| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 51.8 | Low | 59.9 | Low | 249 Ų | 249 | 132.3 Ų | 132.3 | 100% | 1.227 | 66% | 0.661 | S | S | * | * | 0 | 52.8 | 0 | -168 | 148.9 | 175.6 | 0 | 0 | 108.5 | |||||
| 2 | A | 59.6 | Low | 60.6 | Low | 90 Ų | 90 | 130.9 Ų | 130.9 | 74% | 0.744 | 65% | 0.651 | S | S | * | * | trans | -153.9 | 42 | -164.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 3 | D | 59.8 | Low | 61.5 | Low | 130 Ų | 130 | 127.8 Ų | 127.8 | 70% | 0.695 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -146.6 | 22.1 | -173.4 | -163.5 | 37.1 | 0 | 0 | 0 | 112.2 | ||
| 4 | F | 55.3 | Low | 62.3 | Low | 141 Ų | 141 | 128.9 Ų | 128.9 | 62% | 0.618 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -115.8 | -27.4 | 175.5 | -166.4 | -105.3 | 0 | 0 | 0 | 112.1 | Y8 | F4-Y8 AromaticContact CD1-CE2 3.88Å; F4-Y8 HydrophobicContact CD1-CE2 3.88Å; F4-Y8 HydrophobicContact CE1-CD2 4.47Å; F4-Y8 AromaticContact CE1-CE2 3.42Å; F4-Y8 HydrophobicContact CE1-CE2 3.42Å; F4-Y8 VanDerWaalsContact CE1-CE2 3.42Å; F4-Y8 HydrophobicContact CE2-CE2 4.29Å; F4-Y8 AromaticContact CZ-CE2 3.65Å; F4-Y8 HydrophobicContact CZ-CE2 3.65Å; F4-Y8 AromaticContact CZ-CZ 3.96Å; F4-Y8 WeakPolarHBondContact CZ-OH 3.22Å; F4-Y8 VanDerWaalsContact O-CD2 3.23Å; F4-Y8 WeakPolarHBondContact O-CD2 3.35Å |
| 5 | D | 60.4 | Low | 63 | Low | 124 Ų | 124 | 128.7 Ų | 128.7 | 66% | 0.663 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -81.4 | -22.4 | -179.2 | -64.6 | -27.4 | 0 | 0 | 0 | 113.3 | ||
| 6 | E | 60.6 | Low | 63.7 | Low | 122 Ų | 122 | 128.2 Ų | 128.2 | 57% | 0.57 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -72.6 | -31 | -175.6 | -166.5 | 161.7 | -171.7 | 0 | 0 | 113.1 | E10 | E6-E10 PolarHBondContact O-N 2.95Å |
| 7 | I | 60.5 | Low | 64.3 | Low | 96 Ų | 96 | 123.5 Ų | 123.5 | 49% | 0.492 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -70.5 | -34.6 | 179 | -60.6 | 172.3 | 0 | 0 | 0 | 111.6 | E11 | I7-E11 PolarHBondContact O-N 2.68Å |
| 8 | Y | 62.3 | Low | 64.9 | Low | 123 Ų | 123 | 119.9 Ų | 119.9 | 48% | 0.482 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -72.2 | -37 | 179.3 | -71.3 | -81.2 | 0 | 0 | 0 | 112.4 | F4 E12 | F4-Y8 AromaticContact CD1-CE2 3.88Å; F4-Y8 HydrophobicContact CD1-CE2 3.88Å; F4-Y8 HydrophobicContact CE1-CD2 4.47Å; F4-Y8 AromaticContact CE1-CE2 3.42Å; F4-Y8 HydrophobicContact CE1-CE2 3.42Å; F4-Y8 VanDerWaalsContact CE1-CE2 3.42Å; F4-Y8 HydrophobicContact CE2-CE2 4.29Å; F4-Y8 AromaticContact CZ-CE2 3.65Å; F4-Y8 HydrophobicContact CZ-CE2 3.65Å; F4-Y8 AromaticContact CZ-CZ 3.96Å; F4-Y8 WeakPolarHBondContact CZ-OH 3.22Å; F4-Y8 VanDerWaalsContact O-CD2 3.23Å; F4-Y8 WeakPolarHBondContact O-CD2 3.35Å; Y8-E12 WeakPolarHBondContact O-CG 3.18Å; Y8-E12 PolarHBondContact O-N 3.16Å; Y8-E12 VanDerWaalsContact O-N 3.12Å |
| 9 | E | 61.7 | Low | 65.2 | Low | 137 Ų | 137 | 119.5 Ų | 119.5 | 64% | 0.64 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.8 | -39.4 | 178.3 | -69 | -171.3 | 172.1 | 0 | 0 | 111.6 | D13 | E9-D13 PolarHBondContact O-N 3.12Å; E9-D13 VanDerWaalsContact O-N 3.14Å |
| 10 | E | 61.9 | Low | 65.5 | Low | 124 Ų | 124 | 120.2 Ų | 120.2 | 58% | 0.579 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.9 | -43.6 | 175.9 | -72.2 | -171.1 | 157.9 | 0 | 0 | 112.5 | E6 D13 E14 | E6-E10 PolarHBondContact O-N 2.95Å; E10-D13 PolarHBondContact O-N 2.99Å; E10-E14 WeakPolarHBondContact O-CG 3.37Å; E10-E14 PolarHBondContact O-N 3.47Å |
| 11 | E | 65.1 | Low | 65.6 | Low | 119 Ų | 119 | 120.1 Ų | 120.1 | 56% | 0.556 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.5 | -42.4 | 177.4 | -77.1 | -174.5 | 173.7 | 0 | 0 | 112.3 | I7 D13 E14 E15 | I7-E11 PolarHBondContact O-N 2.68Å; E11-D13 PolarHBondContact O-N 3.13Å; E11-E14 PolarHBondContact O-N 3.13Å; E11-E15 WeakPolarHBondContact O-CB 3.49Å; E11-E15 PolarHBondContact O-N 3.11Å |
| 12 | E | 68.3 | Low | 66.4 | Low | 116 Ų | 116 | 110.8 Ų | 110.8 | 54% | 0.542 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.9 | -38.2 | 177.6 | -75.7 | -173.2 | -177.2 | 0 | 0 | 112.5 | Y8 R16 | Y8-E12 WeakPolarHBondContact O-CG 3.18Å; Y8-E12 PolarHBondContact O-N 3.16Å; Y8-E12 VanDerWaalsContact O-N 3.12Å; E12-R16 WeakPolarHBondContact O-CB 3.5Å; E12-R16 PolarHBondContact O-N 3.21Å |
| 13 | D | 72.8 | Confident | 66.8 | Low | 91 Ų | 91 | 111 Ų | 111 | 49% | 0.487 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -72.2 | -37.1 | 177.5 | -81.3 | -16.2 | 0 | 0 | 0 | 112 | E9 E10 E11 R16 A17 | E9-D13 PolarHBondContact O-N 3.12Å; E9-D13 VanDerWaalsContact O-N 3.14Å; E10-D13 PolarHBondContact O-N 2.99Å; E11-D13 PolarHBondContact O-N 3.13Å; D13-R16 PolarHBondContact O-N 3.31Å; D13-R16 IonicContact OD1-CZ 3.48Å; D13-R16 IonicContact OD1-NH1 3.41Å; D13-R16 PolarHBondContact OD1-NH1 3.37Å; D13-R16 IonicContact OD1-NH2 3.71Å; D13-A17 VanDerWaalsContact O-CB 3.32Å; D13-A17 WeakPolarHBondContact O-CB 3.39Å; D13-A17 PolarHBondContact O-N 3.37Å |
| 14 | E | 72.3 | Confident | 67.1 | Low | 143 Ų | 143 | 113.2 Ų | 113.2 | 67% | 0.668 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.6 | -44 | 171.7 | -76.6 | -167.4 | 169.2 | 0 | 0 | 112.1 | E10 E11 A17 L18 | E10-E14 WeakPolarHBondContact O-CG 3.37Å; E10-E14 PolarHBondContact O-N 3.47Å; E11-E14 PolarHBondContact O-N 3.13Å; E14-A17 PolarHBondContact O-N 3.2Å; E14-L18 WeakPolarHBondContact O-CB 3.45Å; E14-L18 PolarHBondContact O-N 2.65Å |
| 15 | E | 72.1 | Confident | 67.7 | Low | 125 Ų | 125 | 115.7 Ų | 115.7 | 58% | 0.584 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.3 | -45.3 | 177.1 | -171.1 | 171.5 | -164.7 | 0 | 0 | 110.7 | E11 A17 L18 E19 | E11-E15 WeakPolarHBondContact O-CB 3.49Å; E11-E15 PolarHBondContact O-N 3.11Å; E15-A17 PolarHBondContact O-N 3.37Å; E15-L18 WeakPolarHBondContact O-CB 3.33Å; E15-L18 PolarHBondContact O-N 3.06Å; E15-E19 WeakPolarHBondContact O-CG 3.38Å; E15-E19 PolarHBondContact O-N 3.36Å |
| 16 | R | 74.3 | Confident | 68.2 | Low | 121 Ų | 121 | 112.1 Ų | 112.1 | 46% | 0.457 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 176.1 | -165.8 | -175.8 | -57.6 | 131.9 | 9.2 | 112 | E12 D13 L18 E19 E20 | E12-R16 WeakPolarHBondContact O-CB 3.5Å; E12-R16 PolarHBondContact O-N 3.21Å; D13-R16 PolarHBondContact O-N 3.31Å; D13-R16 IonicContact OD1-CZ 3.48Å; D13-R16 IonicContact OD1-NH1 3.41Å; D13-R16 PolarHBondContact OD1-NH1 3.37Å; D13-R16 IonicContact OD1-NH2 3.71Å; R16-L18 VanDerWaalsContact C-N 3.32Å; R16-L18 PolarHBondContact O-N 2.97Å; R16-E19 PolarHBondContact O-N 2.96Å; R16-E20 WeakPolarHBondContact O-CG 3.48Å; R16-E20 PolarHBondContact O-N 3.34Å |
| 17 | A | 74.9 | Confident | 69.4 | Low | 48 Ų | 48 | 110 Ų | 110 | 40% | 0.397 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.8 | -37.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D13 E14 E15 E20 Q21 | D13-A17 VanDerWaalsContact O-CB 3.32Å; D13-A17 WeakPolarHBondContact O-CB 3.39Å; D13-A17 PolarHBondContact O-N 3.37Å; E14-A17 PolarHBondContact O-N 3.2Å; E15-A17 PolarHBondContact O-N 3.37Å; A17-E20 PolarHBondContact O-N 2.95Å; A17-Q21 WeakPolarHBondContact O-CG 3.28Å; A17-Q21 PolarHBondContact O-N 3.48Å |
| 18 | L | 74 | Confident | 70.8 | Confident | 60 Ų | 60 | 112.5 Ų | 112.5 | 31% | 0.314 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67 | -43.3 | 174.6 | -170.7 | 75.7 | 0 | 0 | 0 | 111.3 | E14 E15 R16 Q21 L22 | E14-L18 WeakPolarHBondContact O-CB 3.45Å; E14-L18 PolarHBondContact O-N 2.65Å; E15-L18 WeakPolarHBondContact O-CB 3.33Å; E15-L18 PolarHBondContact O-N 3.06Å; R16-L18 VanDerWaalsContact C-N 3.32Å; R16-L18 PolarHBondContact O-N 2.97Å; L18-Q21 PolarHBondContact O-N 3.45Å; L18-L22 HydrophobicContact CD2-CD1 4.45Å; L18-L22 HydrophobicContact CG-CD1 4.11Å; L18-L22 WeakPolarHBondContact O-CB 3.32Å; L18-L22 VanDerWaalsContact O-CG 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.41Å; L18-L22 PolarHBondContact O-N 3.41Å |
| 19 | E | 71.5 | Confident | 72.3 | Confident | 112 Ų | 112 | 108.3 Ų | 108.3 | 52% | 0.523 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.3 | -45 | 173.9 | -75.5 | -166.4 | 145.7 | 0 | 0 | 111.6 | E15 R16 Q21 L22 L23 | E15-E19 WeakPolarHBondContact O-CG 3.38Å; E15-E19 PolarHBondContact O-N 3.36Å; R16-E19 PolarHBondContact O-N 2.96Å; E19-Q21 PolarHBondContact O-N 2.98Å; E19-L22 PolarHBondContact O-N 2.85Å; E19-L23 WeakPolarHBondContact O-CB 3.36Å; E19-L23 VanDerWaalsContact O-CG 3.28Å; E19-L23 WeakPolarHBondContact O-CG 3.47Å; E19-L23 PolarHBondContact O-N 3.34Å |
| 20 | E | 70.1 | Confident | 73.9 | Confident | 132 Ų | 132 | 102.4 Ų | 102.4 | 62% | 0.617 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62 | -41.9 | 175.5 | -76.8 | -171 | 171.8 | 0 | 0 | 112.2 | R16 A17 L23 K24 | R16-E20 WeakPolarHBondContact O-CG 3.48Å; R16-E20 PolarHBondContact O-N 3.34Å; A17-E20 PolarHBondContact O-N 2.95Å; E20-L23 PolarHBondContact O-N 3.28Å; E20-K24 WeakPolarHBondContact O-CB 3.05Å; E20-K24 PolarHBondContact O-N 2.94Å |
| 21 | Q | 68.6 | Low | 75.6 | Confident | 119 Ų | 119 | 99.4 Ų | 99.4 | 56% | 0.556 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.2 | -43.8 | 174.4 | -77.6 | -170 | -3.2 | 0 | 0 | 111.7 | A17 L18 E19 L23 K24 Y25 | A17-Q21 WeakPolarHBondContact O-CG 3.28Å; A17-Q21 PolarHBondContact O-N 3.48Å; L18-Q21 PolarHBondContact O-N 3.45Å; E19-Q21 PolarHBondContact O-N 2.98Å; Q21-L23 VanDerWaalsContact C-N 3.33Å; Q21-L23 PolarHBondContact O-N 3.48Å; Q21-K24 WeakPolarHBondContact O-CB 3.39Å; Q21-K24 PolarHBondContact O-N 2.91Å; Q21-K24 VanDerWaalsContact O-N 3.13Å; Q21-Y25 WeakPolarHBondContact O-CD2 3.28Å; Q21-Y25 PolarHBondContact O-N 2.81Å |
| 22 | L | 68.8 | Low | 77 | Confident | 53 Ų | 53 | 94 Ų | 94 | 28% | 0.277 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 177.9 | -76.8 | 168.9 | 0 | 0 | 0 | 111.8 | L18 E19 K24 Y25 S26 P157 | L18-L22 HydrophobicContact CD2-CD1 4.45Å; L18-L22 HydrophobicContact CG-CD1 4.11Å; L18-L22 WeakPolarHBondContact O-CB 3.32Å; L18-L22 VanDerWaalsContact O-CG 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.41Å; L18-L22 PolarHBondContact O-N 3.41Å; E19-L22 PolarHBondContact O-N 2.85Å; L22-K24 VanDerWaalsContact C-N 3.33Å; L22-Y25 PolarHBondContact O-N 2.9Å; L22-S26 PolarHBondContact O-N 3.49Å; L22-P157 HydrophobicContact CB-CB 3.77Å; L22-P157 HydrophobicContact CB-CG 4.49Å; L22-P157 HydrophobicContact CD1-CB 4.47Å |
| 23 | L | 66.9 | Low | 78.3 | Confident | 94 Ų | 94 | 91 Ų | 91 | 49% | 0.492 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.8 | -37.7 | 172.2 | -75.4 | 169.5 | 0 | 0 | 0 | 111.7 | E19 E20 Q21 Y25 S26 | E19-L23 WeakPolarHBondContact O-CB 3.36Å; E19-L23 VanDerWaalsContact O-CG 3.28Å; E19-L23 WeakPolarHBondContact O-CG 3.47Å; E19-L23 PolarHBondContact O-N 3.34Å; E20-L23 PolarHBondContact O-N 3.28Å; Q21-L23 VanDerWaalsContact C-N 3.33Å; Q21-L23 PolarHBondContact O-N 3.48Å; L23-Y25 VanDerWaalsContact C-N 3.28Å; L23-Y25 PolarHBondContact O-N 3.21Å; L23-S26 VanDerWaalsContact O-CB 3.29Å; L23-S26 WeakPolarHBondContact O-CB 3.4Å; L23-S26 PolarHBondContact O-N 3.33Å; L23-S26 VanDerWaalsContact O-N 3.11Å; L23-S26 PolarHBondContact O-OG 2.81Å |
| 24 | K | 66.5 | Low | 79.3 | Confident | 178 Ų | 178 | 88.1 Ų | 88.1 | 77% | 0.774 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -64.9 | -29.8 | 177.9 | -167.4 | 176.8 | -178.2 | 179.5 | 0 | 113.5 | E20 Q21 L22 | E20-K24 WeakPolarHBondContact O-CB 3.05Å; E20-K24 PolarHBondContact O-N 2.94Å; Q21-K24 WeakPolarHBondContact O-CB 3.39Å; Q21-K24 PolarHBondContact O-N 2.91Å; Q21-K24 VanDerWaalsContact O-N 3.13Å; L22-K24 VanDerWaalsContact C-N 3.33Å |
| 25 | Y | 67.9 | Low | 80.3 | Confident | 193 Ų | 193 | 83.7 Ų | 83.7 | 76% | 0.757 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 6.1 | 174.9 | -69.6 | -72.9 | 0 | 0 | 0 | 113.6 | Q21 L22 L23 | Q21-Y25 WeakPolarHBondContact O-CD2 3.28Å; Q21-Y25 PolarHBondContact O-N 2.81Å; L22-Y25 PolarHBondContact O-N 2.9Å; L23-Y25 VanDerWaalsContact C-N 3.28Å; L23-Y25 PolarHBondContact O-N 3.21Å |
| 26 | S | 72.1 | Confident | 81.1 | Confident | 48 Ų | 48 | 78.8 Ų | 78.8 | 34% | 0.336 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 135.5 | 176.3 | 66.9 | 0 | 0 | 0 | 0 | 110 | L22 L23 | L22-S26 PolarHBondContact O-N 3.49Å; L23-S26 VanDerWaalsContact O-CB 3.29Å; L23-S26 WeakPolarHBondContact O-CB 3.4Å; L23-S26 PolarHBondContact O-N 3.33Å; L23-S26 VanDerWaalsContact O-N 3.11Å; L23-S26 PolarHBondContact O-OG 2.81Å |
| 27 | P | 85.3 | Confident | 81.8 | Confident | 79 Ų | 79 | 82 Ų | 82 | 51% | 0.513 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 152 | 178.6 | 24 | -31.6 | 0 | 0 | 0 | 110.9 | F155 | P27-F155 HydrophobicContact CB-CD2 4.19Å; P27-F155 HydrophobicContact CG-CB 3.66Å; P27-F155 HydrophobicContact CG-CD1 4.36Å; P27-F155 HydrophobicContact CG-CD2 3.56Å; P27-F155 HydrophobicContact CG-CE2 4.25Å; P27-F155 HydrophobicContact CG-CG 3.6Å |
| 28 | D | 89.6 | Confident | 82.4 | Confident | 147 Ų | 147 | 82.6 Ų | 82.6 | 79% | 0.786 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 136.6 | -179.7 | -77.1 | -36.3 | 0 | 0 | 0 | 111.6 | ||
| 29 | P | 93.9 | Very high | 83 | Confident | 35 Ų | 35 | 83.9 Ų | 83.9 | 23% | 0.227 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 143.9 | -177.6 | 26.6 | -34.1 | 0 | 0 | 0 | 111.4 | V31 L152 I153 E154 | P29-V31 PolarHBondContact O-N 2.68Å; P29-L152 HydrophobicContact CB-CB 4.44Å; P29-I153 CarbonylContact C-O 3.58Å; P29-I153 VanDerWaalsContact CA-O 3.31Å; P29-I153 WeakPolarHBondContact CA-O 3.29Å; P29-E154 HydrophobicContact CB-CG 3.88Å |
| 30 | V | 95.8 | Very high | 83.7 | Confident | 13 Ų | 13 | 78.9 Ų | 78.9 | 8% | 0.079 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 126.2 | 171.2 | -175.6 | 0 | 0 | 0 | 0 | 108.7 | P52 L55 I153 F155 | V30-P52 HydrophobicContact CG1-CB 3.67Å; V30-P52 HydrophobicContact CG1-CG 3.85Å; V30-L55 HydrophobicContact CG2-CD2 3.88Å; V30-L55 HydrophobicContact CG2-CG 4.25Å; V30-I153 HydrophobicContact CB-CB 4.15Å; V30-I153 PolarHBondContact N-O 3.46Å; V30-I153 PolarHBondContact O-N 2.84Å; V30-F155 HydrophobicContact CG2-CE2 3.96Å; V30-F155 HydrophobicContact CG2-CZ 3.9Å |
| 31 | V | 96.1 | Very high | 84.5 | Confident | 61 Ų | 61 | 77.2 Ų | 77.2 | 37% | 0.37 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 116.3 | -177.5 | -172.1 | 0 | 0 | 0 | 0 | 109.8 | P29 R33 V150 L152 | P29-V31 PolarHBondContact O-N 2.68Å; V31-R33 HydrophobicContact CG1-CG 4.04Å; V31-V150 HydrophobicContact CG1-CB 3.85Å; V31-V150 HydrophobicContact CG1-CG1 4.06Å; V31-V150 HydrophobicContact CG1-CG2 3.91Å; V31-L152 HydrophobicContact CB-CD2 4.35Å; V31-L152 HydrophobicContact CG1-CD2 4.21Å; V31-L152 HydrophobicContact CG2-CD2 3.78Å |
| 32 | V | 96.3 | Very high | 85.5 | Confident | 5 Ų | 5 | 72.2 Ų | 72.2 | 3% | 0.03 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 112.5 | 172.7 | -176 | 0 | 0 | 0 | 0 | 109.2 | F47 E48 F64 I68 I151 I153 | V32-F47 HydrophobicContact CG1-CB 4.4Å; V32-E48 HydrophobicContact CG1-CB 4.37Å; V32-F64 HydrophobicContact CG2-CE2 4.12Å; V32-F64 HydrophobicContact CG2-CZ 4.07Å; V32-I68 HydrophobicContact CG1-CD1 4.05Å; V32-I151 HydrophobicContact CB-CB 4.2Å; V32-I151 PolarHBondContact N-O 3.28Å; V32-I151 PolarHBondContact O-N 3.2Å; V32-I153 HydrophobicContact CG2-CD1 3.92Å |
| 33 | R | 95 | Very high | 86.6 | Confident | 55 Ų | 55 | 69.8 Ų | 69.8 | 21% | 0.208 | 37% | 0.373 | C | S | . | . | trans | -92.9 | 165.9 | -174.2 | -66.6 | 177.8 | 173.1 | -98 | -14.4 | 112.5 | V31 E48 E142 E148 V150 | V31-R33 HydrophobicContact CG1-CG 4.04Å; R33-E48 PolarHBondContact O-N 3.44Å; R33-E142 VanDerWaalsContact CZ-CG 3.44Å; R33-E142 IonicContact CZ-OE1 3.48Å; R33-E142 IonicContact CZ-OE2 3.16Å; R33-E142 VanDerWaalsContact NE-CD 3.32Å; R33-E142 IonicContact NE-OE1 3.92Å; R33-E142 PolarHBondContact NE-OE1 3.12Å; R33-E142 IonicContact NE-OE2 3Å; R33-E142 PolarHBondContact NE-OE2 3.09Å; R33-E142 VanDerWaalsContact NH1-N 3.16Å; R33-E142 IonicContact NH1-OE1 2.67Å; R33-E142 IonicContact NH1-OE2 3.63Å; R33-E142 IonicContact NH2-OE1 3.89Å; R33-E142 PolarHBondContact NH2-OE1 3.02Å; R33-E142 IonicContact NH2-OE2 2.65Å; R33-E148 IonicContact CZ-OE1 2.94Å; R33-E148 IonicContact NH1-OE1 3.8Å; R33-E148 PolarHBondContact NH1-OE1 3.43Å; R33-V150 HydrophobicContact CG-CG1 4.13Å | ||
| 34 | G | 93.2 | Very high | 87.8 | Confident | 30 Ų | 30 | 65.6 Ų | 65.6 | 31% | 0.309 | 35% | 0.352 | S | S | . | . | B | Isolated β-bridge | trans | -71.3 | 132.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K46 | G34-K46 CarbonylContact C-O 3.55Å; G34-K46 VanDerWaalsContact CA-O 3.27Å; G34-K46 WeakPolarHBondContact CA-O 3.28Å |
| 35 | S | 93.5 | Very high | 88.9 | Confident | 50 Ų | 50 | 59.6 Ų | 59.6 | 35% | 0.35 | 33% | 0.328 | S | S | . | . | trans | -115.1 | 16.4 | 174.8 | 55.8 | 0 | 0 | 0 | 0 | 112.3 | K46 F47 E48 | S35-K46 PolarHBondContact N-O 3.07Å; S35-F47 PolarHBondContact OG-O 2.85Å; S35-E48 WeakPolarHBondContact OG-CA 3.39Å; S35-E48 PolarHBondContact OG-N 3.47Å | ||
| 36 | G | 89.3 | Confident | 90.2 | Very high | 21 Ų | 21 | 55 Ų | 55 | 22% | 0.216 | 31% | 0.312 | C | S | . | . | trans | -89.3 | 158.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114 | S44 N45 K46 | G36-S44 WeakPolarHBondContact CA-OG 3.41Å; G36-S44 PolarHBondContact N-OG 2.86Å; G36-N45 WeakPolarHBondContact CA-OD1 3.31Å; G36-K46 PolarHBondContact N-O 3.28Å | ||
| 37 | H | 88.4 | Confident | 91.4 | Very high | 189 Ų | 189 | 52.7 Ų | 52.7 | 88% | 0.875 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -87.4 | -12.3 | 176.5 | -57.2 | -64.9 | 0 | 0 | 0 | 113.7 | N45 | H37-N45 PolarHBondContact N-OD1 3.41Š|
| 38 | V | 87.1 | Confident | 91.8 | Very high | 61 Ų | 61 | 53 Ų | 53 | 37% | 0.37 | 29% | 0.291 | S | S | . | . | trans | -123.1 | 126.8 | -177.8 | -179.5 | 0 | 0 | 0 | 0 | 108.9 | V40 N45 L79 V83 | V38-V40 HydrophobicContact CG1-CG2 4.19Å; V38-N45 HydrophobicContact CB-CB 4.15Å; V38-N45 PolarHBondContact N-OD1 3.39Å; V38-N45 WeakPolarHBondContact O-CB 3.46Å; V38-N45 PolarHBondContact O-N 3.33Å; V38-N45 PolarHBondContact O-OD1 2.67Å; V38-L79 HydrophobicContact CG1-CD2 4.11Å; V38-V83 HydrophobicContact CG1-CG2 4.18Å | ||
| 39 | T | 87.7 | Confident | 92.1 | Very high | 87 Ų | 87 | 48.1 Ų | 48.1 | 53% | 0.534 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 130.3 | 176.9 | -63.6 | 0 | 0 | 0 | 0 | 109.7 | L43 | T39-L43 WeakPolarHBondContact CA-O 3.27Å |
| 40 | V | 85.4 | Confident | 92.2 | Very high | 7 Ų | 7 | 53.3 Ų | 53.3 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 114.3 | -178.6 | -179.2 | 0 | 0 | 0 | 0 | 109.1 | V38 G42 L43 L79 V83 | V38-V40 HydrophobicContact CG1-CG2 4.19Å; V40-G42 VanDerWaalsContact C-N 3.25Å; V40-G42 PolarHBondContact O-N 2.86Å; V40-L43 PolarHBondContact N-O 2.84Å; V40-L43 WeakPolarHBondContact O-CB 3.47Å; V40-L43 PolarHBondContact O-N 2.81Å; V40-L79 HydrophobicContact CB-CD1 4.16Å; V40-L79 HydrophobicContact CG2-CD1 4.19Å; V40-L79 HydrophobicContact CG2-CD2 4.11Å; V40-L79 HydrophobicContact CG2-CG 4.1Å; V40-V83 HydrophobicContact CG2-CG2 3.73Å |
| 41 | F | 86.3 | Confident | 92.2 | Very high | 97 Ų | 97 | 55.1 Ų | 55.1 | 43% | 0.425 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 42.6 | -172.1 | -55.4 | -78.5 | 0 | 0 | 0 | 113.7 | L43 L86 V104 Y149 | F41-L43 VanDerWaalsContact C-N 3.26Å; F41-L43 PolarHBondContact O-N 2.92Å; F41-L86 HydrophobicContact CZ-CD1 4.19Å; F41-V104 HydrophobicContact CE2-CG1 3.64Å; F41-V104 HydrophobicContact CZ-CG1 3.9Å; F41-Y149 WeakPolarHBondContact O-CE2 3.49Å |
| 42 | G | 90.3 | Very high | 92.1 | Very high | 13 Ų | 13 | 53.5 Ų | 53.5 | 13% | 0.134 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | -5.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115 | V40 M147 E148 Y149 | V40-G42 VanDerWaalsContact C-N 3.25Å; V40-G42 PolarHBondContact O-N 2.86Å; G42-M147 WeakPolarHBondContact CA-O 3.29Å; G42-E148 CarbonylContact O-C 3.54Å; G42-E148 VanDerWaalsContact O-CA 3.31Å; G42-E148 WeakPolarHBondContact O-CA 3.42Å; G42-Y149 PolarHBondContact O-N 3.1Å |
| 43 | L | 91.2 | Very high | 92.1 | Very high | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 115.5 | 175.9 | -174.5 | 65.5 | 0 | 0 | 0 | 110.2 | T39 V40 F41 F47 L75 T111 R112 I115 Y149 | T39-L43 WeakPolarHBondContact CA-O 3.27Å; V40-L43 PolarHBondContact N-O 2.84Å; V40-L43 WeakPolarHBondContact O-CB 3.47Å; V40-L43 PolarHBondContact O-N 2.81Å; F41-L43 VanDerWaalsContact C-N 3.26Å; F41-L43 PolarHBondContact O-N 2.92Å; L43-F47 HydrophobicContact CD1-CE2 4.3Å; L43-F47 HydrophobicContact CD1-CZ 4.13Å; L43-L75 HydrophobicContact CD1-CD2 4.27Å; L43-L75 HydrophobicContact CD2-CD2 3.79Å; L43-L75 HydrophobicContact CG-CD2 3.96Å; L43-T111 HydrophobicContact CD2-CG2 3.99Å; L43-R112 HydrophobicContact CD2-CG 4.34Å; L43-I115 HydrophobicContact CD1-CD1 4.21Å; L43-I115 HydrophobicContact CD2-CD1 4.06Å; L43-Y149 HydrophobicContact CB-CD2 4.05Å; L43-Y149 HydrophobicContact CD1-CG 4.33Å |
| 44 | S | 92 | Very high | 92 | Very high | 7 Ų | 7 | 59 Ų | 59 | 5% | 0.049 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 148.5 | 174.1 | 175.4 | 0 | 0 | 0 | 0 | 111.4 | G36 K46 | G36-S44 WeakPolarHBondContact CA-OG 3.41Å; G36-S44 PolarHBondContact N-OG 2.86Å; S44-K46 PolarHBondContact O-N 2.83Å; S44-K46 PolarHBondContact OG-N 3.44Å; S44-K46 PolarHBondContact OG-O 2.95Å |
| 45 | N | 90.7 | Very high | 92 | Very high | 52 Ų | 52 | 57.5 Ų | 57.5 | 28% | 0.278 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -73.4 | -8.9 | 174.4 | 77.9 | -30 | 0 | 0 | 0 | 114.3 | G36 H37 V38 L79 | G36-N45 WeakPolarHBondContact CA-OD1 3.31Å; H37-N45 PolarHBondContact N-OD1 3.41Å; V38-N45 HydrophobicContact CB-CB 4.15Å; V38-N45 PolarHBondContact N-OD1 3.39Å; V38-N45 WeakPolarHBondContact O-CB 3.46Å; V38-N45 PolarHBondContact O-N 3.33Å; V38-N45 PolarHBondContact O-OD1 2.67Å; N45-L79 HydrophobicContact CB-CD2 3.19Å |
| 46 | K | 94.8 | Very high | 92.1 | Very high | 95 Ų | 95 | 59.9 Ų | 59.9 | 41% | 0.413 | 33% | 0.332 | S | S | . | . | trans | -152.9 | 135.8 | 177.7 | -173.2 | -176.4 | 175.1 | -166.2 | 0 | 110.3 | G34 S35 G36 S44 N72 | G34-K46 CarbonylContact C-O 3.55Å; G34-K46 VanDerWaalsContact CA-O 3.27Å; G34-K46 WeakPolarHBondContact CA-O 3.28Å; S35-K46 PolarHBondContact N-O 3.07Å; G36-K46 PolarHBondContact N-O 3.28Å; S44-K46 PolarHBondContact O-N 2.83Å; S44-K46 PolarHBondContact OG-N 3.44Å; S44-K46 PolarHBondContact OG-O 2.95Å; K46-N72 WeakPolarHBondContact CA-OD1 3.4Å | ||
| 47 | F | 96.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 36% | 0.362 | C | S | . | . | B | Isolated β-bridge | trans | -92.5 | 147.7 | 165.2 | -73.1 | -77 | 0 | 0 | 0 | 110.7 | V32 S35 L43 S49 V71 N72 L75 L136 Y149 I151 | V32-F47 HydrophobicContact CG1-CB 4.4Å; S35-F47 PolarHBondContact OG-O 2.85Å; L43-F47 HydrophobicContact CD1-CE2 4.3Å; L43-F47 HydrophobicContact CD1-CZ 4.13Å; F47-S49 PolarHBondContact O-N 3.45Å; F47-V71 HydrophobicContact CD2-CG1 3.83Å; F47-V71 HydrophobicContact CE2-CG1 4.1Å; F47-N72 PolarHBondContact N-OD1 3.15Å; F47-N72 PolarHBondContact O-ND2 3.36Å; F47-N72 VanDerWaalsContact O-ND2 3.08Å; F47-L75 HydrophobicContact CD2-CD1 3.65Å; F47-L75 HydrophobicContact CE2-CD1 3.78Å; F47-L136 HydrophobicContact CZ-CD1 4.11Å; F47-Y149 WeakPolarHBondContact CE1-O 3.18Å; F47-I151 HydrophobicContact CB-CD1 4.39Å; F47-I151 HydrophobicContact CD1-CD1 4.07Å; F47-I151 HydrophobicContact CD1-CG1 4.16Å; F47-I151 HydrophobicContact CD2-CD1 3.8Å; F47-I151 HydrophobicContact CD2-CG1 4.4Å; F47-I151 HydrophobicContact CE1-CD1 4.32Å; F47-I151 HydrophobicContact CE1-CG1 3.99Å; F47-I151 HydrophobicContact CE2-CD1 4.03Å; F47-I151 HydrophobicContact CE2-CG1 4.21Å; F47-I151 HydrophobicContact CG-CD1 3.81Å; F47-I151 HydrophobicContact CG-CG1 4.38Å; F47-I151 HydrophobicContact CZ-CD1 4.29Å; F47-I151 HydrophobicContact CZ-CG1 4Å |
| 48 | E | 95.5 | Very high | 92.5 | Very high | 85 Ų | 85 | 58.4 Ų | 58.4 | 40% | 0.397 | 34% | 0.34 | S | S | . | . | trans | -53.9 | 133 | 172.5 | -173.1 | 160.8 | -113.9 | 0 | 0 | 111.7 | V32 R33 S35 E50 | V32-E48 HydrophobicContact CG1-CB 4.37Å; R33-E48 PolarHBondContact O-N 3.44Å; S35-E48 WeakPolarHBondContact OG-CA 3.39Å; S35-E48 PolarHBondContact OG-N 3.47Å; E48-E50 HydrophobicContact CG-CB 3.93Å | ||
| 49 | S | 94.5 | Very high | 92.9 | Very high | 45 Ų | 45 | 56.1 Ų | 56.1 | 32% | 0.315 | 33% | 0.326 | S | S | . | . | trans | -108.4 | 3.3 | -178.9 | 59.8 | 0 | 0 | 0 | 0 | 112.7 | F47 | F47-S49 PolarHBondContact O-N 3.45Š| ||
| 50 | E | 95.8 | Very high | 93.3 | Very high | 144 Ų | 144 | 53.7 Ų | 53.7 | 67% | 0.673 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -70.1 | 140.1 | 171.8 | -172.7 | 168.1 | -179 | 0 | 0 | 109.2 | E48 P52 F64 | E48-E50 HydrophobicContact CG-CB 3.93Å; E50-P52 WeakPolarHBondContact O-CD 3.26Å; E50-F64 VanDerWaalsContact O-CE1 3.28Å; E50-F64 WeakPolarHBondContact O-CE1 3.46Å |
| 51 | F | 96.3 | Very high | 93.9 | Very high | 51 Ų | 51 | 56.6 Ų | 56.6 | 22% | 0.224 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 120.2 | -176.9 | -178.5 | -100.5 | 0 | 0 | 0 | 109.7 | S53 L55 V59 P61 F64 | F51-S53 PolarHBondContact O-N 3.41Å; F51-L55 HydrophobicContact CE1-CB 4.3Å; F51-L55 HydrophobicContact CE2-CB 4.07Å; F51-L55 HydrophobicContact CZ-CB 3.68Å; F51-V59 HydrophobicContact CE2-CG1 4.14Å; F51-V59 HydrophobicContact CZ-CG1 4.47Å; F51-V59 WeakPolarHBondContact CZ-O 3.25Å; F51-P61 HydrophobicContact CB-CB 4.41Å; F51-P61 HydrophobicContact CD1-CG 4.3Å; F51-P61 HydrophobicContact CD2-CB 3.85Å; F51-P61 HydrophobicContact CD2-CG 4.16Å; F51-P61 HydrophobicContact CE1-CG 4.29Å; F51-P61 HydrophobicContact CE2-CB 4.2Å; F51-P61 HydrophobicContact CE2-CG 4.13Å; F51-P61 HydrophobicContact CG-CB 4.03Å; F51-P61 HydrophobicContact CG-CG 4.22Å; F51-P61 HydrophobicContact CZ-CG 4.2Å; F51-F64 HydrophobicContact CD2-CB 3.82Å; F51-F64 AromaticContact CD2-CD1 3.97Å; F51-F64 HydrophobicContact CD2-CD1 3.97Å; F51-F64 AromaticContact CD2-CG 3.86Å; F51-F64 HydrophobicContact CD2-CG 3.86Å; F51-F64 HydrophobicContact CE2-CB 3.97Å; F51-F64 HydrophobicContact CE2-CG 4.3Å |
| 52 | P | 95.3 | Very high | 94.4 | Very high | 27 Ų | 27 | 57.9 Ų | 57.9 | 18% | 0.175 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -71 | 125.9 | 179.4 | 28.2 | -34 | 0 | 0 | 0 | 110.2 | V30 E50 S54 L55 F64 | V30-P52 HydrophobicContact CG1-CB 3.67Å; V30-P52 HydrophobicContact CG1-CG 3.85Å; E50-P52 WeakPolarHBondContact O-CD 3.26Å; P52-S54 PolarHBondContact O-N 3.2Å; P52-S54 VanDerWaalsContact O-N 3.12Å; P52-L55 HydrophobicContact CG-CB 4.29Å; P52-L55 HydrophobicContact CG-CD1 3.49Å; P52-L55 VanDerWaalsContact CG-CD1 3.49Å; P52-L55 HydrophobicContact CG-CG 3.77Å; P52-L55 WeakPolarHBondContact O-CB 3.43Å; P52-L55 PolarHBondContact O-N 3.1Å; P52-F64 VanDerWaalsContact CD-CZ 3.44Å; P52-F64 HydrophobicContact CG-CE2 3.95Å; P52-F64 HydrophobicContact CG-CZ 4.11Å |
| 53 | S | 94.6 | Very high | 94.7 | Very high | 96 Ų | 96 | 60.5 Ų | 60.5 | 67% | 0.671 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -57.9 | -28.9 | -178 | 56.4 | 0 | 0 | 0 | 0 | 113.1 | F51 L55 T56 | F51-S53 PolarHBondContact O-N 3.41Å; S53-L55 PolarHBondContact O-N 3.49Å; S53-L55 VanDerWaalsContact O-N 3.13Å; S53-T56 WeakPolarHBondContact O-CB 3.35Å; S53-T56 PolarHBondContact O-N 2.94Å; S53-T56 PolarHBondContact O-OG1 2.86Å |
| 54 | S | 93 | Very high | 95 | Very high | 79 Ų | 79 | 60.4 Ų | 60.4 | 55% | 0.552 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -61.4 | -16.3 | 174.6 | -48.9 | 0 | 0 | 0 | 0 | 114.5 | P52 | P52-S54 PolarHBondContact O-N 3.2Å; P52-S54 VanDerWaalsContact O-N 3.12Å |
| 55 | L | 94.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -94.9 | 0.5 | 175.3 | -65.3 | -175.7 | 0 | 0 | 0 | 113.5 | V30 F51 P52 S53 G57 K58 V59 F64 L132 I153 F155 | V30-L55 HydrophobicContact CG2-CD2 3.88Å; V30-L55 HydrophobicContact CG2-CG 4.25Å; F51-L55 HydrophobicContact CE1-CB 4.3Å; F51-L55 HydrophobicContact CE2-CB 4.07Å; F51-L55 HydrophobicContact CZ-CB 3.68Å; P52-L55 HydrophobicContact CG-CB 4.29Å; P52-L55 HydrophobicContact CG-CD1 3.49Å; P52-L55 VanDerWaalsContact CG-CD1 3.49Å; P52-L55 HydrophobicContact CG-CG 3.77Å; P52-L55 WeakPolarHBondContact O-CB 3.43Å; P52-L55 PolarHBondContact O-N 3.1Å; S53-L55 PolarHBondContact O-N 3.49Å; S53-L55 VanDerWaalsContact O-N 3.13Å; L55-G57 PolarHBondContact O-N 2.91Å; L55-K58 WeakPolarHBondContact O-CB 3.45Å; L55-K58 PolarHBondContact O-N 3.49Å; L55-V59 HydrophobicContact CB-CG1 3.92Å; L55-V59 HydrophobicContact CD1-CG1 3.95Å; L55-V59 HydrophobicContact CG-CG1 4.41Å; L55-V59 PolarHBondContact O-N 2.93Å; L55-F64 HydrophobicContact CD1-CD2 3.82Å; L55-F64 HydrophobicContact CD1-CE2 4.06Å; L55-L132 HydrophobicContact CD2-CD1 4.49Å; L55-L132 HydrophobicContact CD2-CD2 4.44Å; L55-I153 HydrophobicContact CD1-CD1 3.71Å; L55-I153 HydrophobicContact CD2-CG2 4.12Å; L55-F155 HydrophobicContact CD2-CE1 4.44Å; L55-F155 HydrophobicContact CD2-CZ 4.27Å |
| 56 | T | 94.1 | Very high | 95.5 | Very high | 99 Ų | 99 | 64.6 Ų | 64.6 | 61% | 0.607 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 128.5 | 178.8 | -56.7 | 0 | 0 | 0 | 0 | 110.1 | S53 K58 | S53-T56 WeakPolarHBondContact O-CB 3.35Å; S53-T56 PolarHBondContact O-N 2.94Å; S53-T56 PolarHBondContact O-OG1 2.86Å; T56-K58 PolarHBondContact O-N 3.2Å |
| 57 | G | 93.3 | Very high | 95.6 | Very high | 83 Ų | 83 | 60.1 Ų | 60.1 | 86% | 0.856 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 1.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L55 | L55-G57 PolarHBondContact O-N 2.91Š|
| 58 | K | 93.9 | Very high | 95.7 | Very high | 97 Ų | 97 | 60.1 Ų | 60.1 | 42% | 0.422 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -41 | 177.7 | -57.6 | -71.4 | -174 | 157.5 | 0 | 112.7 | L55 T56 L132 F155 | L55-K58 WeakPolarHBondContact O-CB 3.45Å; L55-K58 PolarHBondContact O-N 3.49Å; T56-K58 PolarHBondContact O-N 3.2Å; K58-L132 HydrophobicContact CB-CD1 4.45Å; K58-F155 HydrophobicContact CG-CE1 4.47Å |
| 59 | V | 96.1 | Very high | 95.7 | Very high | 12 Ų | 12 | 59.5 Ų | 59.5 | 7% | 0.073 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -142.2 | 148 | 176.6 | 57.3 | 0 | 0 | 0 | 0 | 110 | F51 L55 E63 Y127 L130 L132 | F51-V59 HydrophobicContact CE2-CG1 4.14Å; F51-V59 HydrophobicContact CZ-CG1 4.47Å; F51-V59 WeakPolarHBondContact CZ-O 3.25Å; L55-V59 HydrophobicContact CB-CG1 3.92Å; L55-V59 HydrophobicContact CD1-CG1 3.95Å; L55-V59 HydrophobicContact CG-CG1 4.41Å; L55-V59 PolarHBondContact O-N 2.93Å; V59-E63 HydrophobicContact CG2-CB 4.03Å; V59-Y127 HydrophobicContact CG2-CE1 3.94Å; V59-L130 HydrophobicContact CB-CD1 3.86Å; V59-L130 HydrophobicContact CG2-CD1 3.83Å; V59-L132 HydrophobicContact CB-CD1 4.29Å; V59-L132 HydrophobicContact CG1-CD1 4.27Å |
| 60 | A | 96 | Very high | 95.8 | Very high | 37 Ų | 37 | 61.4 Ų | 61.4 | 31% | 0.306 | 35% | 0.35 | S | S | . | . | trans | -70.3 | 137 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | E62 E63 F64 | A60-E62 VanDerWaalsContact CB-CD 3.48Å; A60-E62 HydrophobicContact CB-CG 4.35Å; A60-E62 WeakPolarHBondContact CB-OE1 3.42Å; A60-E62 PolarHBondContact O-N 3.41Å; A60-E63 HydrophobicContact CB-CG 4.46Å; A60-E63 PolarHBondContact O-N 3.35Å; A60-E63 VanDerWaalsContact O-N 3.1Å; A60-F64 PolarHBondContact O-N 3.24Å | ||
| 61 | P | 96.7 | Very high | 95.9 | Very high | 68 Ų | 68 | 54.6 Ų | 54.6 | 44% | 0.442 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -56.9 | -33.2 | -177.8 | -27.5 | 35.6 | 0 | 0 | 0 | 114.9 | F51 K65 | F51-P61 HydrophobicContact CB-CB 4.41Å; F51-P61 HydrophobicContact CD1-CG 4.3Å; F51-P61 HydrophobicContact CD2-CB 3.85Å; F51-P61 HydrophobicContact CD2-CG 4.16Å; F51-P61 HydrophobicContact CE1-CG 4.29Å; F51-P61 HydrophobicContact CE2-CB 4.2Å; F51-P61 HydrophobicContact CE2-CG 4.13Å; F51-P61 HydrophobicContact CG-CB 4.03Å; F51-P61 HydrophobicContact CG-CG 4.22Å; F51-P61 HydrophobicContact CZ-CG 4.2Å; P61-K65 VanDerWaalsContact O-CB 3.25Å; P61-K65 WeakPolarHBondContact O-CB 3.08Å; P61-K65 PolarHBondContact O-N 3.01Å |
| 62 | E | 96.8 | Very high | 95.8 | Very high | 124 Ų | 124 | 53 Ų | 53 | 58% | 0.579 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -67.3 | -37.5 | 177.3 | 62.6 | -83.3 | -163.2 | 0 | 0 | 112.8 | A60 K65 A66 | A60-E62 VanDerWaalsContact CB-CD 3.48Å; A60-E62 HydrophobicContact CB-CG 4.35Å; A60-E62 WeakPolarHBondContact CB-OE1 3.42Å; A60-E62 PolarHBondContact O-N 3.41Å; E62-K65 PolarHBondContact O-N 2.92Å; E62-A66 VanDerWaalsContact O-CB 3.26Å; E62-A66 WeakPolarHBondContact O-CB 3.42Å; E62-A66 PolarHBondContact O-N 3.14Å |
| 63 | E | 96.5 | Very high | 95.8 | Very high | 67 Ų | 67 | 54.8 Ų | 54.8 | 31% | 0.313 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -69.5 | -45.6 | 176.4 | -73.5 | -60.4 | 151.4 | 0 | 0 | 110.5 | V59 A60 K65 A66 S67 R125 L126 | V59-E63 HydrophobicContact CG2-CB 4.03Å; A60-E63 HydrophobicContact CB-CG 4.46Å; A60-E63 PolarHBondContact O-N 3.35Å; A60-E63 VanDerWaalsContact O-N 3.1Å; E63-K65 VanDerWaalsContact C-N 3.33Å; E63-K65 PolarHBondContact O-N 2.91Å; E63-A66 PolarHBondContact O-N 3.49Å; E63-S67 PolarHBondContact O-N 2.81Å; E63-S67 PolarHBondContact O-OG 2.71Å; E63-S67 VanDerWaalsContact O-OG 3.12Å; E63-R125 IonicContact OE2-NH2 3.45Å; E63-R125 PolarHBondContact OE2-NH2 2.94Å; E63-L126 HydrophobicContact CB-CD2 3.75Å; E63-L126 HydrophobicContact CG-CD2 3.85Å |
| 64 | F | 97.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 51 Ų | 51 | 0% | 0.004 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -54.4 | -51.6 | 173.2 | 174.2 | -89.5 | 0 | 0 | 0 | 111 | V32 E50 F51 P52 L55 A60 A66 S67 I68 W134 I153 | V32-F64 HydrophobicContact CG2-CE2 4.12Å; V32-F64 HydrophobicContact CG2-CZ 4.07Å; E50-F64 VanDerWaalsContact O-CE1 3.28Å; E50-F64 WeakPolarHBondContact O-CE1 3.46Å; F51-F64 HydrophobicContact CD2-CB 3.82Å; F51-F64 AromaticContact CD2-CD1 3.97Å; F51-F64 HydrophobicContact CD2-CD1 3.97Å; F51-F64 AromaticContact CD2-CG 3.86Å; F51-F64 HydrophobicContact CD2-CG 3.86Å; F51-F64 HydrophobicContact CE2-CB 3.97Å; F51-F64 HydrophobicContact CE2-CG 4.3Å; P52-F64 VanDerWaalsContact CD-CZ 3.44Å; P52-F64 HydrophobicContact CG-CE2 3.95Å; P52-F64 HydrophobicContact CG-CZ 4.11Å; L55-F64 HydrophobicContact CD1-CD2 3.82Å; L55-F64 HydrophobicContact CD1-CE2 4.06Å; A60-F64 PolarHBondContact O-N 3.24Å; F64-A66 VanDerWaalsContact C-N 3.32Å; F64-A66 PolarHBondContact O-N 3.46Å; F64-S67 PolarHBondContact O-N 2.84Å; F64-I68 HydrophobicContact CD1-CG1 4.34Å; F64-I68 HydrophobicContact CE1-CG1 3.84Å; F64-I68 HydrophobicContact CE2-CG1 4.15Å; F64-I68 HydrophobicContact CZ-CD1 4.25Å; F64-I68 HydrophobicContact CZ-CG1 3.72Å; F64-I68 PolarHBondContact O-N 2.83Å; F64-W134 AromaticContact CD2-CH2 3.42Å; F64-W134 HydrophobicContact CD2-CH2 3.42Å; F64-W134 VanDerWaalsContact CD2-CH2 3.42Å; F64-W134 AromaticContact CD2-CZ2 3.51Å; F64-W134 HydrophobicContact CD2-CZ2 3.51Å; F64-W134 AromaticContact CE2-CH2 3.48Å; F64-W134 HydrophobicContact CE2-CH2 3.48Å; F64-W134 VanDerWaalsContact CE2-CH2 3.48Å; F64-W134 AromaticContact CE2-CZ2 3.83Å; F64-W134 HydrophobicContact CE2-CZ2 3.83Å; F64-W134 HydrophobicContact CE2-CZ3 4.5Å; F64-W134 HydrophobicContact CG-CH2 4.31Å; F64-W134 HydrophobicContact CZ-CH2 4.41Å; F64-I153 HydrophobicContact CD2-CD1 4.42Å; F64-I153 HydrophobicContact CE2-CD1 3.88Å |
| 65 | K | 97.2 | Very high | 95.7 | Very high | 118 Ų | 118 | 47.2 Ų | 47.2 | 51% | 0.513 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.5 | -39.2 | -179.3 | -172.7 | 173.2 | -176 | 176 | 0 | 111.4 | P61 E62 E63 N69 | P61-K65 VanDerWaalsContact O-CB 3.25Å; P61-K65 WeakPolarHBondContact O-CB 3.08Å; P61-K65 PolarHBondContact O-N 3.01Å; E62-K65 PolarHBondContact O-N 2.92Å; E63-K65 VanDerWaalsContact C-N 3.33Å; E63-K65 PolarHBondContact O-N 2.91Å; K65-N69 WeakPolarHBondContact O-CB 3.37Å; K65-N69 PolarHBondContact O-N 3.28Å; K65-N69 PolarHBondContact O-ND2 3.28Å |
| 66 | A | 96.9 | Very high | 95.4 | Very high | 28 Ų | 28 | 55.4 Ų | 55.4 | 23% | 0.231 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.3 | -47.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E62 E63 F64 N69 R70 | E62-A66 VanDerWaalsContact O-CB 3.26Å; E62-A66 WeakPolarHBondContact O-CB 3.42Å; E62-A66 PolarHBondContact O-N 3.14Å; E63-A66 PolarHBondContact O-N 3.49Å; F64-A66 VanDerWaalsContact C-N 3.32Å; F64-A66 PolarHBondContact O-N 3.46Å; A66-N69 PolarHBondContact O-N 3.24Å; A66-R70 WeakPolarHBondContact O-CG 3.34Å; A66-R70 PolarHBondContact O-N 2.81Å |
| 67 | S | 97.1 | Very high | 95 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.007 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 178.9 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | E63 F64 N69 R70 V71 E122 Y127 | E63-S67 PolarHBondContact O-N 2.81Å; E63-S67 PolarHBondContact O-OG 2.71Å; E63-S67 VanDerWaalsContact O-OG 3.12Å; F64-S67 PolarHBondContact O-N 2.84Å; S67-N69 VanDerWaalsContact C-N 3.32Å; S67-N69 PolarHBondContact O-N 3.34Å; S67-R70 WeakPolarHBondContact O-CB 3.28Å; S67-R70 PolarHBondContact O-N 3.16Å; S67-R70 VanDerWaalsContact O-N 3.15Å; S67-V71 PolarHBondContact O-N 2.64Å; S67-V71 VanDerWaalsContact O-N 3.1Å; S67-E122 VanDerWaalsContact OG-CD 3.22Å; S67-E122 PolarHBondContact OG-OE2 3.02Å; S67-Y127 WeakPolarHBondContact CB-OH 3.41Å; S67-Y127 WeakPolarHBondContact OG-CE2 3.35Å; S67-Y127 PolarHBondContact OG-OH 3.02Å |
| 68 | I | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.9 | -40.3 | 175.5 | -70.4 | -68.4 | 0 | 0 | 0 | 111.6 | V32 F64 R70 V71 N72 W134 I151 | V32-I68 HydrophobicContact CG1-CD1 4.05Å; F64-I68 HydrophobicContact CD1-CG1 4.34Å; F64-I68 HydrophobicContact CE1-CG1 3.84Å; F64-I68 HydrophobicContact CE2-CG1 4.15Å; F64-I68 HydrophobicContact CZ-CD1 4.25Å; F64-I68 HydrophobicContact CZ-CG1 3.72Å; F64-I68 PolarHBondContact O-N 2.83Å; I68-R70 VanDerWaalsContact C-N 3.31Å; I68-R70 PolarHBondContact O-N 2.87Å; I68-V71 PolarHBondContact O-N 2.87Å; I68-N72 WeakPolarHBondContact CG2-ND2 3.44Å; I68-N72 WeakPolarHBondContact O-CB 3.31Å; I68-N72 PolarHBondContact O-N 2.82Å; I68-W134 HydrophobicContact CD1-CH2 4.01Å; I68-W134 HydrophobicContact CD1-CZ3 3.57Å; I68-W134 HydrophobicContact CG1-CH2 3.93Å; I68-W134 HydrophobicContact CG1-CZ3 3.93Å; I68-I151 HydrophobicContact CD1-CD1 3.89Å |
| 69 | N | 97 | Very high | 93.6 | Very high | 72 Ų | 72 | 52.1 Ų | 52.1 | 39% | 0.385 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.5 | -33.8 | 177.2 | -77.3 | -26.7 | 0 | 0 | 0 | 112.8 | K65 A66 S67 S73 | K65-N69 WeakPolarHBondContact O-CB 3.37Å; K65-N69 PolarHBondContact O-N 3.28Å; K65-N69 PolarHBondContact O-ND2 3.28Å; A66-N69 PolarHBondContact O-N 3.24Å; S67-N69 VanDerWaalsContact C-N 3.32Å; S67-N69 PolarHBondContact O-N 3.34Å; N69-S73 VanDerWaalsContact O-CB 3.3Å; N69-S73 WeakPolarHBondContact O-CB 3.3Å; N69-S73 PolarHBondContact O-N 3.31Å; N69-S73 PolarHBondContact O-OG 3.06Å |
| 70 | R | 96.3 | Very high | 92.7 | Very high | 85 Ų | 85 | 55.2 Ų | 55.2 | 32% | 0.321 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.4 | -42.9 | 172.7 | -67.7 | -179 | -164.4 | 97.5 | 6.8 | 111.1 | A66 S67 I68 S73 C74 L118 E122 R125 | A66-R70 WeakPolarHBondContact O-CG 3.34Å; A66-R70 PolarHBondContact O-N 2.81Å; S67-R70 WeakPolarHBondContact O-CB 3.28Å; S67-R70 PolarHBondContact O-N 3.16Å; S67-R70 VanDerWaalsContact O-N 3.15Å; I68-R70 VanDerWaalsContact C-N 3.31Å; I68-R70 PolarHBondContact O-N 2.87Å; R70-S73 WeakPolarHBondContact O-CB 3.35Å; R70-S73 PolarHBondContact O-N 2.7Å; R70-C74 PolarHBondContact O-N 3.37Å; R70-L118 HydrophobicContact CB-CD1 4.29Å; R70-L118 HydrophobicContact CB-CD2 3.95Å; R70-E122 VanDerWaalsContact CD-OE1 3.29Å; R70-E122 WeakPolarHBondContact CD-OE1 3.25Å; R70-E122 IonicContact CZ-OE1 3.49Å; R70-E122 IonicContact NE-OE1 3.69Å; R70-E122 IonicContact NH1-OE1 2.68Å; R70-E122 PolarHBondContact NH1-OE1 3.22Å; R70-E122 IonicContact NH1-OE2 2.71Å; R70-R125 VanDerWaalsContact NH1-NH2 3.13Å |
| 71 | V | 96.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.7 | -49.6 | 174.5 | 177.5 | 0 | 0 | 0 | 0 | 110.7 | F47 S67 I68 S73 C74 L75 I115 L118 L119 I151 | F47-V71 HydrophobicContact CD2-CG1 3.83Å; F47-V71 HydrophobicContact CE2-CG1 4.1Å; S67-V71 PolarHBondContact O-N 2.64Å; S67-V71 VanDerWaalsContact O-N 3.1Å; I68-V71 PolarHBondContact O-N 2.87Å; V71-S73 VanDerWaalsContact C-N 3.27Å; V71-S73 PolarHBondContact O-N 2.86Å; V71-C74 WeakPolarHBondContact O-CA 3.43Å; V71-C74 VanDerWaalsContact O-CB 3.29Å; V71-C74 WeakPolarHBondContact O-CB 3.11Å; V71-C74 PolarHBondContact O-N 3.24Å; V71-L75 HydrophobicContact CG1-CD1 4.31Å; V71-L75 PolarHBondContact O-N 3.22Å; V71-I115 HydrophobicContact CG1-CG1 4.5Å; V71-I115 HydrophobicContact CG1-CG2 4.05Å; V71-L118 HydrophobicContact CB-CD2 4.3Å; V71-L118 HydrophobicContact CG2-CD2 3.76Å; V71-L119 HydrophobicContact CG2-CD2 3.97Å; V71-I151 HydrophobicContact CG1-CD1 4.21Å |
| 72 | N | 96.1 | Very high | 90.9 | Very high | 19 Ų | 19 | 53.6 Ų | 53.6 | 10% | 0.102 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.8 | -34.4 | 178.2 | -76.1 | -24.3 | 0 | 0 | 0 | 112.4 | K46 F47 I68 L75 K76 | K46-N72 WeakPolarHBondContact CA-OD1 3.4Å; F47-N72 PolarHBondContact N-OD1 3.15Å; F47-N72 PolarHBondContact O-ND2 3.36Å; F47-N72 VanDerWaalsContact O-ND2 3.08Å; I68-N72 WeakPolarHBondContact CG2-ND2 3.44Å; I68-N72 WeakPolarHBondContact O-CB 3.31Å; I68-N72 PolarHBondContact O-N 2.82Å; N72-L75 PolarHBondContact O-N 3.02Å; N72-K76 WeakPolarHBondContact O-CB 3.39Å; N72-K76 PolarHBondContact O-N 3.21Å |
| 73 | S | 94.5 | Very high | 90 | Very high | 63 Ų | 63 | 49.8 Ų | 49.8 | 44% | 0.441 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.5 | -38.2 | 173.3 | -64.1 | 0 | 0 | 0 | 0 | 112.4 | N69 R70 V71 K77 | N69-S73 VanDerWaalsContact O-CB 3.3Å; N69-S73 WeakPolarHBondContact O-CB 3.3Å; N69-S73 PolarHBondContact O-N 3.31Å; N69-S73 PolarHBondContact O-OG 3.06Å; R70-S73 WeakPolarHBondContact O-CB 3.35Å; R70-S73 PolarHBondContact O-N 2.7Å; V71-S73 VanDerWaalsContact C-N 3.27Å; V71-S73 PolarHBondContact O-N 2.86Å; S73-K77 WeakPolarHBondContact O-CG 3.47Å; S73-K77 PolarHBondContact O-N 3.28Å |
| 74 | C | 92.5 | Very high | 89.3 | Confident | 17 Ų | 17 | 56.1 Ų | 56.1 | 12% | 0.115 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63 | -45 | 172.6 | -176.3 | 0 | 0 | 0 | 0 | 111.3 | R70 V71 K77 N78 S114 | R70-C74 PolarHBondContact O-N 3.37Å; V71-C74 WeakPolarHBondContact O-CA 3.43Å; V71-C74 VanDerWaalsContact O-CB 3.29Å; V71-C74 WeakPolarHBondContact O-CB 3.11Å; V71-C74 PolarHBondContact O-N 3.24Å; C74-K77 PolarHBondContact O-N 3.31Å; C74-N78 PolarHBondContact O-N 2.8Å; C74-N78 PolarHBondContact O-ND2 2.94Å; C74-S114 PolarHBondContact SG-OG 3.38Å |
| 75 | L | 92.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.9 | -48.7 | 176.9 | -72 | 169.6 | 0 | 0 | 0 | 112.1 | L43 F47 V71 N72 K77 N78 L79 T111 I115 | L43-L75 HydrophobicContact CD1-CD2 4.27Å; L43-L75 HydrophobicContact CD2-CD2 3.79Å; L43-L75 HydrophobicContact CG-CD2 3.96Å; F47-L75 HydrophobicContact CD2-CD1 3.65Å; F47-L75 HydrophobicContact CE2-CD1 3.78Å; V71-L75 HydrophobicContact CG1-CD1 4.31Å; V71-L75 PolarHBondContact O-N 3.22Å; N72-L75 PolarHBondContact O-N 3.02Å; L75-K77 PolarHBondContact O-N 3.36Å; L75-N78 PolarHBondContact O-N 3.42Å; L75-L79 WeakPolarHBondContact O-CB 3.44Å; L75-L79 PolarHBondContact O-N 3.08Å; L75-T111 HydrophobicContact CD2-CG2 4.27Å; L75-I115 HydrophobicContact CD2-CD1 3.55Å; L75-I115 HydrophobicContact CG-CD1 4.08Å |
| 76 | K | 88.6 | Confident | 87.8 | Confident | 171 Ų | 171 | 58.6 Ų | 58.6 | 74% | 0.743 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -57.6 | -35.2 | -179.9 | -172.6 | 177.2 | -179.1 | -180 | 0 | 112.8 | N72 P80 | N72-K76 WeakPolarHBondContact O-CB 3.39Å; N72-K76 PolarHBondContact O-N 3.21Å; K76-P80 VanDerWaalsContact O-CD 3.25Å; K76-P80 WeakPolarHBondContact O-CD 3.27Å |
| 77 | K | 86.1 | Confident | 87 | Confident | 160 Ų | 160 | 62.4 Ų | 62.4 | 70% | 0.696 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -74.4 | -38.5 | 179.1 | -71.9 | 175.3 | -178.7 | -178.6 | 0 | 112.9 | S73 C74 L75 | S73-K77 WeakPolarHBondContact O-CG 3.47Å; S73-K77 PolarHBondContact O-N 3.28Å; C74-K77 PolarHBondContact O-N 3.31Å; L75-K77 PolarHBondContact O-N 3.36Å |
| 78 | N | 79.9 | Confident | 86.3 | Confident | 43 Ų | 43 | 65.3 Ų | 65.3 | 23% | 0.23 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -96.5 | -35.9 | -169.6 | -70.3 | -81.8 | 0 | 0 | 0 | 113.7 | C74 L75 V81 N82 T111 | C74-N78 PolarHBondContact O-N 2.8Å; C74-N78 PolarHBondContact O-ND2 2.94Å; L75-N78 PolarHBondContact O-N 3.42Å; N78-V81 WeakPolarHBondContact O-CB 3.46Å; N78-V81 PolarHBondContact O-N 3.27Å; N78-N82 PolarHBondContact O-N 3.2Å; N78-N82 VanDerWaalsContact O-N 3.15Å; N78-N82 PolarHBondContact O-OD1 2.99Å; N78-N82 VanDerWaalsContact O-OD1 3.1Å; N78-T111 HydrophobicContact CB-CG2 3.88Å |
| 79 | L | 77 | Confident | 85.4 | Confident | 7 Ų | 7 | 65.5 Ų | 65.5 | 4% | 0.037 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.8 | -38.7 | -172.4 | -145.1 | 79.6 | 0 | 0 | 0 | 115.9 | V38 V40 N45 L75 V81 N82 V83 | V38-L79 HydrophobicContact CG1-CD2 4.11Å; V40-L79 HydrophobicContact CB-CD1 4.16Å; V40-L79 HydrophobicContact CG2-CD1 4.19Å; V40-L79 HydrophobicContact CG2-CD2 4.11Å; V40-L79 HydrophobicContact CG2-CG 4.1Å; N45-L79 HydrophobicContact CB-CD2 3.19Å; L75-L79 WeakPolarHBondContact O-CB 3.44Å; L75-L79 PolarHBondContact O-N 3.08Å; L79-V81 PolarHBondContact O-N 3.39Å; L79-N82 WeakPolarHBondContact O-CB 3.26Å; L79-N82 PolarHBondContact O-N 2.93Å; L79-N82 VanDerWaalsContact O-N 3.1Å; L79-V83 WeakPolarHBondContact O-CG2 3.43Å; L79-V83 PolarHBondContact O-N 3.1Å |
| 80 | P | 77.2 | Confident | 84.5 | Confident | 77 Ų | 77 | 65.2 Ų | 65.2 | 50% | 0.5 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.9 | -32.6 | 178 | 24.3 | -33.5 | 0 | 0 | 0 | 112.2 | K76 R84 | K76-P80 VanDerWaalsContact O-CD 3.25Å; K76-P80 WeakPolarHBondContact O-CD 3.27Å; P80-R84 WeakPolarHBondContact O-CB 3.35Å; P80-R84 PolarHBondContact O-N 2.73Å |
| 81 | V | 78.4 | Confident | 83.8 | Confident | 68 Ų | 68 | 68 Ų | 68 | 41% | 0.412 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.6 | -50 | 172.4 | -179.8 | 0 | 0 | 0 | 0 | 109 | N78 L79 V83 R84 W85 | N78-V81 WeakPolarHBondContact O-CB 3.46Å; N78-V81 PolarHBondContact O-N 3.27Å; L79-V81 PolarHBondContact O-N 3.39Å; V81-V83 VanDerWaalsContact C-N 3.32Å; V81-V83 PolarHBondContact O-N 3.15Å; V81-R84 PolarHBondContact O-N 3.29Å; V81-W85 PolarHBondContact O-N 2.95Å |
| 82 | N | 77.6 | Confident | 82.8 | Confident | 3 Ų | 3 | 70.6 Ų | 70.6 | 2% | 0.016 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.7 | -42.7 | 179 | -60.7 | 2.2 | 0 | 0 | 0 | 112.4 | N78 L79 W85 L86 L107 T111 | N78-N82 PolarHBondContact O-N 3.2Å; N78-N82 VanDerWaalsContact O-N 3.15Å; N78-N82 PolarHBondContact O-OD1 2.99Å; N78-N82 VanDerWaalsContact O-OD1 3.1Å; L79-N82 WeakPolarHBondContact O-CB 3.26Å; L79-N82 PolarHBondContact O-N 2.93Å; L79-N82 VanDerWaalsContact O-N 3.1Å; N82-W85 PolarHBondContact O-N 3.4Å; N82-L86 VanDerWaalsContact O-CB 3.31Å; N82-L86 WeakPolarHBondContact O-CB 3.48Å; N82-L86 PolarHBondContact O-N 3.4Å; N82-L107 WeakPolarHBondContact OD1-CB 3.48Å; N82-T111 PolarHBondContact ND2-OG1 2.83Å |
| 83 | V | 77.7 | Confident | 81.6 | Confident | 44 Ų | 44 | 71.9 Ų | 71.9 | 27% | 0.267 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.4 | -43.2 | 178.2 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | V38 V40 L79 V81 W85 L86 L87 | V38-V83 HydrophobicContact CG1-CG2 4.18Å; V40-V83 HydrophobicContact CG2-CG2 3.73Å; L79-V83 WeakPolarHBondContact O-CG2 3.43Å; L79-V83 PolarHBondContact O-N 3.1Å; V81-V83 VanDerWaalsContact C-N 3.32Å; V81-V83 PolarHBondContact O-N 3.15Å; V83-W85 VanDerWaalsContact C-N 3.34Å; V83-W85 PolarHBondContact O-N 2.89Å; V83-L86 WeakPolarHBondContact O-CB 3.38Å; V83-L86 PolarHBondContact O-N 3.12Å; V83-L87 HydrophobicContact CG1-CD1 4.24Å; V83-L87 HydrophobicContact CG1-CG 4.49Å; V83-L87 WeakPolarHBondContact O-CG 2.99Å; V83-L87 PolarHBondContact O-N 3.39Å |
| 84 | R | 82 | Confident | 80.5 | Confident | 201 Ų | 201 | 74.8 Ų | 74.8 | 76% | 0.758 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.8 | -42.7 | 177.3 | -174.1 | 176.4 | 179.3 | 168.4 | -0.1 | 111.9 | P80 V81 C88 | P80-R84 WeakPolarHBondContact O-CB 3.35Å; P80-R84 PolarHBondContact O-N 2.73Å; V81-R84 PolarHBondContact O-N 3.29Å; R84-C88 WeakPolarHBondContact O-CB 3.4Å; R84-C88 PolarHBondContact O-N 3.36Å; R84-C88 VanDerWaalsContact O-N 3.1Å |
| 85 | W | 82 | Confident | 79.6 | Confident | 128 Ų | 128 | 79.4 Ų | 79.4 | 49% | 0.485 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68.4 | -36.4 | 175.1 | -77.7 | 99.2 | 0 | 0 | 0 | 112.2 | V81 N82 V83 C88 G89 P103 V104 L107 | V81-W85 PolarHBondContact O-N 2.95Å; N82-W85 PolarHBondContact O-N 3.4Å; V83-W85 VanDerWaalsContact C-N 3.34Å; V83-W85 PolarHBondContact O-N 2.89Å; W85-C88 PolarHBondContact O-N 3.02Å; W85-G89 PolarHBondContact O-N 3.03Å; W85-P103 HydrophobicContact CE3-CB 4.18Å; W85-V104 HydrophobicContact CB-CG2 4.22Å; W85-V104 VanDerWaalsContact O-CG2 3.29Å; W85-V104 WeakPolarHBondContact O-CG2 3.41Å; W85-L107 HydrophobicContact CB-CD1 3.53Å; W85-L107 HydrophobicContact CD2-CD1 4.13Å; W85-L107 HydrophobicContact CG-CD1 3.37Å |
| 86 | L | 80.2 | Confident | 78.6 | Confident | 42 Ų | 42 | 81.9 Ų | 81.9 | 22% | 0.22 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -60.2 | -48.7 | 174.3 | 177.5 | 66.4 | 0 | 0 | 0 | 111.2 | F41 N82 V83 C88 G89 C90 M101 V104 | F41-L86 HydrophobicContact CZ-CD1 4.19Å; N82-L86 VanDerWaalsContact O-CB 3.31Å; N82-L86 WeakPolarHBondContact O-CB 3.48Å; N82-L86 PolarHBondContact O-N 3.4Å; V83-L86 WeakPolarHBondContact O-CB 3.38Å; V83-L86 PolarHBondContact O-N 3.12Å; L86-C88 PolarHBondContact O-N 3.22Å; L86-G89 PolarHBondContact O-N 2.74Å; L86-C90 PolarHBondContact O-N 2.71Å; L86-C90 PolarHBondContact O-SG 2.85Å; L86-M101 HydrophobicContact CD1-CE 3.67Å; L86-V104 HydrophobicContact CB-CG1 3.76Å; L86-V104 HydrophobicContact CD1-CG1 3.71Å; L86-V104 HydrophobicContact CG-CG1 4.31Å |
| 87 | L | 81.5 | Confident | 78.1 | Confident | 108 Ų | 108 | 82.2 Ų | 82.2 | 57% | 0.565 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -61.6 | -44.6 | 178.2 | -68.7 | 173.6 | 0 | 0 | 0 | 111.7 | V83 C90 L91 | V83-L87 HydrophobicContact CG1-CD1 4.24Å; V83-L87 HydrophobicContact CG1-CG 4.49Å; V83-L87 WeakPolarHBondContact O-CG 2.99Å; V83-L87 PolarHBondContact O-N 3.39Å; L87-C90 PolarHBondContact O-N 3.37Å; L87-L91 WeakPolarHBondContact O-CD1 3.49Å; L87-L91 WeakPolarHBondContact O-CG 3.4Å; L87-L91 PolarHBondContact O-N 2.84Å |
| 88 | C | 81.4 | Confident | 77.4 | Confident | 63 Ų | 63 | 75.9 Ų | 75.9 | 43% | 0.426 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 174.4 | -173.8 | 0 | 0 | 0 | 0 | 111.9 | R84 W85 L86 C90 L91 C92 | R84-C88 WeakPolarHBondContact O-CB 3.4Å; R84-C88 PolarHBondContact O-N 3.36Å; R84-C88 VanDerWaalsContact O-N 3.1Å; W85-C88 PolarHBondContact O-N 3.02Å; L86-C88 PolarHBondContact O-N 3.22Å; C88-C90 PolarHBondContact O-N 3.12Å; C88-L91 PolarHBondContact O-N 3.37Å; C88-C92 PolarHBondContact O-N 3.04Å; C88-C92 PolarHBondContact O-SG 3.07Å |
| 89 | G | 77.8 | Confident | 77.1 | Confident | 3 Ų | 3 | 78.2 Ų | 78.2 | 3% | 0.031 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | W85 L86 C92 C93 S100 | W85-G89 PolarHBondContact O-N 3.03Å; L86-G89 PolarHBondContact O-N 2.74Å; G89-C92 CarbonylContact O-C 3.5Å; G89-C92 PolarHBondContact O-N 3.3Å; G89-C93 WeakPolarHBondContact O-CA 3.36Å; G89-C93 WeakPolarHBondContact O-CB 3.44Å; G89-C93 PolarHBondContact O-N 3.32Å; G89-S100 PolarHBondContact O-OG 3.41Å |
| 90 | C | 79.5 | Confident | 76.9 | Confident | 67 Ų | 67 | 78.9 Ų | 78.9 | 45% | 0.453 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 176.5 | -69.5 | 0 | 0 | 0 | 0 | 112.3 | L86 L87 C88 C92 C93 | L86-C90 PolarHBondContact O-N 2.71Å; L86-C90 PolarHBondContact O-SG 2.85Å; L87-C90 PolarHBondContact O-N 3.37Å; C88-C90 PolarHBondContact O-N 3.12Å; C90-C92 VanDerWaalsContact C-N 3.28Å; C90-C92 PolarHBondContact O-N 2.81Å; C90-C93 VanDerWaalsContact O-CB 3.24Å; C90-C93 WeakPolarHBondContact O-CB 3.43Å; C90-C93 PolarHBondContact O-N 3.28Å |
| 91 | L | 81 | Confident | 76.6 | Confident | 144 Ų | 144 | 77.3 Ų | 77.3 | 75% | 0.754 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -60.3 | -38.2 | 176.9 | -78 | 157.7 | 0 | 0 | 0 | 112 | L87 C88 | L87-L91 WeakPolarHBondContact O-CD1 3.49Å; L87-L91 WeakPolarHBondContact O-CG 3.4Å; L87-L91 PolarHBondContact O-N 2.84Å; C88-L91 PolarHBondContact O-N 3.37Å |
| 92 | C | 75.3 | Confident | 76.6 | Confident | 54 Ų | 54 | 81.9 Ų | 81.9 | 37% | 0.365 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 2.1 | -179.9 | -62.8 | 0 | 0 | 0 | 0 | 114 | C88 G89 C90 C94 C95 T96 | C88-C92 PolarHBondContact O-N 3.04Å; C88-C92 PolarHBondContact O-SG 3.07Å; G89-C92 CarbonylContact O-C 3.5Å; G89-C92 PolarHBondContact O-N 3.3Å; C90-C92 VanDerWaalsContact C-N 3.28Å; C90-C92 PolarHBondContact O-N 2.81Å; C92-C94 VanDerWaalsContact C-N 3.31Å; C92-C94 PolarHBondContact O-N 2.93Å; C92-C95 PolarHBondContact O-N 3.48Å; C92-C95 VanDerWaalsContact O-N 3.11Å; C92-T96 PolarHBondContact O-N 3.47Å; C92-T96 PolarHBondContact O-OG1 3.29Å |
| 93 | C | 72 | Confident | 76.6 | Confident | 47 Ų | 47 | 84.1 Ų | 84.1 | 32% | 0.318 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -60.9 | -40.1 | -170.9 | -173.1 | 0 | 0 | 0 | 0 | 111.9 | G89 C90 C95 T96 G98 S100 | G89-C93 WeakPolarHBondContact O-CA 3.36Å; G89-C93 WeakPolarHBondContact O-CB 3.44Å; G89-C93 PolarHBondContact O-N 3.32Å; C90-C93 VanDerWaalsContact O-CB 3.24Å; C90-C93 WeakPolarHBondContact O-CB 3.43Å; C90-C93 PolarHBondContact O-N 3.28Å; C93-C95 VanDerWaalsContact C-N 3.26Å; C93-C95 PolarHBondContact O-N 2.84Å; C93-T96 PolarHBondContact O-N 3.34Å; C93-G98 PolarHBondContact O-N 3.48Å; C93-S100 WeakPolarHBondContact CA-OG 3.22Å |
| 94 | C | 70.5 | Confident | 76.5 | Confident | 124 Ų | 124 | 82 Ų | 82 | 84% | 0.838 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -66.9 | -25.5 | 179.5 | -57.5 | 0 | 0 | 0 | 0 | 113.3 | C92 | C92-C94 VanDerWaalsContact C-N 3.31Å; C92-C94 PolarHBondContact O-N 2.93Å |
| 95 | C | 74 | Confident | 76.4 | Confident | 113 Ų | 113 | 75.5 Ų | 75.5 | 76% | 0.764 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -91.5 | -13 | -174.3 | -56 | 0 | 0 | 0 | 0 | 113.5 | C92 C93 | C92-C95 PolarHBondContact O-N 3.48Å; C92-C95 VanDerWaalsContact O-N 3.11Å; C93-C95 VanDerWaalsContact C-N 3.26Å; C93-C95 PolarHBondContact O-N 2.84Å |
| 96 | T | 71.1 | Confident | 76.4 | Confident | 53 Ų | 53 | 71.7 Ų | 71.7 | 33% | 0.325 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.2 | 15.4 | -170.1 | 60.6 | 0 | 0 | 0 | 0 | 113.5 | C92 C93 G98 C99 S100 | C92-T96 PolarHBondContact O-N 3.47Å; C92-T96 PolarHBondContact O-OG1 3.29Å; C93-T96 PolarHBondContact O-N 3.34Å; T96-G98 PolarHBondContact O-N 3.12Å; T96-G98 VanDerWaalsContact O-N 3.11Å; T96-C99 VanDerWaalsContact O-CB 3.22Å; T96-C99 WeakPolarHBondContact O-CB 3.23Å; T96-C99 PolarHBondContact O-N 3Å; T96-C99 PolarHBondContact O-SG 2.9Å; T96-C99 VanDerWaalsContact O-SG 3.36Å; T96-S100 WeakPolarHBondContact OG1-CB 3.35Å; T96-S100 PolarHBondContact OG1-N 2.85Å; T96-S100 PolarHBondContact OG1-OG 3.27Å |
| 97 | L | 77 | Confident | 76.3 | Confident | 178 Ų | 178 | 71.3 Ų | 71.3 | 93% | 0.932 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 33.7 | -173.8 | -62.5 | 172.7 | 0 | 0 | 0 | 112.4 | C99 | L97-C99 VanDerWaalsContact C-N 3.35Å; L97-C99 PolarHBondContact O-N 2.95Å |
| 98 | G | 72.4 | Confident | 76.4 | Confident | 27 Ų | 27 | 66.4 Ų | 66.4 | 28% | 0.278 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | -1.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | C93 T96 S100 M101 | C93-G98 PolarHBondContact O-N 3.48Å; T96-G98 PolarHBondContact O-N 3.12Å; T96-G98 VanDerWaalsContact O-N 3.11Å; G98-S100 PolarHBondContact O-N 3.41Å; G98-M101 WeakPolarHBondContact O-CB 3.36Å; G98-M101 PolarHBondContact O-N 2.84Å |
| 99 | C | 72.6 | Confident | 76.7 | Confident | 92 Ų | 92 | 67.1 Ų | 67.1 | 62% | 0.622 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -60.2 | -26.6 | 175.7 | -68.6 | 0 | 0 | 0 | 0 | 112.8 | T96 L97 M101 W102 | T96-C99 VanDerWaalsContact O-CB 3.22Å; T96-C99 WeakPolarHBondContact O-CB 3.23Å; T96-C99 PolarHBondContact O-N 3Å; T96-C99 PolarHBondContact O-SG 2.9Å; T96-C99 VanDerWaalsContact O-SG 3.36Å; L97-C99 VanDerWaalsContact C-N 3.35Å; L97-C99 PolarHBondContact O-N 2.95Å; C99-M101 PolarHBondContact O-N 3.2Å; C99-M101 VanDerWaalsContact O-N 3.09Å; C99-W102 WeakPolarHBondContact O-CB 3.46Å; C99-W102 PolarHBondContact O-N 2.83Å; C99-W102 VanDerWaalsContact O-N 3.12Å |
| 100 | S | 73.6 | Confident | 77.3 | Confident | 21 Ų | 21 | 75.4 Ų | 75.4 | 15% | 0.147 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -61.2 | -13.7 | 174 | 62 | 0 | 0 | 0 | 0 | 114.2 | G89 C93 T96 G98 P103 | G89-S100 PolarHBondContact O-OG 3.41Å; C93-S100 WeakPolarHBondContact CA-OG 3.22Å; T96-S100 WeakPolarHBondContact OG1-CB 3.35Å; T96-S100 PolarHBondContact OG1-N 2.85Å; T96-S100 PolarHBondContact OG1-OG 3.27Å; G98-S100 PolarHBondContact O-N 3.41Å; S100-P103 WeakPolarHBondContact O-CD 3.39Å |
| 101 | M | 71.9 | Confident | 77.8 | Confident | 43 Ų | 43 | 72.2 Ų | 72.2 | 21% | 0.212 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -87.1 | -15.2 | 177.7 | -62.5 | -62.8 | -73.9 | 0 | 0 | 113.2 | L86 G98 C99 V104 I105 | L86-M101 HydrophobicContact CD1-CE 3.67Å; G98-M101 WeakPolarHBondContact O-CB 3.36Å; G98-M101 PolarHBondContact O-N 2.84Å; C99-M101 PolarHBondContact O-N 3.2Å; C99-M101 VanDerWaalsContact O-N 3.09Å; M101-V104 WeakPolarHBondContact O-CB 3.4Å; M101-V104 PolarHBondContact O-N 2.92Å; M101-V104 VanDerWaalsContact O-N 3.13Å; M101-I105 WeakPolarHBondContact O-CG1 3.43Å; M101-I105 PolarHBondContact O-N 3Å |
| 102 | W | 77.3 | Confident | 78.4 | Confident | 165 Ų | 165 | 68.1 Ų | 68.1 | 63% | 0.625 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -59.2 | -45.3 | 179.1 | -178.1 | -101.6 | 0 | 0 | 0 | 113.9 | C99 V104 I105 C106 | C99-W102 WeakPolarHBondContact O-CB 3.46Å; C99-W102 PolarHBondContact O-N 2.83Å; C99-W102 VanDerWaalsContact O-N 3.12Å; W102-V104 PolarHBondContact O-N 3.37Å; W102-I105 PolarHBondContact O-N 3.05Å; W102-C106 VanDerWaalsContact CE2-SG 3.56Å; W102-C106 PolarHBondContact NE1-SG 3.42Å; W102-C106 VanDerWaalsContact NE1-SG 3.39Å; W102-C106 WeakPolarHBondContact O-CB 3.49Å; W102-C106 PolarHBondContact O-N 3.3Å; W102-C106 PolarHBondContact O-SG 2.88Å; W102-C106 VanDerWaalsContact O-SG 3.41Å |
| 103 | P | 77.4 | Confident | 79.3 | Confident | 49 Ų | 49 | 73.4 Ų | 73.4 | 32% | 0.318 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -55.8 | -38.9 | 174.6 | -25.4 | 35.2 | 0 | 0 | 0 | 112.3 | W85 S100 C106 L107 | W85-P103 HydrophobicContact CE3-CB 4.18Å; S100-P103 WeakPolarHBondContact O-CD 3.39Å; P103-C106 PolarHBondContact O-N 2.68Å; P103-L107 VanDerWaalsContact O-CB 3.32Å; P103-L107 WeakPolarHBondContact O-CB 3.4Å; P103-L107 WeakPolarHBondContact O-CG 3.42Å; P103-L107 PolarHBondContact O-N 2.76Å |
| 104 | V | 76.7 | Confident | 80.3 | Confident | 1 Ų | 1 | 73.6 Ų | 73.6 | 1% | 0.006 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -68.2 | -43.7 | -178.5 | -173.4 | 0 | 0 | 0 | 0 | 111.2 | F41 W85 L86 M101 W102 L107 S108 | F41-V104 HydrophobicContact CE2-CG1 3.64Å; F41-V104 HydrophobicContact CZ-CG1 3.9Å; W85-V104 HydrophobicContact CB-CG2 4.22Å; W85-V104 VanDerWaalsContact O-CG2 3.29Å; W85-V104 WeakPolarHBondContact O-CG2 3.41Å; L86-V104 HydrophobicContact CB-CG1 3.76Å; L86-V104 HydrophobicContact CD1-CG1 3.71Å; L86-V104 HydrophobicContact CG-CG1 4.31Å; M101-V104 WeakPolarHBondContact O-CB 3.4Å; M101-V104 PolarHBondContact O-N 2.92Å; M101-V104 VanDerWaalsContact O-N 3.13Å; W102-V104 PolarHBondContact O-N 3.37Å; V104-L107 PolarHBondContact O-N 2.98Å; V104-S108 PolarHBondContact O-N 2.92Å |
| 105 | I | 78.3 | Confident | 81.5 | Confident | 64 Ų | 64 | 67.7 Ų | 67.7 | 33% | 0.328 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 174.6 | -65.1 | 165.4 | 0 | 0 | 0 | 110.3 | M101 W102 L107 S108 K109 | M101-I105 WeakPolarHBondContact O-CG1 3.43Å; M101-I105 PolarHBondContact O-N 3Å; W102-I105 PolarHBondContact O-N 3.05Å; I105-L107 PolarHBondContact O-N 3.32Å; I105-S108 PolarHBondContact O-N 3.43Å; I105-K109 HydrophobicContact CG2-CD 4.21Å; I105-K109 WeakPolarHBondContact O-CB 3.42Å; I105-K109 WeakPolarHBondContact O-CG 3.2Å; I105-K109 PolarHBondContact O-N 3.03Å |
| 106 | C | 81.8 | Confident | 82.6 | Confident | 48 Ų | 48 | 66.5 Ų | 66.5 | 32% | 0.324 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 177.2 | -75.8 | 0 | 0 | 0 | 0 | 112.4 | W102 P103 K109 R110 | W102-C106 VanDerWaalsContact CE2-SG 3.56Å; W102-C106 PolarHBondContact NE1-SG 3.42Å; W102-C106 VanDerWaalsContact NE1-SG 3.39Å; W102-C106 WeakPolarHBondContact O-CB 3.49Å; W102-C106 PolarHBondContact O-N 3.3Å; W102-C106 PolarHBondContact O-SG 2.88Å; W102-C106 VanDerWaalsContact O-SG 3.41Å; P103-C106 PolarHBondContact O-N 2.68Å; C106-K109 PolarHBondContact O-N 3.26Å; C106-R110 WeakPolarHBondContact O-CB 3.29Å; C106-R110 PolarHBondContact O-N 2.84Å |
| 107 | L | 79.2 | Confident | 83.9 | Confident | 34 Ų | 34 | 71.8 Ų | 71.8 | 18% | 0.178 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.9 | -45.3 | 177.1 | -78.3 | 173.6 | 0 | 0 | 0 | 112 | N82 W85 P103 V104 I105 K109 R110 T111 | N82-L107 WeakPolarHBondContact OD1-CB 3.48Å; W85-L107 HydrophobicContact CB-CD1 3.53Å; W85-L107 HydrophobicContact CD2-CD1 4.13Å; W85-L107 HydrophobicContact CG-CD1 3.37Å; P103-L107 VanDerWaalsContact O-CB 3.32Å; P103-L107 WeakPolarHBondContact O-CB 3.4Å; P103-L107 WeakPolarHBondContact O-CG 3.42Å; P103-L107 PolarHBondContact O-N 2.76Å; V104-L107 PolarHBondContact O-N 2.98Å; I105-L107 PolarHBondContact O-N 3.32Å; L107-K109 PolarHBondContact O-N 2.84Å; L107-R110 WeakPolarHBondContact O-CB 3.3Å; L107-R110 PolarHBondContact O-N 3.14Å; L107-T111 PolarHBondContact O-N 3.02Å; L107-T111 PolarHBondContact O-OG1 2.99Å; L107-T111 VanDerWaalsContact O-OG1 3.13Å |
| 108 | S | 83.4 | Confident | 84.8 | Confident | 4 Ų | 4 | 65.1 Ų | 65.1 | 3% | 0.028 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 173.1 | 179.4 | 0 | 0 | 0 | 0 | 111.3 | V104 I105 R110 T111 R112 | V104-S108 PolarHBondContact O-N 2.92Å; I105-S108 PolarHBondContact O-N 3.43Å; S108-R110 VanDerWaalsContact C-N 3.29Å; S108-R110 PolarHBondContact O-N 3.04Å; S108-T111 PolarHBondContact O-N 3.03Å; S108-R112 WeakPolarHBondContact O-CG 3.4Å; S108-R112 PolarHBondContact O-N 3.48Å |
| 109 | K | 88.3 | Confident | 86 | Confident | 79 Ų | 79 | 64 Ų | 64 | 34% | 0.343 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56.5 | -41.8 | 174.6 | -75.8 | 178.9 | 178.9 | 179.4 | 0 | 112 | I105 C106 L107 R112 R113 | I105-K109 HydrophobicContact CG2-CD 4.21Å; I105-K109 WeakPolarHBondContact O-CB 3.42Å; I105-K109 WeakPolarHBondContact O-CG 3.2Å; I105-K109 PolarHBondContact O-N 3.03Å; C106-K109 PolarHBondContact O-N 3.26Å; L107-K109 PolarHBondContact O-N 2.84Å; K109-R112 PolarHBondContact O-N 3.01Å; K109-R113 WeakPolarHBondContact O-CG 3.29Å; K109-R113 PolarHBondContact O-N 3.32Å |
| 110 | R | 89.9 | Confident | 87.2 | Confident | 176 Ų | 176 | 63.8 Ų | 63.8 | 66% | 0.664 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63.3 | -45.4 | 178 | -176.9 | 177.6 | -176.5 | 163.1 | 2.2 | 111.8 | C106 L107 S108 R113 S114 | C106-R110 WeakPolarHBondContact O-CB 3.29Å; C106-R110 PolarHBondContact O-N 2.84Å; L107-R110 WeakPolarHBondContact O-CB 3.3Å; L107-R110 PolarHBondContact O-N 3.14Å; S108-R110 VanDerWaalsContact C-N 3.29Å; S108-R110 PolarHBondContact O-N 3.04Å; R110-R113 PolarHBondContact O-N 2.9Å; R110-S114 PolarHBondContact O-N 3.24Å |
| 111 | T | 90.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.9 | -46.4 | 177.3 | -52.7 | 0 | 0 | 0 | 0 | 111.1 | L43 L75 N78 N82 L107 S108 R113 S114 I115 | L43-T111 HydrophobicContact CD2-CG2 3.99Å; L75-T111 HydrophobicContact CD2-CG2 4.27Å; N78-T111 HydrophobicContact CB-CG2 3.88Å; N82-T111 PolarHBondContact ND2-OG1 2.83Å; L107-T111 PolarHBondContact O-N 3.02Å; L107-T111 PolarHBondContact O-OG1 2.99Å; L107-T111 VanDerWaalsContact O-OG1 3.13Å; S108-T111 PolarHBondContact O-N 3.03Å; T111-R113 PolarHBondContact O-N 3.22Å; T111-S114 WeakPolarHBondContact O-CB 3.43Å; T111-S114 PolarHBondContact O-N 3.37Å; T111-S114 VanDerWaalsContact O-N 3.14Å; T111-I115 HydrophobicContact CG2-CD1 4.2Å; T111-I115 WeakPolarHBondContact O-CG1 3.44Å; T111-I115 PolarHBondContact O-N 3.2Å |
| 112 | R | 93.3 | Very high | 89.6 | Confident | 59 Ų | 59 | 67.2 Ų | 67.2 | 22% | 0.223 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59 | -48.6 | 177.6 | -64.2 | -177.2 | -35.7 | -155.6 | 11.1 | 112.2 | L43 S108 K109 S114 I115 E116 L136 Y149 | L43-R112 HydrophobicContact CD2-CG 4.34Å; S108-R112 WeakPolarHBondContact O-CG 3.4Å; S108-R112 PolarHBondContact O-N 3.48Å; K109-R112 PolarHBondContact O-N 3.01Å; R112-S114 PolarHBondContact O-N 3.38Å; R112-I115 WeakPolarHBondContact O-CA 3.38Å; R112-I115 WeakPolarHBondContact O-CB 3.44Å; R112-I115 PolarHBondContact O-N 3.07Å; R112-E116 WeakPolarHBondContact O-CG 3.49Å; R112-E116 PolarHBondContact O-N 3.1Å; R112-L136 HydrophobicContact CB-CD2 4.27Å; R112-L136 HydrophobicContact CG-CD2 4.43Å; R112-Y149 VanDerWaalsContact CD-CZ 3.41Å; R112-Y149 WeakPolarHBondContact CD-OH 3.32Å; R112-Y149 PolarHBondContact NH1-OH 3.43Å |
| 113 | R | 93.6 | Very high | 90.6 | Very high | 165 Ų | 165 | 59.3 Ų | 59.3 | 62% | 0.623 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -57.8 | -36.9 | 175.7 | -74 | 178.3 | -178.5 | 176.9 | -0.7 | 112.6 | K109 R110 T111 I115 E116 K117 | K109-R113 WeakPolarHBondContact O-CG 3.29Å; K109-R113 PolarHBondContact O-N 3.32Å; R110-R113 PolarHBondContact O-N 2.9Å; T111-R113 PolarHBondContact O-N 3.22Å; R113-I115 VanDerWaalsContact C-N 3.34Å; R113-E116 WeakPolarHBondContact CA-OE2 3.44Å; R113-K117 WeakPolarHBondContact O-CB 3.47Å; R113-K117 VanDerWaalsContact O-CG 3.31Å; R113-K117 WeakPolarHBondContact O-CG 3.5Å; R113-K117 PolarHBondContact O-N 3.18Å |
| 114 | S | 93.9 | Very high | 91.5 | Very high | 51 Ų | 51 | 61.5 Ų | 61.5 | 36% | 0.357 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.2 | -34.7 | 176.7 | -167.1 | 0 | 0 | 0 | 0 | 112.4 | C74 R110 T111 R112 L118 | C74-S114 PolarHBondContact SG-OG 3.38Å; R110-S114 PolarHBondContact O-N 3.24Å; T111-S114 WeakPolarHBondContact O-CB 3.43Å; T111-S114 PolarHBondContact O-N 3.37Å; T111-S114 VanDerWaalsContact O-N 3.14Å; R112-S114 PolarHBondContact O-N 3.38Å; S114-L118 WeakPolarHBondContact O-CB 3.38Å; S114-L118 PolarHBondContact O-N 2.82Å |
| 115 | I | 95.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -71.8 | -47.3 | 174.8 | -65 | 166.3 | 0 | 0 | 0 | 109.9 | L43 V71 L75 T111 R112 R113 K117 L118 L119 L136 | L43-I115 HydrophobicContact CD1-CD1 4.21Å; L43-I115 HydrophobicContact CD2-CD1 4.06Å; V71-I115 HydrophobicContact CG1-CG1 4.5Å; V71-I115 HydrophobicContact CG1-CG2 4.05Å; L75-I115 HydrophobicContact CD2-CD1 3.55Å; L75-I115 HydrophobicContact CG-CD1 4.08Å; T111-I115 HydrophobicContact CG2-CD1 4.2Å; T111-I115 WeakPolarHBondContact O-CG1 3.44Å; T111-I115 PolarHBondContact O-N 3.2Å; R112-I115 WeakPolarHBondContact O-CA 3.38Å; R112-I115 WeakPolarHBondContact O-CB 3.44Å; R112-I115 PolarHBondContact O-N 3.07Å; R113-I115 VanDerWaalsContact C-N 3.34Å; I115-K117 VanDerWaalsContact C-N 3.32Å; I115-K117 PolarHBondContact O-N 3.29Å; I115-L118 WeakPolarHBondContact O-CA 3.41Å; I115-L118 WeakPolarHBondContact O-CB 3.45Å; I115-L118 PolarHBondContact O-N 3.29Å; I115-L119 HydrophobicContact CG2-CD1 4.11Å; I115-L119 HydrophobicContact CG2-CG 4.22Å; I115-L119 WeakPolarHBondContact O-CG 3.43Å; I115-L119 PolarHBondContact O-N 3.36Å; I115-L136 HydrophobicContact CB-CD2 4.42Å; I115-L136 HydrophobicContact CG2-CD1 4.36Å; I115-L136 HydrophobicContact CG2-CD2 4.22Å |
| 116 | E | 96.8 | Very high | 93.3 | Very high | 88 Ų | 88 | 63.7 Ų | 63.7 | 41% | 0.411 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -54.6 | -47.4 | 176.4 | -71.5 | 161.8 | 179.2 | 0 | 0 | 111.1 | R112 R113 L118 L119 E120 L136 | R112-E116 WeakPolarHBondContact O-CG 3.49Å; R112-E116 PolarHBondContact O-N 3.1Å; R113-E116 WeakPolarHBondContact CA-OE2 3.44Å; E116-L118 VanDerWaalsContact C-N 3.31Å; E116-L118 PolarHBondContact O-N 2.97Å; E116-L119 PolarHBondContact O-N 3.33Å; E116-E120 WeakPolarHBondContact O-CB 3.4Å; E116-E120 PolarHBondContact O-N 3.19Å; E116-L136 HydrophobicContact CG-CB 4.24Å; E116-L136 HydrophobicContact CG-CD2 4.33Å |
| 117 | K | 97.1 | Very high | 94 | Very high | 164 Ų | 164 | 61.4 Ų | 61.4 | 71% | 0.713 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -61.6 | -36.6 | 174.7 | -75.2 | -175.9 | 178.5 | -165.1 | 0 | 113.6 | R113 I115 W121 | R113-K117 WeakPolarHBondContact O-CB 3.47Å; R113-K117 VanDerWaalsContact O-CG 3.31Å; R113-K117 WeakPolarHBondContact O-CG 3.5Å; R113-K117 PolarHBondContact O-N 3.18Å; I115-K117 VanDerWaalsContact C-N 3.32Å; I115-K117 PolarHBondContact O-N 3.29Å; K117-W121 PolarHBondContact O-N 3.43Å |
| 118 | L | 97.3 | Very high | 94.8 | Very high | 37 Ų | 37 | 62.9 Ų | 62.9 | 19% | 0.194 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69 | -43.7 | 177.3 | 177.3 | 67.5 | 0 | 0 | 0 | 111 | R70 V71 S114 I115 E116 E120 W121 E122 | R70-L118 HydrophobicContact CB-CD1 4.29Å; R70-L118 HydrophobicContact CB-CD2 3.95Å; V71-L118 HydrophobicContact CB-CD2 4.3Å; V71-L118 HydrophobicContact CG2-CD2 3.76Å; S114-L118 WeakPolarHBondContact O-CB 3.38Å; S114-L118 PolarHBondContact O-N 2.82Å; I115-L118 WeakPolarHBondContact O-CA 3.41Å; I115-L118 WeakPolarHBondContact O-CB 3.45Å; I115-L118 PolarHBondContact O-N 3.29Å; E116-L118 VanDerWaalsContact C-N 3.31Å; E116-L118 PolarHBondContact O-N 2.97Å; L118-E120 VanDerWaalsContact C-N 3.31Å; L118-W121 PolarHBondContact O-N 3.5Å; L118-E122 WeakPolarHBondContact O-CG 3.31Å; L118-E122 PolarHBondContact O-N 2.92Å |
| 119 | L | 97.8 | Very high | 95.3 | Very high | 4 Ų | 4 | 70.4 Ų | 70.4 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 175.8 | -67.1 | -179.9 | 0 | 0 | 0 | 111 | V71 I115 E116 W121 E122 N123 W134 L136 | V71-L119 HydrophobicContact CG2-CD2 3.97Å; I115-L119 HydrophobicContact CG2-CD1 4.11Å; I115-L119 HydrophobicContact CG2-CG 4.22Å; I115-L119 WeakPolarHBondContact O-CG 3.43Å; I115-L119 PolarHBondContact O-N 3.36Å; E116-L119 PolarHBondContact O-N 3.33Å; L119-W121 VanDerWaalsContact C-N 3.32Å; L119-W121 PolarHBondContact O-N 2.85Å; L119-E122 PolarHBondContact O-N 3.22Å; L119-N123 WeakPolarHBondContact O-CB 3.36Å; L119-N123 PolarHBondContact O-N 3.44Å; L119-N123 PolarHBondContact O-ND2 2.89Å; L119-W134 HydrophobicContact CD2-CB 4.19Å; L119-W134 HydrophobicContact CD2-CE3 3.93Å; L119-L136 HydrophobicContact CD1-CB 4Å |
| 120 | E | 97.6 | Very high | 95.6 | Very high | 88 Ų | 88 | 69.4 Ų | 69.4 | 41% | 0.411 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 175.4 | -172.5 | 54.3 | -147.7 | 0 | 0 | 112 | E116 L118 N123 N124 | E116-E120 WeakPolarHBondContact O-CB 3.4Å; E116-E120 PolarHBondContact O-N 3.19Å; L118-E120 VanDerWaalsContact C-N 3.31Å; E120-N123 PolarHBondContact O-N 3.2Å; E120-N124 PolarHBondContact O-N 3.44Å; E120-N124 VanDerWaalsContact O-N 3.12Å; E120-N124 PolarHBondContact O-ND2 3.46Å; E120-N124 PolarHBondContact OE1-ND2 3.39Å |
| 121 | W | 97.6 | Very high | 95.8 | Very high | 134 Ų | 134 | 62.7 Ų | 62.7 | 51% | 0.508 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 174.5 | -179.7 | 85.8 | 0 | 0 | 0 | 112.4 | K117 L118 L119 N123 R125 | K117-W121 PolarHBondContact O-N 3.43Å; L118-W121 PolarHBondContact O-N 3.5Å; L119-W121 VanDerWaalsContact C-N 3.32Å; L119-W121 PolarHBondContact O-N 2.85Å; W121-N123 VanDerWaalsContact C-N 3.34Å; W121-R125 WeakPolarHBondContact O-CB 3.42Å; W121-R125 PolarHBondContact O-N 3.49Å |
| 122 | E | 97.6 | Very high | 96 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 175.8 | -74 | -71.3 | 168.2 | 0 | 0 | 112.4 | S67 R70 L118 L119 R125 L126 Y127 | S67-E122 VanDerWaalsContact OG-CD 3.22Å; S67-E122 PolarHBondContact OG-OE2 3.02Å; R70-E122 VanDerWaalsContact CD-OE1 3.29Å; R70-E122 WeakPolarHBondContact CD-OE1 3.25Å; R70-E122 IonicContact CZ-OE1 3.49Å; R70-E122 IonicContact NE-OE1 3.69Å; R70-E122 IonicContact NH1-OE1 2.68Å; R70-E122 PolarHBondContact NH1-OE1 3.22Å; R70-E122 IonicContact NH1-OE2 2.71Å; L118-E122 WeakPolarHBondContact O-CG 3.31Å; L118-E122 PolarHBondContact O-N 2.92Å; L119-E122 PolarHBondContact O-N 3.22Å; E122-R125 PolarHBondContact O-N 3.05Å; E122-R125 IonicContact OE1-NH2 3.72Å; E122-R125 IonicContact OE2-CZ 3.36Å; E122-R125 IonicContact OE2-NE 3.7Å; E122-R125 PolarHBondContact OE2-NE 3.48Å; E122-R125 IonicContact OE2-NH2 3.06Å; E122-R125 PolarHBondContact OE2-NH2 3.13Å; E122-L126 PolarHBondContact O-N 2.93Å; E122-Y127 HydrophobicContact CB-CD2 4.04Å; E122-Y127 HydrophobicContact CB-CE2 4.01Å; E122-Y127 PolarHBondContact O-N 2.97Å |
| 123 | N | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.6 | -54.8 | 177.4 | -75.7 | -27.1 | 0 | 0 | 0 | 111.6 | L119 E120 W121 R125 L126 Y127 H128 H133 W134 | L119-N123 WeakPolarHBondContact O-CB 3.36Å; L119-N123 PolarHBondContact O-N 3.44Å; L119-N123 PolarHBondContact O-ND2 2.89Å; E120-N123 PolarHBondContact O-N 3.2Å; W121-N123 VanDerWaalsContact C-N 3.34Å; N123-R125 VanDerWaalsContact C-N 3.28Å; N123-R125 PolarHBondContact O-N 2.84Å; N123-L126 PolarHBondContact O-N 3.32Å; N123-Y127 PolarHBondContact O-N 3.45Å; N123-Y127 VanDerWaalsContact O-N 3.15Å; N123-H128 WeakPolarHBondContact O-CB 3.34Å; N123-H128 PolarHBondContact O-N 3.18Å; N123-H133 PolarHBondContact ND2-CE1 3.48Å; N123-H133 VanDerWaalsContact ND2-CE1 3.32Å; N123-H133 PolarHBondContact ND2-ND1 3.01Å; N123-W134 PolarHBondContact ND2-O 2.9Å; N123-W134 WeakPolarHBondContact OD1-CB 3.31Å; N123-W134 PolarHBondContact OD1-N 3.39Å |
| 124 | N | 97.2 | Very high | 96.3 | Very high | 94 Ų | 94 | 54.1 Ų | 54.1 | 50% | 0.503 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.5 | -34.7 | 179.4 | -71.2 | -54.9 | 0 | 0 | 0 | 112.3 | E120 H128 | E120-N124 PolarHBondContact O-N 3.44Å; E120-N124 VanDerWaalsContact O-N 3.12Å; E120-N124 PolarHBondContact O-ND2 3.46Å; E120-N124 PolarHBondContact OE1-ND2 3.39Å; N124-H128 PolarHBondContact OD1-ND1 3.29Å |
| 125 | R | 96.8 | Very high | 96.5 | Very high | 77 Ų | 77 | 56.2 Ų | 56.2 | 29% | 0.291 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67.4 | -48.1 | 179.3 | -179.2 | 177.1 | 78.4 | 115.7 | 9.7 | 112.4 | E63 R70 W121 E122 N123 K129 | E63-R125 IonicContact OE2-NH2 3.45Å; E63-R125 PolarHBondContact OE2-NH2 2.94Å; R70-R125 VanDerWaalsContact NH1-NH2 3.13Å; W121-R125 WeakPolarHBondContact O-CB 3.42Å; W121-R125 PolarHBondContact O-N 3.49Å; E122-R125 PolarHBondContact O-N 3.05Å; E122-R125 IonicContact OE1-NH2 3.72Å; E122-R125 IonicContact OE2-CZ 3.36Å; E122-R125 IonicContact OE2-NE 3.7Å; E122-R125 PolarHBondContact OE2-NE 3.48Å; E122-R125 IonicContact OE2-NH2 3.06Å; E122-R125 PolarHBondContact OE2-NH2 3.13Å; N123-R125 VanDerWaalsContact C-N 3.28Å; N123-R125 PolarHBondContact O-N 2.84Å; R125-K129 PolarHBondContact O-NZ 3.1Å |
| 126 | L | 96.1 | Very high | 96.5 | Very high | 35 Ų | 35 | 57.2 Ų | 57.2 | 18% | 0.183 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -137.3 | -58 | -165.9 | 179 | 64.7 | 0 | 0 | 0 | 113.3 | E63 E122 N123 H128 K129 L130 | E63-L126 HydrophobicContact CB-CD2 3.75Å; E63-L126 HydrophobicContact CG-CD2 3.85Å; E122-L126 PolarHBondContact O-N 2.93Å; N123-L126 PolarHBondContact O-N 3.32Å; L126-H128 PolarHBondContact O-N 3.02Å; L126-K129 WeakPolarHBondContact O-CB 3.32Å; L126-K129 PolarHBondContact O-N 3.33Å; L126-L130 HydrophobicContact CD1-CD1 3.96Å; L126-L130 HydrophobicContact CD1-CG 4.32Å; L126-L130 HydrophobicContact CD2-CD1 4.41Å; L126-L130 HydrophobicContact CG-CD1 3.9Å; L126-L130 PolarHBondContact O-N 3.18Å |
| 127 | Y | 97 | Very high | 96.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -67.2 | -33.7 | -161.6 | -67 | -74.6 | 0 | 0 | 0 | 113.7 | V59 S67 E122 N123 K129 L130 C131 L132 W134 | V59-Y127 HydrophobicContact CG2-CE1 3.94Å; S67-Y127 WeakPolarHBondContact CB-OH 3.41Å; S67-Y127 WeakPolarHBondContact OG-CE2 3.35Å; S67-Y127 PolarHBondContact OG-OH 3.02Å; E122-Y127 HydrophobicContact CB-CD2 4.04Å; E122-Y127 HydrophobicContact CB-CE2 4.01Å; E122-Y127 PolarHBondContact O-N 2.97Å; N123-Y127 PolarHBondContact O-N 3.45Å; N123-Y127 VanDerWaalsContact O-N 3.15Å; Y127-K129 VanDerWaalsContact C-N 3.26Å; Y127-K129 PolarHBondContact O-N 3.03Å; Y127-L130 CarbonylContact O-C 3.54Å; Y127-L130 WeakPolarHBondContact O-CA 3.44Å; Y127-L130 WeakPolarHBondContact O-CB 3.39Å; Y127-L130 PolarHBondContact O-N 3.23Å; Y127-C131 PolarHBondContact O-N 2.94Å; Y127-L132 CarbonylContact C-O 3.54Å; Y127-L132 WeakPolarHBondContact CB-O 3.44Å; Y127-L132 HydrophobicContact CD1-CB 4.17Å; Y127-L132 HydrophobicContact CD1-CD1 4.02Å; Y127-L132 WeakPolarHBondContact O-CA 3.39Å; Y127-L132 PolarHBondContact O-N 3.04Å; Y127-W134 AromaticContact CD1-CD1 3.73Å; Y127-W134 AromaticContact CD1-CE2 3.93Å; Y127-W134 HydrophobicContact CD1-CZ2 4.41Å; Y127-W134 AromaticContact CD1-NE1 3.13Å; Y127-W134 AromaticContact CD2-CD1 3.8Å; Y127-W134 HydrophobicContact CD2-CD2 4.43Å; Y127-W134 HydrophobicContact CD2-CG 4.23Å; Y127-W134 AromaticContact CD2-NE1 3.77Å; Y127-W134 AromaticContact CE1-CE2 3.48Å; Y127-W134 VanDerWaalsContact CE1-CE2 3.48Å; Y127-W134 AromaticContact CE1-CZ2 3.54Å; Y127-W134 HydrophobicContact CE1-CZ2 3.54Å; Y127-W134 AromaticContact CE1-NE1 3.16Å; Y127-W134 HydrophobicContact CE2-CD2 4.18Å; Y127-W134 AromaticContact CE2-CE2 3.79Å; Y127-W134 HydrophobicContact CE2-CG 4.45Å; Y127-W134 HydrophobicContact CE2-CZ2 4.07Å; Y127-W134 AromaticContact CE2-NE1 3.83Å; Y127-W134 AromaticContact CG-CD1 3.55Å; Y127-W134 HydrophobicContact CG-CG 4.4Å; Y127-W134 AromaticContact CG-NE1 3.45Å; Y127-W134 AromaticContact CZ-CE2 3.43Å; Y127-W134 VanDerWaalsContact CZ-CE2 3.43Å; Y127-W134 AromaticContact CZ-CZ2 3.35Å; Y127-W134 AromaticContact CZ-NE1 3.55Å; Y127-W134 VanDerWaalsContact OH-CZ2 3.26Å; Y127-W134 WeakPolarHBondContact OH-CZ2 3.41Å |
| 128 | H | 95.3 | Very high | 96.4 | Very high | 65 Ų | 65 | 51.6 Ų | 51.6 | 30% | 0.301 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -61 | -36.1 | 174.9 | -70.5 | 160.5 | 0 | 0 | 0 | 112.3 | N123 N124 L126 L130 C131 L132 H133 | N123-H128 WeakPolarHBondContact O-CB 3.34Å; N123-H128 PolarHBondContact O-N 3.18Å; N124-H128 PolarHBondContact OD1-ND1 3.29Å; L126-H128 PolarHBondContact O-N 3.02Å; H128-L130 PolarHBondContact O-N 3.15Å; H128-C131 PolarHBondContact O-N 3.38Å; H128-C131 VanDerWaalsContact O-N 3.07Å; H128-L132 PolarHBondContact N-O 3.34Å; H128-H133 AromaticContact CD2-ND1 3.97Å; H128-H133 AromaticContact NE2-ND1 3.28Å; H128-H133 PolarHBondContact NE2-ND1 2.75Å |
| 129 | K | 93.9 | Very high | 96.2 | Very high | 162 Ų | 162 | 55.1 Ų | 55.1 | 70% | 0.704 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -66.9 | -22.2 | 175 | -56 | 173.8 | -177.6 | 163.4 | 0 | 112.6 | R125 L126 Y127 | R125-K129 PolarHBondContact O-NZ 3.1Å; L126-K129 WeakPolarHBondContact O-CB 3.32Å; L126-K129 PolarHBondContact O-N 3.33Å; Y127-K129 VanDerWaalsContact C-N 3.26Å; Y127-K129 PolarHBondContact O-N 3.03Å |
| 130 | L | 94.2 | Very high | 95.9 | Very high | 58 Ų | 58 | 60.6 Ų | 60.6 | 30% | 0.304 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -94.4 | 7.5 | 176.7 | -57.2 | 178.3 | 0 | 0 | 0 | 112.4 | V59 L126 Y127 H128 L132 | V59-L130 HydrophobicContact CB-CD1 3.86Å; V59-L130 HydrophobicContact CG2-CD1 3.83Å; L126-L130 HydrophobicContact CD1-CD1 3.96Å; L126-L130 HydrophobicContact CD1-CG 4.32Å; L126-L130 HydrophobicContact CD2-CD1 4.41Å; L126-L130 HydrophobicContact CG-CD1 3.9Å; L126-L130 PolarHBondContact O-N 3.18Å; Y127-L130 CarbonylContact O-C 3.54Å; Y127-L130 WeakPolarHBondContact O-CA 3.44Å; Y127-L130 WeakPolarHBondContact O-CB 3.39Å; Y127-L130 PolarHBondContact O-N 3.23Å; H128-L130 PolarHBondContact O-N 3.15Å; L130-L132 VanDerWaalsContact C-N 3.26Å; L130-L132 HydrophobicContact CB-CD1 4.14Å; L130-L132 HydrophobicContact CB-CG 4.25Å; L130-L132 PolarHBondContact O-N 3.39Å |
| 131 | C | 93.7 | Very high | 95.5 | Very high | 35 Ų | 35 | 57.2 Ų | 57.2 | 24% | 0.236 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 40.2 | -170.9 | -50.4 | 0 | 0 | 0 | 0 | 112.2 | Y127 H128 L156 K158 | Y127-C131 PolarHBondContact O-N 2.94Å; H128-C131 PolarHBondContact O-N 3.38Å; H128-C131 VanDerWaalsContact O-N 3.07Å; C131-L156 HydrophobicContact CB-CB 4.24Å; C131-L156 PolarHBondContact O-N 3.05Å; C131-K158 HydrophobicContact CB-CG 4.32Å |
| 132 | L | 95.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 146.3 | 176.9 | -63.6 | 174 | 0 | 0 | 0 | 109.9 | L55 K58 V59 Y127 H128 L130 I153 E154 F155 | L55-L132 HydrophobicContact CD2-CD1 4.49Å; L55-L132 HydrophobicContact CD2-CD2 4.44Å; K58-L132 HydrophobicContact CB-CD1 4.45Å; V59-L132 HydrophobicContact CB-CD1 4.29Å; V59-L132 HydrophobicContact CG1-CD1 4.27Å; Y127-L132 CarbonylContact C-O 3.54Å; Y127-L132 WeakPolarHBondContact CB-O 3.44Å; Y127-L132 HydrophobicContact CD1-CB 4.17Å; Y127-L132 HydrophobicContact CD1-CD1 4.02Å; Y127-L132 WeakPolarHBondContact O-CA 3.39Å; Y127-L132 PolarHBondContact O-N 3.04Å; H128-L132 PolarHBondContact N-O 3.34Å; L130-L132 VanDerWaalsContact C-N 3.26Å; L130-L132 HydrophobicContact CB-CD1 4.14Å; L130-L132 HydrophobicContact CB-CG 4.25Å; L130-L132 PolarHBondContact O-N 3.39Å; L132-I153 HydrophobicContact CB-CG2 4.34Å; L132-I153 HydrophobicContact CD2-CG2 4.1Å; L132-E154 CarbonylContact C-O 3.58Å; L132-E154 VanDerWaalsContact CA-O 3.27Å; L132-E154 WeakPolarHBondContact CA-O 3.46Å; L132-F155 HydrophobicContact CD2-CD1 3.53Å; L132-F155 HydrophobicContact CD2-CE1 3.71Å; L132-F155 HydrophobicContact CD2-CG 4.3Å |
| 133 | H | 96.3 | Very high | 94.3 | Very high | 41 Ų | 41 | 64 Ų | 64 | 19% | 0.19 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 117 | 175.5 | -177.8 | 67.4 | 0 | 0 | 0 | 111 | N123 H128 I153 E154 L156 | N123-H133 PolarHBondContact ND2-CE1 3.48Å; N123-H133 VanDerWaalsContact ND2-CE1 3.32Å; N123-H133 PolarHBondContact ND2-ND1 3.01Å; H128-H133 AromaticContact CD2-ND1 3.97Å; H128-H133 AromaticContact NE2-ND1 3.28Å; H128-H133 PolarHBondContact NE2-ND1 2.75Å; H133-I153 WeakPolarHBondContact O-CA 3.37Å; H133-E154 HydrophobicContact CB-CB 4.34Å; H133-E154 IonicContact CD2-OE2 2.74Å; H133-E154 PolarHBondContact N-O 3.11Å; H133-E154 PolarHBondContact O-N 3.32Å; H133-L156 HydrophobicContact CB-CD1 4.3Å; H133-L156 HydrophobicContact CB-CD2 3.87Å; H133-L156 HydrophobicContact CB-CG 4.04Å |
| 134 | W | 97.6 | Very high | 93.6 | Very high | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.008 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 128.7 | 178.5 | -71.8 | 46.5 | 0 | 0 | 0 | 110.3 | F64 I68 L119 N123 Y127 I151 L152 I153 | F64-W134 AromaticContact CD2-CH2 3.42Å; F64-W134 HydrophobicContact CD2-CH2 3.42Å; F64-W134 VanDerWaalsContact CD2-CH2 3.42Å; F64-W134 AromaticContact CD2-CZ2 3.51Å; F64-W134 HydrophobicContact CD2-CZ2 3.51Å; F64-W134 AromaticContact CE2-CH2 3.48Å; F64-W134 HydrophobicContact CE2-CH2 3.48Å; F64-W134 VanDerWaalsContact CE2-CH2 3.48Å; F64-W134 AromaticContact CE2-CZ2 3.83Å; F64-W134 HydrophobicContact CE2-CZ2 3.83Å; F64-W134 HydrophobicContact CE2-CZ3 4.5Å; F64-W134 HydrophobicContact CG-CH2 4.31Å; F64-W134 HydrophobicContact CZ-CH2 4.41Å; I68-W134 HydrophobicContact CD1-CH2 4.01Å; I68-W134 HydrophobicContact CD1-CZ3 3.57Å; I68-W134 HydrophobicContact CG1-CH2 3.93Å; I68-W134 HydrophobicContact CG1-CZ3 3.93Å; L119-W134 HydrophobicContact CD2-CB 4.19Å; L119-W134 HydrophobicContact CD2-CE3 3.93Å; N123-W134 PolarHBondContact ND2-O 2.9Å; N123-W134 WeakPolarHBondContact OD1-CB 3.31Å; N123-W134 PolarHBondContact OD1-N 3.39Å; Y127-W134 AromaticContact CD1-CD1 3.73Å; Y127-W134 AromaticContact CD1-CE2 3.93Å; Y127-W134 HydrophobicContact CD1-CZ2 4.41Å; Y127-W134 AromaticContact CD1-NE1 3.13Å; Y127-W134 AromaticContact CD2-CD1 3.8Å; Y127-W134 HydrophobicContact CD2-CD2 4.43Å; Y127-W134 HydrophobicContact CD2-CG 4.23Å; Y127-W134 AromaticContact CD2-NE1 3.77Å; Y127-W134 AromaticContact CE1-CE2 3.48Å; Y127-W134 VanDerWaalsContact CE1-CE2 3.48Å; Y127-W134 AromaticContact CE1-CZ2 3.54Å; Y127-W134 HydrophobicContact CE1-CZ2 3.54Å; Y127-W134 AromaticContact CE1-NE1 3.16Å; Y127-W134 HydrophobicContact CE2-CD2 4.18Å; Y127-W134 AromaticContact CE2-CE2 3.79Å; Y127-W134 HydrophobicContact CE2-CG 4.45Å; Y127-W134 HydrophobicContact CE2-CZ2 4.07Å; Y127-W134 AromaticContact CE2-NE1 3.83Å; Y127-W134 AromaticContact CG-CD1 3.55Å; Y127-W134 HydrophobicContact CG-CG 4.4Å; Y127-W134 AromaticContact CG-NE1 3.45Å; Y127-W134 AromaticContact CZ-CE2 3.43Å; Y127-W134 VanDerWaalsContact CZ-CE2 3.43Å; Y127-W134 AromaticContact CZ-CZ2 3.35Å; Y127-W134 AromaticContact CZ-NE1 3.55Å; Y127-W134 VanDerWaalsContact OH-CZ2 3.26Å; Y127-W134 WeakPolarHBondContact OH-CZ2 3.41Å; W134-I151 HydrophobicContact CD2-CG2 4.3Å; W134-I151 HydrophobicContact CE3-CG2 3.64Å; W134-I151 HydrophobicContact CZ3-CG2 4.23Å; W134-L152 CarbonylContact C-O 3.56Å; W134-L152 VanDerWaalsContact CA-O 3.3Å; W134-L152 WeakPolarHBondContact CA-O 3.39Å; W134-I153 HydrophobicContact CD2-CD1 4.06Å; W134-I153 HydrophobicContact CD2-CG1 3.8Å; W134-I153 VanDerWaalsContact CE2-CD1 3.49Å; W134-I153 HydrophobicContact CE3-CG1 4.41Å; W134-I153 HydrophobicContact CG-CG1 4.03Å; W134-I153 HydrophobicContact CH2-CD1 3.97Å; W134-I153 HydrophobicContact CZ2-CD1 3.45Å; W134-I153 VanDerWaalsContact CZ2-CD1 3.45Å; W134-I153 HydrophobicContact CZ2-CG1 4.12Å; W134-I153 HydrophobicContact CZ3-CD1 4.46Å |
| 135 | R | 97.2 | Very high | 93 | Very high | 95 Ų | 95 | 68.7 Ų | 68.7 | 36% | 0.358 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 148 | 175 | 65.9 | 177.3 | -175.1 | 140.8 | -7 | 112.6 | I151 L152 E154 | R135-I151 WeakPolarHBondContact O-CA 3.38Å; R135-L152 HydrophobicContact CG-CB 3.95Å; R135-L152 PolarHBondContact N-O 3.49Å; R135-L152 PolarHBondContact O-N 3.48Å; R135-E154 WeakPolarHBondContact CD-OE2 3.22Å; R135-E154 IonicContact CZ-OE1 3.39Å; R135-E154 IonicContact CZ-OE2 2.64Å; R135-E154 IonicContact NE-OE1 3.42Å; R135-E154 PolarHBondContact NE-OE1 3.29Å; R135-E154 IonicContact NE-OE2 2.71Å; R135-E154 PolarHBondContact NE-OE2 3.11Å; R135-E154 VanDerWaalsContact NE-OE2 3.16Å; R135-E154 IonicContact NH2-OE1 3.62Å; R135-E154 PolarHBondContact NH2-OE1 2.9Å |
| 136 | L | 97.1 | Very high | 92.5 | Very high | 22 Ų | 22 | 71.1 Ų | 71.1 | 12% | 0.115 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 121.8 | 170.3 | -170.6 | 69.3 | 0 | 0 | 0 | 108.4 | F47 R112 I115 E116 L119 Y149 I151 | F47-L136 HydrophobicContact CZ-CD1 4.11Å; R112-L136 HydrophobicContact CB-CD2 4.27Å; R112-L136 HydrophobicContact CG-CD2 4.43Å; I115-L136 HydrophobicContact CB-CD2 4.42Å; I115-L136 HydrophobicContact CG2-CD1 4.36Å; I115-L136 HydrophobicContact CG2-CD2 4.22Å; E116-L136 HydrophobicContact CG-CB 4.24Å; E116-L136 HydrophobicContact CG-CD2 4.33Å; L119-L136 HydrophobicContact CD1-CB 4Å; L136-Y149 HydrophobicContact CD1-CD1 4.42Å; L136-Y149 HydrophobicContact CD2-CD1 4.09Å; L136-Y149 HydrophobicContact CG-CD1 3.94Å; L136-I151 HydrophobicContact CD1-CG1 4.36Å |
| 137 | S | 96 | Very high | 92.4 | Very high | 20 Ų | 20 | 73.5 Ų | 73.5 | 14% | 0.14 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 153.3 | -178.3 | -170.3 | 0 | 0 | 0 | 0 | 111.5 | Y149 V150 | S137-Y149 CarbonylContact O-C 3.05Å; S137-Y149 WeakPolarHBondContact O-CA 3.45Å; S137-V150 PolarHBondContact N-O 3Å; S137-V150 PolarHBondContact O-N 3.13Å |
| 138 | K | 94.5 | Very high | 92.2 | Very high | 114 Ų | 114 | 74.8 Ų | 74.8 | 50% | 0.496 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 117.8 | 177.6 | -164.1 | -178.7 | 177 | -179.4 | 0 | 108.7 | M147 E148 Y149 | K138-M147 HydrophobicContact CD-CB 4.24Å; K138-M147 HydrophobicContact CD-CE 4.25Å; K138-M147 HydrophobicContact CG-CB 4.07Å; K138-M147 HydrophobicContact CG-CE 3.84Å; K138-E148 CarbonylContact C-O 3.47Å; K138-E148 WeakPolarHBondContact CA-O 3.44Å; K138-Y149 HydrophobicContact CB-CD1 4.43Å; K138-Y149 HydrophobicContact CB-CE1 4.19Å |
| 139 | R | 93.7 | Very high | 92.2 | Very high | 110 Ų | 110 | 73 Ų | 73 | 42% | 0.415 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 164 | 179.5 | -68 | -66.6 | -170.3 | 158.3 | 1.4 | 110.6 | M147 E148 V150 | R139-M147 CarbonylContact O-C 3.49Å; R139-M147 WeakPolarHBondContact O-CA 3.44Å; R139-E148 PolarHBondContact N-O 3.5Å; R139-E148 PolarHBondContact O-N 2.8Å; R139-V150 HydrophobicContact CB-CG1 4.46Å; R139-V150 HydrophobicContact CB-CG2 3.93Å; R139-V150 HydrophobicContact CG-CG2 3.48Å; R139-V150 VanDerWaalsContact CG-CG2 3.48Å |
| 140 | K | 92.1 | Very high | 92.4 | Very high | 119 Ų | 119 | 65.3 Ų | 65.3 | 52% | 0.517 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 134.9 | 171.2 | -170.7 | -179.8 | 179 | -175.9 | 0 | 108.5 | N145 M147 | K140-N145 WeakPolarHBondContact CE-OD1 3.47Å; K140-N145 PolarHBondContact NZ-OD1 3.36Å; K140-M147 HydrophobicContact CB-SD 4.29Å |
| 141 | C | 87.8 | Confident | 92.5 | Very high | 18 Ų | 18 | 62.6 Ų | 62.6 | 12% | 0.122 | 30% | 0.304 | C | S | . | . | trans | -64.4 | 143.2 | 174.9 | -164.4 | 0 | 0 | 0 | 0 | 110.2 | T143 N144 M146 E148 | C141-T143 VanDerWaalsContact C-N 3.31Å; C141-T143 PolarHBondContact SG-OG1 2.85Å; C141-T143 VanDerWaalsContact SG-OG1 3.39Å; C141-N144 VanDerWaalsContact CB-OD1 3.28Å; C141-N144 WeakPolarHBondContact CB-OD1 3.46Å; C141-M146 WeakPolarHBondContact CB-O 3.4Å; C141-M146 PolarHBondContact N-O 3.23Å; C141-E148 HydrophobicContact CB-CG 4.2Å; C141-E148 PolarHBondContact SG-OE2 3.24Å; C141-E148 VanDerWaalsContact SG-OE2 3.33Å | ||
| 142 | E | 85.1 | Confident | 92.7 | Very high | 150 Ų | 150 | 60.9 Ų | 60.9 | 70% | 0.701 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -67.1 | -32.9 | 175.9 | -91.4 | 160.1 | -158.6 | 0 | 0 | 112.4 | R33 | R33-E142 VanDerWaalsContact CZ-CG 3.44Å; R33-E142 IonicContact CZ-OE1 3.48Å; R33-E142 IonicContact CZ-OE2 3.16Å; R33-E142 VanDerWaalsContact NE-CD 3.32Å; R33-E142 IonicContact NE-OE1 3.92Å; R33-E142 PolarHBondContact NE-OE1 3.12Å; R33-E142 IonicContact NE-OE2 3Å; R33-E142 PolarHBondContact NE-OE2 3.09Å; R33-E142 VanDerWaalsContact NH1-N 3.16Å; R33-E142 IonicContact NH1-OE1 2.67Å; R33-E142 IonicContact NH1-OE2 3.63Å; R33-E142 IonicContact NH2-OE1 3.89Å; R33-E142 PolarHBondContact NH2-OE1 3.02Å; R33-E142 IonicContact NH2-OE2 2.65Å |
| 143 | T | 84.7 | Confident | 92.8 | Very high | 127 Ų | 127 | 60.9 Ų | 60.9 | 78% | 0.779 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -94.4 | -16.3 | -171.5 | 58.3 | 0 | 0 | 0 | 0 | 114 | C141 | C141-T143 VanDerWaalsContact C-N 3.31Å; C141-T143 PolarHBondContact SG-OG1 2.85Å; C141-T143 VanDerWaalsContact SG-OG1 3.39Å |
| 144 | N | 83.1 | Confident | 92.7 | Very high | 55 Ų | 55 | 61.3 Ų | 61.3 | 29% | 0.294 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -150.8 | 168.7 | -178.8 | 66.1 | 47.2 | 0 | 0 | 0 | 111.8 | C141 M146 | C141-N144 VanDerWaalsContact CB-OD1 3.28Å; C141-N144 WeakPolarHBondContact CB-OD1 3.46Å; N144-M146 WeakPolarHBondContact ND2-CE 3.41Å; N144-M146 PolarHBondContact O-N 3.41Å; N144-M146 WeakPolarHBondContact OD1-CA 3.39Å; N144-M146 WeakPolarHBondContact OD1-CB 3.24Å; N144-M146 WeakPolarHBondContact OD1-CG 3.4Å; N144-M146 PolarHBondContact OD1-N 2.92Å |
| 145 | N | 85.1 | Confident | 92.4 | Very high | 138 Ų | 138 | 62.6 Ų | 62.6 | 74% | 0.738 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -78.9 | 9.4 | 179 | -72 | -39.2 | 0 | 0 | 0 | 114.3 | K140 | K140-N145 WeakPolarHBondContact CE-OD1 3.47Å; K140-N145 PolarHBondContact NZ-OD1 3.36Å |
| 146 | M | 87.8 | Confident | 92.1 | Very high | 127 Ų | 127 | 61 Ų | 61 | 63% | 0.626 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -80.9 | 157 | 177.5 | -53.7 | -169.5 | -81 | 0 | 0 | 110.9 | C141 N144 | C141-M146 WeakPolarHBondContact CB-O 3.4Å; C141-M146 PolarHBondContact N-O 3.23Å; N144-M146 WeakPolarHBondContact ND2-CE 3.41Å; N144-M146 PolarHBondContact O-N 3.41Å; N144-M146 WeakPolarHBondContact OD1-CA 3.39Å; N144-M146 WeakPolarHBondContact OD1-CB 3.24Å; N144-M146 WeakPolarHBondContact OD1-CG 3.4Å; N144-M146 PolarHBondContact OD1-N 2.92Å |
| 147 | M | 92.2 | Very high | 91.3 | Very high | 85 Ų | 85 | 62.4 Ų | 62.4 | 42% | 0.419 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 137.8 | 171.9 | -60.3 | -65.6 | -66.7 | 0 | 0 | 110 | G42 K138 R139 K140 | G42-M147 WeakPolarHBondContact CA-O 3.29Å; K138-M147 HydrophobicContact CD-CB 4.24Å; K138-M147 HydrophobicContact CD-CE 4.25Å; K138-M147 HydrophobicContact CG-CB 4.07Å; K138-M147 HydrophobicContact CG-CE 3.84Å; R139-M147 CarbonylContact O-C 3.49Å; R139-M147 WeakPolarHBondContact O-CA 3.44Å; K140-M147 HydrophobicContact CB-SD 4.29Å |
| 148 | E | 94.3 | Very high | 90.1 | Very high | 28 Ų | 28 | 67.9 Ų | 67.9 | 13% | 0.131 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 155.5 | 177.4 | 62.9 | 178.8 | -179.2 | 0 | 0 | 111.2 | R33 G42 K138 R139 C141 V150 | R33-E148 IonicContact CZ-OE1 2.94Å; R33-E148 IonicContact NH1-OE1 3.8Å; R33-E148 PolarHBondContact NH1-OE1 3.43Å; G42-E148 CarbonylContact O-C 3.54Å; G42-E148 VanDerWaalsContact O-CA 3.31Å; G42-E148 WeakPolarHBondContact O-CA 3.42Å; K138-E148 CarbonylContact C-O 3.47Å; K138-E148 WeakPolarHBondContact CA-O 3.44Å; R139-E148 PolarHBondContact N-O 3.5Å; R139-E148 PolarHBondContact O-N 2.8Å; C141-E148 HydrophobicContact CB-CG 4.2Å; C141-E148 PolarHBondContact SG-OE2 3.24Å; C141-E148 VanDerWaalsContact SG-OE2 3.33Å; E148-V150 HydrophobicContact CG-CG1 3.95Å |
| 149 | Y | 95.4 | Very high | 88.7 | Confident | 28 Ų | 28 | 68.5 Ų | 68.5 | 11% | 0.11 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 123.3 | 168.5 | -76.3 | -80.7 | 0 | 0 | 0 | 109.3 | F41 G42 L43 F47 R112 L136 S137 K138 | F41-Y149 WeakPolarHBondContact O-CE2 3.49Å; G42-Y149 PolarHBondContact O-N 3.1Å; L43-Y149 HydrophobicContact CB-CD2 4.05Å; L43-Y149 HydrophobicContact CD1-CG 4.33Å; F47-Y149 WeakPolarHBondContact CE1-O 3.18Å; R112-Y149 VanDerWaalsContact CD-CZ 3.41Å; R112-Y149 WeakPolarHBondContact CD-OH 3.32Å; R112-Y149 PolarHBondContact NH1-OH 3.43Å; L136-Y149 HydrophobicContact CD1-CD1 4.42Å; L136-Y149 HydrophobicContact CD2-CD1 4.09Å; L136-Y149 HydrophobicContact CG-CD1 3.94Å; S137-Y149 CarbonylContact O-C 3.05Å; S137-Y149 WeakPolarHBondContact O-CA 3.45Å; K138-Y149 HydrophobicContact CB-CD1 4.43Å; K138-Y149 HydrophobicContact CB-CE1 4.19Å |
| 150 | V | 96.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 155 | 175 | -59.5 | 0 | 0 | 0 | 0 | 109.7 | V31 R33 S137 R139 E148 L152 | V31-V150 HydrophobicContact CG1-CB 3.85Å; V31-V150 HydrophobicContact CG1-CG1 4.06Å; V31-V150 HydrophobicContact CG1-CG2 3.91Å; R33-V150 HydrophobicContact CG-CG1 4.13Å; S137-V150 PolarHBondContact N-O 3Å; S137-V150 PolarHBondContact O-N 3.13Å; R139-V150 HydrophobicContact CB-CG1 4.46Å; R139-V150 HydrophobicContact CB-CG2 3.93Å; R139-V150 HydrophobicContact CG-CG2 3.48Å; R139-V150 VanDerWaalsContact CG-CG2 3.48Å; E148-V150 HydrophobicContact CG-CG1 3.95Å; V150-L152 HydrophobicContact CG2-CD2 3.87Å; V150-L152 HydrophobicContact CG2-CG 4.23Å |
| 151 | I | 97.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 122.1 | 167.6 | -60 | 169.6 | 0 | 0 | 0 | 106.8 | V32 F47 I68 V71 W134 R135 L136 I153 | V32-I151 HydrophobicContact CB-CB 4.2Å; V32-I151 PolarHBondContact N-O 3.28Å; V32-I151 PolarHBondContact O-N 3.2Å; F47-I151 HydrophobicContact CB-CD1 4.39Å; F47-I151 HydrophobicContact CD1-CD1 4.07Å; F47-I151 HydrophobicContact CD1-CG1 4.16Å; F47-I151 HydrophobicContact CD2-CD1 3.8Å; F47-I151 HydrophobicContact CD2-CG1 4.4Å; F47-I151 HydrophobicContact CE1-CD1 4.32Å; F47-I151 HydrophobicContact CE1-CG1 3.99Å; F47-I151 HydrophobicContact CE2-CD1 4.03Å; F47-I151 HydrophobicContact CE2-CG1 4.21Å; F47-I151 HydrophobicContact CG-CD1 3.81Å; F47-I151 HydrophobicContact CG-CG1 4.38Å; F47-I151 HydrophobicContact CZ-CD1 4.29Å; F47-I151 HydrophobicContact CZ-CG1 4Å; I68-I151 HydrophobicContact CD1-CD1 3.89Å; V71-I151 HydrophobicContact CG1-CD1 4.21Å; W134-I151 HydrophobicContact CD2-CG2 4.3Å; W134-I151 HydrophobicContact CE3-CG2 3.64Å; W134-I151 HydrophobicContact CZ3-CG2 4.23Å; R135-I151 WeakPolarHBondContact O-CA 3.38Å; L136-I151 HydrophobicContact CD1-CG1 4.36Å; I151-I153 HydrophobicContact CG2-CG1 4.49Å |
| 152 | L | 97 | Very high | 84.4 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 135.7 | 171.7 | -61.3 | -179.7 | 0 | 0 | 0 | 108.8 | P29 V31 W134 R135 V150 | P29-L152 HydrophobicContact CB-CB 4.44Å; V31-L152 HydrophobicContact CB-CD2 4.35Å; V31-L152 HydrophobicContact CG1-CD2 4.21Å; V31-L152 HydrophobicContact CG2-CD2 3.78Å; W134-L152 CarbonylContact C-O 3.56Å; W134-L152 VanDerWaalsContact CA-O 3.3Å; W134-L152 WeakPolarHBondContact CA-O 3.39Å; R135-L152 HydrophobicContact CG-CB 3.95Å; R135-L152 PolarHBondContact N-O 3.49Å; R135-L152 PolarHBondContact O-N 3.48Å; V150-L152 HydrophobicContact CG2-CD2 3.87Å; V150-L152 HydrophobicContact CG2-CG 4.23Å |
| 153 | I | 96.9 | Very high | 83 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 102.2 | 172.5 | -53.5 | 171.8 | 0 | 0 | 0 | 106.5 | P29 V30 V32 L55 F64 L132 H133 W134 I151 | P29-I153 CarbonylContact C-O 3.58Å; P29-I153 VanDerWaalsContact CA-O 3.31Å; P29-I153 WeakPolarHBondContact CA-O 3.29Å; V30-I153 HydrophobicContact CB-CB 4.15Å; V30-I153 PolarHBondContact N-O 3.46Å; V30-I153 PolarHBondContact O-N 2.84Å; V32-I153 HydrophobicContact CG2-CD1 3.92Å; L55-I153 HydrophobicContact CD1-CD1 3.71Å; L55-I153 HydrophobicContact CD2-CG2 4.12Å; F64-I153 HydrophobicContact CD2-CD1 4.42Å; F64-I153 HydrophobicContact CE2-CD1 3.88Å; L132-I153 HydrophobicContact CB-CG2 4.34Å; L132-I153 HydrophobicContact CD2-CG2 4.1Å; H133-I153 WeakPolarHBondContact O-CA 3.37Å; W134-I153 HydrophobicContact CD2-CD1 4.06Å; W134-I153 HydrophobicContact CD2-CG1 3.8Å; W134-I153 VanDerWaalsContact CE2-CD1 3.49Å; W134-I153 HydrophobicContact CE3-CG1 4.41Å; W134-I153 HydrophobicContact CG-CG1 4.03Å; W134-I153 HydrophobicContact CH2-CD1 3.97Å; W134-I153 HydrophobicContact CZ2-CD1 3.45Å; W134-I153 VanDerWaalsContact CZ2-CD1 3.45Å; W134-I153 HydrophobicContact CZ2-CG1 4.12Å; W134-I153 HydrophobicContact CZ3-CD1 4.46Å; I151-I153 HydrophobicContact CG2-CG1 4.49Å |
| 154 | E | 94.9 | Very high | 81.8 | Confident | 50 Ų | 50 | 76 Ų | 76 | 23% | 0.234 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 146.6 | -178.4 | -70.7 | 172.9 | 161.7 | 0 | 0 | 110.3 | P29 L132 H133 R135 | P29-E154 HydrophobicContact CB-CG 3.88Å; L132-E154 CarbonylContact C-O 3.58Å; L132-E154 VanDerWaalsContact CA-O 3.27Å; L132-E154 WeakPolarHBondContact CA-O 3.46Å; H133-E154 HydrophobicContact CB-CB 4.34Å; H133-E154 IonicContact CD2-OE2 2.74Å; H133-E154 PolarHBondContact N-O 3.11Å; H133-E154 PolarHBondContact O-N 3.32Å; R135-E154 WeakPolarHBondContact CD-OE2 3.22Å; R135-E154 IonicContact CZ-OE1 3.39Å; R135-E154 IonicContact CZ-OE2 2.64Å; R135-E154 IonicContact NE-OE1 3.42Å; R135-E154 PolarHBondContact NE-OE1 3.29Å; R135-E154 IonicContact NE-OE2 2.71Å; R135-E154 PolarHBondContact NE-OE2 3.11Å; R135-E154 VanDerWaalsContact NE-OE2 3.16Å; R135-E154 IonicContact NH2-OE1 3.62Å; R135-E154 PolarHBondContact NH2-OE1 2.9Å |
| 155 | F | 92.5 | Very high | 80.8 | Confident | 29 Ų | 29 | 84.8 Ų | 84.8 | 13% | 0.127 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 114.9 | 174.6 | -61.9 | -89.5 | 0 | 0 | 0 | 108 | P27 V30 L55 K58 L132 | P27-F155 HydrophobicContact CB-CD2 4.19Å; P27-F155 HydrophobicContact CG-CB 3.66Å; P27-F155 HydrophobicContact CG-CD1 4.36Å; P27-F155 HydrophobicContact CG-CD2 3.56Å; P27-F155 HydrophobicContact CG-CE2 4.25Å; P27-F155 HydrophobicContact CG-CG 3.6Å; V30-F155 HydrophobicContact CG2-CE2 3.96Å; V30-F155 HydrophobicContact CG2-CZ 3.9Å; L55-F155 HydrophobicContact CD2-CE1 4.44Å; L55-F155 HydrophobicContact CD2-CZ 4.27Å; K58-F155 HydrophobicContact CG-CE1 4.47Å; L132-F155 HydrophobicContact CD2-CD1 3.53Å; L132-F155 HydrophobicContact CD2-CE1 3.71Å; L132-F155 HydrophobicContact CD2-CG 4.3Å |
| 156 | L | 89.9 | Confident | 80.6 | Confident | 60 Ų | 60 | 82.2 Ų | 82.2 | 31% | 0.314 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 140.3 | 175.1 | -63.9 | 176.4 | 0 | 0 | 0 | 109.2 | C131 H133 K158 | C131-L156 HydrophobicContact CB-CB 4.24Å; C131-L156 PolarHBondContact O-N 3.05Å; H133-L156 HydrophobicContact CB-CD1 4.3Å; H133-L156 HydrophobicContact CB-CD2 3.87Å; H133-L156 HydrophobicContact CB-CG 4.04Å; L156-K158 PolarHBondContact O-N 3.18Å |
| 157 | P | 81.1 | Confident | 80.3 | Confident | 52 Ų | 52 | 79.8 Ų | 79.8 | 34% | 0.338 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 136.4 | 178.2 | 26.4 | -33.8 | 0 | 0 | 0 | 109.6 | L22 | L22-P157 HydrophobicContact CB-CB 3.77Å; L22-P157 HydrophobicContact CB-CG 4.49Å; L22-P157 HydrophobicContact CD1-CB 4.47Å |
| 158 | K | 70.5 | Confident | 79.6 | Confident | 136 Ų | 136 | 79.5 Ų | 79.5 | 59% | 0.591 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -88.3 | 134.4 | 168.8 | -68.7 | -171.9 | 175 | -166.2 | 0 | 107.6 | C131 L156 P160 | C131-K158 HydrophobicContact CB-CG 4.32Å; L156-K158 PolarHBondContact O-N 3.18Å; K158-P160 WeakPolarHBondContact O-CD 3.22Å |
| 159 | T | 65 | Low | 78.7 | Confident | 127 Ų | 127 | 82.5 Ų | 82.5 | 78% | 0.779 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 124.2 | 162.7 | 6 | 0 | 0 | 0 | 0 | 107.9 | I161 | T159-I161 PolarHBondContact O-N 3.19Š|
| 160 | P | 60.4 | Low | 77.7 | Confident | 64 Ų | 64 | 85.9 Ų | 85.9 | 42% | 0.416 | 44% | 0.44 | S | S | . | . | trans | -67.5 | 104.9 | -179 | 25.9 | -32.4 | 0 | 0 | 0 | 109.1 | K158 F162 R163 | K158-P160 WeakPolarHBondContact O-CD 3.22Å; P160-F162 PolarHBondContact O-N 3.36Å; P160-R163 PolarHBondContact O-N 3.39Å; P160-R163 VanDerWaalsContact O-N 3.16Å | ||
| 161 | I | 61.2 | Low | 76.4 | Confident | 150 Ų | 150 | 91.7 Ų | 91.7 | 77% | 0.769 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -6.5 | 177.7 | 56.5 | 168.8 | 0 | 0 | 0 | 114.5 | T159 | T159-I161 PolarHBondContact O-N 3.19Š|
| 162 | F | 60.5 | Low | 74.9 | Confident | 188 Ų | 188 | 98.2 Ų | 98.2 | 83% | 0.825 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 3.2 | 179.6 | -66.8 | -72.1 | 0 | 0 | 0 | 113.5 | P160 P164 | P160-F162 PolarHBondContact O-N 3.36Å; F162-P164 WeakPolarHBondContact O-CD 3.47Å |
| 163 | R | 55.6 | Low | 73.2 | Confident | 163 Ų | 163 | 105.8 Ų | 105.8 | 62% | 0.615 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -74.9 | 119.2 | 167.1 | -129.3 | 178.4 | -175 | 135.8 | -3 | 107.2 | P160 | P160-R163 PolarHBondContact O-N 3.39Å; P160-R163 VanDerWaalsContact O-N 3.16Å |
| 164 | P | 60.9 | Low | 71.3 | Confident | 116 Ų | 116 | 114.6 Ų | 114.6 | 75% | 0.753 | 59% | 0.587 | S | S | * | * | trans | -61.3 | 140.5 | 165.1 | 27.4 | -30.8 | 0 | 0 | 0 | 108.1 | F162 | F162-P164 WeakPolarHBondContact O-CD 3.47Š| ||
| 165 | D | 62.6 | Low | 69.1 | Low | 240 Ų | 240 | 120.5 Ų | 120.5 | 100% | 1.283 | 62% | 0.619 | S | S | * | * | trans | -54.7 | 0 | 167.2 | -63.6 | -33.7 | 0 | 0 | 0 | 111.1 |
Retrieved 165 of 165 residues in 642.9 ms
(Link to these results)