| 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 | K | 28.1 | Very low | 63.3 | Low | 258 Ų | 258 | 116.5 Ų | 116.5 | 100% | 1.122 | 58% | 0.575 | S | S | * | * | 0 | 94.3 | 0 | -72.3 | 179.9 | 178.4 | 175.8 | 0 | 107.1 | |||||
| 2 | Y | 38.6 | Very low | 65.5 | Low | 210 Ų | 210 | 113.9 Ų | 113.9 | 82% | 0.824 | 57% | 0.565 | S | S | * | * | trans | -74.2 | 136.6 | -177.3 | -66.6 | -86.2 | 0 | 0 | 0 | 109.6 | N4 | Y2-N4 PolarHBondContact O-N 3.26Š| ||
| 3 | C | 42.8 | Very low | 67.4 | Low | 87 Ų | 87 | 107.5 Ų | 107.5 | 59% | 0.588 | 55% | 0.546 | S | S | * | . | trans | -62.2 | 121.8 | -179.7 | -173.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 4 | N | 48.2 | Very low | 69.1 | Low | 141 Ų | 141 | 101.9 Ų | 101.9 | 75% | 0.754 | 52% | 0.524 | S | S | * | . | trans | -96.7 | 17.6 | -173.8 | -99.8 | -17.8 | 0 | 0 | 0 | 113.8 | Y2 C6 | Y2-N4 PolarHBondContact O-N 3.26Å; N4-C6 PolarHBondContact O-N 3.18Å | ||
| 5 | I | 58.9 | Low | 70.8 | Confident | 118 Ų | 118 | 104.3 Ų | 104.3 | 61% | 0.605 | 52% | 0.524 | S | S | * | . | trans | -78.1 | 96.5 | -179.4 | -53.8 | 175.2 | 0 | 0 | 0 | 108.9 | E9 | I5-E9 HydrophobicContact CG2-CB 4.37Š| ||
| 6 | C | 69.3 | Low | 72.3 | Confident | 61 Ų | 61 | 108.1 Ų | 108.1 | 41% | 0.412 | 53% | 0.53 | S | S | . | . | trans | -79 | 154.9 | 172.5 | -171.4 | 0 | 0 | 0 | 0 | 110.3 | N4 E8 E9 A10 | N4-C6 PolarHBondContact O-N 3.18Å; C6-E8 PolarHBondContact O-N 3.22Å; C6-E8 VanDerWaalsContact O-N 3.07Å; C6-E9 PolarHBondContact O-N 3.34Å; C6-A10 PolarHBondContact O-N 3.19Å | ||
| 7 | E | 76.5 | Confident | 73.5 | Confident | 75 Ų | 75 | 108.8 Ų | 108.8 | 35% | 0.35 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -49.8 | -35.2 | 175.7 | -178.5 | 177.4 | 173.8 | 0 | 0 | 112.7 | E9 A10 K11 F33 V35 | E7-E9 PolarHBondContact O-N 3.39Å; E7-A10 PolarHBondContact O-N 3.09Å; E7-K11 WeakPolarHBondContact O-CB 3.49Å; E7-K11 PolarHBondContact O-N 3.45Å; E7-F33 HydrophobicContact CG-CE1 4.36Å; E7-V35 HydrophobicContact CG-CG2 3.97Å |
| 8 | E | 80 | Confident | 74.7 | Confident | 119 Ų | 119 | 103.4 Ų | 103.4 | 56% | 0.556 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.1 | -38.1 | 177.2 | -68.1 | -57.8 | 145.9 | 0 | 0 | 113.1 | C6 K11 L12 | C6-E8 PolarHBondContact O-N 3.22Å; C6-E8 VanDerWaalsContact O-N 3.07Å; E8-K11 PolarHBondContact O-N 3.05Å; E8-L12 WeakPolarHBondContact O-CB 3.5Å; E8-L12 PolarHBondContact O-N 3.03Å |
| 9 | E | 83.2 | Confident | 75.8 | Confident | 110 Ų | 110 | 105.6 Ų | 105.6 | 51% | 0.514 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.8 | -40.8 | 176 | -65 | -166 | 158.3 | 0 | 0 | 111.2 | I5 C6 E7 K11 L12 G13 | I5-E9 HydrophobicContact CG2-CB 4.37Å; C6-E9 PolarHBondContact O-N 3.34Å; E7-E9 PolarHBondContact O-N 3.39Å; E9-K11 VanDerWaalsContact C-N 3.33Å; E9-K11 PolarHBondContact O-N 3.35Å; E9-L12 PolarHBondContact O-N 3.44Å; E9-G13 PolarHBondContact O-N 3.03Å |
| 10 | A | 83.5 | Confident | 76.8 | Confident | 41 Ų | 41 | 104.1 Ų | 104.1 | 34% | 0.339 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | C6 E7 G13 A14 F33 | C6-A10 PolarHBondContact O-N 3.19Å; E7-A10 PolarHBondContact O-N 3.09Å; A10-G13 PolarHBondContact O-N 3.4Å; A10-A14 PolarHBondContact O-N 2.92Å; A10-F33 HydrophobicContact CB-CZ 4.16Å |
| 11 | K | 87.5 | Confident | 77.7 | Confident | 61 Ų | 61 | 102.7 Ų | 102.7 | 27% | 0.265 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 176.1 | -170.9 | 177.5 | -177.8 | 179.2 | 0 | 112.1 | E7 E8 E9 A14 R15 F30 F33 | E7-K11 WeakPolarHBondContact O-CB 3.49Å; E7-K11 PolarHBondContact O-N 3.45Å; E8-K11 PolarHBondContact O-N 3.05Å; E9-K11 VanDerWaalsContact C-N 3.33Å; E9-K11 PolarHBondContact O-N 3.35Å; K11-A14 PolarHBondContact O-N 2.9Å; K11-R15 WeakPolarHBondContact O-CG 3.47Å; K11-R15 PolarHBondContact O-N 3.35Å; K11-F30 HydrophobicContact CG-CZ 4.29Å; K11-F33 HydrophobicContact CB-CD1 4.12Å; K11-F33 HydrophobicContact CB-CE1 3.74Å; K11-F33 HydrophobicContact CB-CE2 4.31Å; K11-F33 HydrophobicContact CB-CZ 3.84Å; K11-F33 HydrophobicContact CD-CD1 4.23Å; K11-F33 HydrophobicContact CD-CE1 4.48Å; K11-F33 HydrophobicContact CG-CD1 3.95Å; K11-F33 HydrophobicContact CG-CE1 4.1Å; K11-F33 HydrophobicContact CG-CG 4.17Å; K11-F33 HydrophobicContact CG-CZ 4.46Å |
| 12 | L | 89.9 | Confident | 81 | Confident | 86 Ų | 86 | 94 Ų | 94 | 45% | 0.45 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 175.2 | -177.6 | 63.1 | 0 | 0 | 0 | 111.4 | E8 E9 R15 R16 | E8-L12 WeakPolarHBondContact O-CB 3.5Å; E8-L12 PolarHBondContact O-N 3.03Å; E9-L12 PolarHBondContact O-N 3.44Å; L12-R15 PolarHBondContact O-N 2.98Å; L12-R16 WeakPolarHBondContact O-CG 3.49Å; L12-R16 PolarHBondContact O-N 3.2Å |
| 13 | G | 89.5 | Confident | 83.7 | Confident | 31 Ų | 31 | 91.9 Ų | 91.9 | 32% | 0.32 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.3 | -47.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E9 A10 R15 R16 L17 | E9-G13 PolarHBondContact O-N 3.03Å; A10-G13 PolarHBondContact O-N 3.4Å; G13-R15 VanDerWaalsContact C-N 3.32Å; G13-R15 PolarHBondContact O-N 3.1Å; G13-R16 WeakPolarHBondContact O-CB 3.47Å; G13-R16 PolarHBondContact O-N 3.27Å; G13-R16 VanDerWaalsContact O-N 3.14Å; G13-L17 PolarHBondContact O-N 3Å |
| 14 | A | 91.4 | Very high | 86.2 | Confident | 29 Ų | 29 | 93.8 Ų | 93.8 | 24% | 0.24 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A10 K11 L17 A18 F30 F33 | A10-A14 PolarHBondContact O-N 2.92Å; K11-A14 PolarHBondContact O-N 2.9Å; A14-L17 PolarHBondContact O-N 3.04Å; A14-A18 PolarHBondContact O-N 3.37Å; A14-F30 HydrophobicContact CB-CE2 3.81Å; A14-F30 HydrophobicContact CB-CZ 4.33Å; A14-F33 HydrophobicContact CB-CD2 3.97Å; A14-F33 HydrophobicContact CB-CE2 3.8Å |
| 15 | R | 94 | Very high | 88.5 | Confident | 137 Ų | 137 | 90.1 Ų | 90.1 | 52% | 0.517 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 173.6 | -76.5 | 176.3 | 170 | -176.3 | -3 | 112.5 | K11 L12 G13 L17 A18 R19 F30 | K11-R15 WeakPolarHBondContact O-CG 3.47Å; K11-R15 PolarHBondContact O-N 3.35Å; L12-R15 PolarHBondContact O-N 2.98Å; G13-R15 VanDerWaalsContact C-N 3.32Å; G13-R15 PolarHBondContact O-N 3.1Å; R15-L17 VanDerWaalsContact C-N 3.33Å; R15-L17 PolarHBondContact O-N 3.49Å; R15-A18 PolarHBondContact O-N 3.32Å; R15-R19 PolarHBondContact O-N 3.02Å; R15-F30 HydrophobicContact CG-CD1 4.04Å; R15-F30 HydrophobicContact CG-CD2 4.16Å; R15-F30 HydrophobicContact CG-CE1 3.77Å; R15-F30 HydrophobicContact CG-CE2 3.89Å; R15-F30 HydrophobicContact CG-CG 4.23Å; R15-F30 HydrophobicContact CG-CZ 3.68Å |
| 16 | R | 94.9 | Very high | 90.2 | Very high | 165 Ų | 165 | 90.6 Ų | 90.6 | 62% | 0.623 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.7 | -43.7 | 176.1 | -72.9 | 175 | 178.7 | 179.4 | 0.6 | 111 | L12 G13 R19 C20 | L12-R16 WeakPolarHBondContact O-CG 3.49Å; L12-R16 PolarHBondContact O-N 3.2Å; G13-R16 WeakPolarHBondContact O-CB 3.47Å; G13-R16 PolarHBondContact O-N 3.27Å; G13-R16 VanDerWaalsContact O-N 3.14Å; R16-R19 WeakPolarHBondContact O-CB 3.37Å; R16-R19 PolarHBondContact O-N 2.97Å; R16-C20 PolarHBondContact O-N 3.28Å; R16-C20 PolarHBondContact O-SG 3.14Å; R16-C20 VanDerWaalsContact O-SG 3.35Å |
| 17 | L | 94 | Very high | 91.4 | Very high | 121 Ų | 121 | 98.1 Ų | 98.1 | 63% | 0.634 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61 | -47 | 175.3 | -69 | 173.3 | 0 | 0 | 0 | 112.1 | G13 A14 R15 R19 C20 L21 | G13-L17 PolarHBondContact O-N 3Å; A14-L17 PolarHBondContact O-N 3.04Å; R15-L17 VanDerWaalsContact C-N 3.33Å; R15-L17 PolarHBondContact O-N 3.49Å; L17-R19 PolarHBondContact O-N 3.39Å; L17-C20 WeakPolarHBondContact O-CB 3.45Å; L17-C20 PolarHBondContact O-N 3.14Å; L17-C20 VanDerWaalsContact O-N 3.1Å; L17-L21 PolarHBondContact O-N 2.96Å |
| 18 | A | 94.9 | Very high | 92.3 | Very high | 11 Ų | 11 | 96.4 Ų | 96.4 | 9% | 0.091 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -57.7 | -38.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A14 R15 L21 Q22 V28 F30 | A14-A18 PolarHBondContact O-N 3.37Å; R15-A18 PolarHBondContact O-N 3.32Å; A18-L21 PolarHBondContact O-N 3.4Å; A18-Q22 WeakPolarHBondContact O-CG 3.45Å; A18-Q22 PolarHBondContact O-N 3.39Å; A18-V28 HydrophobicContact CB-CG1 4.13Å; A18-F30 HydrophobicContact CB-CB 4.49Å; A18-F30 HydrophobicContact CB-CD2 4.14Å |
| 19 | R | 95.6 | Very high | 92.8 | Very high | 146 Ų | 146 | 101.9 Ų | 101.9 | 55% | 0.551 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.2 | -38.4 | 176.4 | -171.4 | 57.2 | 173.3 | 176.1 | 1.7 | 112.7 | R15 R16 L17 L21 Q22 K23 | R15-R19 PolarHBondContact O-N 3.02Å; R16-R19 WeakPolarHBondContact O-CB 3.37Å; R16-R19 PolarHBondContact O-N 2.97Å; L17-R19 PolarHBondContact O-N 3.39Å; R19-L21 VanDerWaalsContact C-N 3.34Å; R19-Q22 PolarHBondContact O-N 2.88Å; R19-K23 WeakPolarHBondContact O-CG 3.42Å; R19-K23 PolarHBondContact O-N 3.46Å; R19-K23 VanDerWaalsContact O-N 3.09Å |
| 20 | C | 95.9 | Very high | 93.2 | Very high | 74 Ų | 74 | 100.3 Ų | 100.3 | 50% | 0.5 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 173.5 | -67.8 | 0 | 0 | 0 | 0 | 111.2 | R16 L17 Q22 K23 L24 | R16-C20 PolarHBondContact O-N 3.28Å; R16-C20 PolarHBondContact O-SG 3.14Å; R16-C20 VanDerWaalsContact O-SG 3.35Å; L17-C20 WeakPolarHBondContact O-CB 3.45Å; L17-C20 PolarHBondContact O-N 3.14Å; L17-C20 VanDerWaalsContact O-N 3.1Å; C20-Q22 PolarHBondContact O-N 2.98Å; C20-K23 WeakPolarHBondContact O-CB 3.49Å; C20-K23 PolarHBondContact O-N 2.94Å; C20-L24 WeakPolarHBondContact O-CG 3.38Å; C20-L24 PolarHBondContact O-N 3.28Å |
| 21 | L | 95.6 | Very high | 93.6 | Very high | 76 Ų | 76 | 102.9 Ų | 102.9 | 40% | 0.398 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.5 | -39.1 | 176.8 | -65.3 | 172.2 | 0 | 0 | 0 | 112.5 | L17 A18 R19 K23 L24 F26 V28 | L17-L21 PolarHBondContact O-N 2.96Å; A18-L21 PolarHBondContact O-N 3.4Å; R19-L21 VanDerWaalsContact C-N 3.34Å; L21-K23 VanDerWaalsContact C-N 3.32Å; L21-K23 PolarHBondContact O-N 3.43Å; L21-L24 PolarHBondContact O-N 3.29Å; L21-F26 HydrophobicContact CD2-CD2 4.45Å; L21-F26 WeakPolarHBondContact O-CB 3.37Å; L21-F26 WeakPolarHBondContact O-CD2 3.4Å; L21-F26 PolarHBondContact O-N 3.5Å; L21-V28 HydrophobicContact CB-CG2 3.71Å; L21-V28 HydrophobicContact CD1-CG2 4.27Å |
| 22 | Q | 96 | Very high | 93.5 | Very high | 74 Ų | 74 | 104.8 Ų | 104.8 | 35% | 0.346 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.6 | -40.8 | 173.7 | -73.4 | 175.3 | -11.3 | 0 | 0 | 112.4 | A18 R19 C20 L24 G25 V28 | A18-Q22 WeakPolarHBondContact O-CG 3.45Å; A18-Q22 PolarHBondContact O-N 3.39Å; R19-Q22 PolarHBondContact O-N 2.88Å; C20-Q22 PolarHBondContact O-N 2.98Å; Q22-L24 PolarHBondContact O-N 2.89Å; Q22-G25 PolarHBondContact O-N 3.31Å; Q22-V28 HydrophobicContact CG-CB 4.15Å; Q22-V28 PolarHBondContact NE2-O 2.93Å |
| 23 | K | 96.1 | Very high | 93.3 | Very high | 166 Ų | 166 | 103.8 Ų | 103.8 | 72% | 0.722 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.1 | -26.4 | 177.5 | -72.9 | -178.6 | 177.4 | -173.8 | 0 | 112.8 | R19 C20 L21 G25 | R19-K23 WeakPolarHBondContact O-CG 3.42Å; R19-K23 PolarHBondContact O-N 3.46Å; R19-K23 VanDerWaalsContact O-N 3.09Å; C20-K23 WeakPolarHBondContact O-CB 3.49Å; C20-K23 PolarHBondContact O-N 2.94Å; L21-K23 VanDerWaalsContact C-N 3.32Å; L21-K23 PolarHBondContact O-N 3.43Å; K23-G25 PolarHBondContact O-N 3.33Å |
| 24 | L | 96 | Very high | 92.9 | Very high | 127 Ų | 127 | 111.5 Ų | 111.5 | 67% | 0.665 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | 4.4 | 174.2 | -65.4 | 171.3 | 0 | 0 | 0 | 113.2 | C20 L21 Q22 F26 | C20-L24 WeakPolarHBondContact O-CG 3.38Å; C20-L24 PolarHBondContact O-N 3.28Å; L21-L24 PolarHBondContact O-N 3.29Å; Q22-L24 PolarHBondContact O-N 2.89Å; L24-F26 HydrophobicContact CB-CD2 3.76Å; L24-F26 HydrophobicContact CB-CE2 3.83Å; L24-F26 HydrophobicContact CD1-CE2 4.44Å |
| 25 | G | 95.8 | Very high | 92.3 | Very high | 65 Ų | 65 | 111.7 Ų | 111.7 | 67% | 0.67 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.7 | 1.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q22 K23 | Q22-G25 PolarHBondContact O-N 3.31Å; K23-G25 PolarHBondContact O-N 3.33Å |
| 26 | F | 95.6 | Very high | 91.5 | Very high | 127 Ų | 127 | 109.4 Ų | 109.4 | 56% | 0.557 | 54% | 0.544 | S | S | * | . | trans | -76.1 | 134.5 | 176.2 | -62.3 | -79.2 | 0 | 0 | 0 | 111.4 | L21 L24 V28 | L21-F26 HydrophobicContact CD2-CD2 4.45Å; L21-F26 WeakPolarHBondContact O-CB 3.37Å; L21-F26 WeakPolarHBondContact O-CD2 3.4Å; L21-F26 PolarHBondContact O-N 3.5Å; L24-F26 HydrophobicContact CB-CD2 3.76Å; L24-F26 HydrophobicContact CB-CE2 3.83Å; L24-F26 HydrophobicContact CD1-CE2 4.44Å; F26-V28 VanDerWaalsContact C-N 3.28Å; F26-V28 HydrophobicContact CB-CG2 3.8Å; F26-V28 PolarHBondContact O-N 3.07Å | ||
| 27 | K | 93.9 | Very high | 90.6 | Very high | 219 Ų | 219 | 105.5 Ų | 105.5 | 95% | 0.952 | 54% | 0.535 | S | S | * | . | trans | -75.3 | 77.1 | 173.2 | -70.6 | -179.4 | -178.6 | 175.7 | 0 | 110.8 | ||||
| 28 | V | 94.6 | Very high | 89.7 | Confident | 40 Ų | 40 | 102 Ų | 102 | 24% | 0.242 | 52% | 0.519 | C | S | . | . | trans | -98.5 | 132 | -179.3 | -178.9 | 0 | 0 | 0 | 0 | 111.5 | A18 L21 Q22 F26 | A18-V28 HydrophobicContact CB-CG1 4.13Å; L21-V28 HydrophobicContact CB-CG2 3.71Å; L21-V28 HydrophobicContact CD1-CG2 4.27Å; Q22-V28 HydrophobicContact CG-CB 4.15Å; Q22-V28 PolarHBondContact NE2-O 2.93Å; F26-V28 VanDerWaalsContact C-N 3.28Å; F26-V28 HydrophobicContact CB-CG2 3.8Å; F26-V28 PolarHBondContact O-N 3.07Å | ||
| 29 | R | 92 | Very high | 89 | Confident | 233 Ų | 233 | 106.3 Ų | 106.3 | 88% | 0.879 | 54% | 0.54 | S | S | * | . | trans | -113.3 | 136.8 | 169.1 | -60.2 | -174 | -167.1 | -169.2 | 4.2 | 109.5 | ||||
| 30 | F | 90.9 | Very high | 88.3 | Confident | 78 Ų | 78 | 100.3 Ų | 100.3 | 34% | 0.342 | 52% | 0.521 | S | S | . | . | trans | -93.8 | 109.7 | 176.3 | -173.8 | -93.8 | 0 | 0 | 0 | 109.7 | K11 A14 R15 A18 F33 | K11-F30 HydrophobicContact CG-CZ 4.29Å; A14-F30 HydrophobicContact CB-CE2 3.81Å; A14-F30 HydrophobicContact CB-CZ 4.33Å; R15-F30 HydrophobicContact CG-CD1 4.04Å; R15-F30 HydrophobicContact CG-CD2 4.16Å; R15-F30 HydrophobicContact CG-CE1 3.77Å; R15-F30 HydrophobicContact CG-CE2 3.89Å; R15-F30 HydrophobicContact CG-CG 4.23Å; R15-F30 HydrophobicContact CG-CZ 3.68Å; A18-F30 HydrophobicContact CB-CB 4.49Å; A18-F30 HydrophobicContact CB-CD2 4.14Å; F30-F33 HydrophobicContact CE1-CB 4.1Å; F30-F33 HydrophobicContact CE2-CD2 4.42Å; F30-F33 HydrophobicContact CZ-CB 3.75Å; F30-F33 AromaticContact CZ-CD2 3.96Å; F30-F33 HydrophobicContact CZ-CD2 3.96Å; F30-F33 HydrophobicContact CZ-CG 4.08Å | ||
| 31 | S | 90.8 | Very high | 87.7 | Confident | 95 Ų | 95 | 100.8 Ų | 100.8 | 66% | 0.664 | 52% | 0.522 | S | S | * | . | trans | -147.4 | 163.6 | 178.6 | 58.9 | 0 | 0 | 0 | 0 | 110.6 | F33 | S31-F33 VanDerWaalsContact C-N 3.27Å; S31-F33 PolarHBondContact O-N 3.35Å; S31-F33 VanDerWaalsContact O-N 3.14Å | ||
| 32 | A | 85.7 | Confident | 87 | Confident | 101 Ų | 101 | 98.4 Ų | 98.4 | 84% | 0.835 | 51% | 0.511 | S | S | * | . | trans | 51.6 | 37.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | R34 | A32-R34 PolarHBondContact O-N 2.95Š| ||
| 33 | F | 86.3 | Confident | 86.4 | Confident | 64 Ų | 64 | 98.9 Ų | 98.9 | 28% | 0.281 | 52% | 0.523 | S | S | . | . | trans | -59.1 | 128.9 | 173.3 | 176.5 | -94.9 | 0 | 0 | 0 | 110.2 | E7 A10 K11 A14 F30 S31 V35 | E7-F33 HydrophobicContact CG-CE1 4.36Å; A10-F33 HydrophobicContact CB-CZ 4.16Å; K11-F33 HydrophobicContact CB-CD1 4.12Å; K11-F33 HydrophobicContact CB-CE1 3.74Å; K11-F33 HydrophobicContact CB-CE2 4.31Å; K11-F33 HydrophobicContact CB-CZ 3.84Å; K11-F33 HydrophobicContact CD-CD1 4.23Å; K11-F33 HydrophobicContact CD-CE1 4.48Å; K11-F33 HydrophobicContact CG-CD1 3.95Å; K11-F33 HydrophobicContact CG-CE1 4.1Å; K11-F33 HydrophobicContact CG-CG 4.17Å; K11-F33 HydrophobicContact CG-CZ 4.46Å; A14-F33 HydrophobicContact CB-CD2 3.97Å; A14-F33 HydrophobicContact CB-CE2 3.8Å; F30-F33 HydrophobicContact CE1-CB 4.1Å; F30-F33 HydrophobicContact CE2-CD2 4.42Å; F30-F33 HydrophobicContact CZ-CB 3.75Å; F30-F33 AromaticContact CZ-CD2 3.96Å; F30-F33 HydrophobicContact CZ-CD2 3.96Å; F30-F33 HydrophobicContact CZ-CG 4.08Å; S31-F33 VanDerWaalsContact C-N 3.27Å; S31-F33 PolarHBondContact O-N 3.35Å; S31-F33 VanDerWaalsContact O-N 3.14Å; F33-V35 HydrophobicContact CE1-CG2 4.01Å; F33-V35 HydrophobicContact CZ-CG2 4.11Å | ||
| 34 | R | 81.9 | Confident | 85.8 | Confident | 194 Ų | 194 | 92.5 Ų | 92.5 | 73% | 0.732 | 50% | 0.496 | S | S | * | . | trans | -145.7 | 131.9 | 178.4 | -176.5 | 176.8 | 68.1 | -168.7 | 0.5 | 109.7 | A32 | A32-R34 PolarHBondContact O-N 2.95Š| ||
| 35 | V | 78.4 | Confident | 85.3 | Confident | 32 Ų | 32 | 92.5 Ų | 92.5 | 19% | 0.194 | 50% | 0.503 | C | S | . | . | trans | -75.6 | 123.4 | 168.1 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | E7 F33 V38 | E7-V35 HydrophobicContact CG-CG2 3.97Å; F33-V35 HydrophobicContact CE1-CG2 4.01Å; F33-V35 HydrophobicContact CZ-CG2 4.11Å; V35-V38 HydrophobicContact CG1-CG2 3.9Å | ||
| 36 | V | 76 | Confident | 84.8 | Confident | 90 Ų | 90 | 93.6 Ų | 93.6 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | trans | -105.1 | -25.3 | -176.1 | -66.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 37 | N | 76.3 | Confident | 84.5 | Confident | 82 Ų | 82 | 91 Ų | 91 | 44% | 0.439 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 147.7 | -178.6 | -165.9 | 33.2 | 0 | 0 | 0 | 109.4 | T93 G94 | N37-T93 WeakPolarHBondContact ND2-CG2 3.47Å; N37-T93 WeakPolarHBondContact OD1-CG2 3.44Å; N37-G94 PolarHBondContact OD1-O 3.33Å |
| 38 | V | 75.9 | Confident | 84.2 | Confident | 48 Ų | 48 | 81.4 Ų | 81.4 | 29% | 0.291 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 139.5 | 175.1 | -179.9 | 0 | 0 | 0 | 0 | 108.4 | V35 T93 G94 M111 | V35-V38 HydrophobicContact CG1-CG2 3.9Å; V38-T93 WeakPolarHBondContact O-CA 3.17Å; V38-G94 PolarHBondContact N-O 2.95Å; V38-G94 PolarHBondContact O-N 3.37Å; V38-G94 VanDerWaalsContact O-N 3.07Å; V38-M111 HydrophobicContact CB-CE 4.3Å; V38-M111 HydrophobicContact CB-SD 3.54Å; V38-M111 VanDerWaalsContact CB-SD 3.54Å; V38-M111 HydrophobicContact CG1-SD 3.88Å; V38-M111 HydrophobicContact CG2-CE 4.36Å; V38-M111 HydrophobicContact CG2-SD 3.99Å |
| 39 | L | 80.6 | Confident | 84.1 | Confident | 102 Ų | 102 | 86.6 Ų | 86.6 | 53% | 0.534 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 122.1 | 173.3 | -173.9 | 70.1 | 0 | 0 | 0 | 108.2 | T91 V92 T93 | L39-T91 HydrophobicContact CD1-CG2 3.32Å; L39-T91 HydrophobicContact CG-CG2 4.2Å; L39-V92 CarbonylContact C-O 3.6Å; L39-V92 WeakPolarHBondContact CA-O 3.44Å; L39-T93 WeakPolarHBondContact CD1-OG1 3.34Å |
| 40 | A | 80.6 | Confident | 84.1 | Confident | 19 Ų | 19 | 75.9 Ų | 75.9 | 16% | 0.157 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 139.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | T91 V92 L115 | A40-T91 CarbonylContact O-C 3.55Å; A40-T91 WeakPolarHBondContact O-CA 3.36Å; A40-V92 HydrophobicContact CB-CB 4.4Å; A40-V92 PolarHBondContact N-O 3.23Å; A40-V92 PolarHBondContact O-N 2.77Å; A40-L115 HydrophobicContact CB-CD1 4.38Å; A40-L115 HydrophobicContact CB-CD2 3.58Å |
| 41 | V | 81.7 | Confident | 84.2 | Confident | 84 Ų | 84 | 76.7 Ų | 76.7 | 51% | 0.509 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 136.1 | 176.7 | -177.4 | 0 | 0 | 0 | 0 | 108.5 | L90 T91 | V41-L90 WeakPolarHBondContact CA-O 3.42Å; V41-T91 HydrophobicContact CG2-CG2 4.26Å |
| 42 | C | 82.6 | Confident | 84.2 | Confident | 27 Ų | 27 | 76.2 Ų | 76.2 | 18% | 0.182 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 162.7 | 179.2 | 39.4 | 0 | 0 | 0 | 0 | 109.4 | L90 F119 | C42-L90 PolarHBondContact N-O 2.83Å; C42-L90 PolarHBondContact O-N 3.32Å; C42-L90 VanDerWaalsContact O-O 3.13Å; C42-L90 VanDerWaalsContact SG-CB 3.58Å; C42-F119 HydrophobicContact CB-CZ 4.27Å; C42-F119 WeakPolarHBondContact SG-CZ 3.42Å |
| 43 | S | 83.1 | Confident | 84.3 | Confident | 83 Ų | 83 | 72 Ų | 72 | 58% | 0.58 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 129 | 177.5 | -165.3 | 0 | 0 | 0 | 0 | 108.7 | ||
| 44 | M | 83.6 | Confident | 84.5 | Confident | 32 Ų | 32 | 69.2 Ų | 69.2 | 16% | 0.158 | 39% | 0.385 | C | S | . | . | trans | -75.4 | 153.2 | 166.9 | -59.5 | -56.8 | -86.9 | 0 | 0 | 109.4 | F46 G88 L90 F119 V125 | M44-F46 HydrophobicContact CB-CD2 4.35Å; M44-F46 HydrophobicContact CB-CE1 4.39Å; M44-F46 HydrophobicContact CB-CE2 4.23Å; M44-F46 HydrophobicContact CB-CG 4.49Å; M44-F46 HydrophobicContact CB-CZ 4.27Å; M44-F46 HydrophobicContact CE-CE1 3.81Å; M44-F46 HydrophobicContact CE-CE2 4.27Å; M44-F46 HydrophobicContact CE-CZ 3.42Å; M44-F46 VanDerWaalsContact CE-CZ 3.42Å; M44-F46 HydrophobicContact CG-CZ 4.44Å; M44-F46 PolarHBondContact O-N 3.07Å; M44-G88 WeakPolarHBondContact CB-O 3.08Å; M44-G88 PolarHBondContact N-O 3.48Å; M44-L90 HydrophobicContact CG-CD1 3.64Å; M44-L90 HydrophobicContact CG-CG 4.38Å; M44-L90 HydrophobicContact SD-CD1 3.96Å; M44-F119 HydrophobicContact CE-CD1 4.38Å; M44-F119 HydrophobicContact CE-CE1 4.27Å; M44-F119 HydrophobicContact SD-CD1 4.14Å; M44-F119 HydrophobicContact SD-CE1 3.51Å; M44-F119 VanDerWaalsContact SD-CE1 3.51Å; M44-F119 HydrophobicContact SD-CZ 4.41Å; M44-V125 HydrophobicContact CE-CG2 4.41Å | ||
| 45 | P | 84.8 | Confident | 85 | Confident | 127 Ų | 127 | 66.8 Ų | 66.8 | 83% | 0.825 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -77.6 | 3.2 | 175.8 | 31.7 | -33.3 | 0 | 0 | 0 | 113.1 | ||
| 46 | F | 85.4 | Confident | 85.5 | Confident | 89 Ų | 89 | 71.4 Ų | 71.4 | 39% | 0.39 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -137.2 | 154.9 | -176.3 | 53.4 | -102.7 | 0 | 0 | 0 | 112.2 | M44 V48 G88 | M44-F46 HydrophobicContact CB-CD2 4.35Å; M44-F46 HydrophobicContact CB-CE1 4.39Å; M44-F46 HydrophobicContact CB-CE2 4.23Å; M44-F46 HydrophobicContact CB-CG 4.49Å; M44-F46 HydrophobicContact CB-CZ 4.27Å; M44-F46 HydrophobicContact CE-CE1 3.81Å; M44-F46 HydrophobicContact CE-CE2 4.27Å; M44-F46 HydrophobicContact CE-CZ 3.42Å; M44-F46 VanDerWaalsContact CE-CZ 3.42Å; M44-F46 HydrophobicContact CG-CZ 4.44Å; M44-F46 PolarHBondContact O-N 3.07Å; F46-V48 HydrophobicContact CD2-CG2 4.49Å; F46-V48 HydrophobicContact CE2-CG2 4.45Å; F46-G88 WeakPolarHBondContact O-CA 3.18Å |
| 47 | A | 89.2 | Confident | 85.9 | Confident | 73 Ų | 73 | 68.3 Ų | 68.3 | 60% | 0.603 | 38% | 0.384 | S | S | * | . | trans | -75.1 | 156.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S86 | A47-S86 CarbonylContact C-O 3.52Å; A47-S86 VanDerWaalsContact CA-O 3.26Å; A47-S86 WeakPolarHBondContact CA-O 3.49Å; A47-S86 VanDerWaalsContact CB-O 3.28Å; A47-S86 WeakPolarHBondContact CB-O 3.47Å | ||
| 48 | V | 88.6 | Confident | 86.5 | Confident | 17 Ų | 17 | 72.3 Ų | 72.3 | 10% | 0.103 | 39% | 0.393 | C | S | . | . | trans | -121.5 | 126.7 | -177.2 | -177.2 | 0 | 0 | 0 | 0 | 111 | F46 L50 F53 V84 S86 F124 | F46-V48 HydrophobicContact CD2-CG2 4.49Å; F46-V48 HydrophobicContact CE2-CG2 4.45Å; V48-L50 HydrophobicContact CB-CD2 4.27Å; V48-L50 HydrophobicContact CG1-CD2 4.03Å; V48-L50 PolarHBondContact O-N 3.02Å; V48-L50 VanDerWaalsContact O-N 3.1Å; V48-F53 HydrophobicContact CG1-CB 4.3Å; V48-V84 HydrophobicContact CB-CG1 4.22Å; V48-V84 HydrophobicContact CG1-CG1 4.04Å; V48-V84 HydrophobicContact CG2-CG1 4.17Å; V48-S86 PolarHBondContact N-O 3.17Å; V48-S86 WeakPolarHBondContact O-CA 3.29Å; V48-F124 HydrophobicContact CG1-CD1 4.25Å; V48-F124 HydrophobicContact CG1-CE1 3.5Å; V48-F124 HydrophobicContact CG1-CZ 4.24Å | ||
| 49 | H | 92.1 | Very high | 87.1 | Confident | 149 Ų | 149 | 76.2 Ų | 76.2 | 69% | 0.69 | 42% | 0.419 | S | S | * | . | trans | -76.5 | 92 | 170.6 | -71.5 | -83.4 | 0 | 0 | 0 | 110.5 | V51 D52 F53 | H49-V51 VanDerWaalsContact C-N 3.31Å; H49-V51 PolarHBondContact O-N 3.36Å; H49-D52 HydrophobicContact CB-CB 4.35Å; H49-D52 PolarHBondContact O-N 2.92Å; H49-F53 WeakPolarHBondContact O-CB 3.47Å; H49-F53 PolarHBondContact O-N 3.22Å | ||
| 50 | L | 92 | Very high | 87.4 | Confident | 7 Ų | 7 | 75.1 Ų | 75.1 | 4% | 0.037 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.8 | -35 | -171.6 | -59.7 | -176.4 | 0 | 0 | 0 | 113.8 | V48 T54 Y63 P69 A71 V84 | V48-L50 HydrophobicContact CB-CD2 4.27Å; V48-L50 HydrophobicContact CG1-CD2 4.03Å; V48-L50 PolarHBondContact O-N 3.02Å; V48-L50 VanDerWaalsContact O-N 3.1Å; L50-T54 WeakPolarHBondContact O-CB 3.41Å; L50-T54 VanDerWaalsContact O-CG2 3.31Å; L50-T54 WeakPolarHBondContact O-CG2 3.46Å; L50-T54 PolarHBondContact O-N 2.98Å; L50-T54 PolarHBondContact O-OG1 3.11Å; L50-Y63 HydrophobicContact CB-CD1 3.9Å; L50-Y63 HydrophobicContact CB-CD2 4.32Å; L50-Y63 HydrophobicContact CB-CE1 3.82Å; L50-Y63 HydrophobicContact CB-CE2 4.24Å; L50-Y63 HydrophobicContact CB-CG 4.15Å; L50-Y63 HydrophobicContact CD1-CD2 4.07Å; L50-Y63 HydrophobicContact CD1-CE1 4.33Å; L50-Y63 HydrophobicContact CD1-CE2 3.48Å; L50-Y63 VanDerWaalsContact CD1-CE2 3.48Å; L50-P69 WeakPolarHBondContact CD1-O 3.49Å; L50-A71 HydrophobicContact CB-CB 4.35Å; L50-A71 HydrophobicContact CD2-CB 3.95Å; L50-V84 HydrophobicContact CD2-CB 4.26Å; L50-V84 HydrophobicContact CD2-CG1 3.93Å; L50-V84 WeakPolarHBondContact CD2-O 3.44Å |
| 51 | V | 92.4 | Very high | 87.9 | Confident | 95 Ų | 95 | 74.4 Ų | 74.4 | 58% | 0.576 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -65 | -50.3 | 179 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | H49 T54 K55 Y63 | H49-V51 VanDerWaalsContact C-N 3.31Å; H49-V51 PolarHBondContact O-N 3.36Å; V51-T54 PolarHBondContact O-N 2.83Å; V51-T54 PolarHBondContact O-OG1 2.91Å; V51-T54 VanDerWaalsContact O-OG1 3.08Å; V51-K55 VanDerWaalsContact O-CB 3.32Å; V51-K55 WeakPolarHBondContact O-CB 3.37Å; V51-K55 PolarHBondContact O-N 3.27Å; V51-Y63 HydrophobicContact CG2-CD1 4.24Å; V51-Y63 HydrophobicContact CG2-CE1 4.12Å |
| 52 | D | 90.8 | Very high | 88.5 | Confident | 86 Ų | 86 | 72.5 Ų | 72.5 | 46% | 0.46 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67 | -42.3 | 179.3 | -61.7 | -42.2 | 0 | 0 | 0 | 111.3 | H49 T54 K55 N56 | H49-D52 HydrophobicContact CB-CB 4.35Å; H49-D52 PolarHBondContact O-N 2.92Å; D52-T54 VanDerWaalsContact C-N 3.35Å; D52-T54 PolarHBondContact O-N 2.74Å; D52-K55 PolarHBondContact O-N 2.97Å; D52-N56 WeakPolarHBondContact O-CB 3.49Å; D52-N56 VanDerWaalsContact O-CG 3.29Å; D52-N56 PolarHBondContact O-N 3.17Å |
| 53 | F | 88.4 | Confident | 89.1 | Confident | 11 Ų | 11 | 73.5 Ų | 73.5 | 5% | 0.048 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -54.1 | -52 | 174.3 | 166.1 | -114 | 0 | 0 | 0 | 111.4 | V48 H49 N56 N57 A61 A71 Y73 V84 F124 | V48-F53 HydrophobicContact CG1-CB 4.3Å; H49-F53 WeakPolarHBondContact O-CB 3.47Å; H49-F53 PolarHBondContact O-N 3.22Å; F53-N56 PolarHBondContact O-N 2.94Å; F53-N57 VanDerWaalsContact CD2-ND2 3.29Å; F53-N57 WeakPolarHBondContact CD2-ND2 3.2Å; F53-N57 HydrophobicContact CE2-CB 4.32Å; F53-N57 VanDerWaalsContact CE2-ND2 3.32Å; F53-N57 WeakPolarHBondContact CE2-ND2 3.39Å; F53-N57 WeakPolarHBondContact O-CB 3.39Å; F53-N57 PolarHBondContact O-N 3.43Å; F53-N57 PolarHBondContact O-ND2 3.18Å; F53-A61 HydrophobicContact CE1-CB 4.1Å; F53-A61 HydrophobicContact CZ-CB 4.26Å; F53-A71 HydrophobicContact CD1-CB 3.99Å; F53-A71 HydrophobicContact CE1-CB 4.1Å; F53-Y73 HydrophobicContact CE2-CD2 4.36Å; F53-Y73 AromaticContact CZ-CD2 3.66Å; F53-Y73 HydrophobicContact CZ-CD2 3.66Å; F53-Y73 HydrophobicContact CZ-CE2 4.44Å; F53-Y73 HydrophobicContact CZ-CG 4.3Å; F53-V84 HydrophobicContact CE1-CG2 4.13Å; F53-V84 HydrophobicContact CZ-CG2 4.43Å; F53-F124 HydrophobicContact CB-CE1 4.03Å; F53-F124 HydrophobicContact CB-CZ 4.42Å; F53-F124 HydrophobicContact CD1-CE1 4.24Å; F53-F124 AromaticContact CD1-CZ 3.77Å; F53-F124 HydrophobicContact CD1-CZ 3.77Å; F53-F124 HydrophobicContact CD2-CD1 4.09Å; F53-F124 AromaticContact CD2-CE1 3.1Å; F53-F124 HydrophobicContact CD2-CE1 3.1Å; F53-F124 AromaticContact CD2-CE2 3.9Å; F53-F124 HydrophobicContact CD2-CE2 3.9Å; F53-F124 AromaticContact CD2-CZ 3.01Å; F53-F124 HydrophobicContact CD2-CZ 3.01Å; F53-F124 HydrophobicContact CE1-CE2 4.38Å; F53-F124 AromaticContact CE1-CZ 3.67Å; F53-F124 HydrophobicContact CE1-CZ 3.67Å; F53-F124 HydrophobicContact CE2-CD1 4.42Å; F53-F124 HydrophobicContact CE2-CD2 4.31Å; F53-F124 AromaticContact CE2-CE1 3.52Å; F53-F124 HydrophobicContact CE2-CE1 3.52Å; F53-F124 AromaticContact CE2-CE2 3.35Å; F53-F124 HydrophobicContact CE2-CE2 3.35Å; F53-F124 AromaticContact CE2-CZ 2.9Å; F53-F124 HydrophobicContact CE2-CZ 2.9Å; F53-F124 AromaticContact CG-CE1 3.51Å; F53-F124 HydrophobicContact CG-CE1 3.51Å; F53-F124 AromaticContact CG-CZ 3.45Å; F53-F124 HydrophobicContact CG-CZ 3.45Å; F53-F124 VanDerWaalsContact CG-CZ 3.45Å; F53-F124 HydrophobicContact CZ-CE1 4.21Å; F53-F124 AromaticContact CZ-CE2 3.61Å; F53-F124 HydrophobicContact CZ-CE2 3.61Å; F53-F124 AromaticContact CZ-CZ 3.24Å; F53-F124 HydrophobicContact CZ-CZ 3.24Å |
| 54 | T | 90.5 | Very high | 89.6 | Confident | 6 Ų | 6 | 75 Ų | 75 | 4% | 0.037 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -69.5 | -39.2 | -177.1 | 53.8 | 0 | 0 | 0 | 0 | 112.4 | L50 V51 D52 N56 N57 R58 A61 A71 | L50-T54 WeakPolarHBondContact O-CB 3.41Å; L50-T54 VanDerWaalsContact O-CG2 3.31Å; L50-T54 WeakPolarHBondContact O-CG2 3.46Å; L50-T54 PolarHBondContact O-N 2.98Å; L50-T54 PolarHBondContact O-OG1 3.11Å; V51-T54 PolarHBondContact O-N 2.83Å; V51-T54 PolarHBondContact O-OG1 2.91Å; V51-T54 VanDerWaalsContact O-OG1 3.08Å; D52-T54 VanDerWaalsContact C-N 3.35Å; D52-T54 PolarHBondContact O-N 2.74Å; T54-N56 VanDerWaalsContact C-N 3.3Å; T54-N56 PolarHBondContact O-N 2.82Å; T54-N57 CarbonylContact O-C 3.55Å; T54-N57 PolarHBondContact O-N 2.85Å; T54-N57 VanDerWaalsContact O-N 3.14Å; T54-R58 WeakPolarHBondContact O-CG 3.34Å; T54-R58 PolarHBondContact O-N 2.89Å; T54-R58 VanDerWaalsContact O-N 3.09Å; T54-A61 HydrophobicContact CG2-CB 3.99Å; T54-A71 HydrophobicContact CG2-CB 3.63Å |
| 55 | K | 91.1 | Very high | 90 | Very high | 144 Ų | 144 | 76.8 Ų | 76.8 | 63% | 0.626 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -56.6 | -43.5 | 175.6 | -173.1 | -179.6 | 178.5 | -174.7 | 0 | 111.9 | V51 D52 N57 | V51-K55 VanDerWaalsContact O-CB 3.32Å; V51-K55 WeakPolarHBondContact O-CB 3.37Å; V51-K55 PolarHBondContact O-N 3.27Å; D52-K55 PolarHBondContact O-N 2.97Å; K55-N57 VanDerWaalsContact C-N 3.29Å; K55-N57 PolarHBondContact O-N 2.9Å |
| 56 | N | 89 | Confident | 90.5 | Very high | 129 Ų | 129 | 79.2 Ų | 79.2 | 69% | 0.69 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -75.3 | -16.6 | -179 | -67.5 | -9.1 | 0 | 0 | 0 | 113.8 | D52 F53 T54 | D52-N56 WeakPolarHBondContact O-CB 3.49Å; D52-N56 VanDerWaalsContact O-CG 3.29Å; D52-N56 PolarHBondContact O-N 3.17Å; F53-N56 PolarHBondContact O-N 2.94Å; T54-N56 VanDerWaalsContact C-N 3.3Å; T54-N56 PolarHBondContact O-N 2.82Å |
| 57 | N | 86 | Confident | 90.9 | Very high | 25 Ų | 25 | 82 Ų | 82 | 13% | 0.134 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118 | 14.3 | -173.8 | -71.2 | -80.4 | 0 | 0 | 0 | 113.5 | F53 T54 K55 I60 A61 Y73 P123 | F53-N57 VanDerWaalsContact CD2-ND2 3.29Å; F53-N57 WeakPolarHBondContact CD2-ND2 3.2Å; F53-N57 HydrophobicContact CE2-CB 4.32Å; F53-N57 VanDerWaalsContact CE2-ND2 3.32Å; F53-N57 WeakPolarHBondContact CE2-ND2 3.39Å; F53-N57 WeakPolarHBondContact O-CB 3.39Å; F53-N57 PolarHBondContact O-N 3.43Å; F53-N57 PolarHBondContact O-ND2 3.18Å; T54-N57 CarbonylContact O-C 3.55Å; T54-N57 PolarHBondContact O-N 2.85Å; T54-N57 VanDerWaalsContact O-N 3.14Å; K55-N57 VanDerWaalsContact C-N 3.29Å; K55-N57 PolarHBondContact O-N 2.9Å; N57-I60 WeakPolarHBondContact O-CA 3.35Å; N57-I60 WeakPolarHBondContact O-CB 3.46Å; N57-I60 PolarHBondContact O-N 3.01Å; N57-A61 HydrophobicContact CB-CB 3.54Å; N57-A61 PolarHBondContact O-N 2.8Å; N57-Y73 HydrophobicContact CB-CD2 4.41Å; N57-Y73 HydrophobicContact CB-CE2 4.06Å; N57-P123 WeakPolarHBondContact OD1-CG 3.34Å |
| 58 | R | 87.6 | Confident | 91.1 | Very high | 166 Ų | 166 | 81.9 Ų | 81.9 | 63% | 0.626 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 144.6 | 172.9 | -82.1 | -167.2 | 178.4 | 137.2 | -1.1 | 110.6 | T54 | T54-R58 WeakPolarHBondContact O-CG 3.34Å; T54-R58 PolarHBondContact O-N 2.89Å; T54-R58 VanDerWaalsContact O-N 3.09Å |
| 59 | P | 88 | Confident | 91.3 | Very high | 129 Ų | 129 | 85 Ų | 85 | 84% | 0.838 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -91.2 | 10.2 | 2.7 | 36.5 | -36.2 | 0 | 0 | 0 | 114.2 | ||
| 60 | I | 88.3 | Confident | 91.4 | Very high | 80 Ų | 80 | 78 Ų | 78 | 41% | 0.41 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -33.8 | -173.3 | -53.9 | 176.1 | 0 | 0 | 0 | 110.9 | N57 Y73 R74 | N57-I60 WeakPolarHBondContact O-CA 3.35Å; N57-I60 WeakPolarHBondContact O-CB 3.46Å; N57-I60 PolarHBondContact O-N 3.01Å; I60-Y73 HydrophobicContact CB-CE2 4.13Å; I60-Y73 HydrophobicContact CG2-CD1 4.2Å; I60-Y73 HydrophobicContact CG2-CD2 4.08Å; I60-Y73 HydrophobicContact CG2-CE1 3.82Å; I60-Y73 HydrophobicContact CG2-CE2 3.69Å; I60-Y73 HydrophobicContact CG2-CG 4.31Å; I60-R74 WeakPolarHBondContact CG2-O 3.28Å; I60-R74 PolarHBondContact O-N 3.12Å; I60-R74 VanDerWaalsContact O-N 3.11Å |
| 61 | A | 90.9 | Very high | 91.5 | Very high | 3 Ų | 3 | 77.7 Ų | 77.7 | 3% | 0.025 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 144.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F53 T54 N57 T72 Y73 | F53-A61 HydrophobicContact CE1-CB 4.1Å; F53-A61 HydrophobicContact CZ-CB 4.26Å; T54-A61 HydrophobicContact CG2-CB 3.99Å; N57-A61 HydrophobicContact CB-CB 3.54Å; N57-A61 PolarHBondContact O-N 2.8Å; A61-T72 CarbonylContact C-O 3.55Å; A61-T72 VanDerWaalsContact CA-O 3.29Å; A61-T72 WeakPolarHBondContact CA-O 3.37Å; A61-Y73 HydrophobicContact CB-CD2 3.9Å |
| 62 | S | 93.9 | Very high | 91.6 | Very high | 44 Ų | 44 | 74.2 Ų | 74.2 | 31% | 0.308 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 139.9 | 177.1 | 51.1 | 0 | 0 | 0 | 0 | 110.5 | A71 T72 | S62-A71 CarbonylContact O-C 3.56Å; S62-A71 WeakPolarHBondContact O-CA 3.26Å; S62-T72 PolarHBondContact N-O 2.82Å; S62-T72 PolarHBondContact O-N 3.31Å; S62-T72 PolarHBondContact OG-O 3.33Å |
| 63 | Y | 95.3 | Very high | 91.6 | Very high | 49 Ų | 49 | 71.6 Ų | 71.6 | 19% | 0.192 | 37% | 0.365 | C | S | . | . | trans | -144 | 118.4 | 178.3 | 176.8 | -124.6 | 0 | 0 | 0 | 109.3 | L50 V51 P65 A71 | L50-Y63 HydrophobicContact CB-CD1 3.9Å; L50-Y63 HydrophobicContact CB-CD2 4.32Å; L50-Y63 HydrophobicContact CB-CE1 3.82Å; L50-Y63 HydrophobicContact CB-CE2 4.24Å; L50-Y63 HydrophobicContact CB-CG 4.15Å; L50-Y63 HydrophobicContact CD1-CD2 4.07Å; L50-Y63 HydrophobicContact CD1-CE1 4.33Å; L50-Y63 HydrophobicContact CD1-CE2 3.48Å; L50-Y63 VanDerWaalsContact CD1-CE2 3.48Å; V51-Y63 HydrophobicContact CG2-CD1 4.24Å; V51-Y63 HydrophobicContact CG2-CE1 4.12Å; Y63-P65 HydrophobicContact CE1-CB 4.06Å; Y63-P65 HydrophobicContact CE1-CG 4.09Å; Y63-P65 HydrophobicContact CE2-CB 4.26Å; Y63-A71 HydrophobicContact CD2-CB 4.13Å; Y63-A71 HydrophobicContact CG-CB 4.3Å | ||
| 64 | E | 93.7 | Very high | 91.5 | Very high | 113 Ų | 113 | 77.9 Ų | 77.9 | 53% | 0.528 | 39% | 0.388 | S | S | . | . | trans | -126.9 | 86.7 | 179.9 | -64.4 | -61.1 | 158.8 | 0 | 0 | 106.9 | E66 L67 H68 | E64-E66 PolarHBondContact O-N 3.35Å; E64-E66 VanDerWaalsContact O-N 3.17Å; E64-L67 HydrophobicContact CB-CB 4.11Å; E64-L67 HydrophobicContact CB-CD1 4Å; E64-L67 HydrophobicContact CB-CG 4.21Å; E64-L67 HydrophobicContact CG-CD1 4.39Å; E64-L67 PolarHBondContact O-N 3.46Å; E64-H68 PolarHBondContact O-N 2.89Å | ||
| 65 | P | 92.7 | Very high | 91.2 | Very high | 70 Ų | 70 | 78.7 Ų | 78.7 | 46% | 0.455 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -30.5 | -171.5 | 19.7 | -31.1 | 0 | 0 | 0 | 113.3 | Y63 L67 | Y63-P65 HydrophobicContact CE1-CB 4.06Å; Y63-P65 HydrophobicContact CE1-CG 4.09Å; Y63-P65 HydrophobicContact CE2-CB 4.26Å; P65-L67 PolarHBondContact O-N 2.85Å |
| 66 | E | 95.1 | Very high | 90.7 | Very high | 178 Ų | 178 | 81 Ų | 81 | 83% | 0.832 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -23.2 | 176.3 | -56.8 | -55.9 | 142.8 | 0 | 0 | 112.9 | E64 | E64-E66 PolarHBondContact O-N 3.35Å; E64-E66 VanDerWaalsContact O-N 3.17Å |
| 67 | L | 93.8 | Very high | 90 | Very high | 147 Ų | 147 | 80.9 Ų | 80.9 | 77% | 0.77 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | -38.9 | -179 | -63.7 | 178.7 | 0 | 0 | 0 | 112.5 | E64 P65 | E64-L67 HydrophobicContact CB-CB 4.11Å; E64-L67 HydrophobicContact CB-CD1 4Å; E64-L67 HydrophobicContact CB-CG 4.21Å; E64-L67 HydrophobicContact CG-CD1 4.39Å; E64-L67 PolarHBondContact O-N 3.46Å; P65-L67 PolarHBondContact O-N 2.85Å |
| 68 | H | 92.2 | Very high | 89.3 | Confident | 72 Ų | 72 | 82.6 Ų | 82.6 | 33% | 0.333 | 41% | 0.41 | S | S | . | . | trans | -155.8 | 136.7 | -176 | -165.7 | -94.4 | 0 | 0 | 0 | 112.2 | E64 A70 Q83 | E64-H68 PolarHBondContact O-N 2.89Å; H68-A70 WeakPolarHBondContact ND1-CB 3.47Å; H68-A70 PolarHBondContact ND1-N 2.92Å; H68-A70 VanDerWaalsContact ND1-N 3.18Å; H68-A70 PolarHBondContact ND1-O 3.45Å; H68-A70 PolarHBondContact O-N 3.3Å; H68-Q83 PolarHBondContact CE1-NE2 2.76Å; H68-Q83 VanDerWaalsContact CE1-NE2 3.33Å | ||
| 69 | P | 93.3 | Very high | 88.9 | Confident | 82 Ų | 82 | 80.9 Ų | 80.9 | 53% | 0.532 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -73.9 | -9.8 | -175.2 | 29.6 | -37.3 | 0 | 0 | 0 | 114.8 | L50 F85 | L50-P69 WeakPolarHBondContact CD1-O 3.49Å; P69-F85 HydrophobicContact CG-CE1 4.38Å |
| 70 | A | 94.9 | Very high | 88.7 | Confident | 2 Ų | 2 | 75.1 Ų | 75.1 | 2% | 0.017 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 140.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | H68 Q83 V84 F85 | H68-A70 WeakPolarHBondContact ND1-CB 3.47Å; H68-A70 PolarHBondContact ND1-N 2.92Å; H68-A70 VanDerWaalsContact ND1-N 3.18Å; H68-A70 PolarHBondContact ND1-O 3.45Å; H68-A70 PolarHBondContact O-N 3.3Å; A70-Q83 HydrophobicContact CB-CB 4.05Å; A70-V84 CarbonylContact C-O 3.59Å; A70-V84 WeakPolarHBondContact CA-O 3.48Å; A70-V84 WeakPolarHBondContact CB-O 3.44Å; A70-F85 HydrophobicContact CB-CD1 3.88Å; A70-F85 HydrophobicContact CB-CD2 4.13Å; A70-F85 HydrophobicContact CB-CE1 3.76Å; A70-F85 HydrophobicContact CB-CE2 4Å; A70-F85 HydrophobicContact CB-CG 4.08Å; A70-F85 HydrophobicContact CB-CZ 3.81Å |
| 71 | A | 93.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 136.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L50 F53 T54 S62 Y63 Q83 V84 | L50-A71 HydrophobicContact CB-CB 4.35Å; L50-A71 HydrophobicContact CD2-CB 3.95Å; F53-A71 HydrophobicContact CD1-CB 3.99Å; F53-A71 HydrophobicContact CE1-CB 4.1Å; T54-A71 HydrophobicContact CG2-CB 3.63Å; S62-A71 CarbonylContact O-C 3.56Å; S62-A71 WeakPolarHBondContact O-CA 3.26Å; Y63-A71 HydrophobicContact CD2-CB 4.13Å; Y63-A71 HydrophobicContact CG-CB 4.3Å; A71-Q83 CarbonylContact O-C 3.56Å; A71-Q83 WeakPolarHBondContact O-CA 3.22Å; A71-V84 HydrophobicContact CB-CB 4.4Å; A71-V84 PolarHBondContact N-O 2.86Å; A71-V84 PolarHBondContact O-N 3.44Å |
| 72 | T | 93.4 | Very high | 88.6 | Confident | 23 Ų | 23 | 73.5 Ų | 73.5 | 14% | 0.141 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 124.6 | -180 | -60.8 | 0 | 0 | 0 | 0 | 110.1 | A61 S62 R74 T81 V82 | A61-T72 CarbonylContact C-O 3.55Å; A61-T72 VanDerWaalsContact CA-O 3.29Å; A61-T72 WeakPolarHBondContact CA-O 3.37Å; S62-T72 PolarHBondContact N-O 2.82Å; S62-T72 PolarHBondContact O-N 3.31Å; S62-T72 PolarHBondContact OG-O 3.33Å; T72-R74 HydrophobicContact CG2-CG 4.17Å; T72-T81 HydrophobicContact CG2-CG2 3.56Å; T72-V82 CarbonylContact C-O 3.58Å; T72-V82 WeakPolarHBondContact CA-O 3.41Å |
| 73 | Y | 90.8 | Very high | 88.5 | Confident | 31 Ų | 31 | 73.9 Ų | 73.9 | 12% | 0.122 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 123 | 174.2 | -171.9 | -85.3 | 0 | 0 | 0 | 110 | F53 N57 I60 A61 I75 V82 L122 | F53-Y73 HydrophobicContact CE2-CD2 4.36Å; F53-Y73 AromaticContact CZ-CD2 3.66Å; F53-Y73 HydrophobicContact CZ-CD2 3.66Å; F53-Y73 HydrophobicContact CZ-CE2 4.44Å; F53-Y73 HydrophobicContact CZ-CG 4.3Å; N57-Y73 HydrophobicContact CB-CD2 4.41Å; N57-Y73 HydrophobicContact CB-CE2 4.06Å; I60-Y73 HydrophobicContact CB-CE2 4.13Å; I60-Y73 HydrophobicContact CG2-CD1 4.2Å; I60-Y73 HydrophobicContact CG2-CD2 4.08Å; I60-Y73 HydrophobicContact CG2-CE1 3.82Å; I60-Y73 HydrophobicContact CG2-CE2 3.69Å; I60-Y73 HydrophobicContact CG2-CG 4.31Å; A61-Y73 HydrophobicContact CB-CD2 3.9Å; Y73-I75 HydrophobicContact CD1-CD1 4.08Å; Y73-I75 HydrophobicContact CD1-CG1 3.77Å; Y73-I75 HydrophobicContact CE1-CD1 3.97Å; Y73-I75 HydrophobicContact CE1-CG1 3.6Å; Y73-V82 PolarHBondContact N-O 3.08Å; Y73-V82 PolarHBondContact O-N 3.24Å; Y73-L122 HydrophobicContact CD1-CD2 4.14Å; Y73-L122 HydrophobicContact CD2-CD2 4.45Å; Y73-L122 HydrophobicContact CE1-CD2 4.03Å; Y73-L122 HydrophobicContact CE2-CD2 4.37Å; Y73-L122 HydrophobicContact CG-CD2 4.36Å |
| 74 | R | 88 | Confident | 88.4 | Confident | 142 Ų | 142 | 71.5 Ų | 71.5 | 54% | 0.536 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 123 | -172.6 | -72.4 | -173.7 | 174.8 | 98.4 | -2.2 | 112.9 | I60 T72 T81 | I60-R74 WeakPolarHBondContact CG2-O 3.28Å; I60-R74 PolarHBondContact O-N 3.12Å; I60-R74 VanDerWaalsContact O-N 3.11Å; T72-R74 HydrophobicContact CG2-CG 4.17Å; R74-T81 HydrophobicContact CG-CG2 4.49Å |
| 75 | I | 83.4 | Confident | 88.4 | Confident | 24 Ų | 24 | 68.7 Ų | 68.7 | 12% | 0.123 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 97.6 | -179.5 | -65.5 | 171.4 | 0 | 0 | 0 | 108.7 | Y73 N77 L78 K79 A80 V82 L118 | Y73-I75 HydrophobicContact CD1-CD1 4.08Å; Y73-I75 HydrophobicContact CD1-CG1 3.77Å; Y73-I75 HydrophobicContact CE1-CD1 3.97Å; Y73-I75 HydrophobicContact CE1-CG1 3.6Å; I75-N77 WeakPolarHBondContact CG2-OD1 3.39Å; I75-L78 HydrophobicContact CG2-CB 3.91Å; I75-L78 HydrophobicContact CG2-CD1 4.03Å; I75-L78 HydrophobicContact CG2-CG 3.98Å; I75-L78 PolarHBondContact O-N 2.77Å; I75-K79 WeakPolarHBondContact O-CA 3.17Å; I75-K79 PolarHBondContact O-N 2.93Å; I75-A80 HydrophobicContact CB-CB 4.43Å; I75-A80 PolarHBondContact N-O 2.85Å; I75-A80 PolarHBondContact O-N 2.81Å; I75-A80 VanDerWaalsContact O-N 3.08Å; I75-V82 HydrophobicContact CD1-CG2 4.23Å; I75-L118 HydrophobicContact CD1-CD1 3.5Å; I75-L118 HydrophobicContact CD1-CD2 3.29Å; I75-L118 HydrophobicContact CD1-CG 3.47Å; I75-L118 VanDerWaalsContact CD1-CG 3.47Å |
| 76 | K | 81.3 | Confident | 88.4 | Confident | 193 Ų | 193 | 68.5 Ų | 68.5 | 84% | 0.839 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -41.9 | -170 | -68.2 | -177.2 | 179.1 | 177.7 | 0 | 113.2 | L78 K79 | K76-L78 VanDerWaalsContact C-N 3.32Å; K76-L78 PolarHBondContact O-N 3.28Å; K76-K79 PolarHBondContact O-N 3.1Å |
| 77 | N | 73.7 | Confident | 88.2 | Confident | 125 Ų | 125 | 64.3 Ų | 64.3 | 67% | 0.668 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -36.5 | -179.1 | 59.7 | -25.9 | 0 | 0 | 0 | 112.6 | I75 | I75-N77 WeakPolarHBondContact CG2-OD1 3.39Š|
| 78 | L | 70.9 | Confident | 87.9 | Confident | 61 Ų | 61 | 57.3 Ų | 57.3 | 32% | 0.319 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -4.6 | 178.3 | -60.3 | 179.2 | 0 | 0 | 0 | 113.5 | I75 K76 A80 L118 | I75-L78 HydrophobicContact CG2-CB 3.91Å; I75-L78 HydrophobicContact CG2-CD1 4.03Å; I75-L78 HydrophobicContact CG2-CG 3.98Å; I75-L78 PolarHBondContact O-N 2.77Å; K76-L78 VanDerWaalsContact C-N 3.32Å; K76-L78 PolarHBondContact O-N 3.28Å; L78-A80 HydrophobicContact CB-CB 4.04Å; L78-A80 PolarHBondContact O-N 2.81Å; L78-L118 HydrophobicContact CD1-CD1 4.17Å |
| 79 | K | 80.5 | Confident | 87.7 | Confident | 131 Ų | 131 | 55.8 Ų | 55.8 | 57% | 0.57 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 43.1 | -167.9 | -59 | -176.1 | -171.7 | 175 | 0 | 111.5 | I75 K76 L97 | I75-K79 WeakPolarHBondContact O-CA 3.17Å; I75-K79 PolarHBondContact O-N 2.93Å; K76-K79 PolarHBondContact O-N 3.1Å; K79-L97 HydrophobicContact CB-CD1 4.46Å; K79-L97 HydrophobicContact CD-CD1 4.1Å; K79-L97 HydrophobicContact CD-CD2 4.07Å; K79-L97 HydrophobicContact CD-CG 4.49Å; K79-L97 HydrophobicContact CG-CD1 4.13Å |
| 80 | A | 83.4 | Confident | 87.5 | Confident | 8 Ų | 8 | 52 Ų | 52 | 7% | 0.066 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 149 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | I75 L78 T93 | I75-A80 HydrophobicContact CB-CB 4.43Å; I75-A80 PolarHBondContact N-O 2.85Å; I75-A80 PolarHBondContact O-N 2.81Å; I75-A80 VanDerWaalsContact O-N 3.08Å; L78-A80 HydrophobicContact CB-CB 4.04Å; L78-A80 PolarHBondContact O-N 2.81Å; A80-T93 CarbonylContact C-O 3.46Å; A80-T93 WeakPolarHBondContact CA-O 3.38Å |
| 81 | T | 87.8 | Confident | 87.2 | Confident | 46 Ų | 46 | 53 Ų | 53 | 28% | 0.282 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 127.8 | 176.1 | -57.8 | 0 | 0 | 0 | 0 | 109 | T72 R74 V92 T93 | T72-T81 HydrophobicContact CG2-CG2 3.56Å; R74-T81 HydrophobicContact CG-CG2 4.49Å; T81-V92 WeakPolarHBondContact O-CA 3.43Å; T81-T93 PolarHBondContact N-O 2.92Å; T81-T93 PolarHBondContact O-N 2.85Å |
| 82 | V | 89.6 | Confident | 86.8 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.012 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 129.2 | 174.2 | -177.8 | 0 | 0 | 0 | 0 | 107.9 | T72 Y73 I75 V84 L90 T91 V92 L118 | T72-V82 CarbonylContact C-O 3.58Å; T72-V82 WeakPolarHBondContact CA-O 3.41Å; Y73-V82 PolarHBondContact N-O 3.08Å; Y73-V82 PolarHBondContact O-N 3.24Å; I75-V82 HydrophobicContact CD1-CG2 4.23Å; V82-V84 HydrophobicContact CG1-CG2 4.05Å; V82-L90 HydrophobicContact CG1-CD2 4.35Å; V82-T91 CarbonylContact C-O 3.59Å; V82-T91 WeakPolarHBondContact CA-O 3.44Å; V82-V92 HydrophobicContact CG1-CG2 4.28Å; V82-V92 HydrophobicContact CG2-CG1 4.06Å; V82-V92 HydrophobicContact CG2-CG2 4.11Å; V82-L118 HydrophobicContact CG2-CD2 3.67Å |
| 83 | Q | 92.1 | Very high | 86.4 | Confident | 52 Ų | 52 | 54.4 Ų | 54.4 | 24% | 0.243 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 124 | 170.8 | -66.4 | -172.7 | -50.1 | 0 | 0 | 108.9 | H68 A70 A71 F85 L90 T91 | H68-Q83 PolarHBondContact CE1-NE2 2.76Å; H68-Q83 VanDerWaalsContact CE1-NE2 3.33Å; A70-Q83 HydrophobicContact CB-CB 4.05Å; A71-Q83 CarbonylContact O-C 3.56Å; A71-Q83 WeakPolarHBondContact O-CA 3.22Å; Q83-F85 HydrophobicContact CB-CE2 4.33Å; Q83-L90 WeakPolarHBondContact O-CA 3.31Å; Q83-T91 PolarHBondContact N-O 3.24Å; Q83-T91 PolarHBondContact O-N 3.03Å |
| 84 | V | 91.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 121.6 | -177.8 | -172.5 | 0 | 0 | 0 | 0 | 109.6 | V48 L50 F53 A70 A71 V82 L90 F124 | V48-V84 HydrophobicContact CB-CG1 4.22Å; V48-V84 HydrophobicContact CG1-CG1 4.04Å; V48-V84 HydrophobicContact CG2-CG1 4.17Å; L50-V84 HydrophobicContact CD2-CB 4.26Å; L50-V84 HydrophobicContact CD2-CG1 3.93Å; L50-V84 WeakPolarHBondContact CD2-O 3.44Å; F53-V84 HydrophobicContact CE1-CG2 4.13Å; F53-V84 HydrophobicContact CZ-CG2 4.43Å; A70-V84 CarbonylContact C-O 3.59Å; A70-V84 WeakPolarHBondContact CA-O 3.48Å; A70-V84 WeakPolarHBondContact CB-O 3.44Å; A71-V84 HydrophobicContact CB-CB 4.4Å; A71-V84 PolarHBondContact N-O 2.86Å; A71-V84 PolarHBondContact O-N 3.44Å; V82-V84 HydrophobicContact CG1-CG2 4.05Å; V84-L90 HydrophobicContact CB-CD2 3.86Å; V84-L90 HydrophobicContact CG1-CD2 3.67Å; V84-L90 HydrophobicContact CG2-CD2 3.55Å; V84-F124 HydrophobicContact CG1-CZ 3.98Å; V84-F124 HydrophobicContact CG2-CE2 4.12Å; V84-F124 HydrophobicContact CG2-CZ 4.01Å |
| 85 | F | 93.8 | Very high | 84.9 | Confident | 54 Ų | 54 | 51 Ų | 51 | 24% | 0.237 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 149.3 | 176.4 | -64.8 | -96.5 | 0 | 0 | 0 | 110 | P69 A70 Q83 T87 G88 S89 | P69-F85 HydrophobicContact CG-CE1 4.38Å; A70-F85 HydrophobicContact CB-CD1 3.88Å; A70-F85 HydrophobicContact CB-CD2 4.13Å; A70-F85 HydrophobicContact CB-CE1 3.76Å; A70-F85 HydrophobicContact CB-CE2 4Å; A70-F85 HydrophobicContact CB-CG 4.08Å; A70-F85 HydrophobicContact CB-CZ 3.81Å; Q83-F85 HydrophobicContact CB-CE2 4.33Å; F85-T87 PolarHBondContact O-N 2.88Å; F85-T87 VanDerWaalsContact O-N 3.11Å; F85-G88 PolarHBondContact O-N 2.87Å; F85-S89 WeakPolarHBondContact CB-O 3.31Å; F85-S89 WeakPolarHBondContact CD2-O 3.47Å; F85-S89 PolarHBondContact N-O 3.23Å |
| 86 | S | 92.4 | Very high | 84.1 | Confident | 65 Ų | 65 | 52.4 Ų | 52.4 | 46% | 0.455 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.7 | 178.5 | 54.1 | 0 | 0 | 0 | 0 | 112.9 | A47 V48 G88 | A47-S86 CarbonylContact C-O 3.52Å; A47-S86 VanDerWaalsContact CA-O 3.26Å; A47-S86 WeakPolarHBondContact CA-O 3.49Å; A47-S86 VanDerWaalsContact CB-O 3.28Å; A47-S86 WeakPolarHBondContact CB-O 3.47Å; V48-S86 PolarHBondContact N-O 3.17Å; V48-S86 WeakPolarHBondContact O-CA 3.29Å; S86-G88 PolarHBondContact O-N 2.99Å |
| 87 | T | 92.4 | Very high | 82.8 | Confident | 91 Ų | 91 | 46.2 Ų | 46.2 | 56% | 0.558 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -8 | 174.9 | 58.8 | 0 | 0 | 0 | 0 | 114.3 | F85 S89 | F85-T87 PolarHBondContact O-N 2.88Å; F85-T87 VanDerWaalsContact O-N 3.11Å; T87-S89 VanDerWaalsContact C-N 3.31Å; T87-S89 PolarHBondContact OG1-N 3.48Å; T87-S89 PolarHBondContact OG1-OG 2.81Å |
| 88 | G | 85.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 87 | -2.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | M44 F46 F85 S86 | M44-G88 WeakPolarHBondContact CB-O 3.08Å; M44-G88 PolarHBondContact N-O 3.48Å; F46-G88 WeakPolarHBondContact O-CA 3.18Å; F85-G88 PolarHBondContact O-N 2.87Å; S86-G88 PolarHBondContact O-N 2.99Å |
| 89 | S | 89.4 | Confident | 80.1 | Confident | 39 Ų | 39 | 49.1 Ų | 49.1 | 27% | 0.273 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 143.3 | 171.4 | -56.9 | 0 | 0 | 0 | 0 | 111 | F85 T87 | F85-S89 WeakPolarHBondContact CB-O 3.31Å; F85-S89 WeakPolarHBondContact CD2-O 3.47Å; F85-S89 PolarHBondContact N-O 3.23Å; T87-S89 VanDerWaalsContact C-N 3.31Å; T87-S89 PolarHBondContact OG1-N 3.48Å; T87-S89 PolarHBondContact OG1-OG 2.81Å |
| 90 | L | 88.8 | Confident | 77.9 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 136.1 | -175.5 | -67.3 | 169.2 | 0 | 0 | 0 | 109.5 | V41 C42 M44 V82 Q83 V84 F119 | V41-L90 WeakPolarHBondContact CA-O 3.42Å; C42-L90 PolarHBondContact N-O 2.83Å; C42-L90 PolarHBondContact O-N 3.32Å; C42-L90 VanDerWaalsContact O-O 3.13Å; C42-L90 VanDerWaalsContact SG-CB 3.58Å; M44-L90 HydrophobicContact CG-CD1 3.64Å; M44-L90 HydrophobicContact CG-CG 4.38Å; M44-L90 HydrophobicContact SD-CD1 3.96Å; V82-L90 HydrophobicContact CG1-CD2 4.35Å; Q83-L90 WeakPolarHBondContact O-CA 3.31Å; V84-L90 HydrophobicContact CB-CD2 3.86Å; V84-L90 HydrophobicContact CG1-CD2 3.67Å; V84-L90 HydrophobicContact CG2-CD2 3.55Å; L90-F119 HydrophobicContact CD1-CE1 3.32Å; L90-F119 HydrophobicContact CD1-CZ 3.46Å; L90-F119 VanDerWaalsContact CD1-CZ 3.46Å |
| 91 | T | 88.2 | Confident | 75.8 | Confident | 23 Ų | 23 | 55.3 Ų | 55.3 | 14% | 0.141 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 125.8 | 173.1 | -61.4 | 0 | 0 | 0 | 0 | 109.3 | L39 A40 V41 V82 Q83 | L39-T91 HydrophobicContact CD1-CG2 3.32Å; L39-T91 HydrophobicContact CG-CG2 4.2Å; A40-T91 CarbonylContact O-C 3.55Å; A40-T91 WeakPolarHBondContact O-CA 3.36Å; V41-T91 HydrophobicContact CG2-CG2 4.26Å; V82-T91 CarbonylContact C-O 3.59Å; V82-T91 WeakPolarHBondContact CA-O 3.44Å; Q83-T91 PolarHBondContact N-O 3.24Å; Q83-T91 PolarHBondContact O-N 3.03Å |
| 92 | V | 85.6 | Confident | 73.2 | Confident | 9 Ų | 9 | 60 Ų | 60 | 6% | 0.055 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 123.2 | 178.1 | -168.6 | 0 | 0 | 0 | 0 | 109 | L39 A40 T81 V82 L115 | L39-V92 CarbonylContact C-O 3.6Å; L39-V92 WeakPolarHBondContact CA-O 3.44Å; A40-V92 HydrophobicContact CB-CB 4.4Å; A40-V92 PolarHBondContact N-O 3.23Å; A40-V92 PolarHBondContact O-N 2.77Å; T81-V92 WeakPolarHBondContact O-CA 3.43Å; V82-V92 HydrophobicContact CG1-CG2 4.28Å; V82-V92 HydrophobicContact CG2-CG1 4.06Å; V82-V92 HydrophobicContact CG2-CG2 4.11Å; V92-L115 HydrophobicContact CB-CD1 3.92Å; V92-L115 HydrophobicContact CB-CD2 4.35Å; V92-L115 HydrophobicContact CB-CG 4.41Å; V92-L115 HydrophobicContact CG1-CD1 3.67Å; V92-L115 HydrophobicContact CG1-CG 4.47Å; V92-L115 HydrophobicContact CG2-CD1 4.19Å; V92-L115 HydrophobicContact CG2-CD2 4.01Å; V92-L115 HydrophobicContact CG2-CG 4.14Å |
| 93 | T | 85.8 | Confident | 70.7 | Confident | 43 Ų | 43 | 70.2 Ų | 70.2 | 26% | 0.264 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 124.2 | 173 | -53.3 | 0 | 0 | 0 | 0 | 108.8 | N37 V38 L39 A80 T81 | N37-T93 WeakPolarHBondContact ND2-CG2 3.47Å; N37-T93 WeakPolarHBondContact OD1-CG2 3.44Å; V38-T93 WeakPolarHBondContact O-CA 3.17Å; L39-T93 WeakPolarHBondContact CD1-OG1 3.34Å; A80-T93 CarbonylContact C-O 3.46Å; A80-T93 WeakPolarHBondContact CA-O 3.38Å; T81-T93 PolarHBondContact N-O 2.92Å; T81-T93 PolarHBondContact O-N 2.85Å |
| 94 | G | 80.1 | Confident | 68 | Low | 4 Ų | 4 | 73.2 Ų | 73.2 | 4% | 0.041 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 138.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | N37 V38 | N37-G94 PolarHBondContact OD1-O 3.33Å; V38-G94 PolarHBondContact N-O 2.95Å; V38-G94 PolarHBondContact O-N 3.37Å; V38-G94 VanDerWaalsContact O-N 3.07Å |
| 95 | M | 67.4 | Low | 65.5 | Low | 98 Ų | 98 | 81 Ų | 81 | 48% | 0.483 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 137.1 | 167.9 | -74 | -179.3 | 52.8 | 0 | 0 | 109.9 | L97 | M95-L97 PolarHBondContact O-N 2.82Å |
| 96 | L | 64.8 | Low | 63.1 | Low | 52 Ų | 52 | 82 Ų | 82 | 27% | 0.272 | 45% | 0.45 | S | S | . | . | trans | -73.9 | 96 | 165.7 | -168.5 | 73.1 | 0 | 0 | 0 | 107.9 | S98 M111 | L96-S98 PolarHBondContact O-N 3.29Å; L96-S98 VanDerWaalsContact O-N 3.12Å; L96-M111 HydrophobicContact CD1-CE 4.41Å | ||
| 97 | L | 54 | Low | 61 | Low | 64 Ų | 64 | 80.8 Ų | 80.8 | 34% | 0.335 | 44% | 0.441 | S | S | . | . | trans | -71.6 | 103.9 | 169.8 | -74 | 168.1 | 0 | 0 | 0 | 107.9 | K79 M95 Q99 | K79-L97 HydrophobicContact CB-CD1 4.46Å; K79-L97 HydrophobicContact CD-CD1 4.1Å; K79-L97 HydrophobicContact CD-CD2 4.07Å; K79-L97 HydrophobicContact CD-CG 4.49Å; K79-L97 HydrophobicContact CG-CD1 4.13Å; M95-L97 PolarHBondContact O-N 2.82Å; L97-Q99 PolarHBondContact O-N 3.33Å | ||
| 98 | S | 48.2 | Very low | 58.9 | Low | 96 Ų | 96 | 78.6 Ų | 78.6 | 67% | 0.671 | 43% | 0.429 | S | S | * | . | trans | -66 | 88.2 | 162 | 179.1 | 0 | 0 | 0 | 0 | 107.4 | L96 | L96-S98 PolarHBondContact O-N 3.29Å; L96-S98 VanDerWaalsContact O-N 3.12Å | ||
| 99 | Q | 40.5 | Very low | 56.8 | Low | 150 Ų | 150 | 81.5 Ų | 81.5 | 70% | 0.701 | 45% | 0.45 | S | S | * | . | trans | -74 | 126.8 | 163.9 | -73 | -165.4 | -8.3 | 0 | 0 | 107.8 | L97 V101 | L97-Q99 PolarHBondContact O-N 3.33Å; Q99-V101 HydrophobicContact CB-CG2 4.48Å; Q99-V101 PolarHBondContact O-N 2.96Å | ||
| 100 | N | 34.6 | Very low | 54.6 | Low | 167 Ų | 167 | 86 Ų | 86 | 89% | 0.893 | 47% | 0.465 | S | S | * | . | trans | -67.5 | 78 | 170.2 | -94.2 | -49.4 | 0 | 0 | 0 | 110 | ||||
| 101 | V | 38.5 | Very low | 52.9 | Low | 102 Ų | 102 | 87.5 Ų | 87.5 | 62% | 0.618 | 47% | 0.472 | S | S | * | . | trans | -131.1 | 106.5 | 166.6 | -171.1 | 0 | 0 | 0 | 0 | 106.9 | Q99 | Q99-V101 HydrophobicContact CB-CG2 4.48Å; Q99-V101 PolarHBondContact O-N 2.96Å | ||
| 102 | N | 33.9 | Very low | 51 | Low | 144 Ų | 144 | 91.8 Ų | 91.8 | 77% | 0.77 | 49% | 0.494 | S | S | * | . | S | Bend | trans | 27.6 | 100.8 | 159.9 | -62 | -25.1 | 0 | 0 | 0 | 116.7 | T104 | N102-T104 PolarHBondContact O-N 3.03Å; N102-T104 PolarHBondContact O-OG1 3.08Å |
| 103 | K | 36.2 | Very low | 49.2 | Very low | 218 Ų | 218 | 96.5 Ų | 96.5 | 95% | 0.948 | 52% | 0.518 | S | S | * | . | S | Bend | trans | 12 | 70.4 | 155.6 | -69.5 | -179.1 | 178.8 | 167.4 | 0 | 116.2 | ||
| 104 | T | 36.7 | Very low | 47.4 | Very low | 114 Ų | 114 | 96.6 Ų | 96.6 | 70% | 0.699 | 52% | 0.52 | S | S | * | . | trans | -136.3 | 113.5 | 150.6 | 17.3 | 0 | 0 | 0 | 0 | 105.1 | N102 | N102-T104 PolarHBondContact O-N 3.03Å; N102-T104 PolarHBondContact O-OG1 3.08Å | ||
| 105 | H | 39.3 | Very low | 46.1 | Very low | 164 Ų | 164 | 97.3 Ų | 97.3 | 76% | 0.759 | 52% | 0.522 | S | S | * | . | trans | -33.9 | 122.3 | -176.1 | -66.2 | -93.2 | 0 | 0 | 0 | 111.9 | S107 | H105-S107 PolarHBondContact O-N 2.88Š| ||
| 106 | P | 43.6 | Very low | 45.2 | Very low | 75 Ų | 75 | 95.2 Ų | 95.2 | 49% | 0.487 | 52% | 0.521 | S | S | . | . | trans | -75.4 | 70.7 | 167.7 | 32.8 | -30.4 | 0 | 0 | 0 | 106.4 | ||||
| 107 | S | 46.8 | Very low | 44.4 | Very low | 40 Ų | 40 | 95.2 Ų | 95.2 | 28% | 0.28 | 53% | 0.528 | S | S | . | . | trans | -61.5 | 143.6 | 173.1 | 48.1 | 0 | 0 | 0 | 0 | 107.9 | H105 S109 F110 | H105-S107 PolarHBondContact O-N 2.88Å; S107-S109 PolarHBondContact O-N 2.84Å; S107-F110 PolarHBondContact O-N 3.11Å | ||
| 108 | S | 47.9 | Very low | 44.4 | Very low | 44 Ų | 44 | 92.7 Ų | 92.7 | 31% | 0.308 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -45.8 | -23.1 | 169 | 41.6 | 0 | 0 | 0 | 0 | 113.4 | F110 M111 L112 | S108-F110 VanDerWaalsContact C-N 3.35Å; S108-F110 PolarHBondContact O-N 3.36Å; S108-M111 PolarHBondContact O-N 2.95Å; S108-L112 PolarHBondContact O-N 3.39Å |
| 109 | S | 43 | Very low | 44.7 | Very low | 61 Ų | 61 | 90.3 Ų | 90.3 | 43% | 0.427 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.1 | -35.9 | 171 | -45.1 | 0 | 0 | 0 | 0 | 114.2 | S107 M111 L112 I113 | S107-S109 PolarHBondContact O-N 2.84Å; S109-M111 VanDerWaalsContact C-N 3.34Å; S109-M111 PolarHBondContact O-N 3.41Å; S109-L112 PolarHBondContact O-N 2.93Å; S109-I113 WeakPolarHBondContact O-CD1 3.47Å; S109-I113 VanDerWaalsContact O-CG1 3.22Å; S109-I113 WeakPolarHBondContact O-CG1 3.47Å; S109-I113 PolarHBondContact O-N 3.31Å |
| 110 | F | 44 | Very low | 45.3 | Very low | 133 Ų | 133 | 89.7 Ų | 89.7 | 58% | 0.583 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.7 | -34.4 | 178.5 | -99 | -86.5 | 0 | 0 | 0 | 112.6 | S107 S108 S114 | S107-F110 PolarHBondContact O-N 3.11Å; S108-F110 VanDerWaalsContact C-N 3.35Å; S108-F110 PolarHBondContact O-N 3.36Å; F110-S114 WeakPolarHBondContact O-CB 3.32Å; F110-S114 PolarHBondContact O-N 3.14Å |
| 111 | M | 51.5 | Low | 46 | Very low | 36 Ų | 36 | 85.9 Ų | 85.9 | 18% | 0.177 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -74 | -34.2 | 175.7 | -166.9 | -179.2 | -86 | 0 | 0 | 111.5 | V38 L96 S108 S109 S114 L115 | V38-M111 HydrophobicContact CB-CE 4.3Å; V38-M111 HydrophobicContact CB-SD 3.54Å; V38-M111 VanDerWaalsContact CB-SD 3.54Å; V38-M111 HydrophobicContact CG1-SD 3.88Å; V38-M111 HydrophobicContact CG2-CE 4.36Å; V38-M111 HydrophobicContact CG2-SD 3.99Å; L96-M111 HydrophobicContact CD1-CE 4.41Å; S108-M111 PolarHBondContact O-N 2.95Å; S109-M111 VanDerWaalsContact C-N 3.34Å; S109-M111 PolarHBondContact O-N 3.41Å; M111-S114 CarbonylContact O-C 3.51Å; M111-S114 PolarHBondContact O-N 3.37Å; M111-L115 WeakPolarHBondContact O-CB 3.41Å; M111-L115 PolarHBondContact O-N 3.43Å |
| 112 | L | 48.1 | Very low | 46.9 | Very low | 114 Ų | 114 | 81.4 Ų | 81.4 | 60% | 0.597 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -64.7 | -41 | 171.5 | -80.7 | 161.5 | 0 | 0 | 0 | 112.1 | S108 S109 S114 L115 A116 | S108-L112 PolarHBondContact O-N 3.39Å; S109-L112 PolarHBondContact O-N 2.93Å; L112-S114 VanDerWaalsContact C-N 3.34Å; L112-L115 WeakPolarHBondContact O-CB 3.16Å; L112-L115 PolarHBondContact O-N 2.93Å; L112-A116 PolarHBondContact O-N 2.89Å |
| 113 | I | 48.2 | Very low | 47.9 | Very low | 108 Ų | 108 | 77.9 Ų | 77.9 | 55% | 0.554 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64.2 | -40.9 | 173.4 | -66.8 | 162 | 0 | 0 | 0 | 110.3 | S109 L115 A116 A117 | S109-I113 WeakPolarHBondContact O-CD1 3.47Å; S109-I113 VanDerWaalsContact O-CG1 3.22Å; S109-I113 WeakPolarHBondContact O-CG1 3.47Å; S109-I113 PolarHBondContact O-N 3.31Å; I113-L115 VanDerWaalsContact C-N 3.32Å; I113-L115 PolarHBondContact O-N 3.42Å; I113-A116 PolarHBondContact O-N 3.45Å; I113-A117 PolarHBondContact O-N 3.02Å |
| 114 | S | 48.8 | Very low | 48.8 | Very low | 45 Ų | 45 | 69.1 Ų | 69.1 | 32% | 0.315 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.5 | -35 | 174.2 | -132.3 | 0 | 0 | 0 | 0 | 112.2 | F110 M111 L112 A117 L118 | F110-S114 WeakPolarHBondContact O-CB 3.32Å; F110-S114 PolarHBondContact O-N 3.14Å; M111-S114 CarbonylContact O-C 3.51Å; M111-S114 PolarHBondContact O-N 3.37Å; L112-S114 VanDerWaalsContact C-N 3.34Å; S114-A117 PolarHBondContact O-N 3.26Å; S114-L118 VanDerWaalsContact O-CB 3.31Å; S114-L118 WeakPolarHBondContact O-CB 3.32Å; S114-L118 PolarHBondContact O-N 2.81Å |
| 115 | L | 51.4 | Low | 49.1 | Very low | 18 Ų | 18 | 67.8 Ų | 67.8 | 9% | 0.094 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 174 | -123.8 | 86.9 | 0 | 0 | 0 | 111.9 | A40 V92 M111 L112 I113 L118 F119 | A40-L115 HydrophobicContact CB-CD1 4.38Å; A40-L115 HydrophobicContact CB-CD2 3.58Å; V92-L115 HydrophobicContact CB-CD1 3.92Å; V92-L115 HydrophobicContact CB-CD2 4.35Å; V92-L115 HydrophobicContact CB-CG 4.41Å; V92-L115 HydrophobicContact CG1-CD1 3.67Å; V92-L115 HydrophobicContact CG1-CG 4.47Å; V92-L115 HydrophobicContact CG2-CD1 4.19Å; V92-L115 HydrophobicContact CG2-CD2 4.01Å; V92-L115 HydrophobicContact CG2-CG 4.14Å; M111-L115 WeakPolarHBondContact O-CB 3.41Å; M111-L115 PolarHBondContact O-N 3.43Å; L112-L115 WeakPolarHBondContact O-CB 3.16Å; L112-L115 PolarHBondContact O-N 2.93Å; I113-L115 VanDerWaalsContact C-N 3.32Å; I113-L115 PolarHBondContact O-N 3.42Å; L115-L118 WeakPolarHBondContact O-CA 3.44Å; L115-L118 WeakPolarHBondContact O-CB 3.29Å; L115-L118 PolarHBondContact O-N 3.44Å; L115-F119 WeakPolarHBondContact O-CD2 3.33Å; L115-F119 PolarHBondContact O-N 2.77Å |
| 116 | A | 49.3 | Very low | 49.1 | Very low | 54 Ų | 54 | 72 Ų | 72 | 45% | 0.446 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.7 | -45.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L112 I113 L118 F119 D120 | L112-A116 PolarHBondContact O-N 2.89Å; I113-A116 PolarHBondContact O-N 3.45Å; A116-L118 PolarHBondContact O-N 3.04Å; A116-F119 WeakPolarHBondContact O-CB 3.12Å; A116-F119 PolarHBondContact O-N 3.29Å; A116-D120 PolarHBondContact O-N 2.68Å; A116-D120 VanDerWaalsContact O-N 3.12Å |
| 117 | A | 48.5 | Very low | 49.4 | Very low | 52 Ų | 52 | 71.9 Ų | 71.9 | 43% | 0.43 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.9 | -27.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I113 S114 D120 S121 | I113-A117 PolarHBondContact O-N 3.02Å; S114-A117 PolarHBondContact O-N 3.26Å; A117-D120 PolarHBondContact O-N 3.38Å; A117-S121 WeakPolarHBondContact O-CB 3.38Å; A117-S121 PolarHBondContact O-N 3.29Å; A117-S121 PolarHBondContact O-OG 3.09Å |
| 118 | L | 53.9 | Low | 49.5 | Very low | 11 Ų | 11 | 73.6 Ų | 73.6 | 6% | 0.058 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -67.2 | -38.3 | 172.2 | -133.9 | 137.3 | 0 | 0 | 0 | 111.2 | I75 L78 V82 S114 L115 A116 S121 L122 | I75-L118 HydrophobicContact CD1-CD1 3.5Å; I75-L118 HydrophobicContact CD1-CD2 3.29Å; I75-L118 HydrophobicContact CD1-CG 3.47Å; I75-L118 VanDerWaalsContact CD1-CG 3.47Å; L78-L118 HydrophobicContact CD1-CD1 4.17Å; V82-L118 HydrophobicContact CG2-CD2 3.67Å; S114-L118 VanDerWaalsContact O-CB 3.31Å; S114-L118 WeakPolarHBondContact O-CB 3.32Å; S114-L118 PolarHBondContact O-N 2.81Å; L115-L118 WeakPolarHBondContact O-CA 3.44Å; L115-L118 WeakPolarHBondContact O-CB 3.29Å; L115-L118 PolarHBondContact O-N 3.44Å; A116-L118 PolarHBondContact O-N 3.04Å; L118-S121 WeakPolarHBondContact CA-OG 3.41Å; L118-S121 PolarHBondContact O-N 3.43Å; L118-S121 PolarHBondContact O-OG 3.04Å; L118-L122 HydrophobicContact CD2-CD1 3.81Å; L118-L122 HydrophobicContact CD2-CG 4.16Å; L118-L122 WeakPolarHBondContact O-CB 3.33Å; L118-L122 WeakPolarHBondContact O-CD1 3.38Å; L118-L122 WeakPolarHBondContact O-CG 3.41Å; L118-L122 PolarHBondContact O-N 2.91Å |
| 119 | F | 55.2 | Low | 49.6 | Very low | 47 Ų | 47 | 75.2 Ų | 75.2 | 21% | 0.206 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -65 | -39.9 | 172.6 | -85.3 | -75.1 | 0 | 0 | 0 | 112.1 | C42 M44 L90 L115 A116 S121 V125 | C42-F119 HydrophobicContact CB-CZ 4.27Å; C42-F119 WeakPolarHBondContact SG-CZ 3.42Å; M44-F119 HydrophobicContact CE-CD1 4.38Å; M44-F119 HydrophobicContact CE-CE1 4.27Å; M44-F119 HydrophobicContact SD-CD1 4.14Å; M44-F119 HydrophobicContact SD-CE1 3.51Å; M44-F119 VanDerWaalsContact SD-CE1 3.51Å; M44-F119 HydrophobicContact SD-CZ 4.41Å; L90-F119 HydrophobicContact CD1-CE1 3.32Å; L90-F119 HydrophobicContact CD1-CZ 3.46Å; L90-F119 VanDerWaalsContact CD1-CZ 3.46Å; L115-F119 WeakPolarHBondContact O-CD2 3.33Å; L115-F119 PolarHBondContact O-N 2.77Å; A116-F119 WeakPolarHBondContact O-CB 3.12Å; A116-F119 PolarHBondContact O-N 3.29Å; F119-S121 VanDerWaalsContact C-N 3.29Å; F119-S121 PolarHBondContact O-N 3.12Å; F119-V125 WeakPolarHBondContact O-CG2 2.89Å |
| 120 | D | 51.9 | Low | 50 | Low | 137 Ų | 137 | 76.1 Ų | 76.1 | 73% | 0.733 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -69.7 | -26 | 176.6 | -64.3 | -27.7 | 0 | 0 | 0 | 113.1 | A116 A117 | A116-D120 PolarHBondContact O-N 2.68Å; A116-D120 VanDerWaalsContact O-N 3.12Å; A117-D120 PolarHBondContact O-N 3.38Å |
| 121 | S | 48.8 | Very low | 50.4 | Low | 86 Ų | 86 | 72.5 Ų | 72.5 | 60% | 0.601 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -98.8 | -11.5 | -179.3 | 50.7 | 0 | 0 | 0 | 0 | 114.1 | A117 L118 F119 | A117-S121 WeakPolarHBondContact O-CB 3.38Å; A117-S121 PolarHBondContact O-N 3.29Å; A117-S121 PolarHBondContact O-OG 3.09Å; L118-S121 WeakPolarHBondContact CA-OG 3.41Å; L118-S121 PolarHBondContact O-N 3.43Å; L118-S121 PolarHBondContact O-OG 3.04Å; F119-S121 VanDerWaalsContact C-N 3.29Å; F119-S121 PolarHBondContact O-N 3.12Å |
| 122 | L | 58.7 | Low | 50.3 | Low | 9 Ų | 9 | 74.9 Ų | 74.9 | 5% | 0.047 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -77.6 | 131.6 | 170.3 | -80.2 | 166.6 | 0 | 0 | 0 | 108.6 | Y73 L118 F124 | Y73-L122 HydrophobicContact CD1-CD2 4.14Å; Y73-L122 HydrophobicContact CD2-CD2 4.45Å; Y73-L122 HydrophobicContact CE1-CD2 4.03Å; Y73-L122 HydrophobicContact CE2-CD2 4.37Å; Y73-L122 HydrophobicContact CG-CD2 4.36Å; L118-L122 HydrophobicContact CD2-CD1 3.81Å; L118-L122 HydrophobicContact CD2-CG 4.16Å; L118-L122 WeakPolarHBondContact O-CB 3.33Å; L118-L122 WeakPolarHBondContact O-CD1 3.38Å; L118-L122 WeakPolarHBondContact O-CG 3.41Å; L118-L122 PolarHBondContact O-N 2.91Å; L122-F124 HydrophobicContact CB-CD2 3.69Å; L122-F124 HydrophobicContact CB-CE2 4.42Å; L122-F124 HydrophobicContact CD1-CD2 4.07Å; L122-F124 HydrophobicContact CD1-CE2 4.32Å; L122-F124 HydrophobicContact CD2-CD2 4.1Å; L122-F124 HydrophobicContact CD2-CE2 3.96Å; L122-F124 HydrophobicContact CG-CD2 4.16Å; L122-F124 HydrophobicContact CG-CE2 4.47Å; L122-F124 PolarHBondContact O-N 3.43Å |
| 123 | P | 54.3 | Low | 50.5 | Low | 69 Ų | 69 | 72.1 Ų | 72.1 | 45% | 0.448 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | 16 | -178.3 | 28.4 | -34.6 | 0 | 0 | 0 | 114.3 | N57 | N57-P123 WeakPolarHBondContact OD1-CG 3.34Š|
| 124 | F | 54.3 | Low | 50.6 | Low | 35 Ų | 35 | 69.4 Ų | 69.4 | 15% | 0.154 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -12.6 | -178.3 | -68.3 | -62.8 | 0 | 0 | 0 | 114.4 | V48 F53 V84 L122 | V48-F124 HydrophobicContact CG1-CD1 4.25Å; V48-F124 HydrophobicContact CG1-CE1 3.5Å; V48-F124 HydrophobicContact CG1-CZ 4.24Å; F53-F124 HydrophobicContact CB-CE1 4.03Å; F53-F124 HydrophobicContact CB-CZ 4.42Å; F53-F124 HydrophobicContact CD1-CE1 4.24Å; F53-F124 AromaticContact CD1-CZ 3.77Å; F53-F124 HydrophobicContact CD1-CZ 3.77Å; F53-F124 HydrophobicContact CD2-CD1 4.09Å; F53-F124 AromaticContact CD2-CE1 3.1Å; F53-F124 HydrophobicContact CD2-CE1 3.1Å; F53-F124 AromaticContact CD2-CE2 3.9Å; F53-F124 HydrophobicContact CD2-CE2 3.9Å; F53-F124 AromaticContact CD2-CZ 3.01Å; F53-F124 HydrophobicContact CD2-CZ 3.01Å; F53-F124 HydrophobicContact CE1-CE2 4.38Å; F53-F124 AromaticContact CE1-CZ 3.67Å; F53-F124 HydrophobicContact CE1-CZ 3.67Å; F53-F124 HydrophobicContact CE2-CD1 4.42Å; F53-F124 HydrophobicContact CE2-CD2 4.31Å; F53-F124 AromaticContact CE2-CE1 3.52Å; F53-F124 HydrophobicContact CE2-CE1 3.52Å; F53-F124 AromaticContact CE2-CE2 3.35Å; F53-F124 HydrophobicContact CE2-CE2 3.35Å; F53-F124 AromaticContact CE2-CZ 2.9Å; F53-F124 HydrophobicContact CE2-CZ 2.9Å; F53-F124 AromaticContact CG-CE1 3.51Å; F53-F124 HydrophobicContact CG-CE1 3.51Å; F53-F124 AromaticContact CG-CZ 3.45Å; F53-F124 HydrophobicContact CG-CZ 3.45Å; F53-F124 VanDerWaalsContact CG-CZ 3.45Å; F53-F124 HydrophobicContact CZ-CE1 4.21Å; F53-F124 AromaticContact CZ-CE2 3.61Å; F53-F124 HydrophobicContact CZ-CE2 3.61Å; F53-F124 AromaticContact CZ-CZ 3.24Å; F53-F124 HydrophobicContact CZ-CZ 3.24Å; V84-F124 HydrophobicContact CG1-CZ 3.98Å; V84-F124 HydrophobicContact CG2-CE2 4.12Å; V84-F124 HydrophobicContact CG2-CZ 4.01Å; L122-F124 HydrophobicContact CB-CD2 3.69Å; L122-F124 HydrophobicContact CB-CE2 4.42Å; L122-F124 HydrophobicContact CD1-CD2 4.07Å; L122-F124 HydrophobicContact CD1-CE2 4.32Å; L122-F124 HydrophobicContact CD2-CD2 4.1Å; L122-F124 HydrophobicContact CD2-CE2 3.96Å; L122-F124 HydrophobicContact CG-CD2 4.16Å; L122-F124 HydrophobicContact CG-CE2 4.47Å; L122-F124 PolarHBondContact O-N 3.43Å |
| 125 | V | 44 | Very low | 50.8 | Low | 86 Ų | 86 | 71.4 Ų | 71.4 | 52% | 0.521 | 41% | 0.41 | S | S | . | . | trans | -102.7 | 10.7 | -169.6 | -174 | 0 | 0 | 0 | 0 | 113.3 | M44 F119 | M44-V125 HydrophobicContact CE-CG2 4.41Å; F119-V125 WeakPolarHBondContact O-CG2 2.89Å | ||
| 126 | Q | 39.3 | Very low | 50.7 | Low | 253 Ų | 253 | 76.3 Ų | 76.3 | 100% | 1.182 | 44% | 0.439 | S | S | * | . | trans | -89 | 0 | 170.7 | -73.1 | -166.8 | -59 | 0 | 0 | 112.6 |
Retrieved 126 of 126 residues in 79.5 ms
(Link to these results)