å; N238-N242 PolarHBondContact O-N 3.49Å | ||
| 239 | P | 66.4 | Low | 72.7 | Confident | 108 Ų | 108 | 90.3 Ų | 90.3 | 70% | 0.701 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59 | -34 | -172.3 | -27.6 | 36.1 | 0 | 0 | 0 | 110.8 | T237 W243 | T237-P239 WeakPolarHBondContact O-CD 3.26Å; P239-W243 WeakPolarHBondContact O-CB 3.26Å; P239-W243 PolarHBondContact O-N 2.8Å |
| 240 | C | 70.4 | Confident | 72.8 | Confident | 90 Ų | 90 | 96.5 Ų | 96.5 | 61% | 0.608 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.4 | -41.7 | 171.6 | -168.6 | 0 | 0 | 0 | 0 | 113.8 | N238 W243 M244 | N238-C240 PolarHBondContact O-N 2.95Å; N238-C240 VanDerWaalsContact O-N 3.11Å; C240-W243 PolarHBondContact O-N 2.86Å; C240-M244 WeakPolarHBondContact O-CB 3.49Å; C240-M244 PolarHBondContact O-N 2.84Å |
| 241 | L | 75.9 | Confident | 73.3 | Confident | 98 Ų | 98 | 99 Ų | 99 | 51% | 0.513 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.9 | -43.1 | 177.7 | -169.2 | 78.4 | 0 | 0 | 0 | 110.9 | N238 W243 M244 I245 | N238-L241 HydrophobicContact CB-CB 3.59Å; N238-L241 WeakPolarHBondContact O-CA 3.42Å; N238-L241 WeakPolarHBondContact O-CB 3.16Å; N238-L241 PolarHBondContact O-N 2.02Å; L241-W243 VanDerWaalsContact C-N 3.34Å; L241-M244 WeakPolarHBondContact O-CB 3.17Å; L241-M244 PolarHBondContact O-N 3.5Å; L241-I245 HydrophobicContact CG-CD1 4.25Å; L241-I245 VanDerWaalsContact O-CG1 3.29Å; L241-I245 WeakPolarHBondContact O-CG1 3.4Å; L241-I245 PolarHBondContact O-N 2.85Å |
| 242 | N | 75.3 | Confident | 74.1 | Confident | 93 Ų | 93 | 98.9 Ų | 98.9 | 50% | 0.497 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.3 | -37.9 | 177.7 | -154.9 | 25.3 | 0 | 0 | 0 | 111.2 | N238 I245 T246 | N238-N242 PolarHBondContact O-N 3.49Å; N242-I245 PolarHBondContact O-N 2.67Å; N242-T246 WeakPolarHBondContact O-CG2 3.23Å; N242-T246 PolarHBondContact O-N 3.2Å; N242-T246 PolarHBondContact O-OG1 2.91Å |
| 243 | W | 81.8 | Confident | 75.7 | Confident | 193 Ų | 193 | 100.7 Ų | 100.7 | 73% | 0.731 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.2 | -38.9 | 171.7 | -175.6 | -92.1 | 0 | 0 | 0 | 113.1 | P239 C240 L241 T246 A247 | P239-W243 WeakPolarHBondContact O-CB 3.26Å; P239-W243 PolarHBondContact O-N 2.8Å; C240-W243 PolarHBondContact O-N 2.86Å; L241-W243 VanDerWaalsContact C-N 3.34Å; W243-T246 WeakPolarHBondContact CA-OG1 3.16Å; W243-T246 PolarHBondContact O-OG1 3.03Å; W243-T246 VanDerWaalsContact O-OG1 3.07Å; W243-A247 VanDerWaalsContact O-CB 3.24Å; W243-A247 WeakPolarHBondContact O-CB 3.44Å; W243-A247 PolarHBondContact O-N 2.83Å |
| 244 | M | 83.9 | Confident | 77.8 | Confident | 104 Ų | 104 | 98.6 Ų | 98.6 | 51% | 0.512 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.4 | -45.7 | 171 | -88.7 | -179.6 | 60.5 | 0 | 0 | 111.4 | C240 L241 A247 I248 | C240-M244 WeakPolarHBondContact O-CB 3.49Å; C240-M244 PolarHBondContact O-N 2.84Å; L241-M244 WeakPolarHBondContact O-CB 3.17Å; L241-M244 PolarHBondContact O-N 3.5Å; M244-A247 PolarHBondContact O-N 2.84Å; M244-I248 WeakPolarHBondContact O-CB 3.27Å; M244-I248 WeakPolarHBondContact O-CD1 3.22Å; M244-I248 WeakPolarHBondContact O-CG1 3.13Å; M244-I248 PolarHBondContact O-N 2.8Å |
| 245 | I | 87.4 | Confident | 80 | Confident | 97 Ų | 97 | 100.5 Ų | 100.5 | 50% | 0.497 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.8 | -44.7 | -179.9 | -68.4 | 162.9 | 0 | 0 | 0 | 110.9 | L241 N242 A249 | L241-I245 HydrophobicContact CG-CD1 4.25Å; L241-I245 VanDerWaalsContact O-CG1 3.29Å; L241-I245 WeakPolarHBondContact O-CG1 3.4Å; L241-I245 PolarHBondContact O-N 2.85Å; N242-I245 PolarHBondContact O-N 2.67Å; I245-A249 WeakPolarHBondContact O-CB 3.44Å; I245-A249 PolarHBondContact O-N 2.05Å |
| 246 | T | 87.5 | Confident | 82.3 | Confident | 56 Ų | 56 | 100.9 Ų | 100.9 | 34% | 0.344 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.4 | -43.2 | 176.9 | 54.9 | 0 | 0 | 0 | 0 | 112.1 | N242 W243 I248 A249 F250 | N242-T246 WeakPolarHBondContact O-CG2 3.23Å; N242-T246 PolarHBondContact O-N 3.2Å; N242-T246 PolarHBondContact O-OG1 2.91Å; W243-T246 WeakPolarHBondContact CA-OG1 3.16Å; W243-T246 PolarHBondContact O-OG1 3.03Å; W243-T246 VanDerWaalsContact O-OG1 3.07Å; T246-I248 PolarHBondContact O-N 3.35Å; T246-A249 PolarHBondContact O-N 2.88Å; T246-F250 WeakPolarHBondContact O-CD2 3.18Å; T246-F250 PolarHBondContact O-N 2.84Å |
| 247 | A | 90.1 | Very high | 84.7 | Confident | 38 Ų | 38 | 98.3 Ų | 98.3 | 31% | 0.314 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60 | -44.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | W243 M244 A249 F250 I251 | W243-A247 VanDerWaalsContact O-CB 3.24Å; W243-A247 WeakPolarHBondContact O-CB 3.44Å; W243-A247 PolarHBondContact O-N 2.83Å; M244-A247 PolarHBondContact O-N 2.84Å; A247-A249 PolarHBondContact O-N 2.86Å; A247-F250 PolarHBondContact O-N 3.03Å; A247-I251 WeakPolarHBondContact O-CG1 3.44Å; A247-I251 PolarHBondContact O-N 3.15Å |
| 248 | I | 93.1 | Very high | 86.8 | Confident | 88 Ų | 88 | 95.6 Ų | 95.6 | 45% | 0.451 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 175.8 | -69.5 | 164.2 | 0 | 0 | 0 | 110.7 | M244 T246 F250 I251 I252 | M244-I248 WeakPolarHBondContact O-CB 3.27Å; M244-I248 WeakPolarHBondContact O-CD1 3.22Å; M244-I248 WeakPolarHBondContact O-CG1 3.13Å; M244-I248 PolarHBondContact O-N 2.8Å; T246-I248 PolarHBondContact O-N 3.35Å; I248-F250 PolarHBondContact O-N 2.99Å; I248-I251 PolarHBondContact O-N 3.06Å; I248-I252 HydrophobicContact CG2-CD1 3.81Å; I248-I252 WeakPolarHBondContact O-CG1 3.39Å; I248-I252 PolarHBondContact O-N 3.46Å |
| 249 | A | 93.3 | Very high | 88.3 | Confident | 56 Ų | 56 | 96.4 Ų | 96.4 | 46% | 0.463 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I245 T246 A247 I252 L253 | I245-A249 WeakPolarHBondContact O-CB 3.44Å; I245-A249 PolarHBondContact O-N 2.05Å; T246-A249 PolarHBondContact O-N 2.88Å; A247-A249 PolarHBondContact O-N 2.86Å; A249-I252 PolarHBondContact O-N 3.39Å; A249-L253 WeakPolarHBondContact O-CB 3.23Å; A249-L253 PolarHBondContact O-N 3.35Å |
| 250 | F | 94.8 | Very high | 89.7 | Confident | 145 Ų | 145 | 95.6 Ų | 95.6 | 64% | 0.636 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.6 | -40 | 175.4 | -76.8 | -63.4 | 0 | 0 | 0 | 112.9 | T246 A247 I248 L253 F254 | T246-F250 WeakPolarHBondContact O-CD2 3.18Å; T246-F250 PolarHBondContact O-N 2.84Å; A247-F250 PolarHBondContact O-N 3.03Å; I248-F250 PolarHBondContact O-N 2.99Å; F250-L253 PolarHBondContact O-N 2.84Å; F250-F254 WeakPolarHBondContact O-CB 3.38Å; F250-F254 PolarHBondContact O-N 3.42Å |
| 251 | I | 95.1 | Very high | 90.6 | Very high | 102 Ų | 102 | 94.5 Ų | 94.5 | 52% | 0.523 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 176 | -67.7 | 163.9 | 0 | 0 | 0 | 110.5 | A247 I248 L253 F254 L255 | A247-I251 WeakPolarHBondContact O-CG1 3.44Å; A247-I251 PolarHBondContact O-N 3.15Å; I248-I251 PolarHBondContact O-N 3.06Å; I251-L253 PolarHBondContact O-N 3.15Å; I251-F254 PolarHBondContact O-N 2.87Å; I251-L255 HydrophobicContact CG2-CD1 4.09Å; I251-L255 WeakPolarHBondContact O-CG 3.36Å; I251-L255 PolarHBondContact O-N 2.81Å |
| 252 | I | 95.1 | Very high | 91.4 | Very high | 96 Ų | 96 | 92.1 Ų | 92.1 | 49% | 0.492 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 177.6 | -66.8 | 166 | 0 | 0 | 0 | 110.7 | I248 A249 F254 L255 V256 | I248-I252 HydrophobicContact CG2-CD1 3.81Å; I248-I252 WeakPolarHBondContact O-CG1 3.39Å; I248-I252 PolarHBondContact O-N 3.46Å; A249-I252 PolarHBondContact O-N 3.39Å; I252-F254 VanDerWaalsContact C-N 3.33Å; I252-F254 PolarHBondContact O-N 3.29Å; I252-L255 PolarHBondContact O-N 3.01Å; I252-V256 HydrophobicContact CG2-CG2 4.47Å; I252-V256 WeakPolarHBondContact O-CG2 3.41Å; I252-V256 PolarHBondContact O-N 3.01Å |
| 253 | L | 95.6 | Very high | 92.2 | Very high | 119 Ų | 119 | 92 Ų | 92 | 62% | 0.623 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61 | -41.5 | 178.6 | -167 | 75.8 | 0 | 0 | 0 | 112 | A249 F250 I251 V256 S257 | A249-L253 WeakPolarHBondContact O-CB 3.23Å; A249-L253 PolarHBondContact O-N 3.35Å; F250-L253 PolarHBondContact O-N 2.84Å; I251-L253 PolarHBondContact O-N 3.15Å; L253-V256 PolarHBondContact O-N 2.82Å; L253-S257 WeakPolarHBondContact O-CB 3.49Å; L253-S257 PolarHBondContact O-N 3.02Å |
| 254 | F | 95.1 | Very high | 92.7 | Very high | 141 Ų | 141 | 86.9 Ų | 86.9 | 62% | 0.618 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.9 | -47.6 | 175.9 | -177.9 | -100.1 | 0 | 0 | 0 | 111.7 | F250 I251 I252 V256 S257 C258 | F250-F254 WeakPolarHBondContact O-CB 3.38Å; F250-F254 PolarHBondContact O-N 3.42Å; I251-F254 PolarHBondContact O-N 2.87Å; I252-F254 VanDerWaalsContact C-N 3.33Å; I252-F254 PolarHBondContact O-N 3.29Å; F254-V256 PolarHBondContact O-N 2.91Å; F254-S257 WeakPolarHBondContact O-CB 3.47Å; F254-S257 PolarHBondContact O-N 3.41Å; F254-C258 PolarHBondContact O-N 3.41Å; F254-C258 PolarHBondContact O-SG 3.48Å; F254-C258 VanDerWaalsContact O-SG 3.37Å |
| 255 | L | 95.1 | Very high | 93 | Very high | 97 Ų | 97 | 89 Ų | 89 | 51% | 0.508 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 177.6 | -69.3 | 172 | 0 | 0 | 0 | 112.2 | I251 I252 C258 I259 | I251-L255 HydrophobicContact CG2-CD1 4.09Å; I251-L255 WeakPolarHBondContact O-CG 3.36Å; I251-L255 PolarHBondContact O-N 2.81Å; I252-L255 PolarHBondContact O-N 3.01Å; L255-C258 PolarHBondContact O-N 2.92Å; L255-I259 VanDerWaalsContact O-CG1 3.32Å; L255-I259 WeakPolarHBondContact O-CG1 3.5Å; L255-I259 PolarHBondContact O-N 3.43Å |
| 256 | V | 95.7 | Very high | 93.1 | Very high | 72 Ų | 72 | 89.7 Ų | 89.7 | 44% | 0.436 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 175.3 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | I252 L253 F254 C258 I259 I260 | I252-V256 HydrophobicContact CG2-CG2 4.47Å; I252-V256 WeakPolarHBondContact O-CG2 3.41Å; I252-V256 PolarHBondContact O-N 3.01Å; L253-V256 PolarHBondContact O-N 2.82Å; F254-V256 PolarHBondContact O-N 2.91Å; V256-C258 PolarHBondContact O-N 2.74Å; V256-I259 PolarHBondContact O-N 2.79Å; V256-I260 HydrophobicContact CG1-CD1 3.8Å; V256-I260 HydrophobicContact CG1-CG1 4.45Å; V256-I260 WeakPolarHBondContact O-CG1 3.21Å; V256-I260 PolarHBondContact O-N 3.3Å |
| 257 | S | 94.8 | Very high | 93.1 | Very high | 65 Ų | 65 | 93.8 Ų | 93.8 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 175.7 | -174.2 | 0 | 0 | 0 | 0 | 112.6 | L253 F254 I260 S261 | L253-S257 WeakPolarHBondContact O-CB 3.49Å; L253-S257 PolarHBondContact O-N 3.02Å; F254-S257 WeakPolarHBondContact O-CB 3.47Å; F254-S257 PolarHBondContact O-N 3.41Å; S257-I260 PolarHBondContact O-N 2.74Å; S257-S261 WeakPolarHBondContact O-CB 3.34Å; S257-S261 PolarHBondContact O-N 3.29Å; S257-S261 PolarHBondContact O-OG 3.41Å |
| 258 | C | 94.3 | Very high | 92.6 | Very high | 57 Ų | 57 | 97.9 Ų | 97.9 | 39% | 0.385 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 174.3 | -69.4 | 0 | 0 | 0 | 0 | 112.2 | F254 L255 V256 S261 A262 | F254-C258 PolarHBondContact O-N 3.41Å; F254-C258 PolarHBondContact O-SG 3.48Å; F254-C258 VanDerWaalsContact O-SG 3.37Å; L255-C258 PolarHBondContact O-N 2.92Å; V256-C258 PolarHBondContact O-N 2.74Å; C258-S261 PolarHBondContact O-N 3.3Å; C258-A262 WeakPolarHBondContact O-CB 3.36Å; C258-A262 PolarHBondContact O-N 3.25Å |
| 259 | I | 94.6 | Very high | 91.9 | Very high | 110 Ų | 110 | 98.1 Ų | 98.1 | 56% | 0.564 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.3 | -47.6 | 177 | -68.6 | 164.7 | 0 | 0 | 0 | 110.8 | L255 V256 S261 A262 V263 | L255-I259 VanDerWaalsContact O-CG1 3.32Å; L255-I259 WeakPolarHBondContact O-CG1 3.5Å; L255-I259 PolarHBondContact O-N 3.43Å; V256-I259 PolarHBondContact O-N 2.79Å; I259-S261 VanDerWaalsContact C-N 3.32Å; I259-S261 PolarHBondContact O-N 2.77Å; I259-A262 PolarHBondContact O-N 2.75Å; I259-V263 HydrophobicContact CG2-CG2 4.47Å; I259-V263 WeakPolarHBondContact O-CG2 3.44Å; I259-V263 PolarHBondContact O-N 3.02Å |
| 260 | I | 94.3 | Very high | 91.2 | Very high | 91 Ų | 91 | 102.5 Ų | 102.5 | 47% | 0.467 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 177 | -67.8 | 166.1 | 0 | 0 | 0 | 110.5 | V256 S257 A262 V263 L264 | V256-I260 HydrophobicContact CG1-CD1 3.8Å; V256-I260 HydrophobicContact CG1-CG1 4.45Å; V256-I260 WeakPolarHBondContact O-CG1 3.21Å; V256-I260 PolarHBondContact O-N 3.3Å; S257-I260 PolarHBondContact O-N 2.74Å; I260-A262 PolarHBondContact O-N 2.76Å; I260-V263 PolarHBondContact O-N 3.47Å; I260-L264 HydrophobicContact CG2-CD1 3.92Å; I260-L264 HydrophobicContact CG2-CG 4.39Å; I260-L264 WeakPolarHBondContact O-CB 3.45Å; I260-L264 WeakPolarHBondContact O-CG 3.37Å; I260-L264 PolarHBondContact O-N 3.11Å |
| 261 | S | 90.9 | Very high | 90.2 | Very high | 66 Ų | 66 | 101 Ų | 101 | 46% | 0.462 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 178.8 | -59.2 | 0 | 0 | 0 | 0 | 112.3 | S257 C258 I259 Y265 | S257-S261 WeakPolarHBondContact O-CB 3.34Å; S257-S261 PolarHBondContact O-N 3.29Å; S257-S261 PolarHBondContact O-OG 3.41Å; C258-S261 PolarHBondContact O-N 3.3Å; I259-S261 VanDerWaalsContact C-N 3.32Å; I259-S261 PolarHBondContact O-N 2.77Å; S261-Y265 VanDerWaalsContact O-CB 3.31Å; S261-Y265 WeakPolarHBondContact O-CB 3.17Å; S261-Y265 PolarHBondContact O-N 3.44Å |
| 262 | A | 92.3 | Very high | 88.6 | Confident | 49 Ų | 49 | 104.7 Ų | 104.7 | 41% | 0.405 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.4 | -42.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | C258 I259 I260 Y265 I266 | C258-A262 WeakPolarHBondContact O-CB 3.36Å; C258-A262 PolarHBondContact O-N 3.25Å; I259-A262 PolarHBondContact O-N 2.75Å; I260-A262 PolarHBondContact O-N 2.76Å; A262-Y265 PolarHBondContact O-N 2.73Å; A262-I266 VanDerWaalsContact O-CG1 3.27Å; A262-I266 WeakPolarHBondContact O-CG1 3.24Å; A262-I266 PolarHBondContact O-N 3.31Å |
| 263 | V | 92.6 | Very high | 86.9 | Confident | 91 Ų | 91 | 104.8 Ų | 104.8 | 55% | 0.552 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63 | -44.3 | 175.8 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | I259 I260 I266 Y267 | I259-V263 HydrophobicContact CG2-CG2 4.47Å; I259-V263 WeakPolarHBondContact O-CG2 3.44Å; I259-V263 PolarHBondContact O-N 3.02Å; I260-V263 PolarHBondContact O-N 3.47Å; V263-I266 PolarHBondContact O-N 3.44Å; V263-Y267 WeakPolarHBondContact O-CB 3.43Å; V263-Y267 PolarHBondContact O-N 3.47Å |
| 264 | L | 90.9 | Very high | 85.2 | Confident | 85 Ų | 85 | 104.9 Ų | 104.9 | 45% | 0.445 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 174.3 | -72.7 | 172.6 | 0 | 0 | 0 | 111.4 | I260 I266 Y267 F268 | I260-L264 HydrophobicContact CG2-CD1 3.92Å; I260-L264 HydrophobicContact CG2-CG 4.39Å; I260-L264 WeakPolarHBondContact O-CB 3.45Å; I260-L264 WeakPolarHBondContact O-CG 3.37Å; I260-L264 PolarHBondContact O-N 3.11Å; L264-I266 PolarHBondContact O-N 2.98Å; L264-Y267 WeakPolarHBondContact O-CB 3.45Å; L264-Y267 PolarHBondContact O-N 3.46Å; L264-F268 HydrophobicContact CB-CD2 4.43Å; L264-F268 HydrophobicContact CB-CE2 4.46Å; L264-F268 WeakPolarHBondContact O-CD2 3.3Å; L264-F268 PolarHBondContact O-N 2.91Å |
| 265 | Y | 91.2 | Very high | 83.4 | Confident | 148 Ų | 148 | 103.8 Ų | 103.8 | 58% | 0.58 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.4 | -45.7 | 176.7 | -179.9 | -94.6 | 0 | 0 | 0 | 112.1 | S261 A262 F268 Q269 | S261-Y265 VanDerWaalsContact O-CB 3.31Å; S261-Y265 WeakPolarHBondContact O-CB 3.17Å; S261-Y265 PolarHBondContact O-N 3.44Å; A262-Y265 PolarHBondContact O-N 2.73Å; Y265-F268 PolarHBondContact O-N 2.89Å; Y265-Q269 HydrophobicContact CD1-CG 4.12Å; Y265-Q269 HydrophobicContact CE1-CG 3.71Å; Y265-Q269 HydrophobicContact CE2-CG 4.48Å; Y265-Q269 WeakPolarHBondContact O-CB 3.43Å; Y265-Q269 WeakPolarHBondContact O-CG 3.47Å; Y265-Q269 PolarHBondContact O-N 3.48Å; Y265-Q269 PolarHBondContact OH-NE2 3.33Å |
| 266 | I | 89.3 | Confident | 81 | Confident | 111 Ų | 111 | 106.3 Ų | 106.3 | 57% | 0.569 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.6 | -41.2 | 176 | -68 | 164.1 | 0 | 0 | 0 | 111 | A262 V263 L264 Q269 K270 | A262-I266 VanDerWaalsContact O-CG1 3.27Å; A262-I266 WeakPolarHBondContact O-CG1 3.24Å; A262-I266 PolarHBondContact O-N 3.31Å; V263-I266 PolarHBondContact O-N 3.44Å; L264-I266 PolarHBondContact O-N 2.98Å; I266-Q269 PolarHBondContact O-N 2.97Å; I266-K270 WeakPolarHBondContact O-CB 3.42Å; I266-K270 PolarHBondContact O-N 2.94Å |
| 267 | Y | 87.1 | Confident | 78.8 | Confident | 143 Ų | 143 | 108.1 Ų | 108.1 | 56% | 0.561 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63 | -44.4 | 175.4 | 176.5 | -103.5 | 0 | 0 | 0 | 112.2 | V263 L264 K270 K271 | V263-Y267 WeakPolarHBondContact O-CB 3.43Å; V263-Y267 PolarHBondContact O-N 3.47Å; L264-Y267 WeakPolarHBondContact O-CB 3.45Å; L264-Y267 PolarHBondContact O-N 3.46Å; Y267-K270 PolarHBondContact O-N 3.47Å; Y267-K271 WeakPolarHBondContact O-CB 3.42Å; Y267-K271 PolarHBondContact O-N 3.27Å |
| 268 | F | 80.3 | Confident | 76.5 | Confident | 123 Ų | 123 | 114.2 Ų | 114.2 | 54% | 0.539 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68 | -39.5 | 176.3 | -79 | -64.9 | 0 | 0 | 0 | 112.6 | L264 Y265 K271 R272 | L264-F268 HydrophobicContact CB-CD2 4.43Å; L264-F268 HydrophobicContact CB-CE2 4.46Å; L264-F268 WeakPolarHBondContact O-CD2 3.3Å; L264-F268 PolarHBondContact O-N 2.91Å; Y265-F268 PolarHBondContact O-N 2.89Å; F268-K271 PolarHBondContact O-N 2.93Å; F268-R272 WeakPolarHBondContact O-CB 3.31Å; F268-R272 PolarHBondContact O-N 3.4Å |
| 269 | Q | 78.1 | Confident | 74.1 | Confident | 93 Ų | 93 | 117 Ų | 117 | 44% | 0.435 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -57.8 | -49 | 171 | -80.6 | -78.3 | 26 | 0 | 0 | 111.1 | Y265 I266 K271 R272 S273 | Y265-Q269 HydrophobicContact CD1-CG 4.12Å; Y265-Q269 HydrophobicContact CE1-CG 3.71Å; Y265-Q269 HydrophobicContact CE2-CG 4.48Å; Y265-Q269 WeakPolarHBondContact O-CB 3.43Å; Y265-Q269 WeakPolarHBondContact O-CG 3.47Å; Y265-Q269 PolarHBondContact O-N 3.48Å; Y265-Q269 PolarHBondContact OH-NE2 3.33Å; I266-Q269 PolarHBondContact O-N 2.97Å; Q269-K271 PolarHBondContact O-N 2.99Å; Q269-R272 PolarHBondContact O-N 3.05Å; Q269-R272 VanDerWaalsContact O-N 3.14Å; Q269-S273 PolarHBondContact O-N 3.36Å |
| 270 | K | 78.4 | Confident | 71.3 | Confident | 148 Ų | 148 | 117.8 Ų | 117.8 | 64% | 0.643 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64 | -39.9 | 177.8 | -169 | 166.1 | -175.8 | 172.1 | 0 | 112.3 | I266 Y267 R272 S273 N274 | I266-K270 WeakPolarHBondContact O-CB 3.42Å; I266-K270 PolarHBondContact O-N 2.94Å; Y267-K270 PolarHBondContact O-N 3.47Å; K270-R272 VanDerWaalsContact C-N 3.32Å; K270-R272 PolarHBondContact O-N 3.46Å; K270-S273 PolarHBondContact O-N 2.9Å; K270-N274 PolarHBondContact O-N 3.13Å; K270-N274 PolarHBondContact O-OD1 3.46Å |
| 271 | K | 73.4 | Confident | 68.6 | Low | 113 Ų | 113 | 118.3 Ų | 118.3 | 49% | 0.491 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63.9 | -35.9 | 173.1 | -172.8 | 174.6 | 179.5 | 179.6 | 0 | 112 | Y267 F268 Q269 N274 N275 | Y267-K271 WeakPolarHBondContact O-CB 3.42Å; Y267-K271 PolarHBondContact O-N 3.27Å; F268-K271 PolarHBondContact O-N 2.93Å; Q269-K271 PolarHBondContact O-N 2.99Å; K271-N274 PolarHBondContact O-N 3.36Å; K271-N275 PolarHBondContact O-ND2 3.17Å |
| 272 | R | 62.3 | Low | 66 | Low | 181 Ų | 181 | 121.2 Ų | 121.2 | 68% | 0.683 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -71.6 | -39.2 | 177 | -163 | 175.3 | -171.2 | 174.2 | 2 | 112 | F268 Q269 K270 N274 N275 | F268-R272 WeakPolarHBondContact O-CB 3.31Å; F268-R272 PolarHBondContact O-N 3.4Å; Q269-R272 PolarHBondContact O-N 3.05Å; Q269-R272 VanDerWaalsContact O-N 3.14Å; K270-R272 VanDerWaalsContact C-N 3.32Å; K270-R272 PolarHBondContact O-N 3.46Å; R272-N274 PolarHBondContact O-N 3.3Å; R272-N275 PolarHBondContact O-N 3.34Å |
| 273 | S | 59.8 | Low | 63.1 | Low | 98 Ų | 98 | 127.9 Ų | 127.9 | 69% | 0.685 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -62 | -28.1 | 174 | -169.1 | 0 | 0 | 0 | 0 | 113.5 | Q269 K270 | Q269-S273 PolarHBondContact O-N 3.36Å; K270-S273 PolarHBondContact O-N 2.9Å |
| 274 | N | 58.8 | Low | 60.3 | Low | 120 Ų | 120 | 130.8 Ų | 130.8 | 64% | 0.642 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -2 | 179.2 | -70.6 | 3.1 | 0 | 0 | 0 | 114 | K270 K271 R272 | K270-N274 PolarHBondContact O-N 3.13Å; K270-N274 PolarHBondContact O-OD1 3.46Å; K271-N274 PolarHBondContact O-N 3.36Å; R272-N274 PolarHBondContact O-N 3.3Å |
| 275 | N | 56.5 | Low | 58.4 | Low | 118 Ų | 118 | 132.4 Ų | 132.4 | 63% | 0.631 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -134 | 28.5 | -168 | -74.2 | -71.4 | 0 | 0 | 0 | 114.3 | K271 R272 | K271-N275 PolarHBondContact O-ND2 3.17Å; R272-N275 PolarHBondContact O-N 3.34Å |
| 276 | M | 44.7 | Very low | 55.5 | Low | 150 Ų | 150 | 131.6 Ų | 131.6 | 74% | 0.739 | 69% | 0.689 | S | S | * | * | trans | -118.3 | 123.1 | 174.5 | -162.5 | 100.4 | 92.5 | 0 | 0 | 111.5 | ||||
| 277 | P | 51.1 | Low | 54 | Low | 111 Ų | 111 | 131.8 Ų | 131.8 | 72% | 0.721 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 159.6 | 167.9 | -17 | 31.7 | 0 | 0 | 0 | 112.9 | ||
| 278 | E | 45.4 | Very low | 51.3 | Low | 192 Ų | 192 | 132.4 Ų | 132.4 | 90% | 0.897 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 129.8 | 177.6 | -176.9 | 177.2 | -162.3 | 0 | 0 | 112.8 | ||
| 279 | P | 44.4 | Very low | 49.2 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 75% | 0.753 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 133.7 | 171 | 34.8 | -27.6 | 0 | 0 | 0 | 112.9 | ||
| 280 | S | 34.9 | Very low | 47 | Very low | 126 Ų | 126 | 132.4 Ų | 132.4 | 88% | 0.881 | 73% | 0.73 | S | S | * | * | trans | -76.5 | 174.2 | 176.1 | 53.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 281 | S | 37.9 | Very low | 44.9 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | trans | -89.9 | 172.1 | -153.3 | 60.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 282 | T | 36.8 | Very low | 43.2 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | trans | 77.2 | 134.3 | 158.1 | 6.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 283 | Q | 32.3 | Very low | 42.5 | Very low | 189 Ų | 189 | 129.9 Ų | 129.9 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | cis | -172.6 | 164.5 | 49 | -164.7 | 168.3 | 7.4 | 0 | 0 | 111.2 | ||||
| 284 | M | 33.7 | Very low | 41.2 | Very low | 151 Ų | 151 | 131.5 Ų | 131.5 | 74% | 0.744 | 76% | 0.758 | S | S | * | * | trans | -108.6 | 161.1 | 173 | -130.3 | -144.4 | -150.9 | 0 | 0 | 110 | ||||
| 285 | P | 50.2 | Low | 41.1 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | -153.5 | 176.9 | 60.4 | 39.6 | -16.6 | 0 | 0 | 0 | 119.8 | |||||
| 286 | N | 29.3 | Very low | 40.7 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | -36.2 | -179.1 | 161.6 | -85.6 | -8.9 | 0 | 0 | 0 | 119.7 | ||||
| 287 | P | 58.7 | Low | 40.2 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | cis | -141.2 | -162.4 | -32.8 | 39.1 | -18.9 | 0 | 0 | 0 | 114 | ||||
| 288 | L | 31.5 | Very low | 39.5 | Very low | 155 Ų | 155 | 128.5 Ų | 128.5 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | 137.3 | 137.2 | 128.9 | -168.5 | 61.1 | 0 | 0 | 0 | 119.4 | |||||
| 289 | S | 34.9 | Very low | 39 | Very low | 96 Ų | 96 | 127.2 Ų | 127.2 | 67% | 0.671 | 76% | 0.757 | S | S | * | * | trans | 62.9 | 134.5 | 162.7 | -70.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 290 | T | 31.8 | Very low | 38.7 | Very low | 120 Ų | 120 | 127 Ų | 127 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | cis | 99.5 | 111 | 25.9 | -59.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 291 | L | 34.7 | Very low | 38.9 | Very low | 164 Ų | 164 | 129.1 Ų | 129.1 | 86% | 0.859 | 75% | 0.75 | S | S | * | * | trans | -168.6 | 163.8 | 139.3 | -134.5 | 84.8 | 0 | 0 | 0 | 115.3 | ||||
| 292 | V | 36.8 | Very low | 38.7 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 75% | 0.745 | 76% | 0.755 | S | S | * | * | trans | -164.3 | -179.4 | -172.9 | -118.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 293 | P | 48.9 | Very low | 38.6 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 66% | 0.662 | 75% | 0.754 | S | S | * | * | cis | -141.4 | 179.5 | -6.9 | 31.4 | -7.4 | 0 | 0 | 0 | 117.7 | ||||
| 294 | T | 32.6 | Very low | 38.8 | Very low | 133 Ų | 133 | 131 Ų | 131 | 82% | 0.816 | 75% | 0.749 | S | S | * | * | trans | 80.6 | 156.2 | 140 | 38.8 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 295 | P | 56.8 | Low | 38.9 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | -111.8 | -159.4 | -162.6 | 44.2 | -32.4 | 0 | 0 | 0 | 114.3 | ||||
| 296 | P | 48 | Very low | 38.4 | Very low | 107 Ų | 107 | 137 Ų | 137 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | -158.2 | 170.8 | 83.8 | 42.2 | -21.2 | 0 | 0 | 0 | 120.1 | |||||
| 297 | S | 34.1 | Very low | 38.8 | Very low | 102 Ų | 102 | 139 Ų | 139 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | trans | 58.8 | 156.5 | 144.8 | 61.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 298 | T | 36.3 | Very low | 37.9 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | cis | -155.4 | 165 | 13.2 | -19.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 299 | E | 34.8 | Very low | 38.5 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | -15.1 | 161.9 | 151 | -73 | 164.3 | 118.2 | 0 | 0 | 119.9 | ||||
| 300 | T | 37.3 | Very low | 38.6 | Very low | 110 Ų | 110 | 140.4 Ų | 140.4 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | cis | -157.6 | 161.2 | 36.7 | 4.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 301 | E | 39.4 | Very low | 39.4 | Very low | 172 Ų | 172 | 144.1 Ų | 144.1 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | 49.1 | 94.9 | 143.4 | -68.4 | 179.2 | 119.3 | 0 | 0 | 124.5 | ||||
| 302 | N | 33.3 | Very low | 40 | Very low | 155 Ų | 155 | 146.2 Ų | 146.2 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | 20.5 | 125.7 | 108.7 | -80.5 | -26.2 | 0 | 0 | 0 | 122.9 | |||||
| 303 | L | 36.3 | Very low | 40.2 | Very low | 146 Ų | 146 | 147.4 Ų | 147.4 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | 84.2 | 116.5 | 120.3 | -153.4 | 79.1 | 0 | 0 | 0 | 122 | |||||
| 304 | M | 34.6 | Very low | 39.7 | Very low | 156 Ų | 156 | 149.7 Ų | 149.7 | 77% | 0.768 | 80% | 0.802 | S | S | * | * | trans | 41 | 124.4 | 149.8 | -65.6 | -178.3 | 173 | 0 | 0 | 121.1 | ||||
| 305 | R | 36.7 | Very low | 40.1 | Very low | 249 Ų | 249 | 150.7 Ų | 150.7 | 94% | 0.94 | 80% | 0.801 | S | S | * | * | trans | -133.3 | 135.1 | 134.7 | -158.3 | 177.6 | -64.8 | -174.9 | 2.3 | 111.6 | ||||
| 306 | H | 39.4 | Very low | 39.1 | Very low | 150 Ų | 150 | 152.9 Ų | 152.9 | 69% | 0.694 | 81% | 0.806 | S | S | * | * | trans | -80.5 | 161.6 | -173.4 | -111.9 | -97.9 | 0 | 0 | 0 | 113.9 | ||||
| 307 | H | 37.8 | Very low | 38.6 | Very low | 173 Ų | 173 | 155.8 Ų | 155.8 | 80% | 0.801 | 81% | 0.813 | S | S | * | * | trans | 55.9 | 114.7 | 153.1 | -106.1 | -59.1 | 0 | 0 | 0 | 119.7 | ||||
| 308 | C | 39.8 | Very low | 38.9 | Very low | 126 Ų | 126 | 159.4 Ų | 159.4 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | trans | -97.1 | 170.1 | 143.8 | -150.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 309 | Q | 43.3 | Very low | 39 | Very low | 168 Ų | 168 | 162.6 Ų | 162.6 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | trans | -138.9 | 153.3 | -156 | -173.3 | 174.7 | -1.5 | 0 | 0 | 111.3 | ||||
| 310 | S | 37.9 | Very low | 39.4 | Very low | 101 Ų | 101 | 162.4 Ų | 162.4 | 71% | 0.706 | 83% | 0.832 | S | S | * | * | trans | 53.6 | 129.1 | 163.1 | 60.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 311 | E | 48.9 | Very low | 39.5 | Very low | 197 Ų | 197 | 166.8 Ų | 166.8 | 92% | 0.921 | 85% | 0.845 | S | S | * | * | -137.3 | 148.7 | 126 | -119.2 | 170.6 | -168.8 | 0 | 0 | 109.2 | |||||
| 312 | T | 47.2 | Very low | 39.6 | Very low | 208 Ų | 208 | 166.3 Ų | 166.3 | 100% | 1.276 | 85% | 0.849 | S | S | * | * | trans | -97.4 | 0 | -173.9 | 48.1 | 0 | 0 | 0 | 0 | 112.3 |
Retrieved 312 of 312 residues in 399.3 ms
(Link to these results)