| 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 | 60.2 | Low | 65.7 | Low | 208 Ų | 208 | 131.5 Ų | 131.5 | 100% | 1.025 | 67% | 0.665 | S | S | * | * | 0 | 6.1 | 0 | -153 | 172.1 | 73.5 | 0 | 0 | 111.4 | |||||
| 2 | D | 68.2 | Low | 65.4 | Low | 125 Ų | 125 | 131.8 Ų | 131.8 | 67% | 0.668 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -92.1 | -21.2 | -169.4 | -50.6 | -66.4 | 0 | 0 | 0 | 114.4 | L5 H6 | D2-L5 PolarHBondContact O-N 3.42Å; D2-H6 PolarHBondContact O-N 3.45Å |
| 3 | F | 67.1 | Low | 64.9 | Low | 187 Ų | 187 | 132.9 Ų | 132.9 | 82% | 0.82 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -68.9 | -35.8 | 178.5 | -106.9 | -86.6 | 0 | 0 | 0 | 113.2 | H6 C7 | F3-H6 PolarHBondContact O-N 3.22Å; F3-C7 PolarHBondContact O-N 3.15Å |
| 4 | L | 69.8 | Low | 63.7 | Low | 128 Ų | 128 | 132.3 Ų | 132.3 | 67% | 0.67 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -68.3 | -36.9 | 177.3 | -105.4 | 160.2 | 0 | 0 | 0 | 111.6 | H6 C7 I8 | L4-H6 VanDerWaalsContact C-N 3.35Å; L4-H6 PolarHBondContact O-N 3.34Å; L4-C7 PolarHBondContact O-N 3.4Å; L4-I8 WeakPolarHBondContact O-CG1 3.01Å; L4-I8 PolarHBondContact O-N 3.34Å |
| 5 | L | 69.5 | Low | 63.2 | Low | 125 Ų | 125 | 130.3 Ų | 130.3 | 65% | 0.654 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -66.5 | -38.1 | 179.1 | -150.7 | 78.7 | 0 | 0 | 0 | 111.5 | D2 I8 L9 | D2-L5 PolarHBondContact O-N 3.42Å; L5-I8 PolarHBondContact O-N 3.38Å; L5-L9 PolarHBondContact O-N 3Å; L5-L9 VanDerWaalsContact O-N 3.09Å |
| 6 | H | 65.1 | Low | 62.9 | Low | 126 Ų | 126 | 129.6 Ų | 129.6 | 58% | 0.583 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -66.5 | -37.3 | 176.2 | -109.5 | 75.1 | 0 | 0 | 0 | 113.1 | D2 F3 L4 L9 H10 | D2-H6 PolarHBondContact O-N 3.45Å; F3-H6 PolarHBondContact O-N 3.22Å; L4-H6 VanDerWaalsContact C-N 3.35Å; L4-H6 PolarHBondContact O-N 3.34Å; H6-L9 PolarHBondContact O-N 3.12Å; H6-H10 PolarHBondContact O-N 2.96Å |
| 7 | C | 66.8 | Low | 62 | Low | 76 Ų | 76 | 128.9 Ų | 128.9 | 51% | 0.514 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -66.7 | -40.6 | 176 | -79.1 | 0 | 0 | 0 | 0 | 112.4 | F3 L4 L9 H10 L11 | F3-C7 PolarHBondContact O-N 3.15Å; L4-C7 PolarHBondContact O-N 3.4Å; C7-L9 VanDerWaalsContact C-N 3.34Å; C7-H10 PolarHBondContact O-N 3.03Å; C7-L11 PolarHBondContact O-N 3.08Å; C7-L11 VanDerWaalsContact O-N 3.15Å |
| 8 | I | 70.7 | Confident | 61.3 | Low | 95 Ų | 95 | 126.8 Ų | 126.8 | 49% | 0.487 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -66.3 | -39.8 | 178.3 | -63.3 | 165.8 | 0 | 0 | 0 | 110.4 | L4 L5 H10 L11 L12 | L4-I8 WeakPolarHBondContact O-CG1 3.01Å; L4-I8 PolarHBondContact O-N 3.34Å; L5-I8 PolarHBondContact O-N 3.38Å; I8-H10 PolarHBondContact O-N 3.36Å; I8-L11 PolarHBondContact O-N 3.24Å; I8-L12 HydrophobicContact CG2-CD1 4.26Å; I8-L12 PolarHBondContact O-N 3.31Å |
| 9 | L | 65.9 | Low | 60.6 | Low | 110 Ų | 110 | 129.5 Ų | 129.5 | 58% | 0.576 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -65.7 | -38.2 | 177.4 | -154.5 | 75.4 | 0 | 0 | 0 | 111.8 | L5 H6 C7 L12 M13 | L5-L9 PolarHBondContact O-N 3Å; L5-L9 VanDerWaalsContact O-N 3.09Å; H6-L9 PolarHBondContact O-N 3.12Å; C7-L9 VanDerWaalsContact C-N 3.34Å; L9-L12 PolarHBondContact O-N 2.89Å; L9-M13 VanDerWaalsContact O-CG 3.25Å; L9-M13 WeakPolarHBondContact O-CG 3.48Å; L9-M13 PolarHBondContact O-N 2.85Å |
| 10 | H | 60.9 | Low | 59.7 | Low | 140 Ų | 140 | 132.4 Ų | 132.4 | 65% | 0.648 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -66.8 | -34.7 | 176.1 | -102.8 | -75.7 | 0 | 0 | 0 | 113.7 | H6 C7 I8 L12 M13 | H6-H10 PolarHBondContact O-N 2.96Å; C7-H10 PolarHBondContact O-N 3.03Å; I8-H10 PolarHBondContact O-N 3.36Å; H10-L12 VanDerWaalsContact C-N 3.34Å; H10-M13 PolarHBondContact O-N 3.36Å |
| 11 | L | 58.6 | Low | 58.9 | Low | 127 Ų | 127 | 131.1 Ų | 131.1 | 67% | 0.665 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -68.5 | -32 | 174.8 | -91.1 | 148.6 | 0 | 0 | 0 | 112.6 | C7 I8 M13 | C7-L11 PolarHBondContact O-N 3.08Å; C7-L11 VanDerWaalsContact O-N 3.15Å; I8-L11 PolarHBondContact O-N 3.24Å; L11-M13 VanDerWaalsContact C-N 3.32Å |
| 12 | L | 62.2 | Low | 58.2 | Low | 134 Ų | 134 | 124.1 Ų | 124.1 | 70% | 0.702 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -75 | -19.4 | 174.6 | -84.3 | 157.4 | 0 | 0 | 0 | 113.6 | I8 L9 H10 | I8-L12 HydrophobicContact CG2-CD1 4.26Å; I8-L12 PolarHBondContact O-N 3.31Å; L9-L12 PolarHBondContact O-N 2.89Å; H10-L12 VanDerWaalsContact C-N 3.34Å |
| 13 | M | 58.4 | Low | 57.3 | Low | 147 Ų | 147 | 123.5 Ų | 123.5 | 72% | 0.724 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | 1.1 | 179.4 | -65.5 | -66.9 | -80.6 | 0 | 0 | 113.5 | L9 H10 L11 P15 | L9-M13 VanDerWaalsContact O-CG 3.25Å; L9-M13 WeakPolarHBondContact O-CG 3.48Å; L9-M13 PolarHBondContact O-N 2.85Å; H10-M13 PolarHBondContact O-N 3.36Å; L11-M13 VanDerWaalsContact C-N 3.32Å; M13-P15 WeakPolarHBondContact O-CD 3.49Å |
| 14 | L | 49.2 | Very low | 56.6 | Low | 124 Ų | 124 | 122.5 Ų | 122.5 | 65% | 0.649 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -71 | 109.1 | 163.4 | -76.1 | 166.6 | 0 | 0 | 0 | 106.8 | ||
| 15 | P | 55.9 | Low | 56.1 | Low | 103 Ų | 103 | 122 Ų | 122 | 67% | 0.669 | 69% | 0.689 | S | S | * | * | trans | -57.3 | 132.4 | 172.8 | -10 | 25.5 | 0 | 0 | 0 | 105.4 | M13 C17 | M13-P15 WeakPolarHBondContact O-CD 3.49Å; P15-C17 PolarHBondContact O-N 2.92Å | ||
| 16 | P | 57.4 | Low | 56.7 | Low | 119 Ų | 119 | 122 Ų | 122 | 77% | 0.773 | 68% | 0.681 | S | S | * | * | trans | -52.1 | 117.2 | 164.6 | -13.2 | 24.5 | 0 | 0 | 0 | 104.1 | A18 | P16-A18 PolarHBondContact O-N 3.22Š| ||
| 17 | C | 48.4 | Very low | 57.9 | Low | 117 Ų | 117 | 116.5 Ų | 116.5 | 79% | 0.791 | 66% | 0.655 | S | S | * | * | trans | -53.2 | 100.2 | 163.1 | -91.1 | 0 | 0 | 0 | 0 | 103.4 | P15 Q19 | P15-C17 PolarHBondContact O-N 2.92Å; C17-Q19 PolarHBondContact O-N 3.48Å | ||
| 18 | A | 49.8 | Very low | 59 | Low | 92 Ų | 92 | 119.9 Ų | 119.9 | 76% | 0.76 | 66% | 0.657 | S | S | * | * | trans | -59.5 | 93.9 | 163 | 0 | 0 | 0 | 0 | 0 | 101.6 | P16 E20 | P16-A18 PolarHBondContact O-N 3.22Å; A18-E20 PolarHBondContact O-N 3.43Å | ||
| 19 | Q | 47 | Very low | 60.2 | Low | 178 Ų | 178 | 117.2 Ų | 117.2 | 83% | 0.832 | 64% | 0.643 | S | S | * | * | trans | -55.3 | 97.3 | 163.7 | -79.3 | 177.5 | -66.3 | 0 | 0 | 102.6 | C17 S21 | C17-Q19 PolarHBondContact O-N 3.48Å; Q19-S21 PolarHBondContact O-N 2.91Å | ||
| 20 | E | 42.3 | Very low | 61.6 | Low | 186 Ų | 186 | 117.5 Ų | 117.5 | 87% | 0.869 | 64% | 0.639 | S | S | * | * | trans | -45.3 | 104.1 | 162 | -161.1 | 166.1 | -150.2 | 0 | 0 | 103.1 | A18 G22 | A18-E20 PolarHBondContact O-N 3.43Å; E20-G22 PolarHBondContact O-N 2.98Å | ||
| 21 | S | 44.1 | Very low | 63.2 | Low | 106 Ų | 106 | 115.4 Ų | 115.4 | 74% | 0.741 | 63% | 0.633 | S | S | * | * | trans | -63 | 95.1 | -171.2 | 57 | 0 | 0 | 0 | 0 | 104.3 | Q19 S23 | Q19-S21 PolarHBondContact O-N 2.91Å; S21-S23 PolarHBondContact O-N 3.49Å | ||
| 22 | G | 45.7 | Very low | 65.1 | Low | 62 Ų | 62 | 117.8 Ų | 117.8 | 64% | 0.639 | 63% | 0.634 | S | S | * | * | trans | -47.1 | 122.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 105.1 | E20 L24 | E20-G22 PolarHBondContact O-N 2.98Å; G22-L24 VanDerWaalsContact C-N 3.33Å; G22-L24 PolarHBondContact O-N 2.78Å | ||
| 23 | S | 48.5 | Very low | 66.7 | Low | 111 Ų | 111 | 113.2 Ų | 113.2 | 78% | 0.776 | 61% | 0.609 | S | S | * | * | trans | -50.5 | 104.6 | -173.3 | 64 | 0 | 0 | 0 | 0 | 106.9 | S21 Q25 | S21-S23 PolarHBondContact O-N 3.49Å; S23-Q25 PolarHBondContact O-N 3.23Å | ||
| 24 | L | 53.4 | Low | 68.6 | Low | 167 Ų | 167 | 110.1 Ų | 110.1 | 87% | 0.874 | 60% | 0.599 | S | S | * | * | trans | -65.5 | 94 | 176.9 | -98.5 | 163.8 | 0 | 0 | 0 | 103.9 | G22 R26 | G22-L24 VanDerWaalsContact C-N 3.33Å; G22-L24 PolarHBondContact O-N 2.78Å; L24-R26 VanDerWaalsContact C-N 3.28Å; L24-R26 PolarHBondContact O-N 3.44Å | ||
| 25 | Q | 58.8 | Low | 70.9 | Confident | 118 Ų | 118 | 104.6 Ų | 104.6 | 55% | 0.551 | 57% | 0.571 | S | S | * | * | trans | -63.4 | 97.9 | -177.1 | -174.6 | 167.9 | -3.4 | 0 | 0 | 106.5 | S23 I27 H29 | S23-Q25 PolarHBondContact O-N 3.23Å; Q25-I27 WeakPolarHBondContact CG-O 3.42Å; Q25-I27 PolarHBondContact O-N 3.44Å; Q25-H29 PolarHBondContact NE2-NE2 3.35Å | ||
| 26 | R | 82.6 | Confident | 72.9 | Confident | 125 Ų | 125 | 102.2 Ų | 102.2 | 47% | 0.472 | 55% | 0.554 | S | S | . | * | trans | -70.3 | -14.9 | -168.9 | -161.8 | -179.2 | -77.4 | 168.3 | -3.3 | 111.7 | L24 F47 S48 H125 | L24-R26 VanDerWaalsContact C-N 3.28Å; L24-R26 PolarHBondContact O-N 3.44Å; R26-F47 HydrophobicContact CB-CE2 4.15Å; R26-F47 HydrophobicContact CG-CD2 3.89Å; R26-F47 HydrophobicContact CG-CE2 3.41Å; R26-F47 VanDerWaalsContact CG-CE2 3.41Å; R26-F47 HydrophobicContact CG-CZ 4.11Å; R26-F47 WeakPolarHBondContact O-CD2 3.46Å; R26-S48 PolarHBondContact O-N 3.26Å; R26-H125 PolarHBondContact NH1-NE2 3.45Å | ||
| 27 | I | 88.6 | Confident | 74.9 | Confident | 10 Ų | 10 | 99.4 Ų | 99.4 | 5% | 0.051 | 53% | 0.533 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 118.5 | -178.6 | -61.7 | 167.3 | 0 | 0 | 0 | 109.5 | Q25 H29 C45 N46 F47 F117 H125 | Q25-I27 WeakPolarHBondContact CG-O 3.42Å; Q25-I27 PolarHBondContact O-N 3.44Å; I27-H29 PolarHBondContact O-CD2 3.48Å; I27-C45 HydrophobicContact CG2-CB 4.24Å; I27-N46 CarbonylContact C-O 3.59Å; I27-N46 VanDerWaalsContact CA-O 3.27Å; I27-N46 WeakPolarHBondContact CA-O 3.32Å; I27-F47 HydrophobicContact CD1-CD2 4.14Å; I27-F47 HydrophobicContact CD1-CE2 4.49Å; I27-F47 HydrophobicContact CG1-CD2 3.5Å; I27-F47 HydrophobicContact CG1-CE2 4.15Å; I27-F47 HydrophobicContact CG1-CG 4.46Å; I27-F117 HydrophobicContact CD1-CD2 4.11Å; I27-F117 HydrophobicContact CG1-CD2 4.45Å; I27-F117 HydrophobicContact CG2-CE2 4.28Å; I27-H125 HydrophobicContact CD1-CB 3.97Å; I27-H125 WeakPolarHBondContact CD1-O 3.43Å |
| 28 | R | 92 | Very high | 77.2 | Confident | 146 Ų | 146 | 96.2 Ų | 96.2 | 55% | 0.551 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 118.8 | 169.5 | -67.6 | -174 | -74 | -158.2 | -1.5 | 109.5 | C45 N46 | R28-C45 CarbonylContact O-C 3.53Å; R28-C45 WeakPolarHBondContact O-CA 3.42Å; R28-N46 HydrophobicContact CB-CB 4.32Å; R28-N46 PolarHBondContact N-O 3.5Å; R28-N46 PolarHBondContact NH2-ND2 2.99Å; R28-N46 PolarHBondContact O-N 3.45Å |
| 29 | H | 94 | Very high | 79.5 | Confident | 39 Ų | 39 | 100 Ų | 100 | 18% | 0.181 | 51% | 0.514 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 167.5 | 174.6 | 64.9 | 93.5 | 0 | 0 | 0 | 108.6 | Q25 I27 N31 Q128 | Q25-H29 PolarHBondContact NE2-NE2 3.35Å; I27-H29 PolarHBondContact O-CD2 3.48Å; H29-N31 PolarHBondContact CE1-OD1 3Å; H29-N31 VanDerWaalsContact CE1-OD1 3.25Å; H29-Q128 PolarHBondContact CE1-O 3.3Å; H29-Q128 PolarHBondContact ND1-O 3.34Å; H29-Q128 VanDerWaalsContact ND1-O 3.1Å |
| 30 | K | 95.3 | Very high | 81.9 | Confident | 117 Ų | 117 | 96.4 Ų | 96.4 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | trans | -84.1 | 146.1 | 165.6 | -72.2 | 176.6 | 176 | 178.9 | 0 | 109.8 | E33 T129 | K30-E33 WeakPolarHBondContact CD-OE2 3.45Å; K30-E33 WeakPolarHBondContact CE-OE2 3.45Å; K30-E33 IonicContact NZ-OE1 2.83Å; K30-E33 PolarHBondContact NZ-OE1 2.86Å; K30-E33 IonicContact NZ-OE2 2.8Å; K30-E33 PolarHBondContact NZ-OE2 3.43Å; K30-T129 HydrophobicContact CB-CG2 4.44Å; K30-T129 VanDerWaalsContact O-CB 3.29Å; K30-T129 WeakPolarHBondContact O-CB 3.21Å; K30-T129 WeakPolarHBondContact O-CG2 3.22Å; K30-T129 PolarHBondContact O-OG1 3.08Å | ||
| 31 | N | 95.8 | Very high | 84.5 | Confident | 96 Ų | 96 | 88 Ų | 88 | 51% | 0.513 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -78 | -36.3 | 173.7 | -67.2 | -22.9 | 0 | 0 | 0 | 111.7 | H29 T129 C130 | H29-N31 PolarHBondContact CE1-OD1 3Å; H29-N31 VanDerWaalsContact CE1-OD1 3.25Å; N31-T129 WeakPolarHBondContact O-CA 3.39Å; N31-C130 PolarHBondContact O-N 2.68Å |
| 32 | Y | 97.1 | Very high | 87.1 | Confident | 176 Ų | 176 | 86 Ų | 86 | 69% | 0.69 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133 | 142.5 | -179.9 | -58.1 | -86.2 | 0 | 0 | 0 | 109.7 | C130 | Y32-C130 CarbonylContact C-O 3.54Å; Y32-C130 VanDerWaalsContact CA-O 3.31Å; Y32-C130 WeakPolarHBondContact CA-O 3.08Å; Y32-C130 HydrophobicContact CD1-CB 3.94Å; Y32-C130 HydrophobicContact CE1-CB 4.18Å |
| 33 | E | 97.3 | Very high | 89.5 | Confident | 39 Ų | 39 | 83.1 Ų | 83.1 | 18% | 0.182 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 147.9 | 173.5 | -168 | 69 | -83.9 | 0 | 0 | 109 | K30 V41 L43 T129 C130 L131 T132 | K30-E33 WeakPolarHBondContact CD-OE2 3.45Å; K30-E33 WeakPolarHBondContact CE-OE2 3.45Å; K30-E33 IonicContact NZ-OE1 2.83Å; K30-E33 PolarHBondContact NZ-OE1 2.86Å; K30-E33 IonicContact NZ-OE2 2.8Å; K30-E33 PolarHBondContact NZ-OE2 3.43Å; E33-V41 HydrophobicContact CG-CG2 4.06Å; E33-L43 HydrophobicContact CB-CD2 3.88Å; E33-L43 HydrophobicContact CG-CD2 3.89Å; E33-T129 HydrophobicContact CB-CG2 3.97Å; E33-C130 PolarHBondContact N-O 3.15Å; E33-L131 HydrophobicContact CB-CD1 4.32Å; E33-L131 HydrophobicContact CG-CD1 4.47Å; E33-L131 CarbonylContact O-C 3.52Å; E33-L131 WeakPolarHBondContact O-CA 3.49Å; E33-T132 PolarHBondContact O-N 2.92Å |
| 34 | T | 97.6 | Very high | 91.8 | Very high | 82 Ų | 82 | 81.3 Ų | 81.3 | 50% | 0.503 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 147.1 | 174.9 | 58.7 | 0 | 0 | 0 | 0 | 110.6 | T132 L134 | T34-T132 CarbonylContact C-O 3.46Å; T34-T132 VanDerWaalsContact CA-O 3.26Å; T34-T132 WeakPolarHBondContact CA-O 3.29Å; T34-L134 HydrophobicContact CG2-CD1 4.14Å; T34-L134 HydrophobicContact CG2-CG 4.46Å |
| 35 | A | 97.9 | Very high | 93.7 | Very high | 8 Ų | 8 | 73.3 Ų | 73.3 | 7% | 0.066 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 147.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V41 V105 L131 T132 I133 L134 | A35-V41 HydrophobicContact CB-CB 3.74Å; A35-V41 HydrophobicContact CB-CG1 4.39Å; A35-V41 HydrophobicContact CB-CG2 3.87Å; A35-V105 HydrophobicContact CB-CG2 3.99Å; A35-L131 HydrophobicContact CB-CD1 3.9Å; A35-T132 PolarHBondContact N-O 2.97Å; A35-I133 HydrophobicContact CB-CD1 3.99Å; A35-I133 CarbonylContact O-C 3.5Å; A35-I133 WeakPolarHBondContact O-CA 3.29Å; A35-L134 PolarHBondContact O-N 3.07Å |
| 36 | V | 98 | Very high | 95.3 | Very high | 52 Ų | 52 | 69 Ų | 69 | 32% | 0.315 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 133.9 | 175.3 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | G38 R39 V105 L134 V220 | V36-G38 PolarHBondContact O-N 3.34Å; V36-R39 HydrophobicContact CB-CB 4.26Å; V36-R39 HydrophobicContact CB-CG 3.8Å; V36-R39 HydrophobicContact CG1-CG 4.07Å; V36-R39 WeakPolarHBondContact O-CB 3.36Å; V36-R39 PolarHBondContact O-N 2.79Å; V36-V105 VanDerWaalsContact O-CG2 3.25Å; V36-V105 WeakPolarHBondContact O-CG2 3.31Å; V36-L134 WeakPolarHBondContact CA-O 3.31Å; V36-V220 HydrophobicContact CG1-CG1 3.85Å; V36-V220 HydrophobicContact CG2-CB 4.5Å; V36-V220 HydrophobicContact CG2-CG1 3.79Å; V36-V220 HydrophobicContact CG2-CG2 4.05Å |
| 37 | L | 98.1 | Very high | 95.7 | Very high | 61 Ų | 61 | 63.1 Ų | 63.1 | 32% | 0.319 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | 131.5 | 176.9 | -175.4 | 70.4 | 0 | 0 | 0 | 111.6 | R39 F107 I133 L134 | L37-R39 PolarHBondContact O-N 3.11Å; L37-F107 HydrophobicContact CD1-CD2 4.06Å; L37-F107 HydrophobicContact CD1-CE1 4.45Å; L37-F107 HydrophobicContact CD1-CE2 3.94Å; L37-F107 HydrophobicContact CD1-CG 4.4Å; L37-F107 HydrophobicContact CD1-CZ 4.15Å; L37-F107 HydrophobicContact CD2-CE2 3.81Å; L37-F107 HydrophobicContact CD2-CZ 3.93Å; L37-I133 HydrophobicContact CB-CG2 4.05Å; L37-I133 HydrophobicContact CD1-CG2 4.06Å; L37-L134 PolarHBondContact N-O 3.17Å |
| 38 | G | 97.3 | Very high | 95.6 | Very high | 49 Ų | 49 | 66 Ų | 66 | 51% | 0.505 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | -1.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | V36 V105 | V36-G38 PolarHBondContact O-N 3.34Å; G38-V105 PolarHBondContact N-O 3.49Å |
| 39 | R | 97.8 | Very high | 95 | Very high | 172 Ų | 172 | 60.5 Ų | 60.5 | 65% | 0.649 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -94.5 | 171.5 | 172.9 | -55.8 | -57 | -174.5 | 175 | -0.2 | 111.2 | V36 L37 G104 V105 | V36-R39 HydrophobicContact CB-CB 4.26Å; V36-R39 HydrophobicContact CB-CG 3.8Å; V36-R39 HydrophobicContact CG1-CG 4.07Å; V36-R39 WeakPolarHBondContact O-CB 3.36Å; V36-R39 PolarHBondContact O-N 2.79Å; L37-R39 PolarHBondContact O-N 3.11Å; R39-G104 PolarHBondContact O-N 3.49Å; R39-V105 WeakPolarHBondContact O-CG2 3.17Å; R39-V105 PolarHBondContact O-N 2.85Å |
| 40 | N | 97.9 | Very high | 94 | Very high | 102 Ų | 102 | 67.6 Ų | 67.6 | 55% | 0.545 | 35% | 0.353 | S | S | . | . | trans | -89.1 | 145.3 | 176.8 | -60.7 | -6.5 | 0 | 0 | 0 | 109.8 | I102 Q103 G104 | N40-I102 VanDerWaalsContact CA-O 3.32Å; N40-I102 WeakPolarHBondContact CA-O 3.38Å; N40-Q103 VanDerWaalsContact OD1-CA 3.25Å; N40-Q103 WeakPolarHBondContact OD1-CA 3.32Å; N40-G104 PolarHBondContact OD1-N 3Å | ||
| 41 | V | 97.7 | Very high | 93.3 | Very high | 9 Ų | 9 | 62.7 Ų | 62.7 | 6% | 0.055 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 143.3 | 172.7 | 69.2 | 0 | 0 | 0 | 0 | 109.9 | E33 A35 L43 T101 I102 V105 L131 | E33-V41 HydrophobicContact CG-CG2 4.06Å; A35-V41 HydrophobicContact CB-CB 3.74Å; A35-V41 HydrophobicContact CB-CG1 4.39Å; A35-V41 HydrophobicContact CB-CG2 3.87Å; V41-L43 HydrophobicContact CG2-CD2 4.25Å; V41-T101 CarbonylContact O-C 3.58Å; V41-T101 VanDerWaalsContact O-CA 3.24Å; V41-T101 WeakPolarHBondContact O-CA 3.45Å; V41-I102 HydrophobicContact CG1-CB 4.03Å; V41-I102 PolarHBondContact N-O 3.4Å; V41-I102 PolarHBondContact O-N 3.4Å; V41-V105 HydrophobicContact CB-CG1 4.13Å; V41-V105 HydrophobicContact CG1-CG1 3.48Å; V41-V105 VanDerWaalsContact CG1-CG1 3.48Å; V41-L131 HydrophobicContact CG1-CD1 4.4Å; V41-L131 HydrophobicContact CG1-CD2 3.98Å; V41-L131 HydrophobicContact CG2-CD1 3.95Å |
| 42 | T | 97.4 | Very high | 92.8 | Very high | 66 Ų | 66 | 63.7 Ų | 63.7 | 41% | 0.405 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 118.9 | 174.9 | -55.5 | 0 | 0 | 0 | 0 | 109.7 | F99 M100 T101 | T42-F99 HydrophobicContact CG2-CB 4.07Å; T42-F99 HydrophobicContact CG2-CD1 4.13Å; T42-M100 CarbonylContact C-O 3.51Å; T42-M100 WeakPolarHBondContact CA-O 3.41Å; T42-T101 PolarHBondContact OG1-OG1 3.49Å |
| 43 | L | 97.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 147.1 | 169.9 | -54 | -170.2 | 0 | 0 | 0 | 109.6 | E33 V41 W58 F99 M100 Y113 T129 | E33-L43 HydrophobicContact CB-CD2 3.88Å; E33-L43 HydrophobicContact CG-CD2 3.89Å; V41-L43 HydrophobicContact CG2-CD2 4.25Å; L43-W58 HydrophobicContact CB-CH2 4.02Å; L43-W58 HydrophobicContact CB-CZ3 3.99Å; L43-F99 CarbonylContact O-C 3.51Å; L43-F99 VanDerWaalsContact O-CA 3.32Å; L43-F99 WeakPolarHBondContact O-CA 3.32Å; L43-M100 HydrophobicContact CB-CE 4.26Å; L43-M100 HydrophobicContact CD1-CE 3.61Å; L43-M100 HydrophobicContact CG-CE 4.11Å; L43-M100 PolarHBondContact N-O 3.49Å; L43-M100 PolarHBondContact O-N 3.39Å; L43-Y113 HydrophobicContact CD1-CD2 3.76Å; L43-Y113 HydrophobicContact CD1-CG 3.79Å; L43-T129 HydrophobicContact CD2-CG2 4.12Å |
| 44 | F | 94.9 | Very high | 92.1 | Very high | 72 Ų | 72 | 58.4 Ų | 58.4 | 32% | 0.316 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 138.7 | -175.2 | 168.2 | -104.2 | 0 | 0 | 0 | 111.7 | N46 A97 S98 F99 | F44-N46 HydrophobicContact CE1-CB 3.72Å; F44-N46 HydrophobicContact CE2-CB 4.07Å; F44-N46 HydrophobicContact CZ-CB 3.34Å; F44-A97 HydrophobicContact CE2-CB 3.99Å; F44-S98 WeakPolarHBondContact CA-O 3.39Å; F44-S98 WeakPolarHBondContact CD2-O 3.27Å; F44-F99 HydrophobicContact CB-CD1 4.08Å; F44-F99 HydrophobicContact CB-CE1 4.21Å; F44-F99 AromaticContact CD2-CD1 3.52Å; F44-F99 HydrophobicContact CD2-CD1 3.52Å; F44-F99 HydrophobicContact CD2-CD2 4.28Å; F44-F99 AromaticContact CD2-CE1 3.12Å; F44-F99 HydrophobicContact CD2-CE1 3.12Å; F44-F99 AromaticContact CD2-CE2 3.93Å; F44-F99 HydrophobicContact CD2-CE2 3.93Å; F44-F99 HydrophobicContact CD2-CG 4.09Å; F44-F99 AromaticContact CD2-CZ 3.35Å; F44-F99 HydrophobicContact CD2-CZ 3.35Å; F44-F99 HydrophobicContact CE2-CD1 4.35Å; F44-F99 AromaticContact CE2-CE1 3.6Å; F44-F99 HydrophobicContact CE2-CE1 3.6Å; F44-F99 AromaticContact CE2-CE2 3.88Å; F44-F99 HydrophobicContact CE2-CE2 3.88Å; F44-F99 AromaticContact CE2-CZ 3.32Å; F44-F99 HydrophobicContact CE2-CZ 3.32Å; F44-F99 HydrophobicContact CG-CD1 4.22Å; F44-F99 AromaticContact CG-CE1 3.93Å; F44-F99 HydrophobicContact CG-CE1 3.93Å; F44-F99 HydrophobicContact CG-CZ 4.49Å; F44-F99 HydrophobicContact CZ-CZ 4.46Å |
| 45 | C | 94.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 137.8 | 168.4 | -69.4 | 0 | 0 | 0 | 0 | 111.3 | I27 R28 W58 A97 S98 C115 F117 | I27-C45 HydrophobicContact CG2-CB 4.24Å; R28-C45 CarbonylContact O-C 3.53Å; R28-C45 WeakPolarHBondContact O-CA 3.42Å; C45-W58 HydrophobicContact CB-CH2 4.34Å; C45-A97 CarbonylContact O-C 3.51Å; C45-A97 WeakPolarHBondContact O-CA 3.46Å; C45-S98 PolarHBondContact N-O 3.45Å; C45-S98 PolarHBondContact O-N 3.49Å; C45-C115 HydrophobicContact CB-CB 3.62Å; C45-C115 WeakPolarHBondContact CB-SG 3.37Å; C45-C115 WeakPolarHBondContact SG-CB 3.31Å; C45-C115 CovalentContact SG-SG 2.01Å; C45-C115 PolarHBondContact SG-SG 2.93Å; C45-F117 HydrophobicContact CB-CE2 3.92Å; C45-F117 HydrophobicContact CB-CZ 4.1Å |
| 46 | N | 92.6 | Very high | 91.7 | Very high | 26 Ų | 26 | 57.2 Ų | 57.2 | 14% | 0.139 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 121.2 | 174.8 | 174.3 | -29.4 | 0 | 0 | 0 | 111.1 | I27 R28 F44 S96 A97 | I27-N46 CarbonylContact C-O 3.59Å; I27-N46 VanDerWaalsContact CA-O 3.27Å; I27-N46 WeakPolarHBondContact CA-O 3.32Å; R28-N46 HydrophobicContact CB-CB 4.32Å; R28-N46 PolarHBondContact N-O 3.5Å; R28-N46 PolarHBondContact NH2-ND2 2.99Å; R28-N46 PolarHBondContact O-N 3.45Å; F44-N46 HydrophobicContact CE1-CB 3.72Å; F44-N46 HydrophobicContact CE2-CB 4.07Å; F44-N46 HydrophobicContact CZ-CB 3.34Å; N46-S96 CarbonylContact C-O 3.53Å; N46-S96 VanDerWaalsContact CA-O 3.26Å; N46-S96 WeakPolarHBondContact CA-O 3.32Å; N46-A97 HydrophobicContact CB-CB 4.33Å |
| 47 | F | 90.7 | Very high | 91.6 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.009 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 108 | 177.1 | -172.1 | -128.8 | 0 | 0 | 0 | 111.1 | R26 I27 S49 A51 V53 S96 F117 I119 H125 | R26-F47 HydrophobicContact CB-CE2 4.15Å; R26-F47 HydrophobicContact CG-CD2 3.89Å; R26-F47 HydrophobicContact CG-CE2 3.41Å; R26-F47 VanDerWaalsContact CG-CE2 3.41Å; R26-F47 HydrophobicContact CG-CZ 4.11Å; R26-F47 WeakPolarHBondContact O-CD2 3.46Å; I27-F47 HydrophobicContact CD1-CD2 4.14Å; I27-F47 HydrophobicContact CD1-CE2 4.49Å; I27-F47 HydrophobicContact CG1-CD2 3.5Å; I27-F47 HydrophobicContact CG1-CE2 4.15Å; I27-F47 HydrophobicContact CG1-CG 4.46Å; F47-S49 PolarHBondContact O-N 3Å; F47-A51 HydrophobicContact CE1-CB 4.14Å; F47-V53 HydrophobicContact CD1-CG2 4.05Å; F47-S96 PolarHBondContact N-O 3.16Å; F47-S96 WeakPolarHBondContact O-CB 3.16Å; F47-F117 HydrophobicContact CB-CD1 3.73Å; F47-F117 HydrophobicContact CB-CD2 3.85Å; F47-F117 HydrophobicContact CB-CE1 3.72Å; F47-F117 HydrophobicContact CB-CE2 3.84Å; F47-F117 HydrophobicContact CB-CG 3.8Å; F47-F117 HydrophobicContact CB-CZ 3.78Å; F47-F117 HydrophobicContact CD1-CB 4.39Å; F47-F117 HydrophobicContact CD1-CD1 4.49Å; F47-F117 HydrophobicContact CD1-CG 4.41Å; F47-F117 HydrophobicContact CG-CB 4.4Å; F47-F117 HydrophobicContact CG-CD1 4.32Å; F47-F117 HydrophobicContact CG-CD2 4.29Å; F47-F117 HydrophobicContact CG-CG 4.08Å; F47-I119 HydrophobicContact CD1-CD1 4.19Å; F47-I119 HydrophobicContact CE1-CD1 3.26Å; F47-I119 HydrophobicContact CZ-CD1 3.62Å; F47-H125 HydrophobicContact CE2-CB 3.77Å; F47-H125 HydrophobicContact CZ-CB 4.2Å; F47-H125 AromaticContact CZ-CD2 3.73Å |
| 48 | S | 86.3 | Confident | 91.5 | Very high | 70 Ų | 70 | 52.2 Ų | 52.2 | 49% | 0.49 | 29% | 0.285 | S | S | . | . | trans | -72.4 | 17.3 | -175 | -54.1 | 0 | 0 | 0 | 0 | 114.6 | R26 | R26-S48 PolarHBondContact O-N 3.26Š| ||
| 49 | S | 79.8 | Confident | 91.5 | Very high | 32 Ų | 32 | 51 Ų | 51 | 22% | 0.224 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -109 | 141.1 | -176.7 | -169.3 | 0 | 0 | 0 | 0 | 111.5 | F47 A51 | F47-S49 PolarHBondContact O-N 3Å; S49-A51 PolarHBondContact O-N 2.92Å |
| 50 | L | 72 | Confident | 91.5 | Very high | 187 Ų | 187 | 43.4 Ų | 43.4 | 98% | 0.979 | 24% | 0.237 | S | C | * | . | trans | -73.5 | 17.2 | 172.7 | -58.9 | 175.3 | 0 | 0 | 0 | 113.5 | ||||
| 51 | A | 80.3 | Confident | 91.3 | Very high | 14 Ų | 14 | 40.1 Ų | 40.1 | 12% | 0.116 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -72.7 | 148.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | F47 S49 V53 I119 | F47-A51 HydrophobicContact CE1-CB 4.14Å; S49-A51 PolarHBondContact O-N 2.92Å; A51-V53 PolarHBondContact O-N 3.41Å; A51-I119 HydrophobicContact CB-CD1 3.91Å; A51-I119 HydrophobicContact CB-CG1 4.27Å; A51-I119 HydrophobicContact CB-CG2 4.07Å |
| 52 | N | 85.7 | Confident | 90.7 | Very high | 117 Ų | 117 | 44.4 Ų | 44.4 | 63% | 0.626 | 24% | 0.239 | S | C | * | . | trans | -70.8 | 99.4 | 175.5 | -172.4 | 17.6 | 0 | 0 | 0 | 110.4 | L54 | N52-L54 PolarHBondContact O-N 3Š| ||
| 53 | V | 89.2 | Confident | 89.9 | Confident | 15 Ų | 15 | 45.1 Ų | 45.1 | 9% | 0.091 | 26% | 0.26 | C | S | . | . | trans | -77.3 | 115.1 | 175.9 | 178.3 | 0 | 0 | 0 | 0 | 108.6 | F47 A51 I56 P95 F117 I119 | F47-V53 HydrophobicContact CD1-CG2 4.05Å; A51-V53 PolarHBondContact O-N 3.41Å; V53-I56 HydrophobicContact CG1-CG1 3.85Å; V53-P95 HydrophobicContact CB-CB 4.42Å; V53-P95 WeakPolarHBondContact CB-O 3.41Å; V53-P95 WeakPolarHBondContact CG2-O 3.45Å; V53-F117 HydrophobicContact CG1-CB 4.29Å; V53-F117 HydrophobicContact CG1-CD1 3.91Å; V53-F117 HydrophobicContact CG2-CB 4.37Å; V53-F117 HydrophobicContact CG2-CD1 4Å; V53-I119 HydrophobicContact CG2-CD1 4.36Å; V53-I119 HydrophobicContact CG2-CG1 4.18Å | ||
| 54 | L | 90.8 | Very high | 89.1 | Confident | 89 Ų | 89 | 50.9 Ų | 50.9 | 47% | 0.466 | 30% | 0.3 | S | S | . | . | trans | -81.8 | -38.2 | -179.4 | -60.9 | 179.1 | 0 | 0 | 0 | 112 | N52 S73 N118 F120 | N52-L54 PolarHBondContact O-N 3Å; L54-S73 WeakPolarHBondContact O-CB 3.36Å; L54-N118 PolarHBondContact N-O 3.44Å; L54-F120 HydrophobicContact CD1-CB 3.53Å | ||
| 55 | Q | 92.9 | Very high | 88.8 | Confident | 63 Ų | 63 | 52.3 Ų | 52.3 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 144.5 | -176.8 | -176.1 | 179.7 | -70.2 | 0 | 0 | 110.3 | T57 Y72 N118 | Q55-T57 PolarHBondContact NE2-OG1 2.77Å; Q55-T57 VanDerWaalsContact NE2-OG1 3.11Å; Q55-Y72 CarbonylContact C-O 3.6Å; Q55-Y72 WeakPolarHBondContact CA-O 3.13Å; Q55-Y72 WeakPolarHBondContact CG-O 3.32Å; Q55-N118 HydrophobicContact CB-CB 4.41Å; Q55-N118 WeakPolarHBondContact O-CB 3.48Å; Q55-N118 PolarHBondContact O-N 3.36Å; Q55-N118 PolarHBondContact O-ND2 3.37Å |
| 56 | I | 94 | Very high | 88.7 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.015 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 128.7 | 169.4 | -58.1 | 165 | 0 | 0 | 0 | 108.1 | V53 T71 Y72 T92 L116 F117 | V53-I56 HydrophobicContact CG1-CG1 3.85Å; I56-T71 CarbonylContact O-C 3.57Å; I56-T71 VanDerWaalsContact O-CA 3.25Å; I56-T71 WeakPolarHBondContact O-CA 3.37Å; I56-Y72 PolarHBondContact N-O 3.06Å; I56-Y72 PolarHBondContact O-N 3.38Å; I56-T92 HydrophobicContact CD1-CG2 3.66Å; I56-L116 CarbonylContact C-O 3.59Å; I56-L116 VanDerWaalsContact CA-O 3.28Å; I56-L116 WeakPolarHBondContact CA-O 3.46Å; I56-F117 HydrophobicContact CD1-CD1 4.17Å; I56-F117 HydrophobicContact CD1-CE1 3.86Å; I56-F117 HydrophobicContact CG1-CD1 3.86Å; I56-F117 HydrophobicContact CG1-CE1 4.02Å |
| 57 | T | 95.5 | Very high | 88.9 | Confident | 7 Ų | 7 | 57.7 Ų | 57.7 | 4% | 0.043 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 127.5 | 177.7 | -56.5 | 0 | 0 | 0 | 0 | 109.3 | Q55 Q59 N68 T71 C115 L116 N118 | Q55-T57 PolarHBondContact NE2-OG1 2.77Å; Q55-T57 VanDerWaalsContact NE2-OG1 3.11Å; T57-Q59 HydrophobicContact CG2-CG 4.04Å; T57-N68 HydrophobicContact CG2-CB 4.39Å; T57-N68 WeakPolarHBondContact CG2-OD1 3.32Å; T57-T71 HydrophobicContact CG2-CG2 3.91Å; T57-C115 CarbonylContact O-C 3.53Å; T57-L116 PolarHBondContact N-O 3.17Å; T57-L116 PolarHBondContact O-N 2.94Å; T57-N118 PolarHBondContact OG1-ND2 3.49Å; T57-N118 VanDerWaalsContact OG1-ND2 3.08Å |
| 58 | W | 97 | Very high | 89.2 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 0% | 0.004 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 133.7 | 168.9 | -72.6 | 93.7 | 0 | 0 | 0 | 109.7 | L43 C45 I69 G70 C90 S98 M100 K114 C115 | L43-W58 HydrophobicContact CB-CH2 4.02Å; L43-W58 HydrophobicContact CB-CZ3 3.99Å; C45-W58 HydrophobicContact CB-CH2 4.34Å; W58-I69 HydrophobicContact CB-CD1 4.42Å; W58-I69 HydrophobicContact CB-CG1 4.04Å; W58-I69 VanDerWaalsContact O-CG1 3.3Å; W58-I69 WeakPolarHBondContact O-CG1 3.25Å; W58-I69 PolarHBondContact O-N 3.14Å; W58-G70 PolarHBondContact N-O 3.31Å; W58-G70 PolarHBondContact O-N 3.4Å; W58-C90 VanDerWaalsContact CD1-SG 3.53Å; W58-S98 PolarHBondContact NE1-OG 3.43Å; W58-M100 HydrophobicContact CB-SD 3.62Å; W58-M100 HydrophobicContact CD2-CB 3.6Å; W58-M100 HydrophobicContact CD2-CE 4.24Å; W58-M100 HydrophobicContact CD2-CG 4.18Å; W58-M100 HydrophobicContact CD2-SD 3.67Å; W58-M100 HydrophobicContact CE3-CB 3.96Å; W58-M100 HydrophobicContact CE3-CE 3.65Å; W58-M100 HydrophobicContact CE3-CG 4.48Å; W58-M100 HydrophobicContact CE3-SD 3.69Å; W58-M100 HydrophobicContact CG-CB 4.06Å; W58-M100 HydrophobicContact CG-CG 4.26Å; W58-M100 HydrophobicContact CG-SD 3.66Å; W58-M100 HydrophobicContact CH2-CB 4.09Å; W58-M100 HydrophobicContact CZ2-CB 3.77Å; W58-M100 HydrophobicContact CZ3-CB 4.18Å; W58-M100 HydrophobicContact CZ3-CE 4.02Å; W58-K114 CarbonylContact C-O 3.52Å; W58-K114 WeakPolarHBondContact CA-O 3.46Å; W58-C115 HydrophobicContact CD2-CB 4.13Å; W58-C115 HydrophobicContact CE3-CB 3.9Å; W58-C115 HydrophobicContact CH2-CB 3.73Å; W58-C115 HydrophobicContact CZ2-CB 3.94Å; W58-C115 HydrophobicContact CZ3-CB 3.7Å |
| 59 | Q | 97.2 | Very high | 89.7 | Confident | 22 Ų | 22 | 58.3 Ų | 58.3 | 10% | 0.103 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 143.5 | 179.9 | -57.2 | -175.2 | -43.8 | 0 | 0 | 110.7 | T57 P66 H67 N68 Y113 K114 L116 | T57-Q59 HydrophobicContact CG2-CG 4.04Å; Q59-P66 HydrophobicContact CB-CB 4.36Å; Q59-H67 CarbonylContact C-O 3.56Å; Q59-H67 WeakPolarHBondContact CA-O 3.33Å; Q59-H67 WeakPolarHBondContact CB-O 3.28Å; Q59-N68 WeakPolarHBondContact CG-OD1 3.39Å; Q59-N68 PolarHBondContact NE2-OD1 3.42Å; Q59-Y113 CarbonylContact O-C 3.5Å; Q59-Y113 WeakPolarHBondContact O-CA 3.13Å; Q59-K114 HydrophobicContact CB-CB 4.28Å; Q59-K114 PolarHBondContact N-O 3.49Å; Q59-K114 PolarHBondContact O-N 3.49Å; Q59-L116 VanDerWaalsContact CD-CD1 3.48Å; Q59-L116 HydrophobicContact CG-CD1 4.21Å |
| 60 | K | 97 | Very high | 90.4 | Very high | 13 Ų | 13 | 56.8 Ų | 56.8 | 6% | 0.057 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 130.1 | 164.6 | -173.8 | -177.1 | -172.9 | 175.5 | 0 | 108.8 | Q62 H67 I69 Y84 E108 A111 Y113 | K60-Q62 HydrophobicContact CD-CG 4.1Å; K60-Q62 HydrophobicContact CG-CG 4.21Å; K60-H67 PolarHBondContact N-O 3.32Å; K60-H67 PolarHBondContact O-N 2.99Å; K60-I69 HydrophobicContact CB-CD1 4.32Å; K60-I69 HydrophobicContact CB-CG2 3.78Å; K60-Y84 HydrophobicContact CD-CE2 4.26Å; K60-Y84 WeakPolarHBondContact CD-OH 3.38Å; K60-Y84 PolarHBondContact NZ-OH 3.46Å; K60-E108 WeakPolarHBondContact CE-O 3.38Å; K60-E108 PolarHBondContact NZ-O 3.41Å; K60-A111 HydrophobicContact CD-CB 4.4Å; K60-A111 HydrophobicContact CG-CB 3.87Å; K60-Y113 HydrophobicContact CB-CD1 4.15Å; K60-Y113 HydrophobicContact CB-CE1 3.91Å; K60-Y113 HydrophobicContact CD-CE1 4.31Å; K60-Y113 HydrophobicContact CG-CD1 4.37Å; K60-Y113 HydrophobicContact CG-CE1 3.84Å |
| 61 | I | 95.3 | Very high | 91.6 | Very high | 34 Ų | 34 | 49 Ų | 49 | 17% | 0.174 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 112.5 | 175.6 | -54.9 | 173.4 | 0 | 0 | 0 | 107.3 | C112 K114 Q128 | I61-C112 HydrophobicContact CB-CB 4.33Å; I61-C112 VanDerWaalsContact CB-O 3.29Å; I61-C112 WeakPolarHBondContact CB-O 3.33Å; I61-C112 HydrophobicContact CD1-CB 4.16Å; I61-C112 WeakPolarHBondContact CG1-O 3.47Å; I61-C112 PolarHBondContact N-O 2.69Å; I61-K114 HydrophobicContact CD1-CB 4.31Å; I61-Q128 HydrophobicContact CD1-CG 4.05Å |
| 62 | Q | 83.3 | Confident | 92.2 | Very high | 98 Ų | 98 | 51.5 Ų | 51.5 | 46% | 0.458 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 114.2 | 172.3 | -74.1 | 179.9 | -28.2 | 0 | 0 | 108.2 | K60 S64 L65 | K60-Q62 HydrophobicContact CD-CG 4.1Å; K60-Q62 HydrophobicContact CG-CG 4.21Å; Q62-S64 PolarHBondContact O-N 3.19Å; Q62-L65 PolarHBondContact N-O 3.47Å; Q62-L65 PolarHBondContact O-N 3.21Å; Q62-L65 VanDerWaalsContact O-N 3.16Å |
| 63 | G | 82.1 | Confident | 92.5 | Very high | 82 Ų | 82 | 46.2 Ų | 46.2 | 85% | 0.845 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | -117.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 64 | S | 79.1 | Confident | 92.4 | Very high | 121 Ų | 121 | 54 Ų | 54 | 85% | 0.846 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | -5.2 | 178.2 | 57.3 | 0 | 0 | 0 | 0 | 114.7 | Q62 | Q62-S64 PolarHBondContact O-N 3.19Š|
| 65 | L | 89.3 | Confident | 92.3 | Very high | 103 Ų | 103 | 55 Ų | 55 | 54% | 0.539 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 118.2 | -170.9 | -167.3 | 66.6 | 0 | 0 | 0 | 111.9 | Q62 H67 | Q62-L65 PolarHBondContact N-O 3.47Å; Q62-L65 PolarHBondContact O-N 3.21Å; Q62-L65 VanDerWaalsContact O-N 3.16Å; L65-H67 PolarHBondContact O-ND1 3.33Å |
| 66 | P | 93.5 | Very high | 92.2 | Very high | 62 Ų | 62 | 61.4 Ų | 61.4 | 40% | 0.403 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 128.7 | 173 | 29.7 | -32.7 | 0 | 0 | 0 | 111.2 | Q59 | Q59-P66 HydrophobicContact CB-CB 4.36Å |
| 67 | H | 95.7 | Very high | 92.2 | Very high | 77 Ų | 77 | 62.5 Ų | 62.5 | 36% | 0.356 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 128.9 | 176.2 | -63.5 | 80 | 0 | 0 | 0 | 109.9 | Q59 K60 L65 I69 | Q59-H67 CarbonylContact C-O 3.56Å; Q59-H67 WeakPolarHBondContact CA-O 3.33Å; Q59-H67 WeakPolarHBondContact CB-O 3.28Å; K60-H67 PolarHBondContact N-O 3.32Å; K60-H67 PolarHBondContact O-N 2.99Å; L65-H67 PolarHBondContact O-ND1 3.33Å; H67-I69 PolarHBondContact O-N 2.94Å |
| 68 | N | 96.4 | Very high | 92.1 | Very high | 80 Ų | 80 | 66.5 Ų | 66.5 | 43% | 0.428 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 129.1 | 173.3 | -66 | -19 | 0 | 0 | 0 | 109.4 | T57 Q59 L81 | T57-N68 HydrophobicContact CG2-CB 4.39Å; T57-N68 WeakPolarHBondContact CG2-OD1 3.32Å; Q59-N68 WeakPolarHBondContact CG-OD1 3.39Å; Q59-N68 PolarHBondContact NE2-OD1 3.42Å; N68-L81 HydrophobicContact CB-CD1 3.82Å; N68-L81 VanDerWaalsContact O-CD1 3.31Å; N68-L81 WeakPolarHBondContact O-CD1 3.38Å |
| 69 | I | 96.8 | Very high | 92 | Very high | 5 Ų | 5 | 72.9 Ų | 72.9 | 3% | 0.026 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | -24.1 | 178.8 | 58.4 | 174.4 | 0 | 0 | 0 | 112.2 | W58 K60 H67 L81 Y84 L88 M100 Y113 | W58-I69 HydrophobicContact CB-CD1 4.42Å; W58-I69 HydrophobicContact CB-CG1 4.04Å; W58-I69 VanDerWaalsContact O-CG1 3.3Å; W58-I69 WeakPolarHBondContact O-CG1 3.25Å; W58-I69 PolarHBondContact O-N 3.14Å; K60-I69 HydrophobicContact CB-CD1 4.32Å; K60-I69 HydrophobicContact CB-CG2 3.78Å; H67-I69 PolarHBondContact O-N 2.94Å; I69-L81 PolarHBondContact O-N 3.07Å; I69-Y84 HydrophobicContact CB-CD2 3.77Å; I69-Y84 HydrophobicContact CB-CE2 4.19Å; I69-Y84 HydrophobicContact CG2-CD2 3.65Å; I69-Y84 HydrophobicContact CG2-CE2 3.64Å; I69-L88 HydrophobicContact CD1-CD1 3.81Å; I69-L88 HydrophobicContact CG1-CD1 4.27Å; I69-M100 HydrophobicContact CD1-CE 4.32Å; I69-M100 HydrophobicContact CD1-SD 3.62Å; I69-M100 HydrophobicContact CG1-SD 4.38Å; I69-Y113 HydrophobicContact CD1-CD1 3.67Å; I69-Y113 HydrophobicContact CD1-CE1 3.7Å |
| 70 | G | 96.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | 149.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | W58 K79 | W58-G70 PolarHBondContact N-O 3.31Å; W58-G70 PolarHBondContact O-N 3.4Å; G70-K79 CarbonylContact C-O 2.99Å; G70-K79 VanDerWaalsContact CA-O 3.31Å; G70-K79 WeakPolarHBondContact CA-O 3.17Å |
| 71 | T | 95.3 | Very high | 92 | Very high | 22 Ų | 22 | 75.3 Ų | 75.3 | 14% | 0.135 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 145.9 | 174.6 | 56.1 | 0 | 0 | 0 | 0 | 109.8 | I56 T57 K79 | I56-T71 CarbonylContact O-C 3.57Å; I56-T71 VanDerWaalsContact O-CA 3.25Å; I56-T71 WeakPolarHBondContact O-CA 3.37Å; T57-T71 HydrophobicContact CG2-CG2 3.91Å; T71-K79 PolarHBondContact N-O 3.32Å; T71-K79 PolarHBondContact O-N 3.02Å |
| 72 | Y | 93.6 | Very high | 92 | Very high | 68 Ų | 68 | 78.6 Ų | 78.6 | 27% | 0.267 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 130.7 | 170.1 | -179.7 | -85.2 | 0 | 0 | 0 | 109.2 | Q55 I56 G77 E78 T92 | Q55-Y72 CarbonylContact C-O 3.6Å; Q55-Y72 WeakPolarHBondContact CA-O 3.13Å; Q55-Y72 WeakPolarHBondContact CG-O 3.32Å; I56-Y72 PolarHBondContact N-O 3.06Å; I56-Y72 PolarHBondContact O-N 3.38Å; Y72-G77 WeakPolarHBondContact CA-O 3.5Å; Y72-E78 HydrophobicContact CD2-CB 4.32Å; Y72-T92 HydrophobicContact CD1-CG2 4.18Å; Y72-T92 WeakPolarHBondContact CD1-OG1 3.25Å; Y72-T92 HydrophobicContact CE1-CG2 4.02Å; Y72-T92 WeakPolarHBondContact CE1-OG1 3.12Å; Y72-T92 VanDerWaalsContact CG-OG1 3.31Å |
| 73 | S | 91.8 | Very high | 92.5 | Very high | 6 Ų | 6 | 78.9 Ų | 78.9 | 4% | 0.042 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 153.2 | 169.9 | 66.3 | 0 | 0 | 0 | 0 | 109.7 | L54 T75 Y76 G77 | L54-S73 WeakPolarHBondContact O-CB 3.36Å; S73-T75 PolarHBondContact O-N 3.36Å; S73-Y76 WeakPolarHBondContact OG-CB 3.06Å; S73-Y76 WeakPolarHBondContact OG-CD2 3.48Å; S73-Y76 PolarHBondContact OG-N 2.9Å; S73-G77 PolarHBondContact N-O 3.3Å; S73-G77 VanDerWaalsContact N-O 3.09Å; S73-G77 VanDerWaalsContact O-CA 3.23Å; S73-G77 WeakPolarHBondContact O-CA 3.12Å; S73-G77 PolarHBondContact O-N 2.75Å |
| 74 | H | 87.1 | Confident | 93.1 | Very high | 177 Ų | 177 | 75.1 Ų | 75.1 | 82% | 0.819 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -34.2 | 176 | -174.1 | -85.8 | 0 | 0 | 0 | 111.9 | ||
| 75 | T | 89.4 | Confident | 93.9 | Very high | 111 Ų | 111 | 72.6 Ų | 72.6 | 68% | 0.681 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -41.7 | -176.6 | -48.3 | 0 | 0 | 0 | 0 | 113.3 | S73 | S73-T75 PolarHBondContact O-N 3.36Š|
| 76 | Y | 91.4 | Very high | 94.1 | Very high | 197 Ų | 197 | 75 Ų | 75 | 77% | 0.773 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | -3.5 | -172.5 | -54.9 | -72.2 | 0 | 0 | 0 | 113.7 | S73 | S73-Y76 WeakPolarHBondContact OG-CB 3.06Å; S73-Y76 WeakPolarHBondContact OG-CD2 3.48Å; S73-Y76 PolarHBondContact OG-N 2.9Å |
| 77 | G | 92.1 | Very high | 94.2 | Very high | 26 Ų | 26 | 75.5 Ų | 75.5 | 27% | 0.268 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 67.7 | -153.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y72 S73 | Y72-G77 WeakPolarHBondContact CA-O 3.5Å; S73-G77 PolarHBondContact N-O 3.3Å; S73-G77 VanDerWaalsContact N-O 3.09Å; S73-G77 VanDerWaalsContact O-CA 3.23Å; S73-G77 WeakPolarHBondContact O-CA 3.12Å; S73-G77 PolarHBondContact O-N 2.75Å |
| 78 | E | 94.5 | Very high | 94.2 | Very high | 92 Ų | 92 | 72.1 Ų | 72.1 | 43% | 0.43 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 134.8 | 177.7 | 179 | -176.1 | -113.1 | 0 | 0 | 111.3 | Y72 I80 Q89 C90 | Y72-E78 HydrophobicContact CD2-CB 4.32Å; E78-I80 HydrophobicContact CG-CD1 3.55Å; E78-I80 HydrophobicContact CG-CG1 3.92Å; E78-Q89 WeakPolarHBondContact OE1-CA 3.23Å; E78-C90 HydrophobicContact CG-CB 4.26Å; E78-C90 WeakPolarHBondContact OE1-CA 3.47Å; E78-C90 PolarHBondContact OE1-N 3.19Å |
| 79 | K | 95.8 | Very high | 94.2 | Very high | 134 Ų | 134 | 71.8 Ų | 71.8 | 58% | 0.583 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 116.3 | 170.3 | -179.4 | 178.9 | -175.4 | 175.8 | 0 | 109.6 | G70 T71 | G70-K79 CarbonylContact C-O 2.99Å; G70-K79 VanDerWaalsContact CA-O 3.31Å; G70-K79 WeakPolarHBondContact CA-O 3.17Å; T71-K79 PolarHBondContact N-O 3.32Å; T71-K79 PolarHBondContact O-N 3.02Å |
| 80 | I | 97.3 | Very high | 94 | Very high | 31 Ų | 31 | 71.6 Ų | 71.6 | 16% | 0.159 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 138.4 | 179.1 | -53 | -45.9 | 0 | 0 | 0 | 109.6 | E78 Y84 L88 C90 | E78-I80 HydrophobicContact CG-CD1 3.55Å; E78-I80 HydrophobicContact CG-CG1 3.92Å; I80-Y84 WeakPolarHBondContact CG2-O 3.43Å; I80-L88 HydrophobicContact CD1-CD2 3.45Å; I80-L88 VanDerWaalsContact CD1-CD2 3.45Å; I80-L88 HydrophobicContact CG1-CD2 4.29Å; I80-L88 HydrophobicContact CG2-CB 4.07Å; I80-L88 HydrophobicContact CG2-CD2 4.24Å; I80-C90 HydrophobicContact CD1-CB 4.33Å |
| 81 | L | 96.6 | Very high | 93.8 | Very high | 56 Ų | 56 | 77.9 Ų | 77.9 | 29% | 0.293 | 39% | 0.393 | S | S | . | . | trans | -104.7 | 150.2 | -178.9 | -60.6 | 175.6 | 0 | 0 | 0 | 110.8 | N68 I69 Y84 | N68-L81 HydrophobicContact CB-CD1 3.82Å; N68-L81 VanDerWaalsContact O-CD1 3.31Å; N68-L81 WeakPolarHBondContact O-CD1 3.38Å; I69-L81 PolarHBondContact O-N 3.07Å; L81-Y84 WeakPolarHBondContact O-CB 3.34Å; L81-Y84 PolarHBondContact O-N 3.33Å | ||
| 82 | P | 94.6 | Very high | 93.4 | Very high | 103 Ų | 103 | 78.2 Ų | 78.2 | 67% | 0.669 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 147.8 | 171.8 | -25 | 34.8 | 0 | 0 | 0 | 112.3 | Y84 V85 | P82-Y84 VanDerWaalsContact C-N 3.33Å; P82-V85 HydrophobicContact CG-CG2 4.08Å |
| 83 | P | 93 | Very high | 92.9 | Very high | 104 Ų | 104 | 79.8 Ų | 79.8 | 68% | 0.675 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -87.8 | 12.6 | 2.3 | 36.8 | -37 | 0 | 0 | 0 | 114 | V85 | P83-V85 PolarHBondContact O-N 3.21Š|
| 84 | Y | 95.6 | Very high | 92.1 | Very high | 3 Ų | 3 | 87.2 Ų | 87.2 | 1% | 0.012 | 44% | 0.442 | C | S | . | . | trans | -87 | -1.1 | -171.2 | -74.2 | -77.1 | 0 | 0 | 0 | 114.8 | K60 I69 I80 L81 P82 N86 R87 L88 I102 D109 Y113 | K60-Y84 HydrophobicContact CD-CE2 4.26Å; K60-Y84 WeakPolarHBondContact CD-OH 3.38Å; K60-Y84 PolarHBondContact NZ-OH 3.46Å; I69-Y84 HydrophobicContact CB-CD2 3.77Å; I69-Y84 HydrophobicContact CB-CE2 4.19Å; I69-Y84 HydrophobicContact CG2-CD2 3.65Å; I69-Y84 HydrophobicContact CG2-CE2 3.64Å; I80-Y84 WeakPolarHBondContact CG2-O 3.43Å; L81-Y84 WeakPolarHBondContact O-CB 3.34Å; L81-Y84 PolarHBondContact O-N 3.33Å; P82-Y84 VanDerWaalsContact C-N 3.33Å; Y84-N86 PolarHBondContact O-N 2.96Å; Y84-R87 PolarHBondContact O-N 3.35Å; Y84-L88 HydrophobicContact CD1-CB 4.16Å; Y84-L88 HydrophobicContact CD1-CD1 3.66Å; Y84-L88 HydrophobicContact CD2-CD1 4.49Å; Y84-L88 HydrophobicContact CE1-CD1 4.39Å; Y84-L88 HydrophobicContact CG-CB 4.3Å; Y84-L88 HydrophobicContact CG-CD1 3.75Å; Y84-L88 PolarHBondContact O-N 2.99Å; Y84-I102 HydrophobicContact CE1-CD1 4.36Å; Y84-I102 HydrophobicContact CE1-CG2 4.29Å; Y84-D109 WeakPolarHBondContact CE1-OD1 3.39Å; Y84-D109 PolarHBondContact OH-OD1 2.77Å; Y84-Y113 PolarHBondContact OH-OH 2.99Å | ||
| 85 | V | 95.2 | Very high | 91.3 | Very high | 68 Ų | 68 | 82.4 Ų | 82.4 | 41% | 0.412 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 132.2 | 176.6 | -178.2 | 0 | 0 | 0 | 0 | 109.4 | P82 P83 R87 | P82-V85 HydrophobicContact CG-CG2 4.08Å; P83-V85 PolarHBondContact O-N 3.21Å; V85-R87 PolarHBondContact O-N 3.45Å; V85-R87 VanDerWaalsContact O-N 3.15Å |
| 86 | N | 94.1 | Very high | 90.9 | Very high | 152 Ų | 152 | 79 Ų | 79 | 81% | 0.813 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | -1.8 | -175.4 | -51.2 | -38.7 | 0 | 0 | 0 | 116.7 | Y84 | Y84-N86 PolarHBondContact O-N 2.96Š|
| 87 | R | 96.2 | Very high | 90.8 | Very high | 73 Ų | 73 | 70 Ų | 70 | 28% | 0.275 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -19.2 | 177 | -69.5 | -177.4 | 61 | -143.5 | -5 | 113.6 | Y84 V85 Q103 G104 D109 | Y84-R87 PolarHBondContact O-N 3.35Å; V85-R87 PolarHBondContact O-N 3.45Å; V85-R87 VanDerWaalsContact O-N 3.15Å; R87-Q103 PolarHBondContact NE-O 3.44Å; R87-Q103 PolarHBondContact NH2-O 2.99Å; R87-Q103 WeakPolarHBondContact O-CB 3.23Å; R87-Q103 PolarHBondContact O-N 2.77Å; R87-G104 PolarHBondContact NH2-O 3.42Å; R87-D109 IonicContact CZ-OD2 3.7Å; R87-D109 IonicContact NH1-OD2 3.78Å; R87-D109 IonicContact NH2-OD2 2.76Å; R87-D109 PolarHBondContact NH2-OD2 2.74Å |
| 88 | L | 96 | Very high | 90.9 | Very high | 6 Ų | 6 | 68.8 Ų | 68.8 | 3% | 0.031 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 139.7 | -174.5 | -170.2 | 148.7 | 0 | 0 | 0 | 111.4 | I69 I80 Y84 C90 M100 T101 I102 | I69-L88 HydrophobicContact CD1-CD1 3.81Å; I69-L88 HydrophobicContact CG1-CD1 4.27Å; I80-L88 HydrophobicContact CD1-CD2 3.45Å; I80-L88 VanDerWaalsContact CD1-CD2 3.45Å; I80-L88 HydrophobicContact CG1-CD2 4.29Å; I80-L88 HydrophobicContact CG2-CB 4.07Å; I80-L88 HydrophobicContact CG2-CD2 4.24Å; Y84-L88 HydrophobicContact CD1-CB 4.16Å; Y84-L88 HydrophobicContact CD1-CD1 3.66Å; Y84-L88 HydrophobicContact CD2-CD1 4.49Å; Y84-L88 HydrophobicContact CE1-CD1 4.39Å; Y84-L88 HydrophobicContact CG-CB 4.3Å; Y84-L88 HydrophobicContact CG-CD1 3.75Å; Y84-L88 PolarHBondContact O-N 2.99Å; L88-C90 WeakPolarHBondContact CD2-SG 3.04Å; L88-M100 HydrophobicContact CD1-CG 3.96Å; L88-M100 HydrophobicContact CD1-SD 3.72Å; L88-M100 HydrophobicContact CD2-CG 3.95Å; L88-M100 HydrophobicContact CD2-SD 4.37Å; L88-M100 HydrophobicContact CG-CG 3.88Å; L88-M100 HydrophobicContact CG-SD 4.29Å; L88-T101 CarbonylContact C-O 3.51Å; L88-T101 VanDerWaalsContact CA-O 3.28Å; L88-T101 WeakPolarHBondContact CA-O 3.14Å; L88-I102 HydrophobicContact CD1-CG1 4.18Å |
| 89 | Q | 95.6 | Very high | 90.9 | Very high | 73 Ų | 73 | 67.3 Ų | 67.3 | 34% | 0.341 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 121.8 | 175.8 | -65.2 | -179.2 | -20.1 | 0 | 0 | 110.1 | E78 M100 T101 | E78-Q89 WeakPolarHBondContact OE1-CA 3.23Å; Q89-M100 CarbonylContact O-C 3.49Å; Q89-M100 VanDerWaalsContact O-CA 3.29Å; Q89-M100 WeakPolarHBondContact O-CA 3.33Å; Q89-T101 PolarHBondContact N-O 3.35Å; Q89-T101 PolarHBondContact O-N 2.85Å |
| 90 | C | 92.9 | Very high | 90.9 | Very high | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.014 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 104.7 | 172.4 | -68.9 | 0 | 0 | 0 | 0 | 109.8 | W58 E78 I80 L88 F99 | W58-C90 VanDerWaalsContact CD1-SG 3.53Å; E78-C90 HydrophobicContact CG-CB 4.26Å; E78-C90 WeakPolarHBondContact OE1-CA 3.47Å; E78-C90 PolarHBondContact OE1-N 3.19Å; I80-C90 HydrophobicContact CD1-CB 4.33Å; L88-C90 WeakPolarHBondContact CD2-SG 3.04Å; C90-F99 CarbonylContact C-O 3.48Å; C90-F99 WeakPolarHBondContact CA-O 3.42Å |
| 91 | K | 91.2 | Very high | 90.9 | Very high | 131 Ų | 131 | 60.6 Ų | 60.6 | 57% | 0.57 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 150.5 | 172.8 | -65.2 | -174.6 | -179.8 | 179.5 | 0 | 110.5 | S98 F99 | K91-S98 CarbonylContact O-C 3.58Å; K91-S98 WeakPolarHBondContact O-CA 3.5Å; K91-S98 PolarHBondContact O-OG 2.92Å; K91-F99 PolarHBondContact N-O 3.48Å; K91-F99 PolarHBondContact O-N 3.21Å |
| 92 | T | 87.9 | Confident | 91 | Very high | 29 Ų | 29 | 57.9 Ų | 57.9 | 18% | 0.178 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 139.3 | 178.9 | -56.8 | 0 | 0 | 0 | 0 | 109 | I56 Y72 A97 | I56-T92 HydrophobicContact CD1-CG2 3.66Å; Y72-T92 HydrophobicContact CD1-CG2 4.18Å; Y72-T92 WeakPolarHBondContact CD1-OG1 3.25Å; Y72-T92 HydrophobicContact CE1-CG2 4.02Å; Y72-T92 WeakPolarHBondContact CE1-OG1 3.12Å; Y72-T92 VanDerWaalsContact CG-OG1 3.31Å; T92-A97 CarbonylContact C-O 3.55Å; T92-A97 VanDerWaalsContact CA-O 3.28Å; T92-A97 WeakPolarHBondContact CA-O 3.46Å; T92-A97 VanDerWaalsContact CG2-O 3.32Å; T92-A97 WeakPolarHBondContact CG2-O 3.22Å |
| 93 | L | 82.9 | Confident | 91.2 | Very high | 101 Ų | 101 | 56.2 Ų | 56.2 | 53% | 0.529 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 136.8 | 166.9 | -63.8 | 177 | 0 | 0 | 0 | 107.8 | A97 F99 | L93-A97 HydrophobicContact CB-CB 4.32Å; L93-A97 PolarHBondContact N-O 3.45Å; L93-A97 PolarHBondContact O-N 2.94Å; L93-F99 HydrophobicContact CD1-CE2 3.64Å; L93-F99 HydrophobicContact CD1-CZ 4.13Å; L93-F99 HydrophobicContact CG-CE2 3.95Å |
| 94 | E | 74.7 | Confident | 91.4 | Very high | 163 Ų | 163 | 52.5 Ų | 52.5 | 76% | 0.762 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -3.2 | 117.8 | -175.5 | -95 | 74.3 | -168.8 | 0 | 0 | 115.7 | S96 | E94-S96 PolarHBondContact O-N 2.89Å; E94-S96 PolarHBondContact O-OG 3.27Å |
| 95 | P | 69.4 | Low | 91.5 | Very high | 75 Ų | 75 | 52.4 Ų | 52.4 | 49% | 0.487 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | -60.7 | 20.5 | -112.9 | 29.2 | -37.7 | 0 | 0 | 0 | 117 | V53 | V53-P95 HydrophobicContact CB-CB 4.42Å; V53-P95 WeakPolarHBondContact CB-O 3.41Å; V53-P95 WeakPolarHBondContact CG2-O 3.45Å | |
| 96 | S | 81.7 | Confident | 91.5 | Very high | 40 Ų | 40 | 51.8 Ų | 51.8 | 28% | 0.28 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -12.2 | -173.2 | 58.8 | 0 | 0 | 0 | 0 | 112.8 | N46 F47 E94 F117 | N46-S96 CarbonylContact C-O 3.53Å; N46-S96 VanDerWaalsContact CA-O 3.26Å; N46-S96 WeakPolarHBondContact CA-O 3.32Å; F47-S96 PolarHBondContact N-O 3.16Å; F47-S96 WeakPolarHBondContact O-CB 3.16Å; E94-S96 PolarHBondContact O-N 2.89Å; E94-S96 PolarHBondContact O-OG 3.27Å; S96-F117 WeakPolarHBondContact O-CE1 3.42Å |
| 97 | A | 90.5 | Very high | 91.6 | Very high | 9 Ų | 9 | 46.5 Ų | 46.5 | 7% | 0.074 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 131.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F44 C45 N46 T92 L93 F99 | F44-A97 HydrophobicContact CE2-CB 3.99Å; C45-A97 CarbonylContact O-C 3.51Å; C45-A97 WeakPolarHBondContact O-CA 3.46Å; N46-A97 HydrophobicContact CB-CB 4.33Å; T92-A97 CarbonylContact C-O 3.55Å; T92-A97 VanDerWaalsContact CA-O 3.28Å; T92-A97 WeakPolarHBondContact CA-O 3.46Å; T92-A97 VanDerWaalsContact CG2-O 3.32Å; T92-A97 WeakPolarHBondContact CG2-O 3.22Å; L93-A97 HydrophobicContact CB-CB 4.32Å; L93-A97 PolarHBondContact N-O 3.45Å; L93-A97 PolarHBondContact O-N 2.94Å; A97-F99 HydrophobicContact CB-CE2 4.49Å |
| 98 | S | 93.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 143.1 | 177.9 | -168.9 | 0 | 0 | 0 | 0 | 111.9 | F44 C45 W58 K91 | F44-S98 WeakPolarHBondContact CA-O 3.39Å; F44-S98 WeakPolarHBondContact CD2-O 3.27Å; C45-S98 PolarHBondContact N-O 3.45Å; C45-S98 PolarHBondContact O-N 3.49Å; W58-S98 PolarHBondContact NE1-OG 3.43Å; K91-S98 CarbonylContact O-C 3.58Å; K91-S98 WeakPolarHBondContact O-CA 3.5Å; K91-S98 PolarHBondContact O-OG 2.92Å |
| 99 | F | 95.2 | Very high | 91.5 | Very high | 60 Ų | 60 | 49.5 Ų | 49.5 | 26% | 0.263 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 130.1 | 177.8 | -57.7 | -96.8 | 0 | 0 | 0 | 108.6 | T42 L43 F44 C90 K91 L93 A97 | T42-F99 HydrophobicContact CG2-CB 4.07Å; T42-F99 HydrophobicContact CG2-CD1 4.13Å; L43-F99 CarbonylContact O-C 3.51Å; L43-F99 VanDerWaalsContact O-CA 3.32Å; L43-F99 WeakPolarHBondContact O-CA 3.32Å; F44-F99 HydrophobicContact CB-CD1 4.08Å; F44-F99 HydrophobicContact CB-CE1 4.21Å; F44-F99 AromaticContact CD2-CD1 3.52Å; F44-F99 HydrophobicContact CD2-CD1 3.52Å; F44-F99 HydrophobicContact CD2-CD2 4.28Å; F44-F99 AromaticContact CD2-CE1 3.12Å; F44-F99 HydrophobicContact CD2-CE1 3.12Å; F44-F99 AromaticContact CD2-CE2 3.93Å; F44-F99 HydrophobicContact CD2-CE2 3.93Å; F44-F99 HydrophobicContact CD2-CG 4.09Å; F44-F99 AromaticContact CD2-CZ 3.35Å; F44-F99 HydrophobicContact CD2-CZ 3.35Å; F44-F99 HydrophobicContact CE2-CD1 4.35Å; F44-F99 AromaticContact CE2-CE1 3.6Å; F44-F99 HydrophobicContact CE2-CE1 3.6Å; F44-F99 AromaticContact CE2-CE2 3.88Å; F44-F99 HydrophobicContact CE2-CE2 3.88Å; F44-F99 AromaticContact CE2-CZ 3.32Å; F44-F99 HydrophobicContact CE2-CZ 3.32Å; F44-F99 HydrophobicContact CG-CD1 4.22Å; F44-F99 AromaticContact CG-CE1 3.93Å; F44-F99 HydrophobicContact CG-CE1 3.93Å; F44-F99 HydrophobicContact CG-CZ 4.49Å; F44-F99 HydrophobicContact CZ-CZ 4.46Å; C90-F99 CarbonylContact C-O 3.48Å; C90-F99 WeakPolarHBondContact CA-O 3.42Å; K91-F99 PolarHBondContact N-O 3.48Å; K91-F99 PolarHBondContact O-N 3.21Å; L93-F99 HydrophobicContact CD1-CE2 3.64Å; L93-F99 HydrophobicContact CD1-CZ 4.13Å; L93-F99 HydrophobicContact CG-CE2 3.95Å; A97-F99 HydrophobicContact CB-CE2 4.49Å |
| 100 | M | 96 | Very high | 91.5 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 114.8 | 172.5 | -179.7 | -175.1 | 69.2 | 0 | 0 | 109 | T42 L43 W58 I69 L88 Q89 I102 Y113 | T42-M100 CarbonylContact C-O 3.51Å; T42-M100 WeakPolarHBondContact CA-O 3.41Å; L43-M100 HydrophobicContact CB-CE 4.26Å; L43-M100 HydrophobicContact CD1-CE 3.61Å; L43-M100 HydrophobicContact CG-CE 4.11Å; L43-M100 PolarHBondContact N-O 3.49Å; L43-M100 PolarHBondContact O-N 3.39Å; W58-M100 HydrophobicContact CB-SD 3.62Å; W58-M100 HydrophobicContact CD2-CB 3.6Å; W58-M100 HydrophobicContact CD2-CE 4.24Å; W58-M100 HydrophobicContact CD2-CG 4.18Å; W58-M100 HydrophobicContact CD2-SD 3.67Å; W58-M100 HydrophobicContact CE3-CB 3.96Å; W58-M100 HydrophobicContact CE3-CE 3.65Å; W58-M100 HydrophobicContact CE3-CG 4.48Å; W58-M100 HydrophobicContact CE3-SD 3.69Å; W58-M100 HydrophobicContact CG-CB 4.06Å; W58-M100 HydrophobicContact CG-CG 4.26Å; W58-M100 HydrophobicContact CG-SD 3.66Å; W58-M100 HydrophobicContact CH2-CB 4.09Å; W58-M100 HydrophobicContact CZ2-CB 3.77Å; W58-M100 HydrophobicContact CZ3-CB 4.18Å; W58-M100 HydrophobicContact CZ3-CE 4.02Å; I69-M100 HydrophobicContact CD1-CE 4.32Å; I69-M100 HydrophobicContact CD1-SD 3.62Å; I69-M100 HydrophobicContact CG1-SD 4.38Å; L88-M100 HydrophobicContact CD1-CG 3.96Å; L88-M100 HydrophobicContact CD1-SD 3.72Å; L88-M100 HydrophobicContact CD2-CG 3.95Å; L88-M100 HydrophobicContact CD2-SD 4.37Å; L88-M100 HydrophobicContact CG-CG 3.88Å; L88-M100 HydrophobicContact CG-SD 4.29Å; Q89-M100 CarbonylContact O-C 3.49Å; Q89-M100 VanDerWaalsContact O-CA 3.29Å; Q89-M100 WeakPolarHBondContact O-CA 3.33Å; M100-I102 HydrophobicContact CE-CD1 4.17Å; M100-I102 HydrophobicContact CE-CG1 4.42Å; M100-Y113 HydrophobicContact CE-CD1 3.72Å; M100-Y113 HydrophobicContact CE-CE1 4.31Å; M100-Y113 HydrophobicContact CE-CG 4Å |
| 101 | T | 97.4 | Very high | 91.7 | Very high | 24 Ų | 24 | 50.3 Ų | 50.3 | 15% | 0.147 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123.8 | 177.1 | -52.7 | 0 | 0 | 0 | 0 | 109.7 | V41 T42 L88 Q89 | V41-T101 CarbonylContact O-C 3.58Å; V41-T101 VanDerWaalsContact O-CA 3.24Å; V41-T101 WeakPolarHBondContact O-CA 3.45Å; T42-T101 PolarHBondContact OG1-OG1 3.49Å; L88-T101 CarbonylContact C-O 3.51Å; L88-T101 VanDerWaalsContact CA-O 3.28Å; L88-T101 WeakPolarHBondContact CA-O 3.14Å; Q89-T101 PolarHBondContact N-O 3.35Å; Q89-T101 PolarHBondContact O-N 2.85Å |
| 102 | I | 97.9 | Very high | 92 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 124 | 170.8 | -52.7 | 175.5 | 0 | 0 | 0 | 107.6 | N40 V41 Y84 L88 M100 V105 Y113 | N40-I102 VanDerWaalsContact CA-O 3.32Å; N40-I102 WeakPolarHBondContact CA-O 3.38Å; V41-I102 HydrophobicContact CG1-CB 4.03Å; V41-I102 PolarHBondContact N-O 3.4Å; V41-I102 PolarHBondContact O-N 3.4Å; Y84-I102 HydrophobicContact CE1-CD1 4.36Å; Y84-I102 HydrophobicContact CE1-CG2 4.29Å; L88-I102 HydrophobicContact CD1-CG1 4.18Å; M100-I102 HydrophobicContact CE-CD1 4.17Å; M100-I102 HydrophobicContact CE-CG1 4.42Å; I102-V105 HydrophobicContact CB-CG1 4.23Å; I102-V105 HydrophobicContact CG2-CG1 4.1Å; I102-Y113 HydrophobicContact CD1-CE1 4Å; I102-Y113 HydrophobicContact CD1-CE2 4.47Å |
| 103 | Q | 97.8 | Very high | 92.4 | Very high | 67 Ų | 67 | 44.2 Ų | 44.2 | 31% | 0.313 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -92.1 | 136.5 | -179.1 | -61.8 | -177.7 | -4.9 | 0 | 0 | 111.5 | N40 R87 | N40-Q103 VanDerWaalsContact OD1-CA 3.25Å; N40-Q103 WeakPolarHBondContact OD1-CA 3.32Å; R87-Q103 PolarHBondContact NE-O 3.44Å; R87-Q103 PolarHBondContact NH2-O 2.99Å; R87-Q103 WeakPolarHBondContact O-CB 3.23Å; R87-Q103 PolarHBondContact O-N 2.77Å |
| 104 | G | 97.1 | Very high | 93 | Very high | 27 Ų | 27 | 42.9 Ų | 42.9 | 28% | 0.278 | 23% | 0.229 | S | C | . | . | S | Bend | trans | 52.3 | 65.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R39 N40 R87 | R39-G104 PolarHBondContact O-N 3.49Å; N40-G104 PolarHBondContact OD1-N 3Å; R87-G104 PolarHBondContact NH2-O 3.42Å |
| 105 | V | 97.8 | Very high | 94 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -60.3 | 142 | -175.7 | -61.7 | 0 | 0 | 0 | 0 | 111.8 | A35 V36 G38 R39 V41 I102 I133 | A35-V105 HydrophobicContact CB-CG2 3.99Å; V36-V105 VanDerWaalsContact O-CG2 3.25Å; V36-V105 WeakPolarHBondContact O-CG2 3.31Å; G38-V105 PolarHBondContact N-O 3.49Å; R39-V105 WeakPolarHBondContact O-CG2 3.17Å; R39-V105 PolarHBondContact O-N 2.85Å; V41-V105 HydrophobicContact CB-CG1 4.13Å; V41-V105 HydrophobicContact CG1-CG1 3.48Å; V41-V105 VanDerWaalsContact CG1-CG1 3.48Å; I102-V105 HydrophobicContact CB-CG1 4.23Å; I102-V105 HydrophobicContact CG2-CG1 4.1Å; V105-I133 HydrophobicContact CB-CD1 3.96Å; V105-I133 HydrophobicContact CG2-CD1 3.81Å | ||
| 106 | T | 96.7 | Very high | 95.2 | Very high | 55 Ų | 55 | 32.6 Ų | 32.6 | 34% | 0.337 | 18% | 0.175 | S | C | . | . | trans | -117.9 | 171.8 | 174.1 | 70.8 | 0 | 0 | 0 | 0 | 110.5 | E108 D109 | T106-E108 PolarHBondContact O-N 3.49Å; T106-E108 PolarHBondContact OG1-N 3.46Å; T106-D109 PolarHBondContact N-OD2 2.86Å; T106-D109 WeakPolarHBondContact O-CB 3.31Å; T106-D109 PolarHBondContact O-N 2.8Å; T106-D109 PolarHBondContact OG1-OD2 2.79Å | ||
| 107 | F | 96.2 | Very high | 95.8 | Very high | 41 Ų | 41 | 30.7 Ų | 30.7 | 18% | 0.18 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -61.5 | -25.5 | 174.6 | -64.9 | -65.3 | 0 | 0 | 0 | 113.2 | L37 D109 E110 I133 T135 K162 N188 T190 | L37-F107 HydrophobicContact CD1-CD2 4.06Å; L37-F107 HydrophobicContact CD1-CE1 4.45Å; L37-F107 HydrophobicContact CD1-CE2 3.94Å; L37-F107 HydrophobicContact CD1-CG 4.4Å; L37-F107 HydrophobicContact CD1-CZ 4.15Å; L37-F107 HydrophobicContact CD2-CE2 3.81Å; L37-F107 HydrophobicContact CD2-CZ 3.93Å; F107-D109 PolarHBondContact O-N 3.31Å; F107-E110 WeakPolarHBondContact O-CB 3.18Å; F107-E110 PolarHBondContact O-N 3.07Å; F107-E110 VanDerWaalsContact O-N 3.13Å; F107-I133 HydrophobicContact CD1-CB 4.15Å; F107-I133 HydrophobicContact CD1-CG2 4.09Å; F107-I133 HydrophobicContact CE1-CB 4.43Å; F107-I133 HydrophobicContact CE1-CG2 4.08Å; F107-T135 HydrophobicContact CE1-CG2 4.42Å; F107-T135 HydrophobicContact CZ-CG2 3.88Å; F107-K162 HydrophobicContact CD1-CD 4.49Å; F107-K162 HydrophobicContact CE1-CD 3.94Å; F107-N188 HydrophobicContact CB-CB 4.16Å; F107-N188 HydrophobicContact CD1-CB 4Å; F107-N188 HydrophobicContact CD2-CB 3.45Å; F107-N188 VanDerWaalsContact CD2-CB 3.45Å; F107-N188 VanDerWaalsContact CD2-CG 3.45Å; F107-N188 VanDerWaalsContact CD2-ND2 3.26Å; F107-N188 WeakPolarHBondContact CD2-ND2 3.39Å; F107-N188 HydrophobicContact CE1-CB 4.22Å; F107-N188 HydrophobicContact CE2-CB 3.68Å; F107-N188 HydrophobicContact CG-CB 3.6Å; F107-N188 HydrophobicContact CZ-CB 4.05Å; F107-T190 HydrophobicContact CE1-CG2 4.42Å; F107-T190 HydrophobicContact CZ-CG2 3.86Å |
| 108 | E | 94.6 | Very high | 95.9 | Very high | 138 Ų | 138 | 31.9 Ų | 31.9 | 65% | 0.645 | 17% | 0.167 | S | C | * | . | G | 310 helix | trans | -66.6 | -22.3 | 173.6 | -64.4 | -58.7 | 144.1 | 0 | 0 | 112.6 | K60 T106 E110 | K60-E108 WeakPolarHBondContact CE-O 3.38Å; K60-E108 PolarHBondContact NZ-O 3.41Å; T106-E108 PolarHBondContact O-N 3.49Å; T106-E108 PolarHBondContact OG1-N 3.46Å; E108-E110 VanDerWaalsContact C-N 3.29Å |
| 109 | D | 95.8 | Very high | 95.8 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -82.4 | -6.8 | 176.5 | -61.6 | -47.2 | 0 | 0 | 0 | 112.6 | Y84 R87 T106 F107 A111 Y113 | Y84-D109 WeakPolarHBondContact CE1-OD1 3.39Å; Y84-D109 PolarHBondContact OH-OD1 2.77Å; R87-D109 IonicContact CZ-OD2 3.7Å; R87-D109 IonicContact NH1-OD2 3.78Å; R87-D109 IonicContact NH2-OD2 2.76Å; R87-D109 PolarHBondContact NH2-OD2 2.74Å; T106-D109 PolarHBondContact N-OD2 2.86Å; T106-D109 WeakPolarHBondContact O-CB 3.31Å; T106-D109 PolarHBondContact O-N 2.8Å; T106-D109 PolarHBondContact OG1-OD2 2.79Å; F107-D109 PolarHBondContact O-N 3.31Å; D109-A111 PolarHBondContact O-N 2.71Å; D109-Y113 WeakPolarHBondContact CA-OH 3.41Å; D109-Y113 VanDerWaalsContact O-CE2 3.31Å; D109-Y113 WeakPolarHBondContact O-CE2 3.38Å; D109-Y113 PolarHBondContact O-OH 3.38Å |
| 110 | E | 95.7 | Very high | 95.5 | Very high | 76 Ų | 76 | 37.6 Ų | 37.6 | 36% | 0.355 | 19% | 0.192 | S | C | . | . | trans | -67.3 | 102.3 | 173.3 | -173.2 | 154 | 129.7 | 0 | 0 | 110.5 | F107 E108 I133 K162 | F107-E110 WeakPolarHBondContact O-CB 3.18Å; F107-E110 PolarHBondContact O-N 3.07Å; F107-E110 VanDerWaalsContact O-N 3.13Å; E108-E110 VanDerWaalsContact C-N 3.29Å; E110-I133 HydrophobicContact CB-CG1 4Å; E110-I133 WeakPolarHBondContact OE2-CB 3.3Å; E110-I133 PolarHBondContact OE2-N 2.72Å; E110-K162 IonicContact OE1-NZ 2.7Å; E110-K162 PolarHBondContact OE1-NZ 3.06Å; E110-K162 IonicContact OE2-NZ 3.87Å; E110-K162 PolarHBondContact OE2-NZ 2.97Å | ||
| 111 | A | 96.1 | Very high | 95.1 | Very high | 16 Ų | 16 | 42.6 Ų | 42.6 | 13% | 0.132 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -164.6 | 172.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | K60 D109 Y113 L131 | K60-A111 HydrophobicContact CD-CB 4.4Å; K60-A111 HydrophobicContact CG-CB 3.87Å; D109-A111 PolarHBondContact O-N 2.71Å; A111-Y113 HydrophobicContact CB-CE2 4.08Å; A111-Y113 WeakPolarHBondContact O-CD2 3.45Å; A111-L131 PolarHBondContact O-N 3.22Å |
| 112 | C | 96.9 | Very high | 94.6 | Very high | 32 Ų | 32 | 49.4 Ų | 49.4 | 22% | 0.216 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 135 | 164 | -57.3 | 0 | 0 | 0 | 0 | 110.5 | I61 Q128 C130 | I61-C112 HydrophobicContact CB-CB 4.33Å; I61-C112 VanDerWaalsContact CB-O 3.29Å; I61-C112 WeakPolarHBondContact CB-O 3.33Å; I61-C112 HydrophobicContact CD1-CB 4.16Å; I61-C112 WeakPolarHBondContact CG1-O 3.47Å; I61-C112 PolarHBondContact N-O 2.69Å; C112-Q128 HydrophobicContact CB-CG 4.09Å; C112-C130 HydrophobicContact CB-CB 4.14Å; C112-C130 WeakPolarHBondContact CB-SG 3.27Å; C112-C130 WeakPolarHBondContact SG-CB 3.47Å; C112-C130 CovalentContact SG-SG 2.06Å; C112-C130 PolarHBondContact SG-SG 2.97Å |
| 113 | Y | 97 | Very high | 94.3 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 139.6 | 179.2 | -66 | -91.2 | 0 | 0 | 0 | 109.8 | L43 Q59 K60 I69 Y84 M100 I102 D109 A111 Q128 T129 L131 | L43-Y113 HydrophobicContact CD1-CD2 3.76Å; L43-Y113 HydrophobicContact CD1-CG 3.79Å; Q59-Y113 CarbonylContact O-C 3.5Å; Q59-Y113 WeakPolarHBondContact O-CA 3.13Å; K60-Y113 HydrophobicContact CB-CD1 4.15Å; K60-Y113 HydrophobicContact CB-CE1 3.91Å; K60-Y113 HydrophobicContact CD-CE1 4.31Å; K60-Y113 HydrophobicContact CG-CD1 4.37Å; K60-Y113 HydrophobicContact CG-CE1 3.84Å; I69-Y113 HydrophobicContact CD1-CD1 3.67Å; I69-Y113 HydrophobicContact CD1-CE1 3.7Å; Y84-Y113 PolarHBondContact OH-OH 2.99Å; M100-Y113 HydrophobicContact CE-CD1 3.72Å; M100-Y113 HydrophobicContact CE-CE1 4.31Å; M100-Y113 HydrophobicContact CE-CG 4Å; I102-Y113 HydrophobicContact CD1-CE1 4Å; I102-Y113 HydrophobicContact CD1-CE2 4.47Å; D109-Y113 WeakPolarHBondContact CA-OH 3.41Å; D109-Y113 VanDerWaalsContact O-CE2 3.31Å; D109-Y113 WeakPolarHBondContact O-CE2 3.38Å; D109-Y113 PolarHBondContact O-OH 3.38Å; A111-Y113 HydrophobicContact CB-CE2 4.08Å; A111-Y113 WeakPolarHBondContact O-CD2 3.45Å; Y113-Q128 CarbonylContact O-C 3.48Å; Y113-Q128 WeakPolarHBondContact O-CA 3.42Å; Y113-T129 PolarHBondContact N-O 3.2Å; Y113-T129 PolarHBondContact O-N 3.26Å; Y113-L131 HydrophobicContact CD2-CB 4.1Å; Y113-L131 HydrophobicContact CE2-CB 3.9Å; Y113-L131 HydrophobicContact CE2-CD2 3.94Å |
| 114 | K | 96.2 | Very high | 94 | Very high | 73 Ų | 73 | 51 Ų | 51 | 32% | 0.317 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 127.7 | 179.1 | -161.8 | 175.9 | -172.4 | 175.5 | 0 | 109.9 | W58 Q59 I61 L116 G127 | W58-K114 CarbonylContact C-O 3.52Å; W58-K114 WeakPolarHBondContact CA-O 3.46Å; Q59-K114 HydrophobicContact CB-CB 4.28Å; Q59-K114 PolarHBondContact N-O 3.49Å; Q59-K114 PolarHBondContact O-N 3.49Å; I61-K114 HydrophobicContact CD1-CB 4.31Å; K114-L116 HydrophobicContact CD-CD2 3.78Å; K114-L116 HydrophobicContact CD-CG 4.47Å; K114-L116 HydrophobicContact CG-CD2 3.94Å; K114-L116 HydrophobicContact CG-CG 4.39Å; K114-G127 WeakPolarHBondContact CA-O 3.47Å; K114-G127 WeakPolarHBondContact CG-O 3.4Å |
| 115 | C | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 134.6 | 166.9 | 57.9 | 0 | 0 | 0 | 0 | 108.4 | C45 T57 W58 G126 G127 | C45-C115 HydrophobicContact CB-CB 3.62Å; C45-C115 WeakPolarHBondContact CB-SG 3.37Å; C45-C115 WeakPolarHBondContact SG-CB 3.31Å; C45-C115 CovalentContact SG-SG 2.01Å; C45-C115 PolarHBondContact SG-SG 2.93Å; T57-C115 CarbonylContact O-C 3.53Å; W58-C115 HydrophobicContact CD2-CB 4.13Å; W58-C115 HydrophobicContact CE3-CB 3.9Å; W58-C115 HydrophobicContact CH2-CB 3.73Å; W58-C115 HydrophobicContact CZ2-CB 3.94Å; W58-C115 HydrophobicContact CZ3-CB 3.7Å; C115-G126 CarbonylContact O-C 3.55Å; C115-G126 WeakPolarHBondContact O-CA 3.34Å; C115-G127 PolarHBondContact N-O 3.36Å; C115-G127 PolarHBondContact O-N 2.75Å; C115-G127 PolarHBondContact SG-O 2.67Å; C115-G127 VanDerWaalsContact SG-O 3.36Å |
| 116 | L | 95 | Very high | 93.4 | Very high | 21 Ų | 21 | 53.9 Ų | 53.9 | 11% | 0.11 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 118.2 | 180 | -62.5 | 178.9 | 0 | 0 | 0 | 109.7 | I56 T57 Q59 K114 | I56-L116 CarbonylContact C-O 3.59Å; I56-L116 VanDerWaalsContact CA-O 3.28Å; I56-L116 WeakPolarHBondContact CA-O 3.46Å; T57-L116 PolarHBondContact N-O 3.17Å; T57-L116 PolarHBondContact O-N 2.94Å; Q59-L116 VanDerWaalsContact CD-CD1 3.48Å; Q59-L116 HydrophobicContact CG-CD1 4.21Å; K114-L116 HydrophobicContact CD-CD2 3.78Å; K114-L116 HydrophobicContact CD-CG 4.47Å; K114-L116 HydrophobicContact CG-CD2 3.94Å; K114-L116 HydrophobicContact CG-CG 4.39Å |
| 117 | F | 94 | Very high | 93.2 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 109.9 | 169.5 | -63.7 | -95.2 | 0 | 0 | 0 | 108.6 | I27 C45 F47 V53 I56 S96 S124 H125 | I27-F117 HydrophobicContact CD1-CD2 4.11Å; I27-F117 HydrophobicContact CG1-CD2 4.45Å; I27-F117 HydrophobicContact CG2-CE2 4.28Å; C45-F117 HydrophobicContact CB-CE2 3.92Å; C45-F117 HydrophobicContact CB-CZ 4.1Å; F47-F117 HydrophobicContact CB-CD1 3.73Å; F47-F117 HydrophobicContact CB-CD2 3.85Å; F47-F117 HydrophobicContact CB-CE1 3.72Å; F47-F117 HydrophobicContact CB-CE2 3.84Å; F47-F117 HydrophobicContact CB-CG 3.8Å; F47-F117 HydrophobicContact CB-CZ 3.78Å; F47-F117 HydrophobicContact CD1-CB 4.39Å; F47-F117 HydrophobicContact CD1-CD1 4.49Å; F47-F117 HydrophobicContact CD1-CG 4.41Å; F47-F117 HydrophobicContact CG-CB 4.4Å; F47-F117 HydrophobicContact CG-CD1 4.32Å; F47-F117 HydrophobicContact CG-CD2 4.29Å; F47-F117 HydrophobicContact CG-CG 4.08Å; V53-F117 HydrophobicContact CG1-CB 4.29Å; V53-F117 HydrophobicContact CG1-CD1 3.91Å; V53-F117 HydrophobicContact CG2-CB 4.37Å; V53-F117 HydrophobicContact CG2-CD1 4Å; I56-F117 HydrophobicContact CD1-CD1 4.17Å; I56-F117 HydrophobicContact CD1-CE1 3.86Å; I56-F117 HydrophobicContact CG1-CD1 3.86Å; I56-F117 HydrophobicContact CG1-CE1 4.02Å; S96-F117 WeakPolarHBondContact O-CE1 3.42Å; F117-S124 WeakPolarHBondContact O-CA 3.14Å; F117-H125 PolarHBondContact N-O 2.92Å; F117-H125 PolarHBondContact O-N 2.81Å |
| 118 | N | 92.8 | Very high | 93.1 | Very high | 34 Ų | 34 | 53.6 Ų | 53.6 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 120.4 | -177.8 | -53.5 | -72.3 | 0 | 0 | 0 | 110.1 | L54 Q55 T57 S124 | L54-N118 PolarHBondContact N-O 3.44Å; Q55-N118 HydrophobicContact CB-CB 4.41Å; Q55-N118 WeakPolarHBondContact O-CB 3.48Å; Q55-N118 PolarHBondContact O-N 3.36Å; Q55-N118 PolarHBondContact O-ND2 3.37Å; T57-N118 PolarHBondContact OG1-ND2 3.49Å; T57-N118 VanDerWaalsContact OG1-ND2 3.08Å; N118-S124 WeakPolarHBondContact OD1-CB 3.34Å; N118-S124 PolarHBondContact OD1-OG 3.4Å |
| 119 | I | 91.4 | Very high | 93.2 | Very high | 9 Ų | 9 | 47.1 Ų | 47.1 | 5% | 0.046 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 122.8 | -174.9 | -64 | 147.2 | 0 | 0 | 0 | 108.3 | F47 A51 V53 P121 R122 G123 | F47-I119 HydrophobicContact CD1-CD1 4.19Å; F47-I119 HydrophobicContact CE1-CD1 3.26Å; F47-I119 HydrophobicContact CZ-CD1 3.62Å; A51-I119 HydrophobicContact CB-CD1 3.91Å; A51-I119 HydrophobicContact CB-CG1 4.27Å; A51-I119 HydrophobicContact CB-CG2 4.07Å; V53-I119 HydrophobicContact CG2-CD1 4.36Å; V53-I119 HydrophobicContact CG2-CG1 4.18Å; I119-P121 CarbonylContact O-C 3.58Å; I119-R122 HydrophobicContact CB-CB 4.39Å; I119-R122 HydrophobicContact CG2-CB 4.01Å; I119-R122 HydrophobicContact CG2-CG 4.29Å; I119-R122 CarbonylContact O-C 3.51Å; I119-R122 PolarHBondContact O-N 2.93Å; I119-G123 PolarHBondContact N-O 2.85Å; I119-G123 PolarHBondContact O-N 3.26Å |
| 120 | F | 87.4 | Confident | 93.3 | Very high | 171 Ų | 171 | 48 Ų | 48 | 75% | 0.75 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 137.7 | 174 | -173.8 | -97.2 | 0 | 0 | 0 | 110.8 | L54 | L54-F120 HydrophobicContact CD1-CB 3.53Š|
| 121 | P | 88.7 | Confident | 93.4 | Very high | 106 Ų | 106 | 44.6 Ų | 44.6 | 69% | 0.688 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -89.9 | 10 | -7.3 | 36.7 | -35.9 | 0 | 0 | 0 | 113.6 | I119 G123 | I119-P121 CarbonylContact O-C 3.58Å; P121-G123 PolarHBondContact O-N 2.94Å |
| 122 | R | 86.4 | Confident | 93.5 | Very high | 166 Ų | 166 | 46.3 Ų | 46.3 | 63% | 0.626 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -7.8 | -171.2 | -61.9 | -175.8 | 179.7 | 171.3 | 0.8 | 115 | I119 | I119-R122 HydrophobicContact CB-CB 4.39Å; I119-R122 HydrophobicContact CG2-CB 4.01Å; I119-R122 HydrophobicContact CG2-CG 4.29Å; I119-R122 CarbonylContact O-C 3.51Å; I119-R122 PolarHBondContact O-N 2.93Å |
| 123 | G | 90.8 | Very high | 93.5 | Very high | 36 Ų | 36 | 44.8 Ų | 44.8 | 37% | 0.371 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 83.4 | -153.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I119 P121 | I119-G123 PolarHBondContact N-O 2.85Å; I119-G123 PolarHBondContact O-N 3.26Å; P121-G123 PolarHBondContact O-N 2.94Å |
| 124 | S | 91.4 | Very high | 93.6 | Very high | 65 Ų | 65 | 45.7 Ų | 45.7 | 46% | 0.455 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 131 | -174.7 | -50.5 | 0 | 0 | 0 | 0 | 111.2 | F117 N118 | F117-S124 WeakPolarHBondContact O-CA 3.14Å; N118-S124 WeakPolarHBondContact OD1-CB 3.34Å; N118-S124 PolarHBondContact OD1-OG 3.4Å |
| 125 | H | 91.6 | Very high | 93.6 | Very high | 53 Ų | 53 | 43.7 Ų | 43.7 | 25% | 0.245 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 134.1 | 172.7 | -61.8 | -65.3 | 0 | 0 | 0 | 109.4 | R26 I27 F47 F117 | R26-H125 PolarHBondContact NH1-NE2 3.45Å; I27-H125 HydrophobicContact CD1-CB 3.97Å; I27-H125 WeakPolarHBondContact CD1-O 3.43Å; F47-H125 HydrophobicContact CE2-CB 3.77Å; F47-H125 HydrophobicContact CZ-CB 4.2Å; F47-H125 AromaticContact CZ-CD2 3.73Å; F117-H125 PolarHBondContact N-O 2.92Å; F117-H125 PolarHBondContact O-N 2.81Å |
| 126 | G | 90.5 | Very high | 93.8 | Very high | 35 Ų | 35 | 44.4 Ų | 44.4 | 36% | 0.361 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 154 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116 | C115 | C115-G126 CarbonylContact O-C 3.55Å; C115-G126 WeakPolarHBondContact O-CA 3.34Å |
| 127 | G | 93.2 | Very high | 93.9 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 155.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | K114 C115 | K114-G127 WeakPolarHBondContact CA-O 3.47Å; K114-G127 WeakPolarHBondContact CG-O 3.4Å; C115-G127 PolarHBondContact N-O 3.36Å; C115-G127 PolarHBondContact O-N 2.75Å; C115-G127 PolarHBondContact SG-O 2.67Å; C115-G127 VanDerWaalsContact SG-O 3.36Å |
| 128 | Q | 95.2 | Very high | 94 | Very high | 85 Ų | 85 | 52.5 Ų | 52.5 | 40% | 0.397 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 131.3 | 179.6 | -177.8 | 175.8 | -50.5 | 0 | 0 | 110.4 | H29 I61 C112 Y113 | H29-Q128 PolarHBondContact CE1-O 3.3Å; H29-Q128 PolarHBondContact ND1-O 3.34Å; H29-Q128 VanDerWaalsContact ND1-O 3.1Å; I61-Q128 HydrophobicContact CD1-CG 4.05Å; C112-Q128 HydrophobicContact CB-CG 4.09Å; Y113-Q128 CarbonylContact O-C 3.48Å; Y113-Q128 WeakPolarHBondContact O-CA 3.42Å |
| 129 | T | 96.9 | Very high | 94.3 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 125.4 | 176.5 | -55.9 | 0 | 0 | 0 | 0 | 109.2 | K30 N31 E33 L43 Y113 | K30-T129 HydrophobicContact CB-CG2 4.44Å; K30-T129 VanDerWaalsContact O-CB 3.29Å; K30-T129 WeakPolarHBondContact O-CB 3.21Å; K30-T129 WeakPolarHBondContact O-CG2 3.22Å; K30-T129 PolarHBondContact O-OG1 3.08Å; N31-T129 WeakPolarHBondContact O-CA 3.39Å; E33-T129 HydrophobicContact CB-CG2 3.97Å; L43-T129 HydrophobicContact CD2-CG2 4.12Å; Y113-T129 PolarHBondContact N-O 3.2Å; Y113-T129 PolarHBondContact O-N 3.26Å |
| 130 | C | 97.1 | Very high | 94.6 | Very high | 23 Ų | 23 | 54.7 Ų | 54.7 | 16% | 0.155 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 124 | 175.4 | -59.6 | 0 | 0 | 0 | 0 | 110.9 | N31 Y32 E33 C112 | N31-C130 PolarHBondContact O-N 2.68Å; Y32-C130 CarbonylContact C-O 3.54Å; Y32-C130 VanDerWaalsContact CA-O 3.31Å; Y32-C130 WeakPolarHBondContact CA-O 3.08Å; Y32-C130 HydrophobicContact CD1-CB 3.94Å; Y32-C130 HydrophobicContact CE1-CB 4.18Å; E33-C130 PolarHBondContact N-O 3.15Å; C112-C130 HydrophobicContact CB-CB 4.14Å; C112-C130 WeakPolarHBondContact CB-SG 3.27Å; C112-C130 WeakPolarHBondContact SG-CB 3.47Å; C112-C130 CovalentContact SG-SG 2.06Å; C112-C130 PolarHBondContact SG-SG 2.97Å |
| 131 | L | 97.6 | Very high | 95.1 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.016 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 128.8 | -178.7 | 178.1 | 61.9 | 0 | 0 | 0 | 109.7 | E33 A35 V41 A111 Y113 I133 | E33-L131 HydrophobicContact CB-CD1 4.32Å; E33-L131 HydrophobicContact CG-CD1 4.47Å; E33-L131 CarbonylContact O-C 3.52Å; E33-L131 WeakPolarHBondContact O-CA 3.49Å; A35-L131 HydrophobicContact CB-CD1 3.9Å; V41-L131 HydrophobicContact CG1-CD1 4.4Å; V41-L131 HydrophobicContact CG1-CD2 3.98Å; V41-L131 HydrophobicContact CG2-CD1 3.95Å; A111-L131 PolarHBondContact O-N 3.22Å; Y113-L131 HydrophobicContact CD2-CB 4.1Å; Y113-L131 HydrophobicContact CE2-CB 3.9Å; Y113-L131 HydrophobicContact CE2-CD2 3.94Å; L131-I133 HydrophobicContact CD1-CD1 4.34Å; L131-I133 HydrophobicContact CD2-CD1 3.97Å; L131-I133 HydrophobicContact CG-CD1 3.92Å |
| 132 | T | 97 | Very high | 95.4 | Very high | 53 Ų | 53 | 47.3 Ų | 47.3 | 33% | 0.325 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 130.5 | 172.2 | -57.7 | 0 | 0 | 0 | 0 | 110.5 | E33 T34 A35 L134 | E33-T132 PolarHBondContact O-N 2.92Å; T34-T132 CarbonylContact C-O 3.46Å; T34-T132 VanDerWaalsContact CA-O 3.26Å; T34-T132 WeakPolarHBondContact CA-O 3.29Å; A35-T132 PolarHBondContact N-O 2.97Å; T132-L134 HydrophobicContact CG2-CD2 4.22Å |
| 133 | I | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 129.3 | 179.5 | -51.2 | -56.1 | 0 | 0 | 0 | 109.6 | A35 L37 V105 F107 E110 L131 K162 | A35-I133 HydrophobicContact CB-CD1 3.99Å; A35-I133 CarbonylContact O-C 3.5Å; A35-I133 WeakPolarHBondContact O-CA 3.29Å; L37-I133 HydrophobicContact CB-CG2 4.05Å; L37-I133 HydrophobicContact CD1-CG2 4.06Å; V105-I133 HydrophobicContact CB-CD1 3.96Å; V105-I133 HydrophobicContact CG2-CD1 3.81Å; F107-I133 HydrophobicContact CD1-CB 4.15Å; F107-I133 HydrophobicContact CD1-CG2 4.09Å; F107-I133 HydrophobicContact CE1-CB 4.43Å; F107-I133 HydrophobicContact CE1-CG2 4.08Å; E110-I133 HydrophobicContact CB-CG1 4Å; E110-I133 WeakPolarHBondContact OE2-CB 3.3Å; E110-I133 PolarHBondContact OE2-N 2.72Å; L131-I133 HydrophobicContact CD1-CD1 4.34Å; L131-I133 HydrophobicContact CD2-CD1 3.97Å; L131-I133 HydrophobicContact CG-CD1 3.92Å; I133-K162 WeakPolarHBondContact O-CD 3.47Å; I133-K162 PolarHBondContact O-NZ 2.92Å |
| 134 | L | 98.4 | Very high | 95.8 | Very high | 20 Ų | 20 | 44.8 Ų | 44.8 | 11% | 0.105 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 146.6 | 178.8 | -51.6 | -178.8 | 0 | 0 | 0 | 110 | T34 A35 V36 L37 T132 K162 P219 V220 | T34-L134 HydrophobicContact CG2-CD1 4.14Å; T34-L134 HydrophobicContact CG2-CG 4.46Å; A35-L134 PolarHBondContact O-N 3.07Å; V36-L134 WeakPolarHBondContact CA-O 3.31Å; L37-L134 PolarHBondContact N-O 3.17Å; T132-L134 HydrophobicContact CG2-CD2 4.22Å; L134-K162 VanDerWaalsContact CA-O 3.23Å; L134-K162 WeakPolarHBondContact CA-O 3.49Å; L134-K162 WeakPolarHBondContact CB-O 3.35Å; L134-K162 WeakPolarHBondContact CD2-O 3.44Å; L134-P219 HydrophobicContact CD1-CB 4.2Å; L134-V220 HydrophobicContact CB-CG2 3.45Å; L134-V220 VanDerWaalsContact CB-CG2 3.45Å; L134-V220 HydrophobicContact CD1-CG2 4.1Å; L134-V220 HydrophobicContact CG-CG2 4.44Å |
| 135 | T | 97.9 | Very high | 95.6 | Very high | 31 Ų | 31 | 45.7 Ų | 45.7 | 19% | 0.19 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 153.3 | 173.6 | -171 | 0 | 0 | 0 | 0 | 110 | F107 G161 K162 T190 H218 | F107-T135 HydrophobicContact CE1-CG2 4.42Å; F107-T135 HydrophobicContact CZ-CG2 3.88Å; T135-G161 CarbonylContact O-C 3.59Å; T135-G161 WeakPolarHBondContact O-CA 3.45Å; T135-K162 HydrophobicContact CG2-CB 4.11Å; T135-K162 PolarHBondContact N-O 3.5Å; T135-K162 PolarHBondContact O-N 2.86Å; T135-T190 HydrophobicContact CG2-CG2 3.76Å; T135-H218 PolarHBondContact O-CE1 3.01Å; T135-H218 VanDerWaalsContact O-CE1 3.23Å; T135-H218 PolarHBondContact O-NE2 3.29Å |
| 136 | V | 97.9 | Very high | 94.9 | Very high | 14 Ų | 14 | 44.4 Ų | 44.4 | 9% | 0.085 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 133.5 | 171.7 | 69.3 | 0 | 0 | 0 | 0 | 110.2 | V160 P165 M216 H218 V220 R221 | V136-V160 CarbonylContact C-O 3.45Å; V136-V160 VanDerWaalsContact CA-O 3.3Å; V136-V160 WeakPolarHBondContact CA-O 3.29Å; V136-P165 HydrophobicContact CG2-CB 4.42Å; V136-M216 HydrophobicContact CG2-CE 3.66Å; V136-M216 HydrophobicContact CG2-SD 3.69Å; V136-H218 HydrophobicContact CB-CB 4.42Å; V136-H218 HydrophobicContact CG2-CB 4Å; V136-V220 HydrophobicContact CG1-CB 3.99Å; V136-V220 HydrophobicContact CG1-CG1 4.1Å; V136-R221 HydrophobicContact CG1-CB 4.05Å |
| 137 | S | 97.4 | Very high | 94.2 | Very high | 44 Ų | 44 | 49.1 Ų | 49.1 | 31% | 0.308 | 28% | 0.28 | S | S | . | . | trans | -76.4 | 176.2 | 173.4 | 74.4 | 0 | 0 | 0 | 0 | 111.1 | V160 R221 | S137-V160 PolarHBondContact N-O 3.32Å; S137-V160 PolarHBondContact OG-N 3.05Å; S137-V160 PolarHBondContact OG-O 3.45Å; S137-R221 PolarHBondContact O-NH2 2.94Å | ||
| 138 | E | 97 | Very high | 93.1 | Very high | 147 Ų | 147 | 53.3 Ų | 53.3 | 69% | 0.687 | 32% | 0.323 | S | S | * | . | trans | -70.2 | 157.3 | 166.1 | -64.8 | 177.5 | 178.5 | 0 | 0 | 110.8 | V140 | E138-V140 PolarHBondContact O-N 3.32Š| ||
| 139 | L | 98.3 | Very high | 92.2 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | trans | -82.3 | 112.6 | 175.9 | 177.2 | 63.8 | 0 | 0 | 0 | 110.4 | T141 A159 I167 V214 M216 E223 K225 | L139-T141 HydrophobicContact CD2-CG2 4.33Å; L139-T141 HydrophobicContact CG-CG2 4.07Å; L139-A159 HydrophobicContact CD1-CB 4.34Å; L139-I167 HydrophobicContact CD1-CD1 4.25Å; L139-V214 HydrophobicContact CD1-CG1 4.41Å; L139-V214 HydrophobicContact CD2-CB 4.05Å; L139-V214 HydrophobicContact CD2-CG1 3.73Å; L139-M216 HydrophobicContact CB-CB 4.44Å; L139-M216 HydrophobicContact CB-SD 4.5Å; L139-M216 HydrophobicContact CD1-CB 4.45Å; L139-M216 HydrophobicContact CD2-CB 4.21Å; L139-E223 PolarHBondContact N-OE1 2.86Å; L139-E223 VanDerWaalsContact N-OE1 3.15Å; L139-K225 HydrophobicContact CD2-CB 3.98Å; L139-K225 WeakPolarHBondContact O-CD 3.43Å; L139-K225 PolarHBondContact O-NZ 3.03Å | ||
| 140 | V | 97.8 | Very high | 91.1 | Very high | 86 Ų | 86 | 58.3 Ų | 58.3 | 52% | 0.521 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 133 | 174.2 | -175.5 | 0 | 0 | 0 | 0 | 108.8 | E138 C157 S158 | E138-V140 PolarHBondContact O-N 3.32Å; V140-C157 CarbonylContact O-C 3.56Å; V140-C157 VanDerWaalsContact O-CA 3.3Å; V140-C157 WeakPolarHBondContact O-CA 3.47Å; V140-S158 PolarHBondContact N-O 3.45Å; V140-S158 PolarHBondContact O-N 2.95Å |
| 141 | T | 97.7 | Very high | 90.7 | Very high | 28 Ų | 28 | 60.2 Ų | 60.2 | 17% | 0.172 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 130.3 | 179.8 | 56.2 | 0 | 0 | 0 | 0 | 108.8 | L139 L156 V214 K225 V227 | L139-T141 HydrophobicContact CD2-CG2 4.33Å; L139-T141 HydrophobicContact CG-CG2 4.07Å; T141-L156 CarbonylContact C-O 3.56Å; T141-L156 VanDerWaalsContact CA-O 3.27Å; T141-L156 WeakPolarHBondContact CA-O 3.27Å; T141-V214 HydrophobicContact CG2-CB 4.24Å; T141-V214 HydrophobicContact CG2-CG1 4.4Å; T141-V214 HydrophobicContact CG2-CG2 4.18Å; T141-K225 HydrophobicContact CG2-CD 3.86Å; T141-K225 HydrophobicContact CG2-CG 4.49Å; T141-K225 WeakPolarHBondContact OG1-CD 3.39Å; T141-K225 WeakPolarHBondContact OG1-CE 3.26Å; T141-K225 PolarHBondContact OG1-NZ 3.14Å; T141-V227 HydrophobicContact CG2-CG2 4.31Å |
| 142 | E | 96.2 | Very high | 90.4 | Very high | 95 Ų | 95 | 63.1 Ų | 63.1 | 44% | 0.444 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 124 | 178.8 | -168.3 | -178.2 | 160.8 | 0 | 0 | 109.4 | Q144 L155 L156 | E142-Q144 HydrophobicContact CG-CG 4.31Å; E142-Q144 PolarHBondContact OE1-NE2 2.98Å; E142-L155 WeakPolarHBondContact O-CA 3.37Å; E142-L156 HydrophobicContact CB-CB 4.4Å; E142-L156 PolarHBondContact N-O 3.42Å; E142-L156 PolarHBondContact O-N 2.8Å |
| 143 | L | 94 | Very high | 90.2 | Very high | 50 Ų | 50 | 61.2 Ų | 61.2 | 26% | 0.262 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 120.9 | 179.1 | -173.2 | 69.9 | 0 | 0 | 0 | 108.9 | H153 L155 V227 L229 | L143-H153 HydrophobicContact CD1-CB 3.79Å; L143-H153 HydrophobicContact CG-CB 4.34Å; L143-L155 HydrophobicContact CB-CD1 4.36Å; L143-L155 HydrophobicContact CD1-CB 3.89Å; L143-L155 HydrophobicContact CD1-CD1 4.3Å; L143-V227 HydrophobicContact CB-CG1 4.28Å; L143-V227 HydrophobicContact CD2-CG1 4.25Å; L143-L229 HydrophobicContact CD2-CD2 4.41Å |
| 144 | Q | 91.7 | Very high | 90 | Very high | 98 Ų | 98 | 62.7 Ų | 62.7 | 46% | 0.458 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 141.9 | 178.6 | -62 | -178.9 | 12.9 | 0 | 0 | 110.2 | E142 H153 S154 | E142-Q144 HydrophobicContact CG-CG 4.31Å; E142-Q144 PolarHBondContact OE1-NE2 2.98Å; Q144-H153 CarbonylContact O-C 3.56Å; Q144-H153 WeakPolarHBondContact O-CA 3.31Å; Q144-S154 PolarHBondContact N-O 2.81Å; Q144-S154 PolarHBondContact O-N 3.23Å |
| 145 | S | 85.4 | Confident | 89.9 | Confident | 84 Ų | 84 | 61.7 Ų | 61.7 | 59% | 0.587 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 134.9 | 173.6 | -52.6 | 0 | 0 | 0 | 0 | 110.2 | H153 | S145-H153 PolarHBondContact OG-NE2 2.83Å |
| 146 | A | 78.7 | Confident | 89.8 | Confident | 26 Ų | 26 | 63 Ų | 63 | 22% | 0.215 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 136 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | G148 S149 L152 | A146-G148 PolarHBondContact O-N 3.09Å; A146-S149 PolarHBondContact O-N 3.16Å; A146-L152 HydrophobicContact CB-CB 4.04Å; A146-L152 VanDerWaalsContact CB-O 3.23Å; A146-L152 WeakPolarHBondContact CB-O 3.45Å; A146-L152 PolarHBondContact N-O 2.97Å |
| 147 | P | 74.1 | Confident | 89.8 | Confident | 135 Ų | 135 | 62.3 Ų | 62.3 | 88% | 0.877 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 123.9 | 178.3 | 24 | -31.4 | 0 | 0 | 0 | 110.4 | ||
| 148 | G | 71.3 | Confident | 89.9 | Confident | 91 Ų | 91 | 61.5 Ų | 61.5 | 94% | 0.938 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.5 | 0.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | A146 | A146-G148 PolarHBondContact O-N 3.09Š|
| 149 | S | 75 | Confident | 89.9 | Confident | 38 Ų | 38 | 54.6 Ų | 54.6 | 27% | 0.266 | 33% | 0.33 | S | S | . | . | trans | -146.7 | 127.4 | 174.9 | 63.1 | 0 | 0 | 0 | 0 | 112.2 | A146 D151 L152 | A146-S149 PolarHBondContact O-N 3.16Å; S149-D151 VanDerWaalsContact C-N 3.27Å; S149-D151 PolarHBondContact O-N 2.84Å; S149-L152 WeakPolarHBondContact OG-CB 3.28Å | ||
| 150 | E | 75.7 | Confident | 89.9 | Confident | 156 Ų | 156 | 56.5 Ų | 56.5 | 73% | 0.729 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -72.8 | -21.5 | 175.1 | -60.7 | -163.7 | 163.4 | 0 | 0 | 112.9 | H153 | E150-H153 PolarHBondContact O-CE1 2.95Š|
| 151 | D | 86.8 | Confident | 89.9 | Confident | 63 Ų | 63 | 52.4 Ų | 52.4 | 34% | 0.337 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -92.6 | -15 | -175.2 | -74.9 | -35.8 | 0 | 0 | 0 | 114.4 | S149 L201 R205 | S149-D151 VanDerWaalsContact C-N 3.27Å; S149-D151 PolarHBondContact O-N 2.84Å; D151-L201 WeakPolarHBondContact O-CB 3.47Å; D151-L201 PolarHBondContact O-N 3.24Å; D151-R205 IonicContact OD1-NH1 3.37Å; D151-R205 PolarHBondContact OD1-NH1 3.4Å |
| 152 | L | 91.8 | Very high | 89.9 | Confident | 64 Ų | 64 | 52 Ų | 52 | 34% | 0.335 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 134.3 | 175.9 | -68.9 | 87.1 | 0 | 0 | 0 | 111.5 | A146 S149 V176 I199 | A146-L152 HydrophobicContact CB-CB 4.04Å; A146-L152 VanDerWaalsContact CB-O 3.23Å; A146-L152 WeakPolarHBondContact CB-O 3.45Å; A146-L152 PolarHBondContact N-O 2.97Å; S149-L152 WeakPolarHBondContact OG-CB 3.28Å; L152-V176 HydrophobicContact CD2-CG2 4.16Å; L152-I199 VanDerWaalsContact CA-O 3.31Å; L152-I199 WeakPolarHBondContact CA-O 3.24Å |
| 153 | H | 92.8 | Very high | 89.9 | Confident | 12 Ų | 12 | 50.7 Ų | 50.7 | 6% | 0.056 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 143.2 | 176 | -73.2 | 53 | 0 | 0 | 0 | 109.8 | L143 Q144 S145 E150 I199 L201 | L143-H153 HydrophobicContact CD1-CB 3.79Å; L143-H153 HydrophobicContact CG-CB 4.34Å; Q144-H153 CarbonylContact O-C 3.56Å; Q144-H153 WeakPolarHBondContact O-CA 3.31Å; S145-H153 PolarHBondContact OG-NE2 2.83Å; E150-H153 PolarHBondContact O-CE1 2.95Å; H153-I199 PolarHBondContact N-O 3.37Å; H153-I199 PolarHBondContact O-N 3.42Å; H153-L201 WeakPolarHBondContact CE1-CD1 3.42Å; H153-L201 VanDerWaalsContact ND1-CD1 3.33Å; H153-L201 WeakPolarHBondContact ND1-CD1 3.43Å |
| 154 | S | 93.8 | Very high | 90.1 | Very high | 31 Ų | 31 | 50.3 Ų | 50.3 | 22% | 0.217 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 119.8 | 172.6 | -176.3 | 0 | 0 | 0 | 0 | 109 | Q144 I196 Y197 | Q144-S154 PolarHBondContact N-O 2.81Å; Q144-S154 PolarHBondContact O-N 3.23Å; S154-I196 VanDerWaalsContact OG-CG2 3.31Å; S154-I196 WeakPolarHBondContact OG-CG2 3.44Å; S154-Y197 WeakPolarHBondContact CA-O 3.11Å |
| 155 | L | 96.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 107.8 | 173.6 | 174.4 | 61 | 0 | 0 | 0 | 109.1 | E142 L143 I169 I196 Y197 I199 L212 V214 V227 | E142-L155 WeakPolarHBondContact O-CA 3.37Å; L143-L155 HydrophobicContact CB-CD1 4.36Å; L143-L155 HydrophobicContact CD1-CB 3.89Å; L143-L155 HydrophobicContact CD1-CD1 4.3Å; L155-I169 HydrophobicContact CD2-CD1 3.68Å; L155-I196 WeakPolarHBondContact O-CA 3.49Å; L155-Y197 PolarHBondContact N-O 3.49Å; L155-Y197 PolarHBondContact O-N 2.87Å; L155-I199 HydrophobicContact CB-CG1 4.12Å; L155-L212 HydrophobicContact CD2-CD1 4.48Å; L155-V214 HydrophobicContact CD2-CG2 3.83Å; L155-V227 HydrophobicContact CD1-CG1 4.01Å; L155-V227 HydrophobicContact CD1-CG2 4.13Å; L155-V227 HydrophobicContact CD2-CG2 4.35Å |
| 156 | L | 97.1 | Very high | 91 | Very high | 57 Ų | 57 | 43 Ų | 43 | 30% | 0.298 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 119.7 | 174 | -179.8 | 71 | 0 | 0 | 0 | 109.2 | T141 E142 T194 I196 | T141-L156 CarbonylContact C-O 3.56Å; T141-L156 VanDerWaalsContact CA-O 3.27Å; T141-L156 WeakPolarHBondContact CA-O 3.27Å; E142-L156 HydrophobicContact CB-CB 4.4Å; E142-L156 PolarHBondContact N-O 3.42Å; E142-L156 PolarHBondContact O-N 2.8Å; L156-T194 HydrophobicContact CD1-CG2 3.41Å; L156-T194 VanDerWaalsContact CD1-CG2 3.41Å; L156-I196 HydrophobicContact CD1-CD1 4.2Å; L156-I196 HydrophobicContact CD1-CG1 3.75Å |
| 157 | C | 97.8 | Very high | 92 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 131.7 | 174 | -57.4 | 0 | 0 | 0 | 0 | 109.2 | V140 I167 T194 K195 V214 | V140-C157 CarbonylContact O-C 3.56Å; V140-C157 VanDerWaalsContact O-CA 3.3Å; V140-C157 WeakPolarHBondContact O-CA 3.47Å; C157-I167 HydrophobicContact CB-CD1 4.39Å; C157-I167 HydrophobicContact CB-CG2 3.9Å; C157-T194 CarbonylContact O-C 3.57Å; C157-T194 WeakPolarHBondContact O-CA 3.38Å; C157-K195 PolarHBondContact N-O 2.85Å; C157-K195 PolarHBondContact O-N 2.9Å; C157-V214 HydrophobicContact CB-CG1 4.27Å |
| 158 | S | 98.1 | Very high | 93.1 | Very high | 28 Ų | 28 | 38.3 Ų | 38.3 | 20% | 0.196 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 138.4 | 178.4 | -166.2 | 0 | 0 | 0 | 0 | 112.1 | V140 V193 T194 | V140-S158 PolarHBondContact N-O 3.45Å; V140-S158 PolarHBondContact O-N 2.95Å; S158-V193 VanDerWaalsContact CA-O 3.29Å; S158-V193 WeakPolarHBondContact CA-O 3.3Å; S158-V193 PolarHBondContact OG-O 2.81Å; S158-T194 PolarHBondContact OG-OG1 3.34Å; S158-T194 VanDerWaalsContact OG-OG1 3.08Å |
| 159 | A | 98.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 148.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | L139 P165 I167 V193 M216 | L139-A159 HydrophobicContact CD1-CB 4.34Å; A159-P165 HydrophobicContact CB-CB 4.45Å; A159-P165 HydrophobicContact CB-CG 3.82Å; A159-I167 HydrophobicContact CB-CD1 4.3Å; A159-V193 PolarHBondContact N-O 2.88Å; A159-V193 PolarHBondContact O-N 3.08Å; A159-M216 HydrophobicContact CB-SD 3.49Å; A159-M216 WeakPolarHBondContact CB-SD 3.49Å |
| 160 | V | 97.8 | Very high | 95.3 | Very high | 44 Ų | 44 | 40.8 Ų | 40.8 | 27% | 0.267 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 134.2 | 178.7 | -170.8 | 0 | 0 | 0 | 0 | 108.9 | V136 S137 V191 T192 | V136-V160 CarbonylContact C-O 3.45Å; V136-V160 VanDerWaalsContact CA-O 3.3Å; V136-V160 WeakPolarHBondContact CA-O 3.29Å; S137-V160 PolarHBondContact N-O 3.32Å; S137-V160 PolarHBondContact OG-N 3.05Å; S137-V160 PolarHBondContact OG-O 3.45Å; V160-V191 WeakPolarHBondContact CA-O 3.29Å; V160-T192 HydrophobicContact CG2-CG2 4.09Å; V160-T192 WeakPolarHBondContact CG2-OG1 3.23Å |
| 161 | G | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 167.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | T135 P163 V191 | T135-G161 CarbonylContact O-C 3.59Å; T135-G161 WeakPolarHBondContact O-CA 3.45Å; G161-P163 CarbonylContact C-O 3.56Å; G161-V191 PolarHBondContact N-O 3.46Å; G161-V191 PolarHBondContact O-N 2.86Å |
| 162 | K | 97.6 | Very high | 96.5 | Very high | 19 Ų | 19 | 34.3 Ų | 34.3 | 8% | 0.083 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 106.1 | 167.3 | -176.3 | 172.8 | -175.6 | -78.4 | 0 | 107.3 | F107 E110 I133 L134 T135 N188 A189 T190 H218 | F107-K162 HydrophobicContact CD1-CD 4.49Å; F107-K162 HydrophobicContact CE1-CD 3.94Å; E110-K162 IonicContact OE1-NZ 2.7Å; E110-K162 PolarHBondContact OE1-NZ 3.06Å; E110-K162 IonicContact OE2-NZ 3.87Å; E110-K162 PolarHBondContact OE2-NZ 2.97Å; I133-K162 WeakPolarHBondContact O-CD 3.47Å; I133-K162 PolarHBondContact O-NZ 2.92Å; L134-K162 VanDerWaalsContact CA-O 3.23Å; L134-K162 WeakPolarHBondContact CA-O 3.49Å; L134-K162 WeakPolarHBondContact CB-O 3.35Å; L134-K162 WeakPolarHBondContact CD2-O 3.44Å; T135-K162 HydrophobicContact CG2-CB 4.11Å; T135-K162 PolarHBondContact N-O 3.5Å; T135-K162 PolarHBondContact O-N 2.86Å; K162-N188 WeakPolarHBondContact CD-O 3.32Å; K162-A189 HydrophobicContact CD-CB 4.45Å; K162-T190 HydrophobicContact CB-CG2 4.14Å; K162-H218 PolarHBondContact O-NE2 2.85Å |
| 163 | P | 97.3 | Very high | 96.6 | Very high | 67 Ų | 67 | 37.3 Ų | 37.3 | 44% | 0.435 | 22% | 0.215 | S | C | . | . | S | Bend | cis | -69.2 | 179.4 | -1.9 | 33.7 | -39.4 | 0 | 0 | 0 | 113.7 | G161 H218 P219 | G161-P163 CarbonylContact C-O 3.56Å; P163-H218 WeakPolarHBondContact CD-NE2 3.32Å; P163-H218 PolarHBondContact O-CD2 3.37Å; P163-H218 VanDerWaalsContact O-CD2 3.22Å; P163-H218 PolarHBondContact O-NE2 2.81Å; P163-P219 HydrophobicContact CG-CG 4.11Å |
| 164 | A | 97.8 | Very high | 96.6 | Very high | 42 Ų | 42 | 36.7 Ų | 36.7 | 35% | 0.347 | 21% | 0.213 | S | C | . | . | P | Polyproline II helix | trans | -55.1 | 128.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | F183 V191 V193 | A164-F183 HydrophobicContact CB-CD1 4.34Å; A164-F183 HydrophobicContact CB-CE1 4.31Å; A164-V191 HydrophobicContact CB-CB 3.91Å; A164-V191 HydrophobicContact CB-CG1 3.86Å; A164-V191 HydrophobicContact CB-CG2 4.43Å; A164-V193 HydrophobicContact CB-CG2 3.86Å |
| 165 | P | 98.2 | Very high | 96.5 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.019 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -72.2 | 145 | 177.6 | 28.3 | -34.3 | 0 | 0 | 0 | 111.5 | V136 A159 V193 M216 H218 | V136-P165 HydrophobicContact CG2-CB 4.42Å; A159-P165 HydrophobicContact CB-CB 4.45Å; A159-P165 HydrophobicContact CB-CG 3.82Å; P165-V193 HydrophobicContact CG-CB 4.25Å; P165-V193 HydrophobicContact CG-CG2 4.08Å; P165-M216 HydrophobicContact CB-CG 3.93Å; P165-M216 HydrophobicContact CB-SD 4.06Å; P165-H218 HydrophobicContact CB-CB 4.4Å |
| 166 | G | 97.8 | Very high | 96.2 | Very high | 27 Ų | 27 | 40.7 Ų | 40.7 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 135.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | M216 T217 | G166-M216 CarbonylContact O-C 3.58Å; G166-M216 VanDerWaalsContact O-CA 3.27Å; G166-M216 WeakPolarHBondContact O-CA 3.2Å; G166-T217 WeakPolarHBondContact CA-OG1 3.48Å; G166-T217 PolarHBondContact N-O 3.38Å; G166-T217 PolarHBondContact O-N 2.77Å; G166-T217 PolarHBondContact O-OG1 2.84Å |
| 167 | I | 98.3 | Very high | 95.9 | Very high | 7 Ų | 7 | 42.5 Ų | 42.5 | 4% | 0.036 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 128.9 | 175.6 | -58.2 | 177.2 | 0 | 0 | 0 | 109.4 | L139 C157 A159 V193 K195 Y197 V214 | L139-I167 HydrophobicContact CD1-CD1 4.25Å; C157-I167 HydrophobicContact CB-CD1 4.39Å; C157-I167 HydrophobicContact CB-CG2 3.9Å; A159-I167 HydrophobicContact CB-CD1 4.3Å; I167-V193 HydrophobicContact CD1-CB 4.38Å; I167-V193 HydrophobicContact CD1-CG1 4.04Å; I167-V193 HydrophobicContact CG1-CG1 4.41Å; I167-K195 HydrophobicContact CB-CB 4.48Å; I167-K195 HydrophobicContact CB-CD 4.18Å; I167-K195 HydrophobicContact CG2-CB 4.36Å; I167-K195 HydrophobicContact CG2-CD 4.35Å; I167-K195 PolarHBondContact O-NZ 2.85Å; I167-K195 VanDerWaalsContact O-NZ 3.16Å; I167-Y197 HydrophobicContact CG2-CE2 4.39Å; I167-Y197 PolarHBondContact O-OH 2.84Å; I167-V214 HydrophobicContact CG2-CG1 3.84Å |
| 168 | S | 97.3 | Very high | 95.7 | Very high | 55 Ų | 55 | 46.4 Ų | 46.4 | 39% | 0.385 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 158.8 | 178.8 | 63.2 | 0 | 0 | 0 | 0 | 111.3 | Y197 V214 S215 | S168-Y197 WeakPolarHBondContact CA-OH 3.41Å; S168-V214 CarbonylContact O-C 3.52Å; S168-V214 WeakPolarHBondContact O-CA 3.39Å; S168-S215 PolarHBondContact N-O 3.36Å; S168-S215 PolarHBondContact O-N 2.9Å; S168-S215 PolarHBondContact OG-O 2.82Å |
| 169 | I | 97 | Very high | 95.5 | Very high | 18 Ų | 18 | 47.2 Ų | 47.2 | 9% | 0.092 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 142.4 | 179.9 | -165.7 | 174.4 | 0 | 0 | 0 | 110.1 | L155 Y197 I199 L212 V213 V214 | L155-I169 HydrophobicContact CD2-CD1 3.68Å; I169-Y197 HydrophobicContact CB-CD1 4.27Å; I169-Y197 HydrophobicContact CB-CE1 3.89Å; I169-Y197 HydrophobicContact CB-CE2 4.3Å; I169-Y197 HydrophobicContact CD1-CD1 4.35Å; I169-Y197 HydrophobicContact CD1-CD2 4.37Å; I169-Y197 HydrophobicContact CD1-CG 4.13Å; I169-Y197 HydrophobicContact CG2-CD1 3.59Å; I169-Y197 HydrophobicContact CG2-CE1 3.29Å; I169-Y197 HydrophobicContact CG2-CG 4.34Å; I169-I199 HydrophobicContact CD1-CD1 3.73Å; I169-L212 HydrophobicContact CD1-CD1 3.98Å; I169-V213 CarbonylContact C-O 3.56Å; I169-V213 WeakPolarHBondContact CA-O 3.31Å; I169-V214 HydrophobicContact CG1-CG2 4.4Å |
| 170 | Y | 96 | Very high | 95.4 | Very high | 162 Ų | 162 | 50.1 Ų | 50.1 | 64% | 0.635 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 137.2 | 173.3 | -178.5 | -93.8 | 0 | 0 | 0 | 110.9 | V213 | Y170-V213 PolarHBondContact N-O 2.97Å; Y170-V213 PolarHBondContact O-N 3.26Å |
| 171 | P | 94.8 | Very high | 95.4 | Very high | 10 Ų | 10 | 51.6 Ų | 51.6 | 7% | 0.065 | 30% | 0.297 | C | S | . | . | S | Bend | cis | -72.5 | 142.6 | -9.9 | 19.1 | -19.1 | 0 | 0 | 0 | 112.2 | Q173 V174 L209 | P171-Q173 PolarHBondContact O-N 2.77Å; P171-V174 HydrophobicContact CG-CG1 4.17Å; P171-V174 WeakPolarHBondContact O-CG2 3.32Å; P171-L209 HydrophobicContact CG-CD1 3.18Å; P171-L209 HydrophobicContact CG-CD2 4.21Å; P171-L209 HydrophobicContact CG-CG 4.32Å |
| 172 | S | 93.9 | Very high | 95.4 | Very high | 74 Ų | 74 | 57.7 Ų | 57.7 | 52% | 0.517 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -69.7 | -24.3 | -179.5 | 57.6 | 0 | 0 | 0 | 0 | 112.9 | V174 T175 | S172-V174 PolarHBondContact O-N 3.23Å; S172-V174 VanDerWaalsContact O-N 3.16Å; S172-T175 WeakPolarHBondContact O-CB 3.25Å; S172-T175 PolarHBondContact O-N 2.84Å; S172-T175 PolarHBondContact O-OG1 3.27Å; S172-T175 VanDerWaalsContact O-OG1 3.08Å |
| 173 | Q | 92.4 | Very high | 95.4 | Very high | 126 Ų | 126 | 62.6 Ų | 62.6 | 59% | 0.589 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -63.2 | -19.1 | -177.6 | -59.7 | 87.1 | -16.9 | 0 | 0 | 113.9 | P171 T175 L207 | P171-Q173 PolarHBondContact O-N 2.77Å; Q173-T175 PolarHBondContact O-N 2.77Å; Q173-L207 HydrophobicContact CB-CD1 4.36Å |
| 174 | V | 93.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -76.3 | -13.2 | 176.2 | -61 | 0 | 0 | 0 | 0 | 112.8 | P171 S172 I199 S200 A204 L207 L209 L212 | P171-V174 HydrophobicContact CG-CG1 4.17Å; P171-V174 WeakPolarHBondContact O-CG2 3.32Å; S172-V174 PolarHBondContact O-N 3.23Å; S172-V174 VanDerWaalsContact O-N 3.16Å; V174-I199 HydrophobicContact CB-CG2 4.33Å; V174-I199 HydrophobicContact CG2-CD1 4Å; V174-I199 HydrophobicContact CG2-CG2 4.25Å; V174-S200 PolarHBondContact O-N 2.83Å; V174-A204 HydrophobicContact CB-CB 4.49Å; V174-A204 HydrophobicContact CG1-CB 3.8Å; V174-L207 HydrophobicContact CG1-CD1 4.21Å; V174-L209 HydrophobicContact CG1-CD1 3.8Å; V174-L212 HydrophobicContact CB-CD2 4.41Å; V174-L212 HydrophobicContact CG1-CD2 4.22Å; V174-L212 HydrophobicContact CG2-CD1 4.1Å; V174-L212 HydrophobicContact CG2-CD2 3.57Å |
| 175 | T | 92.7 | Very high | 95.4 | Very high | 26 Ų | 26 | 68.5 Ų | 68.5 | 16% | 0.16 | 36% | 0.362 | C | S | . | . | B | Isolated β-bridge | trans | -83.4 | 127.9 | -179.4 | -38 | 0 | 0 | 0 | 0 | 110 | S172 Q173 Q177 Y197 N198 | S172-T175 WeakPolarHBondContact O-CB 3.25Å; S172-T175 PolarHBondContact O-N 2.84Å; S172-T175 PolarHBondContact O-OG1 3.27Å; S172-T175 VanDerWaalsContact O-OG1 3.08Å; Q173-T175 PolarHBondContact O-N 2.77Å; T175-Q177 VanDerWaalsContact C-N 3.34Å; T175-Q177 WeakPolarHBondContact CG2-O 3.42Å; T175-Q177 PolarHBondContact O-N 2.78Å; T175-Y197 HydrophobicContact CG2-CD1 4.1Å; T175-N198 CarbonylContact C-O 3.56Å; T175-N198 WeakPolarHBondContact CA-O 3.39Å; T175-N198 WeakPolarHBondContact CG2-O 3.5Å |
| 176 | V | 89.5 | Confident | 95.3 | Very high | 88 Ų | 88 | 71.2 Ų | 71.2 | 53% | 0.533 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -70.5 | -31.4 | -177.1 | -180 | 0 | 0 | 0 | 0 | 112.3 | L152 N198 | L152-V176 HydrophobicContact CD2-CG2 4.16Å; V176-N198 PolarHBondContact N-O 3.47Å |
| 177 | Q | 90.7 | Very high | 95.1 | Very high | 95 Ų | 95 | 73.4 Ų | 73.4 | 44% | 0.444 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -148.4 | 173.8 | -176 | 61.9 | 177.9 | 20.4 | 0 | 0 | 111.3 | T175 N198 | T175-Q177 VanDerWaalsContact C-N 3.34Å; T175-Q177 WeakPolarHBondContact CG2-O 3.42Å; T175-Q177 PolarHBondContact O-N 2.78Å; Q177-N198 HydrophobicContact CG-CB 4.49Å; Q177-N198 PolarHBondContact NE2-ND2 3.15Å |
| 178 | A | 93.6 | Very high | 94.8 | Very high | 82 Ų | 82 | 77.4 Ų | 77.4 | 68% | 0.678 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 136.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 179 | P | 94.2 | Very high | 94.7 | Very high | 45 Ų | 45 | 77.3 Ų | 77.3 | 29% | 0.292 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 143.9 | -178.5 | 27.3 | -34.4 | 0 | 0 | 0 | 111.5 | K195 I196 Y197 | P179-K195 HydrophobicContact CB-CD 4.44Å; P179-K195 HydrophobicContact CB-CG 3.89Å; P179-K195 HydrophobicContact CG-CD 4.43Å; P179-K195 HydrophobicContact CG-CG 4.4Å; P179-I196 VanDerWaalsContact CA-O 3.28Å; P179-I196 WeakPolarHBondContact CA-O 3.4Å; P179-I196 VanDerWaalsContact CB-O 3.31Å; P179-I196 WeakPolarHBondContact CB-O 3.26Å; P179-Y197 HydrophobicContact CB-CD1 3.64Å; P179-Y197 HydrophobicContact CB-CE1 3.65Å; P179-Y197 HydrophobicContact CB-CG 4.27Å; P179-Y197 HydrophobicContact CG-CD1 4.18Å; P179-Y197 HydrophobicContact CG-CE1 3.79Å |
| 180 | Q | 95.6 | Very high | 94.7 | Very high | 63 Ų | 63 | 77.3 Ų | 77.3 | 29% | 0.294 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 128.4 | 168.6 | -63.9 | 88.6 | -17.7 | 0 | 0 | 109.2 | Y182 K195 I196 | Q180-Y182 HydrophobicContact CB-CE2 3.84Å; Q180-K195 CarbonylContact O-C 3.6Å; Q180-K195 WeakPolarHBondContact O-CA 3.14Å; Q180-I196 HydrophobicContact CB-CB 4.41Å; Q180-I196 PolarHBondContact N-O 2.91Å; Q180-I196 VanDerWaalsContact N-O 3.15Å; Q180-I196 PolarHBondContact O-N 2.79Å; Q180-I196 PolarHBondContact OE1-O 3.01Å |
| 181 | E | 97.4 | Very high | 94.8 | Very high | 75 Ų | 75 | 71 Ų | 71 | 35% | 0.35 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 128.2 | -174.8 | -169.1 | 165.4 | -178.1 | 0 | 0 | 110.2 | F183 V193 T194 K195 | E181-F183 HydrophobicContact CG-CE2 3.72Å; E181-F183 HydrophobicContact CG-CZ 3.89Å; E181-F183 WeakPolarHBondContact OE1-CZ 3.47Å; E181-V193 HydrophobicContact CG-CG1 4.43Å; E181-T194 WeakPolarHBondContact CA-O 3.35Å; E181-K195 HydrophobicContact CB-CG 4.46Å; E181-K195 HydrophobicContact CG-CD 4.31Å; E181-K195 HydrophobicContact CG-CG 4.46Å; E181-K195 IonicContact OE1-NZ 3.05Å; E181-K195 WeakPolarHBondContact OE2-CE 3.46Å; E181-K195 IonicContact OE2-NZ 3.38Å; E181-K195 PolarHBondContact OE2-NZ 2.82Å |
| 182 | Y | 97.6 | Very high | 94.9 | Very high | 127 Ų | 127 | 71.7 Ų | 71.7 | 50% | 0.498 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 137.2 | -176.3 | -55.7 | -85.9 | 0 | 0 | 0 | 110.1 | Q180 T194 I196 | Q180-Y182 HydrophobicContact CB-CE2 3.84Å; Y182-T194 PolarHBondContact N-O 3.15Å; Y182-T194 PolarHBondContact O-N 2.8Å; Y182-I196 HydrophobicContact CE2-CD1 3.98Å |
| 183 | F | 98 | Very high | 95.1 | Very high | 122 Ų | 122 | 68.1 Ų | 68.1 | 54% | 0.535 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 120 | 177.1 | -62.5 | -93.5 | 0 | 0 | 0 | 109.1 | A164 E181 V191 T192 V193 | A164-F183 HydrophobicContact CB-CD1 4.34Å; A164-F183 HydrophobicContact CB-CE1 4.31Å; E181-F183 HydrophobicContact CG-CE2 3.72Å; E181-F183 HydrophobicContact CG-CZ 3.89Å; E181-F183 WeakPolarHBondContact OE1-CZ 3.47Å; F183-V191 HydrophobicContact CB-CG1 4.21Å; F183-V191 HydrophobicContact CD1-CG1 4.01Å; F183-T192 WeakPolarHBondContact CA-O 3.48Å; F183-V193 HydrophobicContact CD1-CG2 3.68Å; F183-V193 HydrophobicContact CE1-CG1 4.18Å; F183-V193 HydrophobicContact CE1-CG2 3.64Å |
| 184 | V | 97.7 | Very high | 95.4 | Very high | 78 Ų | 78 | 63.6 Ų | 63.6 | 47% | 0.473 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 119.2 | 176 | -178.3 | 0 | 0 | 0 | 0 | 108.6 | V191 T192 | V184-V191 CarbonylContact O-C 3.57Å; V184-V191 WeakPolarHBondContact O-CA 3.35Å; V184-T192 PolarHBondContact N-O 2.84Å; V184-T192 PolarHBondContact O-N 3.48Å |
| 185 | Q | 96.9 | Very high | 95.6 | Very high | 156 Ų | 156 | 64.9 Ų | 64.9 | 73% | 0.729 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 123.1 | 175.1 | -172.3 | 173.7 | 4.6 | 0 | 0 | 109.7 | ||
| 186 | N | 95.9 | Very high | 95.8 | Very high | 60 Ų | 60 | 65.5 Ų | 65.5 | 32% | 0.321 | 36% | 0.362 | S | S | . | . | trans | -104.8 | -176.2 | 177.6 | -48.6 | -61.5 | 0 | 0 | 0 | 110.8 | T190 T192 | N186-T190 WeakPolarHBondContact CB-OG1 3.48Å; N186-T190 PolarHBondContact N-O 2.79Å; N186-T192 PolarHBondContact ND2-N 2.93Å; N186-T192 PolarHBondContact ND2-OG1 3.05Å | ||
| 187 | A | 93.4 | Very high | 96.1 | Very high | 73 Ų | 73 | 61.6 Ų | 61.6 | 60% | 0.603 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -55.3 | 159.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A189 T190 | A187-A189 PolarHBondContact O-N 2.86Å; A187-A189 VanDerWaalsContact O-N 3.15Å; A187-T190 PolarHBondContact O-N 3.32Å; A187-T190 PolarHBondContact O-OG1 2.89Å |
| 188 | N | 93.5 | Very high | 96.2 | Very high | 90 Ų | 90 | 59.1 Ų | 59.1 | 48% | 0.481 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | 57.5 | 25.7 | 178.7 | -54.1 | -32.9 | 0 | 0 | 0 | 114.3 | F107 K162 T190 | F107-N188 HydrophobicContact CB-CB 4.16Å; F107-N188 HydrophobicContact CD1-CB 4Å; F107-N188 HydrophobicContact CD2-CB 3.45Å; F107-N188 VanDerWaalsContact CD2-CB 3.45Å; F107-N188 VanDerWaalsContact CD2-CG 3.45Å; F107-N188 VanDerWaalsContact CD2-ND2 3.26Å; F107-N188 WeakPolarHBondContact CD2-ND2 3.39Å; F107-N188 HydrophobicContact CE1-CB 4.22Å; F107-N188 HydrophobicContact CE2-CB 3.68Å; F107-N188 HydrophobicContact CG-CB 3.6Å; F107-N188 HydrophobicContact CZ-CB 4.05Å; K162-N188 WeakPolarHBondContact CD-O 3.32Å; N188-T190 PolarHBondContact O-N 3.02Å; N188-T190 VanDerWaalsContact O-N 3.14Å |
| 189 | A | 93.4 | Very high | 96.3 | Very high | 53 Ų | 53 | 55.2 Ų | 55.2 | 44% | 0.438 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | 55.9 | 26.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | K162 A187 | K162-A189 HydrophobicContact CD-CB 4.45Å; A187-A189 PolarHBondContact O-N 2.86Å; A187-A189 VanDerWaalsContact O-N 3.15Å |
| 190 | T | 97.1 | Very high | 96.2 | Very high | 18 Ų | 18 | 53.9 Ų | 53.9 | 11% | 0.11 | 29% | 0.287 | C | S | . | . | trans | -79.8 | 150.1 | 169 | 58.4 | 0 | 0 | 0 | 0 | 110 | F107 T135 K162 N186 A187 N188 | F107-T190 HydrophobicContact CE1-CG2 4.42Å; F107-T190 HydrophobicContact CZ-CG2 3.86Å; T135-T190 HydrophobicContact CG2-CG2 3.76Å; K162-T190 HydrophobicContact CB-CG2 4.14Å; N186-T190 WeakPolarHBondContact CB-OG1 3.48Å; N186-T190 PolarHBondContact N-O 2.79Å; A187-T190 PolarHBondContact O-N 3.32Å; A187-T190 PolarHBondContact O-OG1 2.89Å; N188-T190 PolarHBondContact O-N 3.02Å; N188-T190 VanDerWaalsContact O-N 3.14Å | ||
| 191 | V | 98.1 | Very high | 96 | Very high | 30 Ų | 30 | 51 Ų | 51 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 124.7 | -178.1 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | V160 G161 A164 F183 V184 V193 | V160-V191 WeakPolarHBondContact CA-O 3.29Å; G161-V191 PolarHBondContact N-O 3.46Å; G161-V191 PolarHBondContact O-N 2.86Å; A164-V191 HydrophobicContact CB-CB 3.91Å; A164-V191 HydrophobicContact CB-CG1 3.86Å; A164-V191 HydrophobicContact CB-CG2 4.43Å; F183-V191 HydrophobicContact CB-CG1 4.21Å; F183-V191 HydrophobicContact CD1-CG1 4.01Å; V184-V191 CarbonylContact O-C 3.57Å; V184-V191 WeakPolarHBondContact O-CA 3.35Å; V191-V193 HydrophobicContact CG1-CG2 4.31Å |
| 192 | T | 98.1 | Very high | 95.7 | Very high | 24 Ų | 24 | 54.5 Ų | 54.5 | 15% | 0.147 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 123 | 167.3 | -56.2 | 0 | 0 | 0 | 0 | 108.6 | V160 F183 V184 N186 | V160-T192 HydrophobicContact CG2-CG2 4.09Å; V160-T192 WeakPolarHBondContact CG2-OG1 3.23Å; F183-T192 WeakPolarHBondContact CA-O 3.48Å; V184-T192 PolarHBondContact N-O 2.84Å; V184-T192 PolarHBondContact O-N 3.48Å; N186-T192 PolarHBondContact ND2-N 2.93Å; N186-T192 PolarHBondContact ND2-OG1 3.05Å |
| 193 | V | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 123.7 | 172.7 | 179.8 | 0 | 0 | 0 | 0 | 107.6 | S158 A159 A164 P165 I167 E181 F183 V191 | S158-V193 VanDerWaalsContact CA-O 3.29Å; S158-V193 WeakPolarHBondContact CA-O 3.3Å; S158-V193 PolarHBondContact OG-O 2.81Å; A159-V193 PolarHBondContact N-O 2.88Å; A159-V193 PolarHBondContact O-N 3.08Å; A164-V193 HydrophobicContact CB-CG2 3.86Å; P165-V193 HydrophobicContact CG-CB 4.25Å; P165-V193 HydrophobicContact CG-CG2 4.08Å; I167-V193 HydrophobicContact CD1-CB 4.38Å; I167-V193 HydrophobicContact CD1-CG1 4.04Å; I167-V193 HydrophobicContact CG1-CG1 4.41Å; E181-V193 HydrophobicContact CG-CG1 4.43Å; F183-V193 HydrophobicContact CD1-CG2 3.68Å; F183-V193 HydrophobicContact CE1-CG1 4.18Å; F183-V193 HydrophobicContact CE1-CG2 3.64Å; V191-V193 HydrophobicContact CG1-CG2 4.31Å |
| 194 | T | 98 | Very high | 95.2 | Very high | 30 Ų | 30 | 45 Ų | 45 | 18% | 0.184 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 123.7 | 175.8 | -62.3 | 0 | 0 | 0 | 0 | 108.9 | L156 C157 S158 E181 Y182 | L156-T194 HydrophobicContact CD1-CG2 3.41Å; L156-T194 VanDerWaalsContact CD1-CG2 3.41Å; C157-T194 CarbonylContact O-C 3.57Å; C157-T194 WeakPolarHBondContact O-CA 3.38Å; S158-T194 PolarHBondContact OG-OG1 3.34Å; S158-T194 VanDerWaalsContact OG-OG1 3.08Å; E181-T194 WeakPolarHBondContact CA-O 3.35Å; Y182-T194 PolarHBondContact N-O 3.15Å; Y182-T194 PolarHBondContact O-N 2.8Å |
| 195 | K | 97.8 | Very high | 94.9 | Very high | 27 Ų | 27 | 45.6 Ų | 45.6 | 12% | 0.117 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 127.3 | -176.5 | -161.3 | 157.6 | -176.1 | 158.7 | 0 | 110.5 | C157 I167 P179 Q180 E181 Y197 | C157-K195 PolarHBondContact N-O 2.85Å; C157-K195 PolarHBondContact O-N 2.9Å; I167-K195 HydrophobicContact CB-CB 4.48Å; I167-K195 HydrophobicContact CB-CD 4.18Å; I167-K195 HydrophobicContact CG2-CB 4.36Å; I167-K195 HydrophobicContact CG2-CD 4.35Å; I167-K195 PolarHBondContact O-NZ 2.85Å; I167-K195 VanDerWaalsContact O-NZ 3.16Å; P179-K195 HydrophobicContact CB-CD 4.44Å; P179-K195 HydrophobicContact CB-CG 3.89Å; P179-K195 HydrophobicContact CG-CD 4.43Å; P179-K195 HydrophobicContact CG-CG 4.4Å; Q180-K195 CarbonylContact O-C 3.6Å; Q180-K195 WeakPolarHBondContact O-CA 3.14Å; E181-K195 HydrophobicContact CB-CG 4.46Å; E181-K195 HydrophobicContact CG-CD 4.31Å; E181-K195 HydrophobicContact CG-CG 4.46Å; E181-K195 IonicContact OE1-NZ 3.05Å; E181-K195 WeakPolarHBondContact OE2-CE 3.46Å; E181-K195 IonicContact OE2-NZ 3.38Å; E181-K195 PolarHBondContact OE2-NZ 2.82Å; K195-Y197 HydrophobicContact CB-CE2 4.09Å; K195-Y197 HydrophobicContact CD-CE1 4.45Å; K195-Y197 HydrophobicContact CD-CE2 4.04Å; K195-Y197 WeakPolarHBondContact CD-OH 3.25Å; K195-Y197 VanDerWaalsContact CE-OH 3.22Å; K195-Y197 WeakPolarHBondContact CE-OH 3.32Å; K195-Y197 HydrophobicContact CG-CD2 4.38Å; K195-Y197 HydrophobicContact CG-CE1 4.42Å; K195-Y197 HydrophobicContact CG-CE2 3.68Å |
| 196 | I | 96.4 | Very high | 94.6 | Very high | 39 Ų | 39 | 42.7 Ų | 42.7 | 20% | 0.2 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 122.8 | -176.9 | -53.8 | 178.6 | 0 | 0 | 0 | 108.3 | S154 L155 L156 P179 Q180 Y182 | S154-I196 VanDerWaalsContact OG-CG2 3.31Å; S154-I196 WeakPolarHBondContact OG-CG2 3.44Å; L155-I196 WeakPolarHBondContact O-CA 3.49Å; L156-I196 HydrophobicContact CD1-CD1 4.2Å; L156-I196 HydrophobicContact CD1-CG1 3.75Å; P179-I196 VanDerWaalsContact CA-O 3.28Å; P179-I196 WeakPolarHBondContact CA-O 3.4Å; P179-I196 VanDerWaalsContact CB-O 3.31Å; P179-I196 WeakPolarHBondContact CB-O 3.26Å; Q180-I196 HydrophobicContact CB-CB 4.41Å; Q180-I196 PolarHBondContact N-O 2.91Å; Q180-I196 VanDerWaalsContact N-O 3.15Å; Q180-I196 PolarHBondContact O-N 2.79Å; Q180-I196 PolarHBondContact OE1-O 3.01Å; Y182-I196 HydrophobicContact CE2-CD1 3.98Å |
| 197 | Y | 95.7 | Very high | 94.4 | Very high | 7 Ų | 7 | 44.1 Ų | 44.1 | 3% | 0.027 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 128.2 | 177.7 | -61.8 | -89.8 | 0 | 0 | 0 | 110.5 | S154 L155 I167 S168 I169 T175 P179 K195 | S154-Y197 WeakPolarHBondContact CA-O 3.11Å; L155-Y197 PolarHBondContact N-O 3.49Å; L155-Y197 PolarHBondContact O-N 2.87Å; I167-Y197 HydrophobicContact CG2-CE2 4.39Å; I167-Y197 PolarHBondContact O-OH 2.84Å; S168-Y197 WeakPolarHBondContact CA-OH 3.41Å; I169-Y197 HydrophobicContact CB-CD1 4.27Å; I169-Y197 HydrophobicContact CB-CE1 3.89Å; I169-Y197 HydrophobicContact CB-CE2 4.3Å; I169-Y197 HydrophobicContact CD1-CD1 4.35Å; I169-Y197 HydrophobicContact CD1-CD2 4.37Å; I169-Y197 HydrophobicContact CD1-CG 4.13Å; I169-Y197 HydrophobicContact CG2-CD1 3.59Å; I169-Y197 HydrophobicContact CG2-CE1 3.29Å; I169-Y197 HydrophobicContact CG2-CG 4.34Å; T175-Y197 HydrophobicContact CG2-CD1 4.1Å; P179-Y197 HydrophobicContact CB-CD1 3.64Å; P179-Y197 HydrophobicContact CB-CE1 3.65Å; P179-Y197 HydrophobicContact CB-CG 4.27Å; P179-Y197 HydrophobicContact CG-CD1 4.18Å; P179-Y197 HydrophobicContact CG-CE1 3.79Å; K195-Y197 HydrophobicContact CB-CE2 4.09Å; K195-Y197 HydrophobicContact CD-CE1 4.45Å; K195-Y197 HydrophobicContact CD-CE2 4.04Å; K195-Y197 WeakPolarHBondContact CD-OH 3.25Å; K195-Y197 VanDerWaalsContact CE-OH 3.22Å; K195-Y197 WeakPolarHBondContact CE-OH 3.32Å; K195-Y197 HydrophobicContact CG-CD2 4.38Å; K195-Y197 HydrophobicContact CG-CE1 4.42Å; K195-Y197 HydrophobicContact CG-CE2 3.68Å |
| 198 | N | 94.3 | Very high | 94.3 | Very high | 42 Ų | 42 | 43.5 Ų | 43.5 | 23% | 0.225 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 103.8 | 171.8 | -71.4 | -15.2 | 0 | 0 | 0 | 109.5 | T175 V176 Q177 | T175-N198 CarbonylContact C-O 3.56Å; T175-N198 WeakPolarHBondContact CA-O 3.39Å; T175-N198 WeakPolarHBondContact CG2-O 3.5Å; V176-N198 PolarHBondContact N-O 3.47Å; Q177-N198 HydrophobicContact CG-CB 4.49Å; Q177-N198 PolarHBondContact NE2-ND2 3.15Å |
| 199 | I | 94.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 130.2 | -173.7 | -54.4 | -55.4 | 0 | 0 | 0 | 110.7 | L152 H153 L155 I169 V174 L212 L229 | L152-I199 VanDerWaalsContact CA-O 3.31Å; L152-I199 WeakPolarHBondContact CA-O 3.24Å; H153-I199 PolarHBondContact N-O 3.37Å; H153-I199 PolarHBondContact O-N 3.42Å; L155-I199 HydrophobicContact CB-CG1 4.12Å; I169-I199 HydrophobicContact CD1-CD1 3.73Å; V174-I199 HydrophobicContact CB-CG2 4.33Å; V174-I199 HydrophobicContact CG2-CD1 4Å; V174-I199 HydrophobicContact CG2-CG2 4.25Å; I199-L212 HydrophobicContact CD1-CD1 3.87Å; I199-L212 HydrophobicContact CG1-CD1 3.98Å; I199-L212 HydrophobicContact CG2-CD1 3.93Å; I199-L229 HydrophobicContact CG2-CD2 4.3Å |
| 200 | S | 92.9 | Very high | 94.2 | Very high | 17 Ų | 17 | 45.7 Ų | 45.7 | 12% | 0.119 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 107.9 | 168.7 | 169.6 | 0 | 0 | 0 | 0 | 110.4 | V174 K202 T203 A204 | V174-S200 PolarHBondContact O-N 2.83Å; S200-K202 VanDerWaalsContact C-N 3.26Å; S200-K202 PolarHBondContact O-N 3.16Å; S200-T203 WeakPolarHBondContact CB-OG1 3.38Å; S200-T203 PolarHBondContact O-N 2.85Å; S200-T203 WeakPolarHBondContact OG-CB 3.32Å; S200-T203 PolarHBondContact OG-N 2.83Å; S200-T203 VanDerWaalsContact OG-N 3.09Å; S200-T203 PolarHBondContact OG-OG1 2.82Å; S200-A204 PolarHBondContact O-N 2.87Å |
| 201 | L | 91.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.9 | -35.1 | 174.1 | -67.6 | -176.5 | 0 | 0 | 0 | 112 | D151 H153 T203 A204 R205 L229 P230 | D151-L201 WeakPolarHBondContact O-CB 3.47Å; D151-L201 PolarHBondContact O-N 3.24Å; H153-L201 WeakPolarHBondContact CE1-CD1 3.42Å; H153-L201 VanDerWaalsContact ND1-CD1 3.33Å; H153-L201 WeakPolarHBondContact ND1-CD1 3.43Å; L201-T203 VanDerWaalsContact C-N 3.31Å; L201-T203 PolarHBondContact O-N 3.45Å; L201-A204 PolarHBondContact O-N 2.91Å; L201-R205 WeakPolarHBondContact O-CB 3.31Å; L201-R205 WeakPolarHBondContact O-CD 3.28Å; L201-R205 WeakPolarHBondContact O-CG 3.36Å; L201-R205 PolarHBondContact O-N 3.47Å; L201-L229 HydrophobicContact CD2-CB 4.21Å; L201-L229 HydrophobicContact CD2-CD2 3.92Å; L201-L229 HydrophobicContact CD2-CG 4.45Å; L201-P230 HydrophobicContact CD1-CG 3.65Å; L201-P230 HydrophobicContact CD2-CG 3.99Å; L201-P230 HydrophobicContact CG-CG 4.48Å |
| 202 | K | 91.1 | Very high | 94 | Very high | 150 Ų | 150 | 46.5 Ų | 46.5 | 65% | 0.652 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -58.4 | -45.7 | 174.8 | -176.1 | 178.7 | 179.9 | 178.8 | 0 | 111 | S200 S206 | S200-K202 VanDerWaalsContact C-N 3.26Å; S200-K202 PolarHBondContact O-N 3.16Å; K202-S206 WeakPolarHBondContact O-CB 3.26Å; K202-S206 PolarHBondContact O-N 3.08Å |
| 203 | T | 92.1 | Very high | 94 | Very high | 48 Ų | 48 | 47.2 Ų | 47.2 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.9 | -46.7 | 177.1 | -53.7 | 0 | 0 | 0 | 0 | 110.8 | S200 L201 R205 S206 L207 | S200-T203 WeakPolarHBondContact CB-OG1 3.38Å; S200-T203 PolarHBondContact O-N 2.85Å; S200-T203 WeakPolarHBondContact OG-CB 3.32Å; S200-T203 PolarHBondContact OG-N 2.83Å; S200-T203 VanDerWaalsContact OG-N 3.09Å; S200-T203 PolarHBondContact OG-OG1 2.82Å; L201-T203 VanDerWaalsContact C-N 3.31Å; L201-T203 PolarHBondContact O-N 3.45Å; T203-R205 VanDerWaalsContact C-N 3.32Å; T203-R205 PolarHBondContact O-N 2.79Å; T203-S206 WeakPolarHBondContact CA-OG 3.36Å; T203-S206 PolarHBondContact O-N 3.19Å; T203-S206 VanDerWaalsContact O-N 3.15Å; T203-S206 PolarHBondContact O-OG 3.18Å; T203-L207 HydrophobicContact CG2-CD1 4.23Å; T203-L207 WeakPolarHBondContact O-CG 3.29Å; T203-L207 PolarHBondContact O-N 2.99Å; T203-L207 VanDerWaalsContact O-N 3.08Å |
| 204 | A | 92.9 | Very high | 94 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.7 | -44 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V174 S200 L201 L207 G208 L209 L229 | V174-A204 HydrophobicContact CB-CB 4.49Å; V174-A204 HydrophobicContact CG1-CB 3.8Å; S200-A204 PolarHBondContact O-N 2.87Å; L201-A204 PolarHBondContact O-N 2.91Å; A204-L207 CarbonylContact O-C 3.55Å; A204-L207 PolarHBondContact O-N 3.23Å; A204-G208 PolarHBondContact O-N 3.22Å; A204-L209 HydrophobicContact CB-CB 4.38Å; A204-L209 WeakPolarHBondContact O-CB 3.37Å; A204-L209 PolarHBondContact O-N 2.87Å; A204-L229 HydrophobicContact CB-CD1 3.48Å; A204-L229 VanDerWaalsContact CB-CD1 3.48Å |
| 205 | R | 91.2 | Very high | 94 | Very high | 91 Ų | 91 | 46.7 Ų | 46.7 | 34% | 0.343 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 175.2 | -71 | 166.5 | -173 | 161.8 | 1.3 | 112.1 | D151 L201 T203 L207 G208 N232 | D151-R205 IonicContact OD1-NH1 3.37Å; D151-R205 PolarHBondContact OD1-NH1 3.4Å; L201-R205 WeakPolarHBondContact O-CB 3.31Å; L201-R205 WeakPolarHBondContact O-CD 3.28Å; L201-R205 WeakPolarHBondContact O-CG 3.36Å; L201-R205 PolarHBondContact O-N 3.47Å; T203-R205 VanDerWaalsContact C-N 3.32Å; T203-R205 PolarHBondContact O-N 2.79Å; R205-L207 PolarHBondContact O-N 2.84Å; R205-G208 PolarHBondContact O-N 3.02Å; R205-N232 PolarHBondContact NH1-ND2 2.76Å; R205-N232 PolarHBondContact NH2-ND2 2.87Å; R205-N232 PolarHBondContact NH2-OD1 3.33Å |
| 206 | S | 91 | Very high | 94 | Very high | 94 Ų | 94 | 45.5 Ų | 45.5 | 66% | 0.657 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -62.8 | -25.5 | 176.6 | 71.9 | 0 | 0 | 0 | 0 | 113.2 | K202 T203 | K202-S206 WeakPolarHBondContact O-CB 3.26Å; K202-S206 PolarHBondContact O-N 3.08Å; T203-S206 WeakPolarHBondContact CA-OG 3.36Å; T203-S206 PolarHBondContact O-N 3.19Å; T203-S206 VanDerWaalsContact O-N 3.15Å; T203-S206 PolarHBondContact O-OG 3.18Å |
| 207 | L | 91.7 | Very high | 94.1 | Very high | 91 Ų | 91 | 47.2 Ų | 47.2 | 48% | 0.476 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 1.6 | 173.8 | -64.6 | 173.2 | 0 | 0 | 0 | 113.2 | Q173 V174 T203 A204 R205 L209 | Q173-L207 HydrophobicContact CB-CD1 4.36Å; V174-L207 HydrophobicContact CG1-CD1 4.21Å; T203-L207 HydrophobicContact CG2-CD1 4.23Å; T203-L207 WeakPolarHBondContact O-CG 3.29Å; T203-L207 PolarHBondContact O-N 2.99Å; T203-L207 VanDerWaalsContact O-N 3.08Å; A204-L207 CarbonylContact O-C 3.55Å; A204-L207 PolarHBondContact O-N 3.23Å; R205-L207 PolarHBondContact O-N 2.84Å; L207-L209 VanDerWaalsContact C-N 3.27Å; L207-L209 HydrophobicContact CB-CD1 3.65Å; L207-L209 HydrophobicContact CB-CG 3.79Å; L207-L209 HydrophobicContact CD1-CD1 3.87Å; L207-L209 HydrophobicContact CG-CD1 4.43Å; L207-L209 PolarHBondContact O-N 2.96Å |
| 208 | G | 91.5 | Very high | 94.2 | Very high | 59 Ų | 59 | 47.4 Ų | 47.4 | 61% | 0.608 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 20.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | A204 R205 | A204-G208 PolarHBondContact O-N 3.22Å; R205-G208 PolarHBondContact O-N 3.02Å |
| 209 | L | 92.4 | Very high | 94.3 | Very high | 49 Ų | 49 | 50.1 Ų | 50.1 | 26% | 0.257 | 28% | 0.284 | S | S | . | . | trans | -88.5 | 131.2 | -174.3 | -59.6 | 165.4 | 0 | 0 | 0 | 111.5 | P171 V174 A204 L207 | P171-L209 HydrophobicContact CG-CD1 3.18Å; P171-L209 HydrophobicContact CG-CD2 4.21Å; P171-L209 HydrophobicContact CG-CG 4.32Å; V174-L209 HydrophobicContact CG1-CD1 3.8Å; A204-L209 HydrophobicContact CB-CB 4.38Å; A204-L209 WeakPolarHBondContact O-CB 3.37Å; A204-L209 PolarHBondContact O-N 2.87Å; L207-L209 VanDerWaalsContact C-N 3.27Å; L207-L209 HydrophobicContact CB-CD1 3.65Å; L207-L209 HydrophobicContact CB-CG 3.79Å; L207-L209 HydrophobicContact CD1-CD1 3.87Å; L207-L209 HydrophobicContact CG-CD1 4.43Å; L207-L209 PolarHBondContact O-N 2.96Å | ||
| 210 | Q | 92.6 | Very high | 94.4 | Very high | 141 Ų | 141 | 52.4 Ų | 52.4 | 66% | 0.659 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -103.5 | -20.8 | 172.7 | -66 | 164.2 | 42.8 | 0 | 0 | 111.9 | L229 | Q210-L229 WeakPolarHBondContact O-CB 3.42Å; Q210-L229 PolarHBondContact O-N 2.9Å |
| 211 | N | 94.8 | Very high | 94.6 | Very high | 64 Ų | 64 | 55.9 Ų | 55.9 | 34% | 0.342 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 150.7 | -174.2 | -54.1 | -42.2 | 0 | 0 | 0 | 110.4 | I226 V227 H228 | N211-I226 HydrophobicContact CB-CG2 3.69Å; N211-V227 CarbonylContact C-O 3.59Å; N211-V227 WeakPolarHBondContact CA-O 2.92Å; N211-H228 PolarHBondContact OD1-ND1 2.97Å |
| 212 | L | 95.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 156.6 | 166 | -54.9 | 179.4 | 0 | 0 | 0 | 109.4 | L155 I169 V174 I199 I226 V227 L229 | L155-L212 HydrophobicContact CD2-CD1 4.48Å; I169-L212 HydrophobicContact CD1-CD1 3.98Å; V174-L212 HydrophobicContact CB-CD2 4.41Å; V174-L212 HydrophobicContact CG1-CD2 4.22Å; V174-L212 HydrophobicContact CG2-CD1 4.1Å; V174-L212 HydrophobicContact CG2-CD2 3.57Å; I199-L212 HydrophobicContact CD1-CD1 3.87Å; I199-L212 HydrophobicContact CG1-CD1 3.98Å; I199-L212 HydrophobicContact CG2-CD1 3.93Å; L212-I226 CarbonylContact O-C 3.56Å; L212-I226 WeakPolarHBondContact O-CA 3Å; L212-V227 HydrophobicContact CB-CB 4.37Å; L212-V227 PolarHBondContact N-O 2.87Å; L212-V227 PolarHBondContact O-N 2.84Å; L212-L229 HydrophobicContact CD1-CD2 3.75Å; L212-L229 HydrophobicContact CD2-CD1 4.12Å; L212-L229 HydrophobicContact CG-CD1 4.11Å; L212-L229 HydrophobicContact CG-CD2 3.84Å; L212-L229 HydrophobicContact CG-CG 4.07Å |
| 213 | V | 97.2 | Very high | 95.2 | Very high | 39 Ų | 39 | 56.5 Ų | 56.5 | 24% | 0.236 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 123.8 | 173.6 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | I169 Y170 E224 | I169-V213 CarbonylContact C-O 3.56Å; I169-V213 WeakPolarHBondContact CA-O 3.31Å; Y170-V213 PolarHBondContact N-O 2.97Å; Y170-V213 PolarHBondContact O-N 3.26Å; V213-E224 HydrophobicContact CG1-CB 4.18Å |
| 214 | V | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 124.2 | 171.1 | -173.2 | 0 | 0 | 0 | 0 | 107.9 | L139 T141 L155 C157 I167 S168 I169 E224 K225 V227 | L139-V214 HydrophobicContact CD1-CG1 4.41Å; L139-V214 HydrophobicContact CD2-CB 4.05Å; L139-V214 HydrophobicContact CD2-CG1 3.73Å; T141-V214 HydrophobicContact CG2-CB 4.24Å; T141-V214 HydrophobicContact CG2-CG1 4.4Å; T141-V214 HydrophobicContact CG2-CG2 4.18Å; L155-V214 HydrophobicContact CD2-CG2 3.83Å; C157-V214 HydrophobicContact CB-CG1 4.27Å; I167-V214 HydrophobicContact CG2-CG1 3.84Å; S168-V214 CarbonylContact O-C 3.52Å; S168-V214 WeakPolarHBondContact O-CA 3.39Å; I169-V214 HydrophobicContact CG1-CG2 4.4Å; V214-E224 CarbonylContact O-C 3.56Å; V214-E224 WeakPolarHBondContact O-CA 3.46Å; V214-K225 PolarHBondContact N-O 2.86Å; V214-K225 PolarHBondContact O-N 3.24Å; V214-V227 HydrophobicContact CG2-CG2 3.86Å |
| 215 | S | 98 | Very high | 95.7 | Very high | 20 Ų | 20 | 65 Ų | 65 | 14% | 0.14 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 126.6 | -177.4 | -51.6 | 0 | 0 | 0 | 0 | 110.3 | S168 E223 | S168-S215 PolarHBondContact N-O 3.36Å; S168-S215 PolarHBondContact O-N 2.9Å; S168-S215 PolarHBondContact OG-O 2.82Å; S215-E223 CarbonylContact C-O 3.59Å; S215-E223 WeakPolarHBondContact CA-O 3.46Å |
| 216 | M | 98 | Very high | 96 | Very high | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 125.5 | 172.2 | -177.5 | -178.1 | 67.1 | 0 | 0 | 109.9 | V136 L139 A159 P165 G166 N222 E223 | V136-M216 HydrophobicContact CG2-CE 3.66Å; V136-M216 HydrophobicContact CG2-SD 3.69Å; L139-M216 HydrophobicContact CB-CB 4.44Å; L139-M216 HydrophobicContact CB-SD 4.5Å; L139-M216 HydrophobicContact CD1-CB 4.45Å; L139-M216 HydrophobicContact CD2-CB 4.21Å; A159-M216 HydrophobicContact CB-SD 3.49Å; A159-M216 WeakPolarHBondContact CB-SD 3.49Å; P165-M216 HydrophobicContact CB-CG 3.93Å; P165-M216 HydrophobicContact CB-SD 4.06Å; G166-M216 CarbonylContact O-C 3.58Å; G166-M216 VanDerWaalsContact O-CA 3.27Å; G166-M216 WeakPolarHBondContact O-CA 3.2Å; M216-N222 VanDerWaalsContact O-CA 3.29Å; M216-N222 WeakPolarHBondContact O-CA 2.99Å; M216-E223 HydrophobicContact CB-CB 4.34Å; M216-E223 HydrophobicContact CE-CB 3.83Å; M216-E223 PolarHBondContact N-O 3.42Å; M216-E223 PolarHBondContact O-N 2.9Å |
| 217 | T | 98.1 | Very high | 96.2 | Very high | 76 Ų | 76 | 61.6 Ų | 61.6 | 47% | 0.466 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 121.3 | 176.4 | 59 | 0 | 0 | 0 | 0 | 110.4 | G166 N222 | G166-T217 WeakPolarHBondContact CA-OG1 3.48Å; G166-T217 PolarHBondContact N-O 3.38Å; G166-T217 PolarHBondContact O-N 2.77Å; G166-T217 PolarHBondContact O-OG1 2.84Å; T217-N222 WeakPolarHBondContact CA-OD1 3.49Å |
| 218 | H | 98.3 | Very high | 96.4 | Very high | 10 Ų | 10 | 63.6 Ų | 63.6 | 5% | 0.046 | 34% | 0.34 | C | S | . | . | trans | -151.1 | 146.7 | 178.4 | -174.7 | -93.1 | 0 | 0 | 0 | 110.7 | T135 V136 K162 P163 P165 V220 R221 N222 | T135-H218 PolarHBondContact O-CE1 3.01Å; T135-H218 VanDerWaalsContact O-CE1 3.23Å; T135-H218 PolarHBondContact O-NE2 3.29Å; V136-H218 HydrophobicContact CB-CB 4.42Å; V136-H218 HydrophobicContact CG2-CB 4Å; K162-H218 PolarHBondContact O-NE2 2.85Å; P163-H218 WeakPolarHBondContact CD-NE2 3.32Å; P163-H218 PolarHBondContact O-CD2 3.37Å; P163-H218 VanDerWaalsContact O-CD2 3.22Å; P163-H218 PolarHBondContact O-NE2 2.81Å; P165-H218 HydrophobicContact CB-CB 4.4Å; H218-V220 VanDerWaalsContact CE1-CG2 3.49Å; H218-V220 WeakPolarHBondContact CE1-CG2 3.36Å; H218-V220 WeakPolarHBondContact ND1-CB 3.28Å; H218-V220 PolarHBondContact ND1-N 2.91Å; H218-V220 VanDerWaalsContact ND1-N 3.18Å; H218-V220 PolarHBondContact O-N 2.93Å; H218-R221 WeakPolarHBondContact CB-O 3.39Å; H218-R221 PolarHBondContact N-O 2.7Å; H218-R221 CarbonylContact O-C 3.56Å; H218-R221 PolarHBondContact O-N 2.85Å; H218-N222 PolarHBondContact N-OD1 2.98Å; H218-N222 PolarHBondContact O-OD1 3Å | ||
| 219 | P | 97 | Very high | 96.4 | Very high | 99 Ų | 99 | 61.5 Ų | 61.5 | 64% | 0.643 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -56.4 | -22.8 | -178.3 | -27.8 | 35.5 | 0 | 0 | 0 | 115.6 | L134 P163 | L134-P219 HydrophobicContact CD1-CB 4.2Å; P163-P219 HydrophobicContact CG-CG 4.11Å |
| 220 | V | 96.8 | Very high | 96.1 | Very high | 48 Ų | 48 | 61.6 Ų | 61.6 | 29% | 0.291 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -87 | -43.1 | 179.4 | 177 | 0 | 0 | 0 | 0 | 112.6 | V36 L134 V136 H218 | V36-V220 HydrophobicContact CG1-CG1 3.85Å; V36-V220 HydrophobicContact CG2-CB 4.5Å; V36-V220 HydrophobicContact CG2-CG1 3.79Å; V36-V220 HydrophobicContact CG2-CG2 4.05Å; L134-V220 HydrophobicContact CB-CG2 3.45Å; L134-V220 VanDerWaalsContact CB-CG2 3.45Å; L134-V220 HydrophobicContact CD1-CG2 4.1Å; L134-V220 HydrophobicContact CG-CG2 4.44Å; V136-V220 HydrophobicContact CG1-CB 3.99Å; V136-V220 HydrophobicContact CG1-CG1 4.1Å; H218-V220 VanDerWaalsContact CE1-CG2 3.49Å; H218-V220 WeakPolarHBondContact CE1-CG2 3.36Å; H218-V220 WeakPolarHBondContact ND1-CB 3.28Å; H218-V220 PolarHBondContact ND1-N 2.91Å; H218-V220 VanDerWaalsContact ND1-N 3.18Å; H218-V220 PolarHBondContact O-N 2.93Å |
| 221 | R | 97.1 | Very high | 95.6 | Very high | 91 Ų | 91 | 60.1 Ų | 60.1 | 34% | 0.343 | 32% | 0.319 | S | S | . | . | trans | -156.9 | 134.2 | -173.3 | -175.5 | 172.9 | 75.2 | -108.6 | -1.8 | 109.4 | V136 S137 H218 E223 | V136-R221 HydrophobicContact CG1-CB 4.05Å; S137-R221 PolarHBondContact O-NH2 2.94Å; H218-R221 WeakPolarHBondContact CB-O 3.39Å; H218-R221 PolarHBondContact N-O 2.7Å; H218-R221 CarbonylContact O-C 3.56Å; H218-R221 PolarHBondContact O-N 2.85Å; R221-E223 IonicContact CZ-OE2 2.94Å; R221-E223 IonicContact NE-OE2 2.63Å; R221-E223 PolarHBondContact NE-OE2 2.88Å; R221-E223 IonicContact NH2-OE2 2.76Å; R221-E223 PolarHBondContact NH2-OE2 3.46Å | ||
| 222 | N | 97.4 | Very high | 94.4 | Very high | 120 Ų | 120 | 61 Ų | 61 | 64% | 0.642 | 32% | 0.323 | S | S | * | . | trans | -97.3 | 140.8 | 163.3 | -60.8 | -34.6 | 0 | 0 | 0 | 108.5 | M216 T217 H218 | M216-N222 VanDerWaalsContact O-CA 3.29Å; M216-N222 WeakPolarHBondContact O-CA 2.99Å; T217-N222 WeakPolarHBondContact CA-OD1 3.49Å; H218-N222 PolarHBondContact N-OD1 2.98Å; H218-N222 PolarHBondContact O-OD1 3Å | ||
| 223 | E | 97.6 | Very high | 92.3 | Very high | 45 Ų | 45 | 70 Ų | 70 | 21% | 0.21 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 136.8 | -175.5 | -167 | 174.7 | 137.3 | 0 | 0 | 109.5 | L139 S215 M216 R221 | L139-E223 PolarHBondContact N-OE1 2.86Å; L139-E223 VanDerWaalsContact N-OE1 3.15Å; S215-E223 CarbonylContact C-O 3.59Å; S215-E223 WeakPolarHBondContact CA-O 3.46Å; M216-E223 HydrophobicContact CB-CB 4.34Å; M216-E223 HydrophobicContact CE-CB 3.83Å; M216-E223 PolarHBondContact N-O 3.42Å; M216-E223 PolarHBondContact O-N 2.9Å; R221-E223 IonicContact CZ-OE2 2.94Å; R221-E223 IonicContact NE-OE2 2.63Å; R221-E223 PolarHBondContact NE-OE2 2.88Å; R221-E223 IonicContact NH2-OE2 2.76Å; R221-E223 PolarHBondContact NH2-OE2 3.46Å |
| 224 | E | 97.5 | Very high | 90.2 | Very high | 153 Ų | 153 | 70.6 Ų | 70.6 | 72% | 0.715 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120 | 136.9 | 175.1 | -61.6 | -170.6 | 154.3 | 0 | 0 | 109.1 | V213 V214 | V213-E224 HydrophobicContact CG1-CB 4.18Å; V214-E224 CarbonylContact O-C 3.56Å; V214-E224 WeakPolarHBondContact O-CA 3.46Å |
| 225 | K | 97.5 | Very high | 87.7 | Confident | 73 Ų | 73 | 73.7 Ų | 73.7 | 32% | 0.317 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 128 | -179 | -167.2 | 168.4 | -177.3 | -171.2 | 0 | 110.8 | L139 T141 V214 | L139-K225 HydrophobicContact CD2-CB 3.98Å; L139-K225 WeakPolarHBondContact O-CD 3.43Å; L139-K225 PolarHBondContact O-NZ 3.03Å; T141-K225 HydrophobicContact CG2-CD 3.86Å; T141-K225 HydrophobicContact CG2-CG 4.49Å; T141-K225 WeakPolarHBondContact OG1-CD 3.39Å; T141-K225 WeakPolarHBondContact OG1-CE 3.26Å; T141-K225 PolarHBondContact OG1-NZ 3.14Å; V214-K225 PolarHBondContact N-O 2.86Å; V214-K225 PolarHBondContact O-N 3.24Å |
| 226 | I | 97.1 | Very high | 85.4 | Confident | 103 Ų | 103 | 78.7 Ų | 78.7 | 53% | 0.528 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 125.8 | 178.6 | -57.6 | 177.7 | 0 | 0 | 0 | 108.6 | N211 L212 | N211-I226 HydrophobicContact CB-CG2 3.69Å; L212-I226 CarbonylContact O-C 3.56Å; L212-I226 WeakPolarHBondContact O-CA 3Å |
| 227 | V | 96.7 | Very high | 83 | Confident | 12 Ų | 12 | 83.5 Ų | 83.5 | 7% | 0.073 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 114.6 | 175.2 | 179.6 | 0 | 0 | 0 | 0 | 108.2 | T141 L143 L155 N211 L212 V214 | T141-V227 HydrophobicContact CG2-CG2 4.31Å; L143-V227 HydrophobicContact CB-CG1 4.28Å; L143-V227 HydrophobicContact CD2-CG1 4.25Å; L155-V227 HydrophobicContact CD1-CG1 4.01Å; L155-V227 HydrophobicContact CD1-CG2 4.13Å; L155-V227 HydrophobicContact CD2-CG2 4.35Å; N211-V227 CarbonylContact C-O 3.59Å; N211-V227 WeakPolarHBondContact CA-O 2.92Å; L212-V227 HydrophobicContact CB-CB 4.37Å; L212-V227 PolarHBondContact N-O 2.87Å; L212-V227 PolarHBondContact O-N 2.84Å; V214-V227 HydrophobicContact CG2-CG2 3.86Å |
| 228 | H | 94.4 | Very high | 81.2 | Confident | 133 Ų | 133 | 83.6 Ų | 83.6 | 62% | 0.616 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 127.9 | 178 | -63.1 | -66.2 | 0 | 0 | 0 | 110.6 | N211 | N211-H228 PolarHBondContact OD1-ND1 2.97Å |
| 229 | L | 92.4 | Very high | 79.8 | Confident | 15 Ų | 15 | 88 Ų | 88 | 8% | 0.079 | 50% | 0.497 | C | S | . | . | P | Polyproline II helix | trans | -82.3 | 144.4 | 175.6 | -64.7 | 176.3 | 0 | 0 | 0 | 110.3 | L143 I199 L201 A204 Q210 L212 V231 | L143-L229 HydrophobicContact CD2-CD2 4.41Å; I199-L229 HydrophobicContact CG2-CD2 4.3Å; L201-L229 HydrophobicContact CD2-CB 4.21Å; L201-L229 HydrophobicContact CD2-CD2 3.92Å; L201-L229 HydrophobicContact CD2-CG 4.45Å; A204-L229 HydrophobicContact CB-CD1 3.48Å; A204-L229 VanDerWaalsContact CB-CD1 3.48Å; Q210-L229 WeakPolarHBondContact O-CB 3.42Å; Q210-L229 PolarHBondContact O-N 2.9Å; L212-L229 HydrophobicContact CD1-CD2 3.75Å; L212-L229 HydrophobicContact CD2-CD1 4.12Å; L212-L229 HydrophobicContact CG-CD1 4.11Å; L212-L229 HydrophobicContact CG-CD2 3.84Å; L212-L229 HydrophobicContact CG-CG 4.07Å; L229-V231 PolarHBondContact O-N 2.77Å |
| 230 | P | 86.7 | Confident | 78.6 | Confident | 51 Ų | 51 | 86.7 Ų | 86.7 | 33% | 0.331 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 122.2 | 174.5 | 27.7 | -35.7 | 0 | 0 | 0 | 110.3 | L201 | L201-P230 HydrophobicContact CD1-CG 3.65Å; L201-P230 HydrophobicContact CD2-CG 3.99Å; L201-P230 HydrophobicContact CG-CG 4.48Å |
| 231 | V | 81.8 | Confident | 77.7 | Confident | 110 Ų | 110 | 89.2 Ų | 89.2 | 67% | 0.667 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -79.4 | 121.5 | 169.8 | 180 | 0 | 0 | 0 | 0 | 107 | L229 Q233 | L229-V231 PolarHBondContact O-N 2.77Å; V231-Q233 VanDerWaalsContact C-N 3.32Å; V231-Q233 PolarHBondContact O-N 2.84Å |
| 232 | N | 68.5 | Low | 76.9 | Confident | 83 Ų | 83 | 88.8 Ų | 88.8 | 44% | 0.444 | 51% | 0.506 | S | S | . | . | trans | -65.2 | 104.5 | 161.3 | -80.3 | 10.4 | 0 | 0 | 0 | 105.5 | R205 G234 | R205-N232 PolarHBondContact NH1-ND2 2.76Å; R205-N232 PolarHBondContact NH2-ND2 2.87Å; R205-N232 PolarHBondContact NH2-OD1 3.33Å; N232-G234 PolarHBondContact O-N 2.63Å | ||
| 233 | Q | 52.6 | Low | 76.3 | Confident | 189 Ų | 189 | 91.4 Ų | 91.4 | 88% | 0.883 | 51% | 0.507 | S | S | * | . | trans | -68.3 | 51.6 | 153 | -66.4 | -176.2 | 45.6 | 0 | 0 | 108.4 | V231 G235 | V231-Q233 VanDerWaalsContact C-N 3.32Å; V231-Q233 PolarHBondContact O-N 2.84Å; Q233-G235 PolarHBondContact O-N 3.36Å | ||
| 234 | G | 51.8 | Low | 75.8 | Confident | 50 Ų | 50 | 94.8 Ų | 94.8 | 52% | 0.515 | 52% | 0.524 | S | S | . | . | trans | -64.3 | 99.2 | 147.5 | 0 | 0 | 0 | 0 | 0 | 102.2 | N232 T236 | N232-G234 PolarHBondContact O-N 2.63Å; G234-T236 PolarHBondContact O-N 3.3Å | ||
| 235 | G | 46.1 | Very low | 75.4 | Confident | 65 Ų | 65 | 91.9 Ų | 91.9 | 67% | 0.67 | 51% | 0.512 | S | S | * | . | trans | -50 | 98.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 105.3 | Q233 T237 | Q233-G235 PolarHBondContact O-N 3.36Å; G235-T237 PolarHBondContact O-N 3.36Å | ||
| 236 | T | 49.4 | Very low | 75 | Confident | 126 Ų | 126 | 91.3 Ų | 91.3 | 77% | 0.773 | 52% | 0.515 | S | S | * | . | trans | -67.9 | 87.9 | 165.1 | 40.3 | 0 | 0 | 0 | 0 | 101.8 | G234 N238 | G234-T236 PolarHBondContact O-N 3.3Å; T236-N238 PolarHBondContact O-N 3.49Å | ||
| 237 | T | 48.7 | Very low | 74.7 | Confident | 101 Ų | 101 | 88.1 Ų | 88.1 | 62% | 0.62 | 50% | 0.504 | S | S | * | . | trans | -47 | 88.9 | 139.4 | 44 | 0 | 0 | 0 | 0 | 103.4 | G235 P239 | G235-T237 PolarHBondContact O-N 3.36Å; T237-P239 WeakPolarHBondContact O-CD 3.29Å | ||
| 238 | N | 60 | Low | 74.6 | Confident | 78 Ų | 78 | 91.9 Ų | 91.9 | 42% | 0.417 | 52% | 0.523 | S | S | . | . | trans | -52.3 | 115.6 | -179 | 171.7 | -5.1 | 0 | 0 | 0 | 103.6 | T236 C240 L241 N242 | T236-N238 PolarHBondContact O-N 3.49Å; N238-C240 CarbonylContact O-C 3.6Å; N238-C240 PolarHBondContact O-N 3.15Å; N238-C240 VanDerWaalsContact O-N 3.07Å; N238-C240 VanDerWaalsContact OD1-CB 3.25Å; N238-C240 WeakPolarHBondContact OD1-CB 3.35Å; N238-C240 PolarHBondContact OD1-N 2.96Å; N238-L241 HydrophobicContact CB-CB 3.72Å; N238-L241 CarbonylContact O-C 3.57Å; N238-L241 WeakPolarHBondContact O-CA 3.45Å; N238-L241 PolarHBondContact O-N 3.26Å; N238-N242 PolarHBondContact O-N 2.91Å | ||
| 239 | P | 68.3 | Low | 74.5 | Confident | 103 Ų | 103 | 88.2 Ų | 88.2 | 67% | 0.669 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -55 | -32.3 | -176.4 | -25.1 | 33.6 | 0 | 0 | 0 | 109.9 | T237 W243 | T237-P239 WeakPolarHBondContact O-CD 3.29Å; P239-W243 WeakPolarHBondContact O-CA 3.16Å; P239-W243 WeakPolarHBondContact O-CB 3.33Å; P239-W243 PolarHBondContact O-N 2.78Å |
| 240 | C | 71.8 | Confident | 74.6 | Confident | 72 Ų | 72 | 94.4 Ų | 94.4 | 49% | 0.486 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 170.5 | -68.8 | 0 | 0 | 0 | 0 | 112.8 | N238 W243 M244 | N238-C240 CarbonylContact O-C 3.6Å; N238-C240 PolarHBondContact O-N 3.15Å; N238-C240 VanDerWaalsContact O-N 3.07Å; N238-C240 VanDerWaalsContact OD1-CB 3.25Å; N238-C240 WeakPolarHBondContact OD1-CB 3.35Å; N238-C240 PolarHBondContact OD1-N 2.96Å; C240-W243 PolarHBondContact O-N 3.02Å; C240-M244 VanDerWaalsContact O-CB 3.23Å; C240-M244 WeakPolarHBondContact O-CB 3.27Å; C240-M244 WeakPolarHBondContact O-CG 3.41Å; C240-M244 PolarHBondContact O-N 3.46Å |
| 241 | L | 78.4 | Confident | 75 | Confident | 100 Ų | 100 | 96.5 Ų | 96.5 | 52% | 0.524 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 177.2 | -170.5 | 72.7 | 0 | 0 | 0 | 111.1 | N238 M244 I245 | N238-L241 HydrophobicContact CB-CB 3.72Å; N238-L241 CarbonylContact O-C 3.57Å; N238-L241 WeakPolarHBondContact O-CA 3.45Å; N238-L241 PolarHBondContact O-N 3.26Å; L241-M244 PolarHBondContact O-N 3.02Å; L241-I245 HydrophobicContact CD2-CD1 4.45Å; L241-I245 HydrophobicContact CG-CD1 3.99Å; L241-I245 WeakPolarHBondContact O-CB 3.16Å; L241-I245 WeakPolarHBondContact O-CD1 3.47Å; L241-I245 WeakPolarHBondContact O-CG1 3.47Å; L241-I245 PolarHBondContact O-N 2.82Å |
| 242 | N | 79.2 | Confident | 75.7 | Confident | 83 Ų | 83 | 96 Ų | 96 | 44% | 0.444 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -70.2 | -36.2 | 178.2 | -133.6 | 24.8 | 0 | 0 | 0 | 111.4 | N238 I245 T246 | N238-N242 PolarHBondContact O-N 2.91Å; N242-I245 PolarHBondContact O-N 3.39Å; N242-T246 WeakPolarHBondContact O-CB 3.49Å; N242-T246 WeakPolarHBondContact O-CG2 3.2Å; N242-T246 PolarHBondContact O-N 3.24Å; N242-T246 PolarHBondContact O-OG1 3.34Å |
| 243 | W | 85.1 | Confident | 77 | Confident | 174 Ų | 174 | 97.7 Ų | 97.7 | 66% | 0.659 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -67 | -38 | 171.9 | -173.2 | 30.9 | 0 | 0 | 0 | 111.8 | P239 C240 T246 A247 | P239-W243 WeakPolarHBondContact O-CA 3.16Å; P239-W243 WeakPolarHBondContact O-CB 3.33Å; P239-W243 PolarHBondContact O-N 2.78Å; C240-W243 PolarHBondContact O-N 3.02Å; W243-T246 WeakPolarHBondContact CA-OG1 3.14Å; W243-T246 PolarHBondContact O-N 3.15Å; W243-T246 PolarHBondContact O-OG1 2.76Å; W243-A247 WeakPolarHBondContact O-CB 3.23Å; W243-A247 PolarHBondContact O-N 2.85Å |
| 244 | M | 87.2 | Confident | 79 | Confident | 116 Ų | 116 | 94.7 Ų | 94.7 | 57% | 0.571 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.6 | -45.5 | 173.1 | -77 | -171.5 | 85 | 0 | 0 | 111 | C240 L241 T246 A247 I248 | C240-M244 VanDerWaalsContact O-CB 3.23Å; C240-M244 WeakPolarHBondContact O-CB 3.27Å; C240-M244 WeakPolarHBondContact O-CG 3.41Å; C240-M244 PolarHBondContact O-N 3.46Å; L241-M244 PolarHBondContact O-N 3.02Å; M244-T246 PolarHBondContact O-N 3.22Å; M244-A247 PolarHBondContact O-N 2.8Å; M244-I248 VanDerWaalsContact O-CB 3.32Å; M244-I248 WeakPolarHBondContact O-CB 3.3Å; M244-I248 WeakPolarHBondContact O-CD1 3.49Å; M244-I248 WeakPolarHBondContact O-CG1 3.47Å; M244-I248 PolarHBondContact O-N 3.13Å |
| 245 | I | 88.9 | Confident | 81.1 | Confident | 92 Ų | 92 | 98.5 Ų | 98.5 | 47% | 0.472 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 176.7 | -69.3 | 163.6 | 0 | 0 | 0 | 110.4 | L241 N242 I248 A249 | L241-I245 HydrophobicContact CD2-CD1 4.45Å; L241-I245 HydrophobicContact CG-CD1 3.99Å; L241-I245 WeakPolarHBondContact O-CB 3.16Å; L241-I245 WeakPolarHBondContact O-CD1 3.47Å; L241-I245 WeakPolarHBondContact O-CG1 3.47Å; L241-I245 PolarHBondContact O-N 2.82Å; N242-I245 PolarHBondContact O-N 3.39Å; I245-I248 PolarHBondContact O-N 3.31Å; I245-A249 WeakPolarHBondContact O-CB 3.37Å; I245-A249 PolarHBondContact O-N 3.3Å |
| 246 | T | 89.2 | Confident | 83.4 | Confident | 61 Ų | 61 | 99 Ų | 99 | 37% | 0.374 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.7 | -43.1 | 177.5 | 48.2 | 0 | 0 | 0 | 0 | 112 | N242 W243 M244 I248 A249 F250 | N242-T246 WeakPolarHBondContact O-CB 3.49Å; N242-T246 WeakPolarHBondContact O-CG2 3.2Å; N242-T246 PolarHBondContact O-N 3.24Å; N242-T246 PolarHBondContact O-OG1 3.34Å; W243-T246 WeakPolarHBondContact CA-OG1 3.14Å; W243-T246 PolarHBondContact O-N 3.15Å; W243-T246 PolarHBondContact O-OG1 2.76Å; M244-T246 PolarHBondContact O-N 3.22Å; T246-I248 PolarHBondContact O-N 2.99Å; T246-A249 WeakPolarHBondContact O-CB 3.28Å; T246-A249 PolarHBondContact O-N 3.05Å; T246-F250 WeakPolarHBondContact O-CD2 3.42Å; T246-F250 PolarHBondContact O-N 2.86Å |
| 247 | A | 91.8 | Very high | 85.6 | Confident | 36 Ų | 36 | 95.8 Ų | 95.8 | 30% | 0.298 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | W243 M244 A249 F250 I251 | W243-A247 WeakPolarHBondContact O-CB 3.23Å; W243-A247 PolarHBondContact O-N 2.85Å; M244-A247 PolarHBondContact O-N 2.8Å; A247-A249 VanDerWaalsContact C-N 3.32Å; A247-A249 PolarHBondContact O-N 2.81Å; A247-F250 PolarHBondContact O-N 2.66Å; A247-I251 VanDerWaalsContact O-CG1 3.25Å; A247-I251 WeakPolarHBondContact O-CG1 3.45Å; A247-I251 PolarHBondContact O-N 3.06Å |
| 248 | I | 93.2 | Very high | 87.7 | Confident | 92 Ų | 92 | 93.3 Ų | 93.3 | 47% | 0.472 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 175.1 | -69 | 164.4 | 0 | 0 | 0 | 110.3 | M244 I245 T246 F250 I251 I252 | M244-I248 VanDerWaalsContact O-CB 3.32Å; M244-I248 WeakPolarHBondContact O-CB 3.3Å; M244-I248 WeakPolarHBondContact O-CD1 3.49Å; M244-I248 WeakPolarHBondContact O-CG1 3.47Å; M244-I248 PolarHBondContact O-N 3.13Å; I245-I248 PolarHBondContact O-N 3.31Å; T246-I248 PolarHBondContact O-N 2.99Å; I248-F250 PolarHBondContact O-N 2.89Å; I248-I251 PolarHBondContact O-N 2.82Å; I248-I252 HydrophobicContact CG2-CD1 3.8Å; I248-I252 HydrophobicContact CG2-CG1 4.49Å; I248-I252 VanDerWaalsContact O-CG1 3.28Å; I248-I252 WeakPolarHBondContact O-CG1 3.22Å; I248-I252 PolarHBondContact O-N 2.7Å |
| 249 | A | 93.6 | Very high | 89.4 | Confident | 56 Ų | 56 | 95 Ų | 95 | 46% | 0.463 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I245 T246 A247 I252 L253 | I245-A249 WeakPolarHBondContact O-CB 3.37Å; I245-A249 PolarHBondContact O-N 3.3Å; T246-A249 WeakPolarHBondContact O-CB 3.28Å; T246-A249 PolarHBondContact O-N 3.05Å; A247-A249 VanDerWaalsContact C-N 3.32Å; A247-A249 PolarHBondContact O-N 2.81Å; A249-I252 PolarHBondContact O-N 2.96Å; A249-L253 WeakPolarHBondContact O-CB 3.48Å; A249-L253 PolarHBondContact O-N 2.72Å |
| 250 | F | 94.6 | Very high | 90.6 | Very high | 145 Ų | 145 | 94.7 Ų | 94.7 | 64% | 0.636 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.3 | -40.9 | 176.1 | -80.9 | -66.5 | 0 | 0 | 0 | 112.6 | T246 A247 I248 L253 F254 | T246-F250 WeakPolarHBondContact O-CD2 3.42Å; T246-F250 PolarHBondContact O-N 2.86Å; A247-F250 PolarHBondContact O-N 2.66Å; I248-F250 PolarHBondContact O-N 2.89Å; F250-L253 PolarHBondContact O-N 2.01Å; F250-F254 WeakPolarHBondContact O-CB 3.45Å; F250-F254 PolarHBondContact O-N 2.86Å |
| 251 | I | 95.3 | Very high | 91.6 | Very high | 95 Ų | 95 | 94.5 Ų | 94.5 | 49% | 0.487 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62 | -47.2 | 176.6 | -69.8 | 166.5 | 0 | 0 | 0 | 110.1 | A247 I248 L253 F254 F255 | A247-I251 VanDerWaalsContact O-CG1 3.25Å; A247-I251 WeakPolarHBondContact O-CG1 3.45Å; A247-I251 PolarHBondContact O-N 3.06Å; I248-I251 PolarHBondContact O-N 2.82Å; I251-L253 VanDerWaalsContact C-N 3.34Å; I251-L253 PolarHBondContact O-N 2.62Å; I251-F254 PolarHBondContact O-N 2.78Å; I251-F255 HydrophobicContact CG2-CD2 3.73Å; I251-F255 HydrophobicContact CG2-CE2 3.47Å; I251-F255 VanDerWaalsContact CG2-CE2 3.47Å; I251-F255 WeakPolarHBondContact O-CD2 3.46Å; I251-F255 PolarHBondContact O-N 3.04Å |
| 252 | I | 95.4 | Very high | 92.3 | Very high | 100 Ų | 100 | 92 Ų | 92 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 177.4 | -67.4 | 167 | 0 | 0 | 0 | 110.5 | I248 A249 F254 F255 V256 | I248-I252 HydrophobicContact CG2-CD1 3.8Å; I248-I252 HydrophobicContact CG2-CG1 4.49Å; I248-I252 VanDerWaalsContact O-CG1 3.28Å; I248-I252 WeakPolarHBondContact O-CG1 3.22Å; I248-I252 PolarHBondContact O-N 2.7Å; A249-I252 PolarHBondContact O-N 2.96Å; I252-F254 VanDerWaalsContact C-N 3.32Å; I252-F254 PolarHBondContact O-N 2.87Å; I252-F255 PolarHBondContact O-N 3.24Å; I252-V256 HydrophobicContact CG2-CG2 4.45Å; I252-V256 VanDerWaalsContact O-CG2 3.32Å; I252-V256 WeakPolarHBondContact O-CG2 2.84Å; I252-V256 PolarHBondContact O-N 2.84Å |
| 253 | L | 95.5 | Very high | 93 | Very high | 117 Ų | 117 | 92.4 Ų | 92.4 | 61% | 0.613 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.6 | -39.9 | 179.6 | -162.2 | 78.4 | 0 | 0 | 0 | 112.1 | A249 F250 I251 V256 S257 | A249-L253 WeakPolarHBondContact O-CB 3.48Å; A249-L253 PolarHBondContact O-N 2.72Å; F250-L253 PolarHBondContact O-N 2.01Å; I251-L253 VanDerWaalsContact C-N 3.34Å; I251-L253 PolarHBondContact O-N 2.62Å; L253-V256 PolarHBondContact O-N 2.74Å; L253-S257 WeakPolarHBondContact O-CB 3.29Å; L253-S257 PolarHBondContact O-N 3.25Å |
| 254 | F | 95.4 | Very high | 93.3 | Very high | 127 Ų | 127 | 88.3 Ų | 88.3 | 56% | 0.557 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.7 | -50.1 | 175.9 | 178.4 | -101 | 0 | 0 | 0 | 111.1 | F250 I251 I252 V256 S257 C258 | F250-F254 WeakPolarHBondContact O-CB 3.45Å; F250-F254 PolarHBondContact O-N 2.86Å; I251-F254 PolarHBondContact O-N 2.78Å; I252-F254 VanDerWaalsContact C-N 3.32Å; I252-F254 PolarHBondContact O-N 2.87Å; F254-V256 VanDerWaalsContact C-N 3.35Å; F254-V256 PolarHBondContact O-N 3.32Å; F254-S257 PolarHBondContact O-N 3.1Å; F254-S257 VanDerWaalsContact O-N 3.14Å; F254-S257 PolarHBondContact O-OG 2.85Å; F254-C258 PolarHBondContact O-N 3.39Å; F254-C258 PolarHBondContact O-SG 2.06Å; F254-C258 VanDerWaalsContact O-SG 3.36Å |
| 255 | F | 95 | Very high | 93.5 | Very high | 130 Ų | 130 | 89.8 Ų | 89.8 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.5 | -43.6 | 176.8 | -78.4 | -66.4 | 0 | 0 | 0 | 112.3 | I251 I252 S257 C258 I259 | I251-F255 HydrophobicContact CG2-CD2 3.73Å; I251-F255 HydrophobicContact CG2-CE2 3.47Å; I251-F255 VanDerWaalsContact CG2-CE2 3.47Å; I251-F255 WeakPolarHBondContact O-CD2 3.46Å; I251-F255 PolarHBondContact O-N 3.04Å; I252-F255 PolarHBondContact O-N 3.24Å; F255-S257 VanDerWaalsContact C-N 3.32Å; F255-S257 PolarHBondContact O-N 2.88Å; F255-C258 PolarHBondContact O-N 2.87Å; F255-I259 WeakPolarHBondContact O-CG1 3.36Å; F255-I259 PolarHBondContact O-N 2.75Å |
| 256 | V | 95.8 | Very high | 93.5 | Very high | 74 Ų | 74 | 90.9 Ų | 90.9 | 45% | 0.448 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 176.2 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | I252 L253 F254 I259 I260 | I252-V256 HydrophobicContact CG2-CG2 4.45Å; I252-V256 VanDerWaalsContact O-CG2 3.32Å; I252-V256 WeakPolarHBondContact O-CG2 2.84Å; I252-V256 PolarHBondContact O-N 2.84Å; L253-V256 PolarHBondContact O-N 2.74Å; F254-V256 VanDerWaalsContact C-N 3.35Å; F254-V256 PolarHBondContact O-N 3.32Å; V256-I259 PolarHBondContact O-N 3.07Å; V256-I260 HydrophobicContact CG1-CD1 3.89Å; V256-I260 VanDerWaalsContact O-CG1 3.31Å; V256-I260 WeakPolarHBondContact O-CG1 3.35Å; V256-I260 PolarHBondContact O-N 2.7Å |
| 257 | S | 94.7 | Very high | 93.5 | Very high | 60 Ų | 60 | 94.8 Ų | 94.8 | 42% | 0.42 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.2 | -37.4 | 177.4 | 83.8 | 0 | 0 | 0 | 0 | 113.1 | L253 F254 F255 I260 S261 | L253-S257 WeakPolarHBondContact O-CB 3.29Å; L253-S257 PolarHBondContact O-N 3.25Å; F254-S257 PolarHBondContact O-N 3.1Å; F254-S257 VanDerWaalsContact O-N 3.14Å; F254-S257 PolarHBondContact O-OG 2.85Å; F255-S257 VanDerWaalsContact C-N 3.32Å; F255-S257 PolarHBondContact O-N 2.88Å; S257-I260 PolarHBondContact O-N 2.66Å; S257-S261 WeakPolarHBondContact O-CB 3.48Å; S257-S261 PolarHBondContact O-N 2.78Å; S257-S261 PolarHBondContact O-OG 2.73Å |
| 258 | C | 93.9 | Very high | 93.1 | Very high | 48 Ų | 48 | 99.2 Ų | 99.2 | 32% | 0.324 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 174.9 | -71 | 0 | 0 | 0 | 0 | 111.1 | F254 F255 S261 A262 | F254-C258 PolarHBondContact O-N 3.39Å; F254-C258 PolarHBondContact O-SG 2.06Å; F254-C258 VanDerWaalsContact O-SG 3.36Å; F255-C258 PolarHBondContact O-N 2.87Å; C258-S261 WeakPolarHBondContact CA-OG 3.39Å; C258-S261 PolarHBondContact O-OG 3.17Å; C258-A262 WeakPolarHBondContact O-CB 3.45Å; C258-A262 PolarHBondContact O-N 2.72Å |
| 259 | I | 94.8 | Very high | 92.7 | Very high | 114 Ų | 114 | 98.7 Ų | 98.7 | 59% | 0.585 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65 | -44.3 | 176.2 | -64.9 | -62.7 | 0 | 0 | 0 | 110.9 | F255 V256 A262 V263 | F255-I259 WeakPolarHBondContact O-CG1 3.36Å; F255-I259 PolarHBondContact O-N 2.75Å; V256-I259 PolarHBondContact O-N 3.07Å; I259-A262 PolarHBondContact O-N 2.72Å; I259-V263 VanDerWaalsContact O-CG2 3.31Å; I259-V263 WeakPolarHBondContact O-CG2 3.25Å; I259-V263 PolarHBondContact O-N 2.86Å |
| 260 | I | 94.5 | Very high | 92.1 | Very high | 96 Ų | 96 | 103 Ų | 103 | 49% | 0.492 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 178.3 | -67.2 | 166.3 | 0 | 0 | 0 | 111.1 | V256 S257 A262 V263 L264 | V256-I260 HydrophobicContact CG1-CD1 3.89Å; V256-I260 VanDerWaalsContact O-CG1 3.31Å; V256-I260 WeakPolarHBondContact O-CG1 3.35Å; V256-I260 PolarHBondContact O-N 2.7Å; S257-I260 PolarHBondContact O-N 2.66Å; I260-A262 PolarHBondContact O-N 3Å; I260-V263 PolarHBondContact O-N 3.32Å; I260-L264 HydrophobicContact CG2-CD1 4.03Å; I260-L264 HydrophobicContact CG2-CG 4.42Å; I260-L264 WeakPolarHBondContact O-CG 3.35Å; I260-L264 PolarHBondContact O-N 3.21Å |
| 261 | S | 92 | Very high | 91.4 | Very high | 68 Ų | 68 | 100.7 Ų | 100.7 | 48% | 0.476 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.9 | -37.4 | 179.4 | 57.9 | 0 | 0 | 0 | 0 | 112.5 | S257 C258 L264 Y265 | S257-S261 WeakPolarHBondContact O-CB 3.48Å; S257-S261 PolarHBondContact O-N 2.78Å; S257-S261 PolarHBondContact O-OG 2.73Å; C258-S261 WeakPolarHBondContact CA-OG 3.39Å; C258-S261 PolarHBondContact O-OG 3.17Å; S261-L264 PolarHBondContact O-N 3.36Å; S261-Y265 VanDerWaalsContact O-CB 3.29Å; S261-Y265 WeakPolarHBondContact O-CB 3.25Å; S261-Y265 PolarHBondContact O-N 3.15Å |
| 262 | A | 93.2 | Very high | 90.3 | Very high | 48 Ų | 48 | 105.3 Ų | 105.3 | 40% | 0.397 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | C258 I259 I260 Y265 I266 | C258-A262 WeakPolarHBondContact O-CB 3.45Å; C258-A262 PolarHBondContact O-N 2.72Å; I259-A262 PolarHBondContact O-N 2.72Å; I260-A262 PolarHBondContact O-N 3Å; A262-Y265 PolarHBondContact O-N 2.67Å; A262-I266 VanDerWaalsContact O-CG1 3.29Å; A262-I266 WeakPolarHBondContact O-CG1 3.31Å; A262-I266 PolarHBondContact O-N 3.09Å |
| 263 | V | 93.3 | Very high | 88.9 | Confident | 91 Ų | 91 | 105 Ų | 105 | 55% | 0.552 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64 | -44.6 | 176.3 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | I259 I260 Y265 I266 Y267 | I259-V263 VanDerWaalsContact O-CG2 3.31Å; I259-V263 WeakPolarHBondContact O-CG2 3.25Å; I259-V263 PolarHBondContact O-N 2.86Å; I260-V263 PolarHBondContact O-N 3.32Å; V263-Y265 VanDerWaalsContact C-N 3.34Å; V263-Y265 PolarHBondContact O-N 3.23Å; V263-I266 PolarHBondContact O-N 3.32Å; V263-Y267 WeakPolarHBondContact O-CB 3.31Å; V263-Y267 PolarHBondContact O-N 3.44Å |
| 264 | L | 91.5 | Very high | 87.6 | Confident | 88 Ų | 88 | 106.9 Ų | 106.9 | 46% | 0.461 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 175.7 | -72.2 | 173.9 | 0 | 0 | 0 | 111.4 | I260 S261 I266 Y267 F268 | I260-L264 HydrophobicContact CG2-CD1 4.03Å; I260-L264 HydrophobicContact CG2-CG 4.42Å; I260-L264 WeakPolarHBondContact O-CG 3.35Å; I260-L264 PolarHBondContact O-N 3.21Å; S261-L264 PolarHBondContact O-N 3.36Å; L264-I266 PolarHBondContact O-N 3.47Å; L264-Y267 WeakPolarHBondContact O-CB 3.48Å; L264-Y267 PolarHBondContact O-N 3.2Å; L264-F268 WeakPolarHBondContact O-CD2 3.46Å; L264-F268 PolarHBondContact O-N 3.5Å |
| 265 | Y | 91.9 | Very high | 85.9 | Confident | 147 Ų | 147 | 108 Ų | 108 | 58% | 0.576 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.3 | -45.7 | 176.8 | 179.5 | -97.3 | 0 | 0 | 0 | 111.8 | S261 A262 V263 Y267 F268 Q269 | S261-Y265 VanDerWaalsContact O-CB 3.29Å; S261-Y265 WeakPolarHBondContact O-CB 3.25Å; S261-Y265 PolarHBondContact O-N 3.15Å; A262-Y265 PolarHBondContact O-N 2.67Å; V263-Y265 VanDerWaalsContact C-N 3.34Å; V263-Y265 PolarHBondContact O-N 3.23Å; Y265-Y267 VanDerWaalsContact C-N 3.34Å; Y265-Y267 PolarHBondContact O-N 3.07Å; Y265-F268 PolarHBondContact O-N 3.32Å; Y265-Q269 HydrophobicContact CD1-CG 4.3Å; Y265-Q269 HydrophobicContact CE1-CG 3.86Å; Y265-Q269 HydrophobicContact CE2-CG 4.43Å; Y265-Q269 WeakPolarHBondContact O-CB 3.36Å; Y265-Q269 WeakPolarHBondContact O-CG 3.38Å; Y265-Q269 PolarHBondContact O-N 3.44Å; Y265-Q269 PolarHBondContact OH-NE2 2.64Å; Y265-Q269 VanDerWaalsContact OH-NE2 3.08Å |
| 266 | I | 89.8 | Confident | 84.1 | Confident | 116 Ų | 116 | 107.5 Ų | 107.5 | 60% | 0.595 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62 | -42.3 | 175.3 | -67.4 | 166.1 | 0 | 0 | 0 | 110.8 | A262 V263 L264 Q269 K270 | A262-I266 VanDerWaalsContact O-CG1 3.29Å; A262-I266 WeakPolarHBondContact O-CG1 3.31Å; A262-I266 PolarHBondContact O-N 3.09Å; V263-I266 PolarHBondContact O-N 3.32Å; L264-I266 PolarHBondContact O-N 3.47Å; I266-Q269 PolarHBondContact O-N 3.5Å; I266-K270 PolarHBondContact O-N 3.49Å |
| 267 | Y | 88.8 | Confident | 82 | Confident | 142 Ų | 142 | 109.2 Ų | 109.2 | 56% | 0.557 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.9 | -44.8 | 177.1 | 178.7 | -102 | 0 | 0 | 0 | 112.4 | V263 L264 Y265 K270 K271 | V263-Y267 WeakPolarHBondContact O-CB 3.31Å; V263-Y267 PolarHBondContact O-N 3.44Å; L264-Y267 WeakPolarHBondContact O-CB 3.48Å; L264-Y267 PolarHBondContact O-N 3.2Å; Y265-Y267 VanDerWaalsContact C-N 3.34Å; Y265-Y267 PolarHBondContact O-N 3.07Å; Y267-K270 PolarHBondContact O-N 3.05Å; Y267-K271 PolarHBondContact O-N 2.86Å |
| 268 | F | 83.9 | Confident | 79.7 | Confident | 130 Ų | 130 | 116.2 Ų | 116.2 | 57% | 0.57 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66 | -40.1 | 177 | -84.7 | -68.6 | 0 | 0 | 0 | 112.4 | L264 Y265 K271 R272 | L264-F268 WeakPolarHBondContact O-CD2 3.46Å; L264-F268 PolarHBondContact O-N 3.5Å; Y265-F268 PolarHBondContact O-N 3.32Å; F268-K271 PolarHBondContact O-N 3.34Å; F268-R272 WeakPolarHBondContact O-CB 3.46Å; F268-R272 PolarHBondContact O-N 3.05Å |
| 269 | Q | 82.9 | Confident | 77.2 | Confident | 81 Ų | 81 | 120 Ų | 120 | 38% | 0.379 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -59.2 | -47.1 | 173.4 | -81.2 | -81.3 | 35.7 | 0 | 0 | 111.2 | Y265 I266 K271 R272 S273 | Y265-Q269 HydrophobicContact CD1-CG 4.3Å; Y265-Q269 HydrophobicContact CE1-CG 3.86Å; Y265-Q269 HydrophobicContact CE2-CG 4.43Å; Y265-Q269 WeakPolarHBondContact O-CB 3.36Å; Y265-Q269 WeakPolarHBondContact O-CG 3.38Å; Y265-Q269 PolarHBondContact O-N 3.44Å; Y265-Q269 PolarHBondContact OH-NE2 2.64Å; Y265-Q269 VanDerWaalsContact OH-NE2 3.08Å; I266-Q269 PolarHBondContact O-N 3.5Å; Q269-K271 VanDerWaalsContact C-N 3.34Å; Q269-K271 PolarHBondContact O-N 3.37Å; Q269-R272 WeakPolarHBondContact O-CB 3.36Å; Q269-R272 PolarHBondContact O-N 3.34Å; Q269-R272 VanDerWaalsContact O-N 3.12Å; Q269-S273 PolarHBondContact O-N 2.68Å; Q269-S273 VanDerWaalsContact O-N 3.15Å |
| 270 | K | 82.5 | Confident | 74.5 | Confident | 147 Ų | 147 | 120.2 Ų | 120.2 | 64% | 0.639 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -59.1 | -44.4 | 176.9 | -173.7 | 174.5 | 179.8 | 178.8 | 0 | 112 | I266 Y267 R272 S273 E274 | I266-K270 PolarHBondContact O-N 3.49Å; Y267-K270 PolarHBondContact O-N 3.05Å; K270-R272 VanDerWaalsContact C-N 3.28Å; K270-R272 PolarHBondContact O-N 2.79Å; K270-S273 PolarHBondContact O-N 2.84Å; K270-E274 PolarHBondContact O-N 2.79Å |
| 271 | K | 78.6 | Confident | 71.9 | Confident | 96 Ų | 96 | 120.8 Ų | 120.8 | 42% | 0.417 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.2 | -30.7 | 177.5 | -170.8 | 173.9 | -176.9 | 175.4 | 0 | 112.9 | Y267 F268 Q269 | Y267-K271 PolarHBondContact O-N 2.86Å; F268-K271 PolarHBondContact O-N 3.34Å; Q269-K271 VanDerWaalsContact C-N 3.34Å; Q269-K271 PolarHBondContact O-N 3.37Å |
| 272 | R | 72 | Confident | 69.2 | Low | 191 Ų | 191 | 123.1 Ų | 123.1 | 72% | 0.721 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -71.2 | -38.9 | 177.6 | -167.1 | 177.2 | -172.4 | 177.7 | 2.4 | 111.7 | F268 Q269 K270 E274 K275 | F268-R272 WeakPolarHBondContact O-CB 3.46Å; F268-R272 PolarHBondContact O-N 3.05Å; Q269-R272 WeakPolarHBondContact O-CB 3.36Å; Q269-R272 PolarHBondContact O-N 3.34Å; Q269-R272 VanDerWaalsContact O-N 3.12Å; K270-R272 VanDerWaalsContact C-N 3.28Å; K270-R272 PolarHBondContact O-N 2.79Å; R272-E274 VanDerWaalsContact C-N 3.31Å; R272-E274 PolarHBondContact O-N 2.85Å; R272-K275 PolarHBondContact O-N 2.81Å |
| 273 | S | 67.8 | Low | 66.4 | Low | 93 Ų | 93 | 129.6 Ų | 129.6 | 65% | 0.65 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -65.8 | -29.2 | 177.2 | -65.7 | 0 | 0 | 0 | 0 | 113.6 | Q269 K270 K275 | Q269-S273 PolarHBondContact O-N 2.68Å; Q269-S273 VanDerWaalsContact O-N 3.15Å; K270-S273 PolarHBondContact O-N 2.84Å; S273-K275 VanDerWaalsContact C-N 3.33Å |
| 274 | E | 68 | Low | 63.7 | Low | 157 Ų | 157 | 132 Ų | 132 | 73% | 0.734 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -74.4 | -21.2 | 175 | -80.9 | 178.7 | 171.5 | 0 | 0 | 113.8 | K270 R272 | K270-E274 PolarHBondContact O-N 2.79Å; R272-E274 VanDerWaalsContact C-N 3.31Å; R272-E274 PolarHBondContact O-N 2.85Å |
| 275 | K | 58.4 | Low | 61.3 | Low | 152 Ų | 152 | 132.4 Ų | 132.4 | 66% | 0.661 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | 6.2 | -173.3 | -77.8 | -165.9 | 176.4 | -165 | 0 | 115.1 | R272 S273 P277 | R272-K275 PolarHBondContact O-N 2.81Å; S273-K275 VanDerWaalsContact C-N 3.33Å; K275-P277 WeakPolarHBondContact O-CD 3.12Å |
| 276 | V | 57.2 | Low | 58.7 | Low | 118 Ų | 118 | 137 Ų | 137 | 72% | 0.715 | 69% | 0.692 | S | S | * | * | trans | -75.7 | 107.6 | 176.2 | -177.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 277 | P | 52.8 | Low | 55.8 | Low | 111 Ų | 111 | 141 Ų | 141 | 72% | 0.721 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 143.1 | 177.6 | -6.9 | 28.8 | 0 | 0 | 0 | 109.6 | K275 | K275-P277 WeakPolarHBondContact O-CD 3.12Š|
| 278 | K | 45.9 | Very low | 53.4 | Low | 207 Ų | 207 | 141 Ų | 141 | 90% | 0.9 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -58 | 136.7 | -177.9 | -131 | 171.4 | -171.7 | 172.3 | 0 | 111.2 | ||
| 279 | P | 42.6 | Very low | 51.1 | Low | 127 Ų | 127 | 139.7 Ų | 139.7 | 83% | 0.825 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 140.5 | -173 | 3.5 | 13.3 | 0 | 0 | 0 | 111.9 | ||
| 280 | S | 38.1 | Very low | 48.8 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 153.8 | 166.2 | -137 | 0 | 0 | 0 | 0 | 110.2 | ||
| 281 | P | 39.9 | Very low | 46.7 | Very low | 108 Ų | 108 | 142.9 Ų | 142.9 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 142.6 | -149.5 | 34.3 | -33.8 | 0 | 0 | 0 | 116.3 | ||
| 282 | T | 33.9 | Very low | 45 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | 55.1 | 110.1 | 129.5 | -43.5 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 283 | Q | 34.1 | Very low | 43.8 | Very low | 183 Ų | 183 | 142.4 Ų | 142.4 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | -174.6 | 109.4 | 116 | -99.4 | 177.3 | -16.4 | 0 | 0 | 107.5 | |||||
| 284 | D | 36.7 | Very low | 42.7 | Very low | 142 Ų | 142 | 143.4 Ų | 143.4 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | 70.2 | 151 | 78.6 | -94.2 | -12.7 | 0 | 0 | 0 | 115.1 | |||||
| 285 | P | 42.1 | Very low | 42 | Very low | 96 Ų | 96 | 141.6 Ų | 141.6 | 62% | 0.623 | 78% | 0.782 | S | S | * | * | -135.7 | 148.1 | -69.8 | 30.7 | -10.5 | 0 | 0 | 0 | 112.4 | |||||
| 286 | Y | 36.2 | Very low | 41.8 | Very low | 245 Ų | 245 | 139.9 Ų | 139.9 | 96% | 0.961 | 79% | 0.787 | S | S | * | * | trans | -137.3 | 125.2 | 148.7 | -99 | -80.9 | 0 | 0 | 0 | 111.4 | ||||
| 287 | K | 29.2 | Very low | 41.2 | Very low | 198 Ų | 198 | 138.1 Ų | 138.1 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | trans | -101.5 | 118.8 | -171 | -175.3 | -173.7 | -168.2 | -178.8 | 0 | 106.6 | ||||
| 288 | T | 39.2 | Very low | 41.3 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 87% | 0.871 | 78% | 0.775 | S | S | * | * | trans | -132.5 | 129.2 | 159.7 | -56.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 289 | S | 35.2 | Very low | 41.8 | Very low | 104 Ų | 104 | 135.2 Ų | 135.2 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -51.3 | 130.7 | -167.1 | -159 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 290 | T | 33.8 | Very low | 42.4 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 77% | 0.767 | 75% | 0.749 | S | S | * | * | trans | 0.9 | 118.7 | 132.1 | -44.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 291 | L | 39.8 | Very low | 43.3 | Very low | 170 Ų | 170 | 133.2 Ų | 133.2 | 89% | 0.89 | 74% | 0.741 | S | S | * | * | trans | -110.8 | 123.2 | 152.8 | -160.8 | 84.4 | 0 | 0 | 0 | 107.8 | ||||
| 292 | M | 42.1 | Very low | 44.2 | Very low | 167 Ų | 167 | 133.3 Ų | 133.3 | 82% | 0.823 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 137.7 | 177.9 | -171.8 | 170.1 | 174.4 | 0 | 0 | 110 | ||
| 293 | P | 46.5 | Very low | 45.6 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 71% | 0.708 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 148.4 | 177.4 | 12.2 | -0.4 | 0 | 0 | 0 | 112.2 | ||
| 294 | P | 45.9 | Very low | 46.9 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 75% | 0.747 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 159.3 | -179.5 | 32.5 | -33.5 | 0 | 0 | 0 | 112.5 | ||
| 295 | P | 51.9 | Low | 48.3 | Very low | 118 Ų | 118 | 128 Ų | 128 | 77% | 0.766 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 156.7 | 179.2 | 28.8 | -33.5 | 0 | 0 | 0 | 112.9 | ||
| 296 | P | 55 | Low | 49.2 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 76% | 0.76 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 136.8 | -170.6 | 26.5 | -33.3 | 0 | 0 | 0 | 112.6 | ||
| 297 | S | 44.4 | Very low | 50.7 | Low | 81 Ų | 81 | 120.7 Ų | 120.7 | 57% | 0.566 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 141.8 | 175.3 | 52.5 | 0 | 0 | 0 | 0 | 111.5 | E299 S300 | S297-E299 PolarHBondContact O-N 2.78Å; S297-S300 PolarHBondContact O-N 2.77Å; S297-S300 PolarHBondContact O-OG 3.18Å |
| 298 | T | 55.3 | Low | 52.6 | Low | 101 Ų | 101 | 115 Ų | 115 | 62% | 0.62 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -3.4 | 180 | -35.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 299 | E | 55.7 | Low | 54 | Low | 155 Ų | 155 | 116.7 Ų | 116.7 | 72% | 0.724 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -74.3 | -26.1 | 178.5 | -157.5 | 160.4 | -163.9 | 0 | 0 | 112.5 | S297 L303 | S297-E299 PolarHBondContact O-N 2.78Å; E299-L303 PolarHBondContact O-N 2.77Å |
| 300 | S | 55.9 | Low | 55.4 | Low | 65 Ų | 65 | 117 Ų | 117 | 46% | 0.455 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -73.7 | -33.8 | 177.8 | 60.3 | 0 | 0 | 0 | 0 | 113.9 | S297 I304 | S297-S300 PolarHBondContact O-N 2.77Å; S297-S300 PolarHBondContact O-OG 3.18Å; S300-I304 WeakPolarHBondContact O-CG1 3.46Å; S300-I304 PolarHBondContact O-N 3.36Å |
| 301 | E | 56.1 | Low | 57.1 | Low | 138 Ų | 138 | 116 Ų | 116 | 65% | 0.645 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -71.9 | -37.4 | 177.8 | -84.9 | -176.4 | 143 | 0 | 0 | 112.4 | L303 I304 T305 | E301-L303 VanDerWaalsContact C-N 3.33Å; E301-L303 PolarHBondContact O-N 3.03Å; E301-I304 PolarHBondContact O-N 3Å; E301-T305 PolarHBondContact O-N 3.35Å; E301-T305 PolarHBondContact O-OG1 2.91Å |
| 302 | N | 59.2 | Low | 58.3 | Low | 111 Ų | 111 | 113.4 Ų | 113.4 | 59% | 0.594 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.7 | -33.9 | 177.5 | -75 | -21.2 | 0 | 0 | 0 | 112.1 | T305 H306 | N302-T305 PolarHBondContact O-OG1 3.38Å; N302-H306 WeakPolarHBondContact O-CB 3.37Å; N302-H306 PolarHBondContact O-N 3.4Å; N302-H306 VanDerWaalsContact O-N 3.07Å |
| 303 | L | 63.2 | Low | 59.2 | Low | 123 Ų | 123 | 110.8 Ų | 110.8 | 64% | 0.644 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.9 | -37.8 | 178.7 | -168.5 | 66.9 | 0 | 0 | 0 | 112.6 | E299 E301 T307 | E299-L303 PolarHBondContact O-N 2.77Å; E301-L303 VanDerWaalsContact C-N 3.33Å; E301-L303 PolarHBondContact O-N 3.03Å; L303-T307 PolarHBondContact O-N 3.09Å; L303-T307 VanDerWaalsContact O-N 3.11Å; L303-T307 PolarHBondContact O-OG1 3.01Å |
| 304 | I | 62.9 | Low | 60.2 | Low | 117 Ų | 117 | 109.7 Ų | 109.7 | 60% | 0.6 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -69.5 | -41 | 179.4 | -64.5 | 169.8 | 0 | 0 | 0 | 110.6 | S300 E301 T308 | S300-I304 WeakPolarHBondContact O-CG1 3.46Å; S300-I304 PolarHBondContact O-N 3.36Å; E301-I304 PolarHBondContact O-N 3Å; I304-T308 PolarHBondContact O-N 2.83Å; I304-T308 PolarHBondContact O-OG1 2.88Å |
| 305 | T | 64.2 | Low | 60.7 | Low | 92 Ų | 92 | 112.3 Ų | 112.3 | 56% | 0.564 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.5 | -37.4 | 176.7 | 24.4 | 0 | 0 | 0 | 0 | 112.4 | E301 N302 T308 R309 | E301-T305 PolarHBondContact O-N 3.35Å; E301-T305 PolarHBondContact O-OG1 2.91Å; N302-T305 PolarHBondContact O-OG1 3.38Å; T305-T308 PolarHBondContact O-N 2.83Å; T305-R309 PolarHBondContact O-N 2.86Å |
| 306 | H | 61.8 | Low | 61.2 | Low | 122 Ų | 122 | 113.3 Ų | 113.3 | 57% | 0.565 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.7 | -37.2 | 178.1 | -153.2 | -72 | 0 | 0 | 0 | 112.7 | N302 Q310 | N302-H306 WeakPolarHBondContact O-CB 3.37Å; N302-H306 PolarHBondContact O-N 3.4Å; N302-H306 VanDerWaalsContact O-N 3.07Å; H306-Q310 PolarHBondContact O-N 2.95Å |
| 307 | T | 68.5 | Low | 61.4 | Low | 65 Ų | 65 | 116.3 Ų | 116.3 | 40% | 0.399 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -70.5 | -39 | 178.9 | -50.7 | 0 | 0 | 0 | 0 | 111.3 | L303 R309 Q310 I311 | L303-T307 PolarHBondContact O-N 3.09Å; L303-T307 VanDerWaalsContact O-N 3.11Å; L303-T307 PolarHBondContact O-OG1 3.01Å; T307-R309 PolarHBondContact O-N 3.05Å; T307-Q310 PolarHBondContact O-N 2.81Å; T307-I311 HydrophobicContact CG2-CD1 4.22Å; T307-I311 WeakPolarHBondContact O-CG1 3.36Å; T307-I311 PolarHBondContact O-N 3.11Å |
| 308 | T | 67.3 | Low | 61.9 | Low | 79 Ų | 79 | 118.4 Ų | 118.4 | 49% | 0.485 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67 | -37.2 | 178.6 | -45.5 | 0 | 0 | 0 | 0 | 111.8 | I304 T305 I311 L312 | I304-T308 PolarHBondContact O-N 2.83Å; I304-T308 PolarHBondContact O-OG1 2.88Å; T305-T308 PolarHBondContact O-N 2.83Å; T308-I311 PolarHBondContact O-N 3.08Å; T308-L312 PolarHBondContact O-N 2.84Å |
| 309 | R | 69.7 | Low | 61.5 | Low | 176 Ų | 176 | 118.9 Ų | 118.9 | 66% | 0.664 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.7 | -40.4 | 176.3 | -166.5 | 176.6 | -179 | 162.2 | 5.1 | 112.5 | T305 T307 I311 L312 E313 | T305-R309 PolarHBondContact O-N 2.86Å; T307-R309 PolarHBondContact O-N 3.05Å; R309-I311 PolarHBondContact O-N 3.17Å; R309-L312 PolarHBondContact O-N 3.42Å; R309-E313 IonicContact NE-OE1 3.47Å; R309-E313 PolarHBondContact NE-OE1 3.29Å; R309-E313 PolarHBondContact O-N 2.84Å; R309-E313 VanDerWaalsContact O-N 3.07Å |
| 310 | Q | 65.3 | Low | 61.1 | Low | 112 Ų | 112 | 122.6 Ų | 122.6 | 52% | 0.523 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.3 | -37 | 176.7 | -81.3 | -174.1 | -31.1 | 0 | 0 | 112.9 | H306 T307 V314 | H306-Q310 PolarHBondContact O-N 2.95Å; T307-Q310 PolarHBondContact O-N 2.81Å; Q310-V314 WeakPolarHBondContact O-CG2 3.37Å; Q310-V314 PolarHBondContact O-N 3.16Å |
| 311 | I | 67.8 | Low | 61.3 | Low | 104 Ų | 104 | 125.5 Ų | 125.5 | 53% | 0.533 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -67.4 | -37.6 | 178 | -66.1 | 167.8 | 0 | 0 | 0 | 111.2 | T307 T308 R309 Y315 | T307-I311 HydrophobicContact CG2-CD1 4.22Å; T307-I311 WeakPolarHBondContact O-CG1 3.36Å; T307-I311 PolarHBondContact O-N 3.11Å; T308-I311 PolarHBondContact O-N 3.08Å; R309-I311 PolarHBondContact O-N 3.17Å; I311-Y315 PolarHBondContact O-N 2.93Å |
| 312 | L | 65.4 | Low | 61.6 | Low | 114 Ų | 114 | 124.8 Ų | 124.8 | 60% | 0.597 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -72.5 | -36.9 | 179 | -118.1 | 126.6 | 0 | 0 | 0 | 112.9 | T308 R309 Y315 M316 | T308-L312 PolarHBondContact O-N 2.84Å; R309-L312 PolarHBondContact O-N 3.42Å; L312-Y315 PolarHBondContact O-N 2.65Å; L312-M316 PolarHBondContact O-N 2.93Å |
| 313 | E | 62.3 | Low | 61.7 | Low | 112 Ų | 112 | 125.6 Ų | 125.6 | 52% | 0.523 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -66.7 | -37.3 | 175.9 | -77.3 | 177.3 | -173.3 | 0 | 0 | 112.1 | R309 M316 F317 | R309-E313 IonicContact NE-OE1 3.47Å; R309-E313 PolarHBondContact NE-OE1 3.29Å; R309-E313 PolarHBondContact O-N 2.84Å; R309-E313 VanDerWaalsContact O-N 3.07Å; E313-M316 PolarHBondContact O-N 2.82Å; E313-F317 PolarHBondContact O-N 2.83Å; E313-F317 VanDerWaalsContact O-N 3.16Å |
| 314 | V | 66.7 | Low | 61.7 | Low | 87 Ų | 87 | 125.7 Ų | 125.7 | 53% | 0.527 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -66.4 | -38.5 | 173.7 | 174.4 | 0 | 0 | 0 | 0 | 111.6 | Q310 L318 | Q310-V314 WeakPolarHBondContact O-CG2 3.37Å; Q310-V314 PolarHBondContact O-N 3.16Å; V314-L318 HydrophobicContact CG1-CD1 4.07Å; V314-L318 WeakPolarHBondContact O-CD1 3.44Å; V314-L318 PolarHBondContact O-N 2.88Å |
| 315 | Y | 56.9 | Low | 61.6 | Low | 170 Ų | 170 | 126.3 Ų | 126.3 | 67% | 0.667 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.3 | -38.3 | 177.7 | -110.4 | -89.2 | 0 | 0 | 0 | 113.1 | I311 L312 L318 | I311-Y315 PolarHBondContact O-N 2.93Å; L312-Y315 PolarHBondContact O-N 2.65Å; Y315-L318 PolarHBondContact O-N 2.99Å |
| 316 | M | 61.6 | Low | 61.4 | Low | 139 Ų | 139 | 128.5 Ų | 128.5 | 69% | 0.685 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68.9 | -34.9 | 177.2 | -79.1 | -78.7 | -67.8 | 0 | 0 | 112.6 | L312 E313 L318 C319 | L312-M316 PolarHBondContact O-N 2.93Å; E313-M316 PolarHBondContact O-N 2.82Å; M316-L318 VanDerWaalsContact C-N 3.28Å; M316-L318 PolarHBondContact O-N 2.98Å; M316-C319 PolarHBondContact O-N 3.2Å |
| 317 | F | 59.5 | Low | 61.4 | Low | 180 Ų | 180 | 129 Ų | 129 | 79% | 0.789 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -71.6 | -21.4 | 178.4 | -128 | -86.5 | 0 | 0 | 0 | 113.6 | E313 | E313-F317 PolarHBondContact O-N 2.83Å; E313-F317 VanDerWaalsContact O-N 3.16Å |
| 318 | L | 53.8 | Low | 60.8 | Low | 124 Ų | 124 | 133.9 Ų | 133.9 | 65% | 0.649 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -91.8 | -10.8 | 179.9 | -75.1 | 164.9 | 0 | 0 | 0 | 113.7 | V314 Y315 M316 | V314-L318 HydrophobicContact CG1-CD1 4.07Å; V314-L318 WeakPolarHBondContact O-CD1 3.44Å; V314-L318 PolarHBondContact O-N 2.88Å; Y315-L318 PolarHBondContact O-N 2.99Å; M316-L318 VanDerWaalsContact C-N 3.28Å; M316-L318 PolarHBondContact O-N 2.98Å |
| 319 | C | 48.6 | Very low | 60.3 | Low | 111 Ų | 111 | 138.5 Ų | 138.5 | 75% | 0.75 | 67% | 0.666 | S | S | * | * | trans | -102.9 | 9.6 | 179.1 | -77.5 | 0 | 0 | 0 | 0 | 114.1 | M316 | M316-C319 PolarHBondContact O-N 3.2Š| ||
| 320 | H | 45.9 | Very low | 59.4 | Low | 233 Ų | 233 | 135.1 Ų | 135.1 | 100% | 1.079 | 67% | 0.666 | S | S | * | * | trans | -115 | 0 | 176.1 | -137.2 | -34.1 | 0 | 0 | 0 | 111.9 |
Retrieved 320 of 320 residues in 247.5 ms
(Link to these results)