| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 60.5 | Low | 70.1 | Confident | 210 Ų | 210 | 135.5 Ų | 135.5 | 100% | 1.034 | 65% | 0.648 | S | S | * | * | 0 | -49 | 0 | -83.5 | 172.2 | 75 | 0 | 0 | 114 | N3 M4 Q5 | M1-N3 VanDerWaalsContact C-N 3.29Å; M1-N3 PolarHBondContact O-N 3.23Å; M1-M4 PolarHBondContact O-N 3.06Å; M1-M4 VanDerWaalsContact O-N 3.07Å; M1-Q5 PolarHBondContact O-N 3.33Å | |||
| 2 | K | 67 | Low | 70.3 | Confident | 187 Ų | 187 | 130 Ų | 130 | 81% | 0.813 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -51.8 | -39.2 | 178.5 | -84.6 | 176.7 | 172.2 | 178.4 | 0 | 115 | M4 Q5 N6 | K2-M4 VanDerWaalsContact C-N 3.33Å; K2-M4 PolarHBondContact O-N 3.44Å; K2-Q5 PolarHBondContact O-N 3.38Å; K2-N6 PolarHBondContact O-N 3.05Å; K2-N6 VanDerWaalsContact O-N 3.11Å |
| 3 | N | 65.7 | Low | 70.6 | Confident | 127 Ų | 127 | 130.2 Ų | 130.2 | 68% | 0.679 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.4 | -21 | 179.9 | -67.1 | 1.9 | 0 | 0 | 0 | 114.9 | M1 | M1-N3 VanDerWaalsContact C-N 3.29Å; M1-N3 PolarHBondContact O-N 3.23Å |
| 4 | M | 67.3 | Low | 70.1 | Confident | 148 Ų | 148 | 122.9 Ų | 122.9 | 73% | 0.729 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -84.7 | -39.1 | 173.8 | -81.7 | -147.3 | -102 | 0 | 0 | 111.1 | M1 K2 N6 R7 Y8 | M1-M4 PolarHBondContact O-N 3.06Å; M1-M4 VanDerWaalsContact O-N 3.07Å; K2-M4 VanDerWaalsContact C-N 3.33Å; K2-M4 PolarHBondContact O-N 3.44Å; M4-N6 VanDerWaalsContact C-N 3.35Å; M4-N6 PolarHBondContact O-N 3.05Å; M4-R7 PolarHBondContact O-N 3.48Å; M4-Y8 PolarHBondContact O-N 3.38Å |
| 5 | Q | 73.4 | Confident | 69.7 | Low | 147 Ų | 147 | 120.3 Ų | 120.3 | 69% | 0.687 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -60.1 | -45.1 | 175.8 | -160.4 | 81.3 | 10.2 | 0 | 0 | 111.5 | M1 K2 R7 Y8 S9 | M1-Q5 PolarHBondContact O-N 3.33Å; K2-Q5 PolarHBondContact O-N 3.38Å; Q5-R7 VanDerWaalsContact C-N 3.32Å; Q5-R7 PolarHBondContact O-N 3.14Å; Q5-Y8 WeakPolarHBondContact O-CB 3.42Å; Q5-Y8 PolarHBondContact O-N 3.1Å; Q5-Y8 VanDerWaalsContact O-N 3.17Å; Q5-S9 PolarHBondContact O-N 2.94Å; Q5-S9 PolarHBondContact O-OG 3.12Å |
| 6 | N | 72.8 | Confident | 69.5 | Low | 100 Ų | 100 | 120.3 Ų | 120.3 | 54% | 0.535 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.1 | -39 | -178.7 | -147.2 | 9.6 | 0 | 0 | 0 | 111.9 | K2 M4 Y8 S9 D10 | K2-N6 PolarHBondContact O-N 3.05Å; K2-N6 VanDerWaalsContact O-N 3.11Å; M4-N6 VanDerWaalsContact C-N 3.35Å; M4-N6 PolarHBondContact O-N 3.05Å; N6-Y8 VanDerWaalsContact C-N 3.31Å; N6-Y8 PolarHBondContact O-N 2.9Å; N6-S9 VanDerWaalsContact CA-OG 3.3Å; N6-S9 WeakPolarHBondContact CA-OG 3.4Å; N6-S9 PolarHBondContact O-N 3.18Å; N6-S9 PolarHBondContact O-OG 3.35Å; N6-D10 VanDerWaalsContact O-CG 3.29Å; N6-D10 PolarHBondContact O-N 2.87Å; N6-D10 VanDerWaalsContact O-OD2 3.13Å |
| 7 | R | 70.4 | Confident | 69.4 | Low | 160 Ų | 160 | 118.2 Ų | 118.2 | 60% | 0.604 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.5 | -36.1 | 176.3 | -145.2 | 178.5 | -57 | -170.1 | -0.2 | 111.9 | M4 Q5 I11 | M4-R7 PolarHBondContact O-N 3.48Å; Q5-R7 VanDerWaalsContact C-N 3.32Å; Q5-R7 PolarHBondContact O-N 3.14Å; R7-I11 WeakPolarHBondContact O-CB 3.42Å; R7-I11 VanDerWaalsContact O-CD1 3.31Å; R7-I11 WeakPolarHBondContact O-CD1 3.43Å; R7-I11 WeakPolarHBondContact O-CG1 3.43Å; R7-I11 PolarHBondContact O-N 3.31Å |
| 8 | Y | 73.3 | Confident | 69 | Low | 168 Ų | 168 | 113.4 Ų | 113.4 | 66% | 0.659 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -69 | -43.3 | 176.3 | -161.5 | -92 | 0 | 0 | 0 | 111.2 | M4 Q5 N6 I11 D12 | M4-Y8 PolarHBondContact O-N 3.38Å; Q5-Y8 WeakPolarHBondContact O-CB 3.42Å; Q5-Y8 PolarHBondContact O-N 3.1Å; Q5-Y8 VanDerWaalsContact O-N 3.17Å; N6-Y8 VanDerWaalsContact C-N 3.31Å; N6-Y8 PolarHBondContact O-N 2.9Å; Y8-I11 PolarHBondContact O-N 3.13Å; Y8-D12 WeakPolarHBondContact O-CB 3.01Å; Y8-D12 PolarHBondContact O-N 2.85Å |
| 9 | S | 75.8 | Confident | 68.4 | Low | 59 Ų | 59 | 110.1 Ų | 110.1 | 41% | 0.413 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.6 | -38.1 | 176.4 | 46.5 | 0 | 0 | 0 | 0 | 113.4 | Q5 N6 D12 F13 | Q5-S9 PolarHBondContact O-N 2.94Å; Q5-S9 PolarHBondContact O-OG 3.12Å; N6-S9 VanDerWaalsContact CA-OG 3.3Å; N6-S9 WeakPolarHBondContact CA-OG 3.4Å; N6-S9 PolarHBondContact O-N 3.18Å; N6-S9 PolarHBondContact O-OG 3.35Å; S9-D12 PolarHBondContact O-N 2.86Å; S9-F13 WeakPolarHBondContact O-CB 3.26Å; S9-F13 PolarHBondContact O-N 3.31Å |
| 10 | D | 74.6 | Confident | 67.7 | Low | 100 Ų | 100 | 113.3 Ų | 113.3 | 54% | 0.535 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 175.6 | -72 | -36.5 | 0 | 0 | 0 | 111.5 | N6 D12 A14 | N6-D10 VanDerWaalsContact O-CG 3.29Å; N6-D10 PolarHBondContact O-N 2.87Å; N6-D10 VanDerWaalsContact O-OD2 3.13Å; D10-D12 VanDerWaalsContact C-N 3.34Å; D10-A14 WeakPolarHBondContact O-CB 3.45Å; D10-A14 PolarHBondContact O-N 3.42Å |
| 11 | I | 70.4 | Confident | 67.1 | Low | 85 Ų | 85 | 114.2 Ų | 114.2 | 44% | 0.436 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.9 | -38.2 | 176.6 | -67.4 | 167.8 | 0 | 0 | 0 | 110.6 | R7 Y8 K15 | R7-I11 WeakPolarHBondContact O-CB 3.42Å; R7-I11 VanDerWaalsContact O-CD1 3.31Å; R7-I11 WeakPolarHBondContact O-CD1 3.43Å; R7-I11 WeakPolarHBondContact O-CG1 3.43Å; R7-I11 PolarHBondContact O-N 3.31Å; Y8-I11 PolarHBondContact O-N 3.13Å; I11-K15 HydrophobicContact CG2-CD 4.14Å; I11-K15 WeakPolarHBondContact O-CB 3.36Å; I11-K15 WeakPolarHBondContact O-CG 3.34Å; I11-K15 PolarHBondContact O-N 3.14Å |
| 12 | D | 72.1 | Confident | 67.1 | Low | 69 Ų | 69 | 108.4 Ų | 108.4 | 37% | 0.369 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -72.1 | -38.3 | 179.7 | -149.6 | 55 | 0 | 0 | 0 | 112.1 | Y8 S9 D10 K15 Q16 | Y8-D12 WeakPolarHBondContact O-CB 3.01Å; Y8-D12 PolarHBondContact O-N 2.85Å; S9-D12 PolarHBondContact O-N 2.86Å; D10-D12 VanDerWaalsContact C-N 3.34Å; D12-K15 PolarHBondContact O-N 3.26Å; D12-Q16 WeakPolarHBondContact O-CB 3.32Å; D12-Q16 PolarHBondContact O-N 3.45Å |
| 13 | F | 74.2 | Confident | 67 | Low | 132 Ų | 132 | 100.7 Ų | 100.7 | 58% | 0.579 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.9 | -45.3 | 171.4 | 177.7 | -101.8 | 0 | 0 | 0 | 111.7 | S9 Q16 L17 | S9-F13 WeakPolarHBondContact O-CB 3.26Å; S9-F13 PolarHBondContact O-N 3.31Å; F13-Q16 PolarHBondContact O-N 3.02Å; F13-L17 HydrophobicContact CE1-CD2 4.49Å; F13-L17 WeakPolarHBondContact O-CB 3.31Å; F13-L17 PolarHBondContact O-N 3.05Å |
| 14 | A | 64.4 | Low | 66.8 | Low | 28 Ų | 28 | 98.9 Ų | 98.9 | 23% | 0.231 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -59.6 | -48.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | D10 Q16 L17 F18 | D10-A14 WeakPolarHBondContact O-CB 3.45Å; D10-A14 PolarHBondContact O-N 3.42Å; A14-Q16 VanDerWaalsContact C-N 3.31Å; A14-Q16 PolarHBondContact O-N 3.43Å; A14-L17 PolarHBondContact O-N 3.45Å; A14-F18 HydrophobicContact CB-CD2 4.22Å; A14-F18 HydrophobicContact CB-CE2 4.1Å; A14-F18 WeakPolarHBondContact O-CB 3.31Å; A14-F18 WeakPolarHBondContact O-CD2 3.21Å; A14-F18 WeakPolarHBondContact O-CG 3.23Å; A14-F18 PolarHBondContact O-N 2.9Å |
| 15 | K | 63.9 | Low | 66.8 | Low | 85 Ų | 85 | 94.2 Ų | 94.2 | 37% | 0.37 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.6 | -42.5 | 175.5 | -76.7 | 173.1 | 178.7 | -177.6 | 0 | 112.2 | I11 D12 F18 S19 | I11-K15 HydrophobicContact CG2-CD 4.14Å; I11-K15 WeakPolarHBondContact O-CB 3.36Å; I11-K15 WeakPolarHBondContact O-CG 3.34Å; I11-K15 PolarHBondContact O-N 3.14Å; D12-K15 PolarHBondContact O-N 3.26Å; K15-F18 PolarHBondContact O-N 2.79Å; K15-S19 VanDerWaalsContact O-CB 3.25Å; K15-S19 WeakPolarHBondContact O-CB 3.3Å; K15-S19 PolarHBondContact O-N 3.39Å |
| 16 | Q | 66.6 | Low | 66.4 | Low | 119 Ų | 119 | 91.8 Ų | 91.8 | 56% | 0.556 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -60.8 | -51.8 | 175.1 | -86.6 | -179.5 | 32.5 | 0 | 0 | 110.5 | D12 F13 A14 F18 S19 W20 | D12-Q16 WeakPolarHBondContact O-CB 3.32Å; D12-Q16 PolarHBondContact O-N 3.45Å; F13-Q16 PolarHBondContact O-N 3.02Å; A14-Q16 VanDerWaalsContact C-N 3.31Å; A14-Q16 PolarHBondContact O-N 3.43Å; Q16-F18 VanDerWaalsContact C-N 3.34Å; Q16-F18 PolarHBondContact O-N 3.47Å; Q16-S19 WeakPolarHBondContact O-CB 3.1Å; Q16-S19 PolarHBondContact O-N 2.92Å; Q16-W20 PolarHBondContact O-NE1 2.89Å |
| 17 | L | 66.7 | Low | 65.8 | Low | 86 Ų | 86 | 91.6 Ų | 91.6 | 45% | 0.45 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58.6 | -40.5 | 179.6 | -167 | 71.4 | 0 | 0 | 0 | 112.6 | F13 A14 S19 W20 | F13-L17 HydrophobicContact CE1-CD2 4.49Å; F13-L17 WeakPolarHBondContact O-CB 3.31Å; F13-L17 PolarHBondContact O-N 3.05Å; A14-L17 PolarHBondContact O-N 3.45Å; L17-S19 VanDerWaalsContact C-N 3.33Å; L17-W20 WeakPolarHBondContact O-CB 3.18Å; L17-W20 VanDerWaalsContact O-CD1 3.31Å; L17-W20 PolarHBondContact O-N 3.38Å |
| 18 | F | 62.4 | Low | 65.1 | Low | 32 Ų | 32 | 93.4 Ų | 93.4 | 14% | 0.14 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -79.2 | -13.3 | 177.7 | -67.7 | -58.5 | 0 | 0 | 0 | 114 | A14 K15 Q16 W20 W46 F112 F115 | A14-F18 HydrophobicContact CB-CD2 4.22Å; A14-F18 HydrophobicContact CB-CE2 4.1Å; A14-F18 WeakPolarHBondContact O-CB 3.31Å; A14-F18 WeakPolarHBondContact O-CD2 3.21Å; A14-F18 WeakPolarHBondContact O-CG 3.23Å; A14-F18 PolarHBondContact O-N 2.9Å; K15-F18 PolarHBondContact O-N 2.79Å; Q16-F18 VanDerWaalsContact C-N 3.34Å; Q16-F18 PolarHBondContact O-N 3.47Å; F18-W20 VanDerWaalsContact C-N 3.32Å; F18-W46 AromaticContact CD1-CH2 3.92Å; F18-W46 HydrophobicContact CD1-CH2 3.92Å; F18-W46 AromaticContact CD1-CZ2 3.82Å; F18-W46 HydrophobicContact CD1-CZ2 3.82Å; F18-W46 HydrophobicContact CE1-CH2 4.2Å; F18-W46 HydrophobicContact CE1-CZ2 4.47Å; F18-F112 AromaticContact CD2-CD2 3.81Å; F18-F112 HydrophobicContact CD2-CD2 3.81Å; F18-F112 HydrophobicContact CD2-CE2 4.37Å; F18-F112 AromaticContact CE2-CD2 3.94Å; F18-F112 HydrophobicContact CE2-CD2 3.94Å; F18-F112 HydrophobicContact CE2-CE2 4.04Å; F18-F115 HydrophobicContact CD1-CB 4Å; F18-F115 HydrophobicContact CD1-CD1 4.27Å; F18-F115 AromaticContact CD1-CD2 3.82Å; F18-F115 HydrophobicContact CD1-CD2 3.82Å; F18-F115 HydrophobicContact CD1-CE2 4.35Å; F18-F115 AromaticContact CD1-CG 3.75Å; F18-F115 HydrophobicContact CD1-CG 3.75Å; F18-F115 HydrophobicContact CE1-CB 4.11Å; F18-F115 AromaticContact CE1-CD1 3.64Å; F18-F115 HydrophobicContact CE1-CD1 3.64Å; F18-F115 AromaticContact CE1-CD2 3.19Å; F18-F115 HydrophobicContact CE1-CD2 3.19Å; F18-F115 AromaticContact CE1-CE1 3.77Å; F18-F115 HydrophobicContact CE1-CE1 3.77Å; F18-F115 AromaticContact CE1-CE2 3.32Å; F18-F115 HydrophobicContact CE1-CE2 3.32Å; F18-F115 AromaticContact CE1-CG 3.34Å; F18-F115 HydrophobicContact CE1-CG 3.34Å; F18-F115 AromaticContact CE1-CZ 3.61Å; F18-F115 HydrophobicContact CE1-CZ 3.61Å; F18-F115 HydrophobicContact CE2-CD1 4.19Å; F18-F115 HydrophobicContact CE2-CE1 4.22Å; F18-F115 AromaticContact CZ-CD1 3.59Å; F18-F115 HydrophobicContact CZ-CD1 3.59Å; F18-F115 AromaticContact CZ-CD2 3.93Å; F18-F115 HydrophobicContact CZ-CD2 3.93Å; F18-F115 AromaticContact CZ-CE1 3.42Å; F18-F115 HydrophobicContact CZ-CE1 3.42Å; F18-F115 VanDerWaalsContact CZ-CE1 3.42Å; F18-F115 AromaticContact CZ-CE2 3.76Å; F18-F115 HydrophobicContact CZ-CE2 3.76Å; F18-F115 AromaticContact CZ-CG 3.84Å; F18-F115 HydrophobicContact CZ-CG 3.84Å; F18-F115 AromaticContact CZ-CZ 3.5Å; F18-F115 HydrophobicContact CZ-CZ 3.5Å |
| 19 | S | 57.8 | Low | 64.5 | Low | 49 Ų | 49 | 92.9 Ų | 92.9 | 34% | 0.343 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -7.6 | 172 | -163.6 | 0 | 0 | 0 | 0 | 113 | K15 Q16 L17 N21 | K15-S19 VanDerWaalsContact O-CB 3.25Å; K15-S19 WeakPolarHBondContact O-CB 3.3Å; K15-S19 PolarHBondContact O-N 3.39Å; Q16-S19 WeakPolarHBondContact O-CB 3.1Å; Q16-S19 PolarHBondContact O-N 2.92Å; L17-S19 VanDerWaalsContact C-N 3.33Å; S19-N21 PolarHBondContact O-N 3.4Å |
| 20 | W | 54.7 | Low | 64 | Low | 175 Ų | 175 | 93.4 Ų | 93.4 | 66% | 0.663 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -67.9 | 107.8 | -179.9 | -78 | 66.7 | 0 | 0 | 0 | 111.4 | Q16 L17 F18 L22 | Q16-W20 PolarHBondContact O-NE1 2.89Å; L17-W20 WeakPolarHBondContact O-CB 3.18Å; L17-W20 VanDerWaalsContact O-CD1 3.31Å; L17-W20 PolarHBondContact O-N 3.38Å; F18-W20 VanDerWaalsContact C-N 3.32Å; W20-L22 PolarHBondContact O-N 2.98Å |
| 21 | N | 55.7 | Low | 63.7 | Low | 132 Ų | 132 | 91.1 Ų | 91.1 | 71% | 0.706 | 46% | 0.458 | S | S | * | . | S | Bend | trans | 31.5 | 1.1 | 148.3 | -89.8 | -47 | 0 | 0 | 0 | 122.8 | S19 | S19-N21 PolarHBondContact O-N 3.4Š|
| 22 | L | 60.8 | Low | 64.1 | Low | 88 Ų | 88 | 91.2 Ų | 91.2 | 46% | 0.461 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -81.1 | -31.4 | -175.5 | -82.1 | 153.3 | 0 | 0 | 0 | 111.9 | W20 L45 W46 | W20-L22 PolarHBondContact O-N 2.98Å; L22-L45 HydrophobicContact CB-CD2 3.78Å; L22-L45 HydrophobicContact CD2-CD2 4.04Å; L22-L45 HydrophobicContact CG-CD2 4.39Å; L22-L45 VanDerWaalsContact O-CD1 3.28Å; L22-L45 WeakPolarHBondContact O-CD1 3.49Å; L22-W46 HydrophobicContact CD1-CH2 3.98Å; L22-W46 HydrophobicContact CD1-CZ2 4.23Å |
| 23 | V | 63.8 | Low | 64.4 | Low | 25 Ų | 25 | 88 Ų | 88 | 15% | 0.152 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -97.7 | 124.1 | 177.8 | -175.2 | 0 | 0 | 0 | 0 | 108.6 | R25 L33 | V23-R25 PolarHBondContact O-N 2.83Å; V23-R25 VanDerWaalsContact O-N 3.14Å; V23-L33 HydrophobicContact CG1-CD2 4.11Å |
| 24 | P | 62 | Low | 64.7 | Low | 90 Ų | 90 | 85.7 Ų | 85.7 | 58% | 0.584 | 43% | 0.431 | S | S | * | . | trans | -56.9 | 120.3 | 172.1 | -19.4 | 30.4 | 0 | 0 | 0 | 108.8 | ||||
| 25 | R | 66.4 | Low | 65.8 | Low | 49 Ų | 49 | 88 Ų | 88 | 19% | 0.185 | 44% | 0.439 | C | S | . | . | trans | -124.7 | 133.7 | -175.2 | -167.7 | 173.5 | -131.9 | 148.8 | 14.7 | 110.1 | V23 N27 D30 T31 F32 E38 S111 | V23-R25 PolarHBondContact O-N 2.83Å; V23-R25 VanDerWaalsContact O-N 3.14Å; R25-N27 WeakPolarHBondContact CD-O 3.1Å; R25-N27 WeakPolarHBondContact CG-O 3.37Å; R25-D30 PolarHBondContact NE-O 3.46Å; R25-D30 PolarHBondContact NH1-O 3.49Å; R25-D30 PolarHBondContact NH2-O 2.92Å; R25-D30 VanDerWaalsContact NH2-O 3.12Å; R25-T31 PolarHBondContact NH2-O 3.37Å; R25-T31 VanDerWaalsContact NH2-O 3.15Å; R25-F32 PolarHBondContact NE-O 3.32Å; R25-F32 VanDerWaalsContact NH2-N 3.12Å; R25-F32 PolarHBondContact NH2-O 3.04Å; R25-E38 WeakPolarHBondContact CA-OE1 3.42Å; R25-S111 PolarHBondContact NH1-OG 2.95Å; R25-S111 PolarHBondContact NH2-OG 2.98Å | ||
| 26 | T | 65 | Low | 66.9 | Low | 97 Ų | 97 | 88 Ų | 88 | 60% | 0.595 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -69.3 | -37 | 179 | -152.7 | 0 | 0 | 0 | 0 | 111.6 | E38 | T26-E38 WeakPolarHBondContact CB-OE1 3.35Å; T26-E38 PolarHBondContact N-OE1 3.38Å |
| 27 | N | 60.2 | Low | 67.9 | Low | 96 Ų | 96 | 85.1 Ų | 85.1 | 51% | 0.513 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -129.9 | 108.4 | 175.2 | -86.9 | -60.5 | 0 | 0 | 0 | 112.2 | R25 N29 D30 | R25-N27 WeakPolarHBondContact CD-O 3.1Å; R25-N27 WeakPolarHBondContact CG-O 3.37Å; N27-N29 PolarHBondContact O-N 3.26Å; N27-N29 VanDerWaalsContact O-N 3.08Å; N27-D30 VanDerWaalsContact CB-OD2 3.25Å; N27-D30 WeakPolarHBondContact CB-OD2 3.2Å; N27-D30 PolarHBondContact O-N 2.85Å |
| 28 | R | 56.9 | Low | 68.9 | Low | 197 Ų | 197 | 81.7 Ų | 81.7 | 74% | 0.743 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -18.5 | -173.3 | -78.2 | -173.8 | -172.7 | 151.5 | 3.4 | 116.1 | ||
| 29 | N | 60.1 | Low | 70.2 | Confident | 158 Ų | 158 | 80.1 Ų | 80.1 | 85% | 0.845 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -14.7 | -176.1 | -72.9 | -8 | 0 | 0 | 0 | 113.8 | N27 | N27-N29 PolarHBondContact O-N 3.26Å; N27-N29 VanDerWaalsContact O-N 3.08Å |
| 30 | D | 64.5 | Low | 71.7 | Confident | 70 Ų | 70 | 80.5 Ų | 80.5 | 37% | 0.374 | 40% | 0.401 | S | S | . | . | trans | -84.4 | 140 | -177 | -60.4 | -30.1 | 0 | 0 | 0 | 109.2 | R25 N27 | R25-D30 PolarHBondContact NE-O 3.46Å; R25-D30 PolarHBondContact NH1-O 3.49Å; R25-D30 PolarHBondContact NH2-O 2.92Å; R25-D30 VanDerWaalsContact NH2-O 3.12Å; N27-D30 VanDerWaalsContact CB-OD2 3.25Å; N27-D30 WeakPolarHBondContact CB-OD2 3.2Å; N27-D30 PolarHBondContact O-N 2.85Å | ||
| 31 | T | 69.5 | Low | 73.3 | Confident | 52 Ų | 52 | 77 Ų | 77 | 32% | 0.319 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -85.1 | -1.1 | 175.1 | -8.3 | 0 | 0 | 0 | 0 | 112.5 | R25 S111 | R25-T31 PolarHBondContact NH2-O 3.37Å; R25-T31 VanDerWaalsContact NH2-O 3.15Å; T31-S111 PolarHBondContact O-N 3.39Å; T31-S111 PolarHBondContact O-OG 3Å |
| 32 | F | 78 | Confident | 74.8 | Confident | 86 Ų | 86 | 70.8 Ų | 70.8 | 38% | 0.377 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 153.5 | -173.2 | -61.2 | -85.4 | 0 | 0 | 0 | 111.9 | R25 M109 M110 | R25-F32 PolarHBondContact NE-O 3.32Å; R25-F32 VanDerWaalsContact NH2-N 3.12Å; R25-F32 PolarHBondContact NH2-O 3.04Å; F32-M109 CarbonylContact C-O 3.54Å; F32-M109 WeakPolarHBondContact CA-O 3.43Å; F32-M110 HydrophobicContact CD1-CB 4.28Å; F32-M110 HydrophobicContact CE1-CB 4.25Å; F32-M110 HydrophobicContact CE1-CE 3.77Å; F32-M110 HydrophobicContact CE1-CG 4.42Å; F32-M110 HydrophobicContact CZ-CE 3.85Å |
| 33 | L | 79.6 | Confident | 76.2 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 123.6 | 175.6 | -57.6 | 169.4 | 0 | 0 | 0 | 105.9 | V23 E38 M39 M109 A114 | V23-L33 HydrophobicContact CG1-CD2 4.11Å; L33-E38 HydrophobicContact CB-CB 4.14Å; L33-E38 HydrophobicContact CD2-CB 4.06Å; L33-M39 HydrophobicContact CB-CG 3.79Å; L33-M109 HydrophobicContact CB-CE 4.48Å; L33-M109 HydrophobicContact CD1-CE 3.5Å; L33-M109 PolarHBondContact N-O 2.92Å; L33-M109 PolarHBondContact O-N 2.91Å; L33-A114 HydrophobicContact CD1-CB 4.09Å |
| 34 | I | 80.1 | Confident | 77.5 | Confident | 85 Ų | 85 | 67.7 Ų | 67.7 | 44% | 0.436 | 34% | 0.336 | S | S | . | . | trans | -111.7 | -39 | -167.9 | -55 | 177.1 | 0 | 0 | 0 | 110.1 | E38 T108 | I34-E38 PolarHBondContact N-OE2 2.99Å; I34-E38 VanDerWaalsContact N-OE2 3.15Å; I34-T108 HydrophobicContact CG1-CG2 4.02Å; I34-T108 HydrophobicContact CG2-CG2 4.47Å | ||
| 35 | D | 86.3 | Confident | 78.7 | Confident | 77 Ų | 77 | 65.6 Ų | 65.6 | 41% | 0.412 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -81.2 | 145.3 | 179.5 | -72.2 | -36.2 | 0 | 0 | 0 | 111.4 | S37 E38 M39 | D35-S37 PolarHBondContact O-N 3.23Å; D35-E38 HydrophobicContact CB-CB 4.41Å; D35-E38 HydrophobicContact CB-CG 4.01Å; D35-E38 PolarHBondContact N-OE2 3.41Å; D35-E38 PolarHBondContact O-N 3.43Å; D35-E38 VanDerWaalsContact O-N 3.14Å; D35-M39 WeakPolarHBondContact O-CG 3.49Å; D35-M39 PolarHBondContact O-N 3.17Å |
| 36 | F | 88.4 | Confident | 79.8 | Confident | 83 Ų | 83 | 64.6 Ų | 64.6 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -54.2 | -44 | 177.3 | 169.5 | -93.3 | 0 | 0 | 0 | 111.4 | E38 M39 W40 A96 A99 | F36-E38 PolarHBondContact O-N 2.87Å; F36-M39 PolarHBondContact O-N 3.39Å; F36-W40 HydrophobicContact CE1-CB 4.31Å; F36-W40 HydrophobicContact CZ-CB 4.37Å; F36-W40 VanDerWaalsContact O-CB 3.23Å; F36-W40 WeakPolarHBondContact O-CB 3.33Å; F36-W40 PolarHBondContact O-N 3.26Å; F36-A96 HydrophobicContact CZ-CB 4.29Å; F36-A99 HydrophobicContact CD2-CB 3.81Å; F36-A99 HydrophobicContact CE2-CB 3.71Å; F36-A99 HydrophobicContact CZ-CB 4.47Å |
| 37 | S | 86.8 | Confident | 81 | Confident | 59 Ų | 59 | 60.4 Ų | 60.4 | 41% | 0.413 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.6 | -48.3 | 178.2 | -172.8 | 0 | 0 | 0 | 0 | 111.3 | D35 M39 W40 Y41 | D35-S37 PolarHBondContact O-N 3.23Å; S37-M39 PolarHBondContact O-N 3.49Å; S37-W40 PolarHBondContact O-N 3.22Å; S37-Y41 WeakPolarHBondContact O-CB 3.39Å; S37-Y41 WeakPolarHBondContact O-CD2 3.48Å; S37-Y41 PolarHBondContact O-N 3.34Å; S37-Y41 VanDerWaalsContact OG-CD2 3.3Å; S37-Y41 WeakPolarHBondContact OG-CD2 3.37Å; S37-Y41 WeakPolarHBondContact OG-CE2 3.33Å |
| 38 | E | 86.8 | Confident | 82.2 | Confident | 14 Ų | 14 | 57.3 Ų | 57.3 | 7% | 0.065 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 178.6 | -65.7 | -177.2 | 144 | 0 | 0 | 112.1 | R25 T26 L33 I34 D35 F36 G42 | R25-E38 WeakPolarHBondContact CA-OE1 3.42Å; T26-E38 WeakPolarHBondContact CB-OE1 3.35Å; T26-E38 PolarHBondContact N-OE1 3.38Å; L33-E38 HydrophobicContact CB-CB 4.14Å; L33-E38 HydrophobicContact CD2-CB 4.06Å; I34-E38 PolarHBondContact N-OE2 2.99Å; I34-E38 VanDerWaalsContact N-OE2 3.15Å; D35-E38 HydrophobicContact CB-CB 4.41Å; D35-E38 HydrophobicContact CB-CG 4.01Å; D35-E38 PolarHBondContact N-OE2 3.41Å; D35-E38 PolarHBondContact O-N 3.43Å; D35-E38 VanDerWaalsContact O-N 3.14Å; F36-E38 PolarHBondContact O-N 2.87Å; E38-G42 PolarHBondContact O-N 3.31Å |
| 39 | M | 90.6 | Very high | 83.6 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.1 | -46.3 | 178.4 | -64.7 | -172.4 | -75.4 | 0 | 0 | 111.8 | L33 D35 F36 S37 G42 V43 A99 Y102 K103 M109 | L33-M39 HydrophobicContact CB-CG 3.79Å; D35-M39 WeakPolarHBondContact O-CG 3.49Å; D35-M39 PolarHBondContact O-N 3.17Å; F36-M39 PolarHBondContact O-N 3.39Å; S37-M39 PolarHBondContact O-N 3.49Å; M39-G42 PolarHBondContact O-N 2.87Å; M39-V43 WeakPolarHBondContact O-CG2 3.32Å; M39-V43 PolarHBondContact O-N 2.84Å; M39-V43 VanDerWaalsContact O-N 3.08Å; M39-A99 HydrophobicContact CB-CB 3.75Å; M39-Y102 HydrophobicContact SD-CD1 4.43Å; M39-Y102 HydrophobicContact SD-CG 4.26Å; M39-K103 HydrophobicContact CE-CB 4.17Å; M39-K103 HydrophobicContact CE-CD 4.47Å; M39-M109 VanDerWaalsContact CA-CE 3.44Å; M39-M109 HydrophobicContact CB-CE 3.64Å; M39-M109 HydrophobicContact CB-SD 4.34Å; M39-M109 HydrophobicContact CG-CB 3.85Å; M39-M109 HydrophobicContact CG-CE 3.89Å; M39-M109 WeakPolarHBondContact O-CE 3.35Å; M39-M109 HydrophobicContact SD-CB 3.68Å |
| 40 | W | 90.1 | Very high | 84.9 | Confident | 57 Ų | 57 | 43.1 Ų | 43.1 | 22% | 0.216 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.9 | -51.4 | -180 | 173.1 | 45.4 | 0 | 0 | 0 | 111.7 | F36 S37 G42 V43 F44 V92 S95 A96 A99 | F36-W40 HydrophobicContact CE1-CB 4.31Å; F36-W40 HydrophobicContact CZ-CB 4.37Å; F36-W40 VanDerWaalsContact O-CB 3.23Å; F36-W40 WeakPolarHBondContact O-CB 3.33Å; F36-W40 PolarHBondContact O-N 3.26Å; S37-W40 PolarHBondContact O-N 3.22Å; W40-G42 VanDerWaalsContact C-N 3.3Å; W40-G42 PolarHBondContact O-N 2.9Å; W40-V43 PolarHBondContact O-N 3.43Å; W40-F44 VanDerWaalsContact O-CB 3.27Å; W40-F44 WeakPolarHBondContact O-CB 3.45Å; W40-F44 PolarHBondContact O-N 3.38Å; W40-V92 HydrophobicContact CZ2-CG1 3.86Å; W40-V92 PolarHBondContact NE1-O 2.83Å; W40-S95 VanDerWaalsContact CD1-C 3.44Å; W40-A96 HydrophobicContact CG-CB 4.4Å; W40-A99 HydrophobicContact CB-CB 3.81Å |
| 41 | Y | 87.1 | Confident | 85.9 | Confident | 102 Ų | 102 | 40.3 Ų | 40.3 | 40% | 0.4 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.1 | -38.7 | 177.1 | -80.2 | -63.7 | 0 | 0 | 0 | 111.7 | S37 F44 L45 | S37-Y41 WeakPolarHBondContact O-CB 3.39Å; S37-Y41 WeakPolarHBondContact O-CD2 3.48Å; S37-Y41 PolarHBondContact O-N 3.34Å; S37-Y41 VanDerWaalsContact OG-CD2 3.3Å; S37-Y41 WeakPolarHBondContact OG-CD2 3.37Å; S37-Y41 WeakPolarHBondContact OG-CE2 3.33Å; Y41-F44 PolarHBondContact O-N 3.39Å; Y41-L45 WeakPolarHBondContact O-CB 3.49Å; Y41-L45 PolarHBondContact O-N 2.89Å |
| 42 | G | 87.8 | Confident | 86.6 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59 | -52.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E38 M39 W40 W46 | E38-G42 PolarHBondContact O-N 3.31Å; M39-G42 PolarHBondContact O-N 2.87Å; W40-G42 VanDerWaalsContact C-N 3.3Å; W40-G42 PolarHBondContact O-N 2.9Å; G42-W46 PolarHBondContact O-N 3.37Å |
| 43 | V | 90.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.2 | -43.2 | 179.6 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | M39 W40 S47 S95 I98 M109 A114 F117 G118 Q121 | M39-V43 WeakPolarHBondContact O-CG2 3.32Å; M39-V43 PolarHBondContact O-N 2.84Å; M39-V43 VanDerWaalsContact O-N 3.08Å; W40-V43 PolarHBondContact O-N 3.43Å; V43-S47 WeakPolarHBondContact O-CB 3.17Å; V43-S47 PolarHBondContact O-N 3.32Å; V43-S95 WeakPolarHBondContact CG1-OG 3.44Å; V43-I98 HydrophobicContact CG1-CD1 4.01Å; V43-I98 HydrophobicContact CG2-CG2 4.25Å; V43-M109 HydrophobicContact CG2-CE 3.83Å; V43-M109 HydrophobicContact CG2-SD 3.77Å; V43-A114 HydrophobicContact CG2-CB 4.23Å; V43-F117 HydrophobicContact CG1-CB 3.93Å; V43-F117 HydrophobicContact CG2-CB 4.26Å; V43-G118 WeakPolarHBondContact O-CA 3.45Å; V43-Q121 VanDerWaalsContact CG1-NE2 3.29Å |
| 44 | F | 90.1 | Very high | 87.1 | Confident | 49 Ų | 49 | 47.4 Ų | 47.4 | 22% | 0.215 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.8 | -43.7 | -179.8 | 172.8 | -110.9 | 0 | 0 | 0 | 112.4 | W40 Y41 S47 A48 V88 V92 S95 | W40-F44 VanDerWaalsContact O-CB 3.27Å; W40-F44 WeakPolarHBondContact O-CB 3.45Å; W40-F44 PolarHBondContact O-N 3.38Å; Y41-F44 PolarHBondContact O-N 3.39Å; F44-S47 WeakPolarHBondContact O-CB 3.24Å; F44-S47 PolarHBondContact O-N 3.02Å; F44-A48 PolarHBondContact O-N 3.25Å; F44-V88 HydrophobicContact CE2-CG1 4.34Å; F44-V88 HydrophobicContact CZ-CG1 4.32Å; F44-V92 HydrophobicContact CD2-CB 4.45Å; F44-V92 HydrophobicContact CD2-CG2 3.72Å; F44-V92 HydrophobicContact CE2-CB 4.39Å; F44-V92 HydrophobicContact CE2-CG2 3.33Å; F44-V92 HydrophobicContact CG-CG2 4.48Å; F44-V92 HydrophobicContact CZ-CG2 3.78Å; F44-S95 WeakPolarHBondContact CA-OG 3.4Å; F44-S95 PolarHBondContact N-OG 3.34Å |
| 45 | L | 88.6 | Confident | 87.2 | Confident | 45 Ų | 45 | 45.1 Ų | 45.1 | 24% | 0.236 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.6 | -42.6 | -177.5 | -174.2 | 143.2 | 0 | 0 | 0 | 111.5 | L22 Y41 S47 A48 V49 | L22-L45 HydrophobicContact CB-CD2 3.78Å; L22-L45 HydrophobicContact CD2-CD2 4.04Å; L22-L45 HydrophobicContact CG-CD2 4.39Å; L22-L45 VanDerWaalsContact O-CD1 3.28Å; L22-L45 WeakPolarHBondContact O-CD1 3.49Å; Y41-L45 WeakPolarHBondContact O-CB 3.49Å; Y41-L45 PolarHBondContact O-N 2.89Å; L45-S47 VanDerWaalsContact C-N 3.27Å; L45-S47 PolarHBondContact O-N 3.45Å; L45-A48 PolarHBondContact O-N 3.32Å; L45-V49 HydrophobicContact CD2-CG2 4.12Å; L45-V49 VanDerWaalsContact O-CG2 3.32Å; L45-V49 WeakPolarHBondContact O-CG2 3.32Å; L45-V49 PolarHBondContact O-N 3.48Å |
| 46 | W | 88.7 | Confident | 87.1 | Confident | 29 Ų | 29 | 45.9 Ų | 45.9 | 11% | 0.11 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.9 | -31.9 | 174.6 | -75.3 | 118.2 | 0 | 0 | 0 | 112.6 | F18 L22 G42 S50 F115 | F18-W46 AromaticContact CD1-CH2 3.92Å; F18-W46 HydrophobicContact CD1-CH2 3.92Å; F18-W46 AromaticContact CD1-CZ2 3.82Å; F18-W46 HydrophobicContact CD1-CZ2 3.82Å; F18-W46 HydrophobicContact CE1-CH2 4.2Å; F18-W46 HydrophobicContact CE1-CZ2 4.47Å; L22-W46 HydrophobicContact CD1-CH2 3.98Å; L22-W46 HydrophobicContact CD1-CZ2 4.23Å; G42-W46 PolarHBondContact O-N 3.37Å; W46-S50 WeakPolarHBondContact O-CB 3.23Å; W46-S50 PolarHBondContact O-N 2.89Å; W46-S50 PolarHBondContact O-OG 2.93Å; W46-F115 HydrophobicContact CD2-CB 4.28Å; W46-F115 AromaticContact CD2-CD2 3.77Å; W46-F115 HydrophobicContact CD2-CD2 3.77Å; W46-F115 AromaticContact CE3-CD2 3.64Å; W46-F115 HydrophobicContact CE3-CD2 3.64Å; W46-F115 HydrophobicContact CE3-CE2 4.19Å; W46-F115 HydrophobicContact CG-CB 4.18Å; W46-F115 HydrophobicContact CG-CD2 4.22Å; W46-F115 HydrophobicContact CH2-CD2 4.5Å; W46-F115 HydrophobicContact CZ3-CD2 4.03Å; W46-F115 HydrophobicContact CZ3-CE2 4.34Å |
| 47 | S | 89.7 | Confident | 87 | Confident | 9 Ų | 9 | 45 Ų | 45 | 6% | 0.063 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.5 | -47.5 | 169.3 | -177.6 | 0 | 0 | 0 | 0 | 112.3 | V43 F44 L45 S50 S51 G118 Q121 S122 | V43-S47 WeakPolarHBondContact O-CB 3.17Å; V43-S47 PolarHBondContact O-N 3.32Å; F44-S47 WeakPolarHBondContact O-CB 3.24Å; F44-S47 PolarHBondContact O-N 3.02Å; L45-S47 VanDerWaalsContact C-N 3.27Å; L45-S47 PolarHBondContact O-N 3.45Å; S47-S50 WeakPolarHBondContact CA-OG 3.32Å; S47-S50 PolarHBondContact O-N 3.31Å; S47-S50 PolarHBondContact O-OG 3.11Å; S47-S51 WeakPolarHBondContact O-CB 3.32Å; S47-S51 PolarHBondContact O-N 2.74Å; S47-G118 VanDerWaalsContact CA-O 3.3Å; S47-G118 WeakPolarHBondContact CA-O 3.45Å; S47-Q121 VanDerWaalsContact OG-CD 3.25Å; S47-Q121 WeakPolarHBondContact OG-CG 3.41Å; S47-S122 PolarHBondContact O-OG 2.93Å; S47-S122 PolarHBondContact OG-OG 3.38Å |
| 48 | A | 86.3 | Confident | 86.8 | Confident | 30 Ų | 30 | 44.6 Ų | 44.6 | 25% | 0.248 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.7 | -46 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F44 L45 S50 S51 I52 | F44-A48 PolarHBondContact O-N 3.25Å; L45-A48 PolarHBondContact O-N 3.32Å; A48-S50 PolarHBondContact O-N 2.84Å; A48-S51 PolarHBondContact O-N 3.49Å; A48-I52 WeakPolarHBondContact O-CG1 3.34Å; A48-I52 PolarHBondContact O-N 3.39Å |
| 49 | V | 87 | Confident | 86.6 | Confident | 50 Ų | 50 | 44.3 Ų | 44.3 | 30% | 0.303 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.1 | -47.6 | 178 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | L45 I52 I53 | L45-V49 HydrophobicContact CD2-CG2 4.12Å; L45-V49 VanDerWaalsContact O-CG2 3.32Å; L45-V49 WeakPolarHBondContact O-CG2 3.32Å; L45-V49 PolarHBondContact O-N 3.48Å; V49-I52 PolarHBondContact O-N 3.06Å; V49-I53 HydrophobicContact CG1-CD1 4.1Å; V49-I53 WeakPolarHBondContact O-CG1 3.43Å; V49-I53 PolarHBondContact O-N 3.46Å |
| 50 | S | 87.4 | Confident | 86.3 | Confident | 7 Ų | 7 | 49.1 Ų | 49.1 | 5% | 0.049 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.8 | -40.3 | 178.2 | 53.2 | 0 | 0 | 0 | 0 | 112.6 | W46 S47 A48 I52 I53 F54 S122 | W46-S50 WeakPolarHBondContact O-CB 3.23Å; W46-S50 PolarHBondContact O-N 2.89Å; W46-S50 PolarHBondContact O-OG 2.93Å; S47-S50 WeakPolarHBondContact CA-OG 3.32Å; S47-S50 PolarHBondContact O-N 3.31Å; S47-S50 PolarHBondContact O-OG 3.11Å; A48-S50 PolarHBondContact O-N 2.84Å; S50-I52 PolarHBondContact O-N 3.04Å; S50-I53 WeakPolarHBondContact O-CB 3.26Å; S50-I53 PolarHBondContact O-N 3.47Å; S50-F54 WeakPolarHBondContact O-CD2 3.3Å; S50-F54 PolarHBondContact O-N 2.7Å; S50-F54 VanDerWaalsContact O-N 3.16Å; S50-S122 WeakPolarHBondContact OG-CB 3.21Å; S50-S122 PolarHBondContact OG-OG 3.16Å |
| 51 | S | 84.8 | Confident | 86.1 | Confident | 11 Ų | 11 | 51.8 Ų | 51.8 | 8% | 0.077 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 176.4 | -176.2 | 0 | 0 | 0 | 0 | 112.4 | S47 A48 I53 F54 H55 | S47-S51 WeakPolarHBondContact O-CB 3.32Å; S47-S51 PolarHBondContact O-N 2.74Å; A48-S51 PolarHBondContact O-N 3.49Å; S51-I53 VanDerWaalsContact C-N 3.31Å; S51-I53 PolarHBondContact O-N 2.93Å; S51-F54 PolarHBondContact O-N 3.35Å; S51-H55 PolarHBondContact O-N 3.25Å; S51-H55 PolarHBondContact O-ND1 2.92Å; S51-H55 PolarHBondContact OG-ND1 3.25Å |
| 52 | I | 83.6 | Confident | 86 | Confident | 95 Ų | 95 | 47.8 Ų | 47.8 | 49% | 0.487 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 175.9 | -67.6 | 164.9 | 0 | 0 | 0 | 110.6 | A48 V49 S50 F54 H55 L56 | A48-I52 WeakPolarHBondContact O-CG1 3.34Å; A48-I52 PolarHBondContact O-N 3.39Å; V49-I52 PolarHBondContact O-N 3.06Å; S50-I52 PolarHBondContact O-N 3.04Å; I52-F54 VanDerWaalsContact C-N 3.29Å; I52-F54 PolarHBondContact O-N 3.47Å; I52-H55 PolarHBondContact O-N 2.97Å; I52-L56 WeakPolarHBondContact O-CB 3.38Å; I52-L56 PolarHBondContact O-N 3.18Å |
| 53 | I | 85.9 | Confident | 85.8 | Confident | 110 Ų | 110 | 50.5 Ų | 50.5 | 56% | 0.564 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -60.8 | -38 | 179 | -67.9 | 165.9 | 0 | 0 | 0 | 111.5 | V49 S50 S51 P57 | V49-I53 HydrophobicContact CG1-CD1 4.1Å; V49-I53 WeakPolarHBondContact O-CG1 3.43Å; V49-I53 PolarHBondContact O-N 3.46Å; S50-I53 WeakPolarHBondContact O-CB 3.26Å; S50-I53 PolarHBondContact O-N 3.47Å; S51-I53 VanDerWaalsContact C-N 3.31Å; S51-I53 PolarHBondContact O-N 2.93Å; I53-P57 WeakPolarHBondContact O-CD 3.09Å; I53-P57 WeakPolarHBondContact O-CG 3.41Å |
| 54 | F | 83.6 | Confident | 85.5 | Confident | 83 Ų | 83 | 53.6 Ų | 53.6 | 36% | 0.364 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -75.1 | -39.1 | 177.6 | -68.2 | -61.2 | 0 | 0 | 0 | 113.2 | S50 S51 I52 V126 | S50-F54 WeakPolarHBondContact O-CD2 3.3Å; S50-F54 PolarHBondContact O-N 2.7Å; S50-F54 VanDerWaalsContact O-N 3.16Å; S51-F54 PolarHBondContact O-N 3.35Å; I52-F54 VanDerWaalsContact C-N 3.29Å; I52-F54 PolarHBondContact O-N 3.47Å; F54-V126 HydrophobicContact CB-CG2 4.12Å; F54-V126 HydrophobicContact CD2-CG2 4.08Å; F54-V126 HydrophobicContact CG-CG2 4.06Å |
| 55 | H | 82.2 | Confident | 85.1 | Confident | 37 Ų | 37 | 56 Ų | 56 | 17% | 0.171 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -86.1 | -25 | -174.1 | -67.9 | 88.6 | 0 | 0 | 0 | 113.7 | S51 I52 A58 A59 L80 G83 | S51-H55 PolarHBondContact O-N 3.25Å; S51-H55 PolarHBondContact O-ND1 2.92Å; S51-H55 PolarHBondContact OG-ND1 3.25Å; I52-H55 PolarHBondContact O-N 2.97Å; H55-A58 PolarHBondContact O-N 2.58Å; H55-A59 WeakPolarHBondContact O-CB 3.27Å; H55-A59 PolarHBondContact O-N 3.34Å; H55-L80 HydrophobicContact CB-CD2 4.07Å; H55-G83 PolarHBondContact CE1-O 3.5Å; H55-G83 PolarHBondContact NE2-O 3.27Å |
| 56 | L | 83.8 | Confident | 84.6 | Confident | 93 Ų | 93 | 55.6 Ų | 55.6 | 49% | 0.487 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.2 | -45.7 | -178.7 | -173.7 | 73.8 | 0 | 0 | 0 | 113.1 | I52 A58 A59 L60 | I52-L56 WeakPolarHBondContact O-CB 3.38Å; I52-L56 PolarHBondContact O-N 3.18Å; L56-A58 PolarHBondContact O-N 3.01Å; L56-A59 PolarHBondContact O-N 2.87Å; L56-L60 HydrophobicContact CG-CD1 4.25Å; L56-L60 WeakPolarHBondContact O-CB 3.37Å; L56-L60 WeakPolarHBondContact O-CG 3.38Å; L56-L60 PolarHBondContact O-N 3.43Å |
| 57 | P | 85.6 | Confident | 83.9 | Confident | 66 Ų | 66 | 62.3 Ų | 62.3 | 43% | 0.429 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 174.1 | -22.8 | 34.2 | 0 | 0 | 0 | 112.3 | I53 A59 L60 I61 | I53-P57 WeakPolarHBondContact O-CD 3.09Å; I53-P57 WeakPolarHBondContact O-CG 3.41Å; P57-A59 VanDerWaalsContact C-N 3.33Å; P57-A59 PolarHBondContact O-N 2.92Å; P57-L60 PolarHBondContact O-N 3.38Å; P57-I61 WeakPolarHBondContact O-CB 3.43Å; P57-I61 VanDerWaalsContact O-CG1 3.24Å; P57-I61 WeakPolarHBondContact O-CG1 3.32Å; P57-I61 PolarHBondContact O-N 3.24Å |
| 58 | A | 82.7 | Confident | 83 | Confident | 49 Ų | 49 | 70.3 Ų | 70.3 | 41% | 0.405 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | H55 L56 I61 S62 | H55-A58 PolarHBondContact O-N 2.58Å; L56-A58 PolarHBondContact O-N 3.01Å; A58-I61 PolarHBondContact O-N 3.25Å; A58-S62 WeakPolarHBondContact O-CB 3.45Å; A58-S62 PolarHBondContact O-N 2.87Å |
| 59 | A | 82.6 | Confident | 82.4 | Confident | 8 Ų | 8 | 74.9 Ų | 74.9 | 7% | 0.066 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.3 | -39.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | H55 L56 P57 S62 L63 L80 | H55-A59 WeakPolarHBondContact O-CB 3.27Å; H55-A59 PolarHBondContact O-N 3.34Å; L56-A59 PolarHBondContact O-N 2.87Å; P57-A59 VanDerWaalsContact C-N 3.33Å; P57-A59 PolarHBondContact O-N 2.92Å; A59-S62 PolarHBondContact O-N 3.42Å; A59-L63 VanDerWaalsContact O-CB 3.23Å; A59-L63 WeakPolarHBondContact O-CB 3.3Å; A59-L63 PolarHBondContact O-N 2.9Å; A59-L80 HydrophobicContact CB-CD1 3.73Å; A59-L80 HydrophobicContact CB-CD2 3.69Å; A59-L80 HydrophobicContact CB-CG 3.62Å |
| 60 | L | 85.2 | Confident | 81.6 | Confident | 101 Ų | 101 | 82.3 Ų | 82.3 | 53% | 0.529 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 176 | -76.8 | 170 | 0 | 0 | 0 | 111.9 | L56 P57 L63 A64 | L56-L60 HydrophobicContact CG-CD1 4.25Å; L56-L60 WeakPolarHBondContact O-CB 3.37Å; L56-L60 WeakPolarHBondContact O-CG 3.38Å; L56-L60 PolarHBondContact O-N 3.43Å; P57-L60 PolarHBondContact O-N 3.38Å; L60-L63 PolarHBondContact O-N 2.82Å; L60-A64 WeakPolarHBondContact O-CB 3.06Å; L60-A64 PolarHBondContact O-N 3.16Å |
| 61 | I | 86.4 | Confident | 80.4 | Confident | 114 Ų | 114 | 89.8 Ų | 89.8 | 59% | 0.585 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.9 | -47.1 | 176.1 | -67 | 164.5 | 0 | 0 | 0 | 109.8 | P57 A58 L63 A64 T65 | P57-I61 WeakPolarHBondContact O-CB 3.43Å; P57-I61 VanDerWaalsContact O-CG1 3.24Å; P57-I61 WeakPolarHBondContact O-CG1 3.32Å; P57-I61 PolarHBondContact O-N 3.24Å; A58-I61 PolarHBondContact O-N 3.25Å; I61-L63 VanDerWaalsContact C-N 3.31Å; I61-L63 PolarHBondContact O-N 3.24Å; I61-A64 PolarHBondContact O-N 3.19Å; I61-T65 PolarHBondContact O-N 3.19Å; I61-T65 PolarHBondContact O-OG1 3.04Å |
| 62 | S | 84.9 | Confident | 79.6 | Confident | 18 Ų | 18 | 90.4 Ų | 90.4 | 13% | 0.126 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -58.5 | -44 | 175.9 | -174.8 | 0 | 0 | 0 | 0 | 111.4 | A58 A59 T65 L66 | A58-S62 WeakPolarHBondContact O-CB 3.45Å; A58-S62 PolarHBondContact O-N 2.87Å; A59-S62 PolarHBondContact O-N 3.42Å; S62-T65 PolarHBondContact O-N 3.49Å; S62-L66 VanDerWaalsContact O-CB 3.31Å; S62-L66 WeakPolarHBondContact O-CB 3.49Å; S62-L66 WeakPolarHBondContact O-CD1 3.36Å; S62-L66 PolarHBondContact O-N 3.36Å |
| 63 | L | 82.9 | Confident | 79.1 | Confident | 57 Ų | 57 | 93.7 Ų | 93.7 | 30% | 0.298 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 178.3 | -171.9 | 68 | 0 | 0 | 0 | 111.7 | A59 L60 I61 T65 R67 P76 | A59-L63 VanDerWaalsContact O-CB 3.23Å; A59-L63 WeakPolarHBondContact O-CB 3.3Å; A59-L63 PolarHBondContact O-N 2.9Å; L60-L63 PolarHBondContact O-N 2.82Å; I61-L63 VanDerWaalsContact C-N 3.31Å; I61-L63 PolarHBondContact O-N 3.24Å; L63-T65 VanDerWaalsContact C-N 3.33Å; L63-T65 PolarHBondContact O-N 3.43Å; L63-R67 HydrophobicContact CD1-CG 4.36Å; L63-R67 HydrophobicContact CG-CG 4.27Å; L63-R67 VanDerWaalsContact O-CB 3.26Å; L63-R67 WeakPolarHBondContact O-CB 3.12Å; L63-R67 VanDerWaalsContact O-CD 3.31Å; L63-R67 WeakPolarHBondContact O-CD 3.42Å; L63-R67 WeakPolarHBondContact O-CG 2.97Å; L63-R67 PolarHBondContact O-N 3.32Å; L63-P76 HydrophobicContact CB-CB 4.44Å; L63-P76 HydrophobicContact CB-CG 4.19Å; L63-P76 HydrophobicContact CD1-CG 4.13Å |
| 64 | A | 83.4 | Confident | 78.6 | Confident | 64 Ų | 64 | 94.9 Ų | 94.9 | 53% | 0.529 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59 | -44.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L60 I61 | L60-A64 WeakPolarHBondContact O-CB 3.06Å; L60-A64 PolarHBondContact O-N 3.16Å; I61-A64 PolarHBondContact O-N 3.19Å |
| 65 | T | 82.8 | Confident | 78.4 | Confident | 99 Ų | 99 | 93.7 Ų | 93.7 | 61% | 0.607 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -72.8 | -39.4 | -178.8 | -54.8 | 0 | 0 | 0 | 0 | 112.8 | I61 S62 L63 | I61-T65 PolarHBondContact O-N 3.19Å; I61-T65 PolarHBondContact O-OG1 3.04Å; S62-T65 PolarHBondContact O-N 3.49Å; L63-T65 VanDerWaalsContact C-N 3.33Å; L63-T65 PolarHBondContact O-N 3.43Å |
| 66 | L | 77.6 | Confident | 78.3 | Confident | 37 Ų | 37 | 92.3 Ų | 92.3 | 19% | 0.194 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -94.3 | -4.7 | -172.6 | -79.8 | 67.1 | 0 | 0 | 0 | 113.9 | S62 Q68 H69 A72 T75 | S62-L66 VanDerWaalsContact O-CB 3.31Å; S62-L66 WeakPolarHBondContact O-CB 3.49Å; S62-L66 WeakPolarHBondContact O-CD1 3.36Å; S62-L66 PolarHBondContact O-N 3.36Å; L66-Q68 PolarHBondContact O-N 3.27Å; L66-H69 PolarHBondContact O-N 2.91Å; L66-A72 HydrophobicContact CB-CB 4.14Å; L66-A72 HydrophobicContact CD2-CB 3.67Å; L66-A72 WeakPolarHBondContact CD2-O 3.48Å; L66-A72 HydrophobicContact CG-CB 3.88Å; L66-T75 HydrophobicContact CD2-CG2 3.94Å |
| 67 | R | 73.1 | Confident | 78 | Confident | 170 Ų | 170 | 92.2 Ų | 92.2 | 64% | 0.642 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -25.7 | 179.1 | -99.8 | 164.5 | -174.4 | -166.4 | 5.5 | 114.5 | L63 | L63-R67 HydrophobicContact CD1-CG 4.36Å; L63-R67 HydrophobicContact CG-CG 4.27Å; L63-R67 VanDerWaalsContact O-CB 3.26Å; L63-R67 WeakPolarHBondContact O-CB 3.12Å; L63-R67 VanDerWaalsContact O-CD 3.31Å; L63-R67 WeakPolarHBondContact O-CD 3.42Å; L63-R67 WeakPolarHBondContact O-CG 2.97Å; L63-R67 PolarHBondContact O-N 3.32Å |
| 68 | Q | 71.3 | Confident | 77.7 | Confident | 178 Ų | 178 | 91.8 Ų | 91.8 | 83% | 0.832 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -12.1 | -178.4 | -63 | -79 | -39 | 0 | 0 | 113.4 | L66 | L66-Q68 PolarHBondContact O-N 3.27Š|
| 69 | H | 74 | Confident | 77.4 | Confident | 125 Ų | 125 | 93.1 Ų | 93.1 | 58% | 0.579 | 47% | 0.47 | S | S | * | . | trans | -107 | 124.5 | -173.3 | -77.8 | -76.5 | 0 | 0 | 0 | 113.3 | L66 I71 A72 R73 | L66-H69 PolarHBondContact O-N 2.91Å; H69-I71 VanDerWaalsContact C-N 3.27Å; H69-I71 PolarHBondContact O-N 2.93Å; H69-A72 HydrophobicContact CB-CB 3.71Å; H69-A72 PolarHBondContact O-N 2.82Å; H69-R73 PolarHBondContact O-N 3.41Å | ||
| 70 | K | 69.3 | Low | 77.1 | Confident | 207 Ų | 207 | 95.2 Ų | 95.2 | 90% | 0.9 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -29.6 | -176.5 | -149.2 | -178.9 | -173 | -170.8 | 0 | 114.3 | ||
| 71 | I | 64 | Low | 76.8 | Confident | 163 Ų | 163 | 95 Ų | 95 | 84% | 0.836 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -33.3 | -178.9 | -71.6 | 156.3 | 0 | 0 | 0 | 112 | H69 R73 | H69-I71 VanDerWaalsContact C-N 3.27Å; H69-I71 PolarHBondContact O-N 2.93Å; I71-R73 VanDerWaalsContact C-N 3.33Å; I71-R73 PolarHBondContact O-N 3.29Å |
| 72 | A | 67.8 | Low | 76.4 | Confident | 24 Ų | 24 | 97.1 Ų | 97.1 | 20% | 0.198 | 49% | 0.488 | C | S | . | . | G | 310 helix | trans | -84.5 | -4.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L66 H69 F74 T75 | L66-A72 HydrophobicContact CB-CB 4.14Å; L66-A72 HydrophobicContact CD2-CB 3.67Å; L66-A72 WeakPolarHBondContact CD2-O 3.48Å; L66-A72 HydrophobicContact CG-CB 3.88Å; H69-A72 HydrophobicContact CB-CB 3.71Å; H69-A72 PolarHBondContact O-N 2.82Å; A72-F74 PolarHBondContact O-N 3.49Å; A72-T75 WeakPolarHBondContact O-CB 3.29Å; A72-T75 PolarHBondContact O-N 2.8Å; A72-T75 VanDerWaalsContact O-N 3.1Å; A72-T75 PolarHBondContact O-OG1 2.92Å; A72-T75 VanDerWaalsContact O-OG1 3.14Å |
| 73 | R | 71.2 | Confident | 75.7 | Confident | 164 Ų | 164 | 96.9 Ų | 96.9 | 62% | 0.619 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -49.6 | -33.8 | 177.8 | 161.7 | 175.2 | -86.2 | -168.7 | -4.9 | 114.1 | H69 I71 P76 | H69-R73 PolarHBondContact O-N 3.41Å; I71-R73 VanDerWaalsContact C-N 3.33Å; I71-R73 PolarHBondContact O-N 3.29Å; R73-P76 WeakPolarHBondContact O-CD 3.33Å |
| 74 | F | 76.1 | Confident | 75.3 | Confident | 136 Ų | 136 | 97 Ų | 97 | 60% | 0.596 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -92.9 | -7.7 | -174.9 | -60.2 | -73.8 | 0 | 0 | 0 | 114.1 | A72 P76 I77 A78 | A72-F74 PolarHBondContact O-N 3.49Å; F74-P76 VanDerWaalsContact C-CD 3.45Å; F74-I77 HydrophobicContact CD1-CD1 3.99Å; F74-I77 WeakPolarHBondContact O-CB 3.4Å; F74-I77 PolarHBondContact O-N 3.45Å; F74-I77 VanDerWaalsContact O-N 3.13Å; F74-A78 PolarHBondContact O-N 3.32Å; F74-A78 VanDerWaalsContact O-N 3.12Å |
| 75 | T | 80.3 | Confident | 75.1 | Confident | 58 Ų | 58 | 99 Ų | 99 | 36% | 0.356 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.1 | -40.2 | 179 | -50.4 | 0 | 0 | 0 | 0 | 113.8 | L66 A72 I77 A78 I79 | L66-T75 HydrophobicContact CD2-CG2 3.94Å; A72-T75 WeakPolarHBondContact O-CB 3.29Å; A72-T75 PolarHBondContact O-N 2.8Å; A72-T75 VanDerWaalsContact O-N 3.1Å; A72-T75 PolarHBondContact O-OG1 2.92Å; A72-T75 VanDerWaalsContact O-OG1 3.14Å; T75-I77 VanDerWaalsContact C-N 3.25Å; T75-I77 PolarHBondContact O-N 3.35Å; T75-A78 PolarHBondContact O-N 3.28Å; T75-I79 HydrophobicContact CG2-CD1 3.97Å; T75-I79 HydrophobicContact CG2-CG1 4.43Å; T75-I79 WeakPolarHBondContact O-CG1 3.15Å; T75-I79 PolarHBondContact O-N 3.45Å |
| 76 | P | 78.7 | Confident | 74.8 | Confident | 7 Ų | 7 | 96.6 Ų | 96.6 | 5% | 0.045 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -61.2 | -34.2 | 175.7 | -18.7 | 29.1 | 0 | 0 | 0 | 112.8 | L63 R73 F74 L80 | L63-P76 HydrophobicContact CB-CB 4.44Å; L63-P76 HydrophobicContact CB-CG 4.19Å; L63-P76 HydrophobicContact CD1-CG 4.13Å; R73-P76 WeakPolarHBondContact O-CD 3.33Å; F74-P76 VanDerWaalsContact C-CD 3.45Å; P76-L80 WeakPolarHBondContact O-CB 3.25Å; P76-L80 WeakPolarHBondContact O-CG 3.39Å; P76-L80 PolarHBondContact O-N 3.31Å |
| 77 | I | 79.3 | Confident | 74.7 | Confident | 92 Ų | 92 | 96.3 Ų | 96.3 | 47% | 0.472 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.7 | -42.4 | 177.3 | -65 | 161 | 0 | 0 | 0 | 110 | F74 T75 L80 L81 | F74-I77 HydrophobicContact CD1-CD1 3.99Å; F74-I77 WeakPolarHBondContact O-CB 3.4Å; F74-I77 PolarHBondContact O-N 3.45Å; F74-I77 VanDerWaalsContact O-N 3.13Å; T75-I77 VanDerWaalsContact C-N 3.25Å; T75-I77 PolarHBondContact O-N 3.35Å; I77-L80 PolarHBondContact O-N 3.26Å; I77-L81 HydrophobicContact CG2-CD1 3.99Å; I77-L81 HydrophobicContact CG2-CG 4.49Å; I77-L81 WeakPolarHBondContact O-CB 3.28Å; I77-L81 WeakPolarHBondContact O-CG 3.3Å; I77-L81 PolarHBondContact O-N 2.87Å |
| 78 | A | 78.5 | Confident | 75.1 | Confident | 57 Ų | 57 | 90.6 Ų | 90.6 | 47% | 0.471 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.5 | -40.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F74 T75 L81 M82 | F74-A78 PolarHBondContact O-N 3.32Å; F74-A78 VanDerWaalsContact O-N 3.12Å; T75-A78 PolarHBondContact O-N 3.28Å; A78-L81 PolarHBondContact O-N 2.94Å; A78-M82 WeakPolarHBondContact O-CB 3.36Å; A78-M82 PolarHBondContact O-N 3.4Å |
| 79 | I | 76.7 | Confident | 75.8 | Confident | 76 Ų | 76 | 86.4 Ų | 86.4 | 39% | 0.39 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 175.6 | -67.8 | 167.1 | 0 | 0 | 0 | 110.8 | T75 G83 | T75-I79 HydrophobicContact CG2-CD1 3.97Å; T75-I79 HydrophobicContact CG2-CG1 4.43Å; T75-I79 WeakPolarHBondContact O-CG1 3.15Å; T75-I79 PolarHBondContact O-N 3.45Å; I79-G83 PolarHBondContact O-N 2.88Å |
| 80 | L | 75.9 | Confident | 76.3 | Confident | 53 Ų | 53 | 82.1 Ų | 82.1 | 28% | 0.277 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.4 | -47.3 | 174.3 | -80 | 174.5 | 0 | 0 | 0 | 111.8 | H55 A59 P76 I77 M82 G83 I84 | H55-L80 HydrophobicContact CB-CD2 4.07Å; A59-L80 HydrophobicContact CB-CD1 3.73Å; A59-L80 HydrophobicContact CB-CD2 3.69Å; A59-L80 HydrophobicContact CB-CG 3.62Å; P76-L80 WeakPolarHBondContact O-CB 3.25Å; P76-L80 WeakPolarHBondContact O-CG 3.39Å; P76-L80 PolarHBondContact O-N 3.31Å; I77-L80 PolarHBondContact O-N 3.26Å; L80-M82 PolarHBondContact O-N 3.14Å; L80-G83 PolarHBondContact O-N 2.98Å; L80-I84 HydrophobicContact CB-CD1 4.32Å; L80-I84 HydrophobicContact CD2-CD1 4.18Å; L80-I84 WeakPolarHBondContact O-CB 3.11Å; L80-I84 WeakPolarHBondContact O-CD1 3.48Å; L80-I84 WeakPolarHBondContact O-CG1 3.43Å; L80-I84 PolarHBondContact O-N 2.93Å |
| 81 | L | 78.8 | Confident | 77.1 | Confident | 95 Ų | 95 | 72.3 Ų | 72.3 | 50% | 0.497 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 179.7 | -78.9 | 168.9 | 0 | 0 | 0 | 111.8 | I77 A78 I84 L85 | I77-L81 HydrophobicContact CG2-CD1 3.99Å; I77-L81 HydrophobicContact CG2-CG 4.49Å; I77-L81 WeakPolarHBondContact O-CB 3.28Å; I77-L81 WeakPolarHBondContact O-CG 3.3Å; I77-L81 PolarHBondContact O-N 2.87Å; A78-L81 PolarHBondContact O-N 2.94Å; L81-I84 PolarHBondContact O-N 3.42Å; L81-L85 HydrophobicContact CB-CD1 4.44Å; L81-L85 HydrophobicContact CD2-CD1 4.39Å; L81-L85 VanDerWaalsContact O-CB 3.3Å; L81-L85 WeakPolarHBondContact O-CB 3.41Å; L81-L85 WeakPolarHBondContact O-CG 3.44Å; L81-L85 PolarHBondContact O-N 3.35Å |
| 82 | M | 77.5 | Confident | 78.4 | Confident | 159 Ų | 159 | 67 Ų | 67 | 78% | 0.783 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -66.2 | -42.3 | 178.8 | -165.3 | -157.9 | 175 | 0 | 0 | 111.7 | A78 L80 I84 | A78-M82 WeakPolarHBondContact O-CB 3.36Å; A78-M82 PolarHBondContact O-N 3.4Å; L80-M82 PolarHBondContact O-N 3.14Å; M82-I84 VanDerWaalsContact C-N 3.27Å; M82-I84 PolarHBondContact O-N 3.38Å |
| 83 | G | 70.7 | Confident | 79.6 | Confident | 14 Ų | 14 | 71.9 Ų | 71.9 | 14% | 0.144 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -72.8 | -14.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | H55 I79 L80 P87 | H55-G83 PolarHBondContact CE1-O 3.5Å; H55-G83 PolarHBondContact NE2-O 3.27Å; I79-G83 PolarHBondContact O-N 2.88Å; L80-G83 PolarHBondContact O-N 2.98Å; G83-P87 WeakPolarHBondContact O-CD 3.4Å; G83-P87 WeakPolarHBondContact O-CG 3.23Å |
| 84 | I | 73.7 | Confident | 80.6 | Confident | 58 Ų | 58 | 67.1 Ų | 67.1 | 30% | 0.297 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -103.7 | -45.8 | 179.1 | -66.1 | 168.6 | 0 | 0 | 0 | 111.1 | L80 L81 M82 G86 P87 V88 | L80-I84 HydrophobicContact CB-CD1 4.32Å; L80-I84 HydrophobicContact CD2-CD1 4.18Å; L80-I84 WeakPolarHBondContact O-CB 3.11Å; L80-I84 WeakPolarHBondContact O-CD1 3.48Å; L80-I84 WeakPolarHBondContact O-CG1 3.43Å; L80-I84 PolarHBondContact O-N 2.93Å; L81-I84 PolarHBondContact O-N 3.42Å; M82-I84 VanDerWaalsContact C-N 3.27Å; M82-I84 PolarHBondContact O-N 3.38Å; I84-G86 PolarHBondContact O-N 2.86Å; I84-P87 WeakPolarHBondContact O-CD 3.36Å; I84-V88 HydrophobicContact CG2-CG2 3.61Å; I84-V88 WeakPolarHBondContact O-CB 3.11Å; I84-V88 WeakPolarHBondContact O-CG2 3.32Å; I84-V88 PolarHBondContact O-N 3.42Å |
| 85 | L | 79.1 | Confident | 81.4 | Confident | 106 Ų | 106 | 60.7 Ų | 60.7 | 56% | 0.555 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.2 | -48.1 | -171.1 | -73.1 | 170.3 | 0 | 0 | 0 | 113.5 | L81 V88 C89 | L81-L85 HydrophobicContact CB-CD1 4.44Å; L81-L85 HydrophobicContact CD2-CD1 4.39Å; L81-L85 VanDerWaalsContact O-CB 3.3Å; L81-L85 WeakPolarHBondContact O-CB 3.41Å; L81-L85 WeakPolarHBondContact O-CG 3.44Å; L81-L85 PolarHBondContact O-N 3.35Å; L85-V88 PolarHBondContact O-N 2.85Å; L85-C89 PolarHBondContact O-N 3.47Å; L85-C89 PolarHBondContact O-SG 2.96Å |
| 86 | G | 77.6 | Confident | 82 | Confident | 50 Ų | 50 | 59.1 Ų | 59.1 | 52% | 0.515 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.2 | -52.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I84 V88 C89 G90 | I84-G86 PolarHBondContact O-N 2.86Å; G86-V88 VanDerWaalsContact C-N 3.31Å; G86-V88 PolarHBondContact O-N 2.9Å; G86-C89 PolarHBondContact O-N 2.86Å; G86-G90 PolarHBondContact O-N 3.42Å |
| 87 | P | 75.8 | Confident | 82.8 | Confident | 31 Ų | 31 | 61.7 Ų | 61.7 | 20% | 0.201 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.8 | -28 | 177.2 | -30.2 | 42.2 | 0 | 0 | 0 | 114.6 | G83 I84 G91 V125 | G83-P87 WeakPolarHBondContact O-CD 3.4Å; G83-P87 WeakPolarHBondContact O-CG 3.23Å; I84-P87 WeakPolarHBondContact O-CD 3.36Å; P87-G91 VanDerWaalsContact O-CA 3.23Å; P87-G91 WeakPolarHBondContact O-CA 3.42Å; P87-G91 PolarHBondContact O-N 3.04Å; P87-V125 HydrophobicContact CB-CG1 4.3Å; P87-V125 HydrophobicContact CG-CG1 3.87Å |
| 88 | V | 80.7 | Confident | 83.5 | Confident | 50 Ų | 50 | 59 Ų | 59 | 30% | 0.303 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -70.8 | -49 | 174.1 | 165.7 | 0 | 0 | 0 | 0 | 110.7 | F44 I84 L85 G86 G91 V92 | F44-V88 HydrophobicContact CE2-CG1 4.34Å; F44-V88 HydrophobicContact CZ-CG1 4.32Å; I84-V88 HydrophobicContact CG2-CG2 3.61Å; I84-V88 WeakPolarHBondContact O-CB 3.11Å; I84-V88 WeakPolarHBondContact O-CG2 3.32Å; I84-V88 PolarHBondContact O-N 3.42Å; L85-V88 PolarHBondContact O-N 2.85Å; G86-V88 VanDerWaalsContact C-N 3.31Å; G86-V88 PolarHBondContact O-N 2.9Å; V88-G91 PolarHBondContact O-N 3.21Å; V88-V92 WeakPolarHBondContact O-CB 3.35Å; V88-V92 VanDerWaalsContact O-CG2 3.32Å; V88-V92 WeakPolarHBondContact O-CG2 3.29Å; V88-V92 PolarHBondContact O-N 2.85Å |
| 89 | C | 85.5 | Confident | 84.2 | Confident | 90 Ų | 90 | 56.2 Ų | 56.2 | 61% | 0.608 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.7 | -46 | 177.7 | -70.1 | 0 | 0 | 0 | 0 | 111.7 | L85 G86 L93 | L85-C89 PolarHBondContact O-N 3.47Å; L85-C89 PolarHBondContact O-SG 2.96Å; G86-C89 PolarHBondContact O-N 2.86Å; C89-L93 PolarHBondContact O-N 3.32Å |
| 90 | G | 85.1 | Confident | 84.9 | Confident | 34 Ų | 34 | 53.9 Ų | 53.9 | 35% | 0.351 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.3 | -47.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G86 V92 L93 T94 | G86-G90 PolarHBondContact O-N 3.42Å; G90-V92 PolarHBondContact O-N 3.05Å; G90-L93 PolarHBondContact O-N 3.22Å; G90-L93 VanDerWaalsContact O-N 3.11Å; G90-T94 WeakPolarHBondContact O-CG2 3.44Å; G90-T94 PolarHBondContact O-N 3.43Å; G90-T94 PolarHBondContact O-OG1 3.08Å |
| 91 | G | 86.8 | Confident | 85.9 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.8 | -37.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | P87 V88 T94 S95 | P87-G91 VanDerWaalsContact O-CA 3.23Å; P87-G91 WeakPolarHBondContact O-CA 3.42Å; P87-G91 PolarHBondContact O-N 3.04Å; V88-G91 PolarHBondContact O-N 3.21Å; G91-T94 WeakPolarHBondContact CA-OG1 3.18Å; G91-T94 PolarHBondContact O-OG1 3.22Å; G91-S95 WeakPolarHBondContact O-CB 3.38Å; G91-S95 PolarHBondContact O-N 2.74Å; G91-S95 PolarHBondContact O-OG 3.24Å |
| 92 | V | 91.4 | Very high | 86.5 | Confident | 50 Ų | 50 | 53 Ų | 53 | 30% | 0.303 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.3 | -49.3 | 171.9 | 160.8 | 0 | 0 | 0 | 0 | 110.4 | W40 F44 V88 G90 A96 | W40-V92 HydrophobicContact CZ2-CG1 3.86Å; W40-V92 PolarHBondContact NE1-O 2.83Å; F44-V92 HydrophobicContact CD2-CB 4.45Å; F44-V92 HydrophobicContact CD2-CG2 3.72Å; F44-V92 HydrophobicContact CE2-CB 4.39Å; F44-V92 HydrophobicContact CE2-CG2 3.33Å; F44-V92 HydrophobicContact CG-CG2 4.48Å; F44-V92 HydrophobicContact CZ-CG2 3.78Å; V88-V92 WeakPolarHBondContact O-CB 3.35Å; V88-V92 VanDerWaalsContact O-CG2 3.32Å; V88-V92 WeakPolarHBondContact O-CG2 3.29Å; V88-V92 PolarHBondContact O-N 2.85Å; G90-V92 PolarHBondContact O-N 3.05Å; V92-A96 WeakPolarHBondContact O-CB 3.39Å; V92-A96 PolarHBondContact O-N 2.94Å |
| 93 | L | 92.3 | Very high | 87.2 | Confident | 128 Ų | 128 | 50.7 Ų | 50.7 | 67% | 0.67 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -71 | -45.4 | -174.9 | -173.8 | 65.7 | 0 | 0 | 0 | 112.2 | C89 G90 S95 A96 A97 | C89-L93 PolarHBondContact O-N 3.32Å; G90-L93 PolarHBondContact O-N 3.22Å; G90-L93 VanDerWaalsContact O-N 3.11Å; L93-S95 VanDerWaalsContact C-N 3.35Å; L93-A96 PolarHBondContact O-N 2.98Å; L93-A97 PolarHBondContact O-N 3.21Å |
| 94 | T | 92.2 | Very high | 88.2 | Confident | 64 Ų | 64 | 54.4 Ų | 54.4 | 39% | 0.393 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65 | -39.8 | 177.7 | 49.9 | 0 | 0 | 0 | 0 | 111.4 | G90 G91 A96 A97 I98 Q121 | G90-T94 WeakPolarHBondContact O-CG2 3.44Å; G90-T94 PolarHBondContact O-N 3.43Å; G90-T94 PolarHBondContact O-OG1 3.08Å; G91-T94 WeakPolarHBondContact CA-OG1 3.18Å; G91-T94 PolarHBondContact O-OG1 3.22Å; T94-A96 VanDerWaalsContact C-N 3.31Å; T94-A96 PolarHBondContact O-N 3.08Å; T94-A97 WeakPolarHBondContact O-CB 3.47Å; T94-A97 PolarHBondContact O-N 3.05Å; T94-I98 VanDerWaalsContact O-CG1 3.29Å; T94-I98 WeakPolarHBondContact O-CG1 3.44Å; T94-I98 PolarHBondContact O-N 2.91Å; T94-Q121 PolarHBondContact OG1-OE1 2.81Å |
| 95 | S | 92.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.3 | -39 | 175.1 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | W40 V43 F44 G91 L93 A97 I98 A99 Q121 | W40-S95 VanDerWaalsContact CD1-C 3.44Å; V43-S95 WeakPolarHBondContact CG1-OG 3.44Å; F44-S95 WeakPolarHBondContact CA-OG 3.4Å; F44-S95 PolarHBondContact N-OG 3.34Å; G91-S95 WeakPolarHBondContact O-CB 3.38Å; G91-S95 PolarHBondContact O-N 2.74Å; G91-S95 PolarHBondContact O-OG 3.24Å; L93-S95 VanDerWaalsContact C-N 3.35Å; S95-A97 VanDerWaalsContact C-N 3.34Å; S95-I98 PolarHBondContact O-N 2.82Å; S95-A99 WeakPolarHBondContact O-CB 3.42Å; S95-A99 PolarHBondContact O-N 2.91Å; S95-Q121 PolarHBondContact OG-NE2 3.43Å |
| 96 | A | 93.6 | Very high | 89.5 | Confident | 26 Ų | 26 | 52.9 Ų | 52.9 | 22% | 0.215 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.5 | -39.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | F36 W40 V92 L93 T94 G100 | F36-A96 HydrophobicContact CZ-CB 4.29Å; W40-A96 HydrophobicContact CG-CB 4.4Å; V92-A96 WeakPolarHBondContact O-CB 3.39Å; V92-A96 PolarHBondContact O-N 2.94Å; L93-A96 PolarHBondContact O-N 2.98Å; T94-A96 VanDerWaalsContact C-N 3.31Å; T94-A96 PolarHBondContact O-N 3.08Å; A96-G100 PolarHBondContact O-N 3.39Å |
| 97 | A | 95.3 | Very high | 90 | Very high | 60 Ų | 60 | 57.1 Ų | 57.1 | 50% | 0.496 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L93 T94 S95 G100 V101 | L93-A97 PolarHBondContact O-N 3.21Å; T94-A97 WeakPolarHBondContact O-CB 3.47Å; T94-A97 PolarHBondContact O-N 3.05Å; S95-A97 VanDerWaalsContact C-N 3.34Å; A97-G100 PolarHBondContact O-N 3.14Å; A97-V101 WeakPolarHBondContact O-CG2 3.43Å; A97-V101 PolarHBondContact O-N 3.02Å |
| 98 | I | 93.7 | Very high | 90.5 | Very high | 35 Ų | 35 | 58.7 Ų | 58.7 | 18% | 0.179 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.5 | -51.2 | 177.2 | -67.4 | 163.2 | 0 | 0 | 0 | 110.5 | V43 T94 S95 G100 V101 Y102 F117 | V43-I98 HydrophobicContact CG1-CD1 4.01Å; V43-I98 HydrophobicContact CG2-CG2 4.25Å; T94-I98 VanDerWaalsContact O-CG1 3.29Å; T94-I98 WeakPolarHBondContact O-CG1 3.44Å; T94-I98 PolarHBondContact O-N 2.91Å; S95-I98 PolarHBondContact O-N 2.82Å; I98-G100 VanDerWaalsContact C-N 3.26Å; I98-G100 PolarHBondContact O-N 2.64Å; I98-V101 PolarHBondContact O-N 3.32Å; I98-Y102 HydrophobicContact CG2-CD2 4.24Å; I98-Y102 HydrophobicContact CG2-CE2 4.31Å; I98-Y102 WeakPolarHBondContact O-CD2 3.33Å; I98-Y102 PolarHBondContact O-N 3.44Å; I98-Y102 VanDerWaalsContact O-N 3.08Å; I98-F117 HydrophobicContact CD1-CB 4.13Å; I98-F117 HydrophobicContact CD1-CD1 4.15Å; I98-F117 HydrophobicContact CD1-CG 4.27Å; I98-F117 HydrophobicContact CG2-CD2 4.09Å; I98-F117 HydrophobicContact CG2-CE2 4.43Å; I98-F117 HydrophobicContact CG2-CG 4.19Å |
| 99 | A | 93.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.5 | -37 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F36 M39 W40 S95 Y102 K103 | F36-A99 HydrophobicContact CD2-CB 3.81Å; F36-A99 HydrophobicContact CE2-CB 3.71Å; F36-A99 HydrophobicContact CZ-CB 4.47Å; M39-A99 HydrophobicContact CB-CB 3.75Å; W40-A99 HydrophobicContact CB-CB 3.81Å; S95-A99 WeakPolarHBondContact O-CB 3.42Å; S95-A99 PolarHBondContact O-N 2.91Å; A99-Y102 PolarHBondContact O-N 2.82Å; A99-K103 WeakPolarHBondContact O-CB 3.14Å; A99-K103 PolarHBondContact O-N 2.77Å |
| 100 | G | 92.3 | Very high | 90.7 | Very high | 26 Ų | 26 | 54.6 Ų | 54.6 | 27% | 0.268 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A96 A97 I98 K103 A104 | A96-G100 PolarHBondContact O-N 3.39Å; A97-G100 PolarHBondContact O-N 3.14Å; I98-G100 VanDerWaalsContact C-N 3.26Å; I98-G100 PolarHBondContact O-N 2.64Å; G100-K103 PolarHBondContact O-N 3.37Å; G100-A104 VanDerWaalsContact O-CB 3.29Å; G100-A104 WeakPolarHBondContact O-CB 3.39Å; G100-A104 PolarHBondContact O-N 3.15Å |
| 101 | V | 95.1 | Very high | 90.6 | Very high | 100 Ų | 100 | 53.4 Ų | 53.4 | 61% | 0.606 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -62.9 | -45.1 | 175.5 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | A97 I98 K103 A104 A105 | A97-V101 WeakPolarHBondContact O-CG2 3.43Å; A97-V101 PolarHBondContact O-N 3.02Å; I98-V101 PolarHBondContact O-N 3.32Å; V101-K103 VanDerWaalsContact C-N 3.33Å; V101-K103 PolarHBondContact O-N 2.88Å; V101-A104 PolarHBondContact O-N 3.39Å; V101-A105 VanDerWaalsContact O-CB 3.25Å; V101-A105 WeakPolarHBondContact O-CB 3.25Å; V101-A105 PolarHBondContact O-N 3.11Å |
| 102 | Y | 92.5 | Very high | 90.4 | Very high | 31 Ų | 31 | 57.7 Ų | 57.7 | 12% | 0.122 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 175.5 | -92.1 | -100 | 0 | 0 | 0 | 111.6 | M39 I98 A99 A105 G106 K107 M109 E113 F117 | M39-Y102 HydrophobicContact SD-CD1 4.43Å; M39-Y102 HydrophobicContact SD-CG 4.26Å; I98-Y102 HydrophobicContact CG2-CD2 4.24Å; I98-Y102 HydrophobicContact CG2-CE2 4.31Å; I98-Y102 WeakPolarHBondContact O-CD2 3.33Å; I98-Y102 PolarHBondContact O-N 3.44Å; I98-Y102 VanDerWaalsContact O-N 3.08Å; A99-Y102 PolarHBondContact O-N 2.82Å; Y102-A105 PolarHBondContact O-N 3.5Å; Y102-G106 PolarHBondContact O-N 3.11Å; Y102-K107 HydrophobicContact CD1-CB 3.96Å; Y102-K107 HydrophobicContact CE1-CB 4.47Å; Y102-K107 PolarHBondContact O-N 3.14Å; Y102-M109 HydrophobicContact CD1-CB 3.68Å; Y102-M109 HydrophobicContact CD1-CG 4.18Å; Y102-M109 HydrophobicContact CE1-CB 3.72Å; Y102-M109 HydrophobicContact CE1-CG 3.83Å; Y102-M109 HydrophobicContact CE2-CG 4.39Å; Y102-M109 HydrophobicContact CE2-SD 4.45Å; Y102-M109 HydrophobicContact CG-CB 4.25Å; Y102-E113 PolarHBondContact OH-OE1 3.27Å; Y102-E113 PolarHBondContact OH-OE2 3.33Å; Y102-F117 AromaticContact CE2-CE2 3.87Å; Y102-F117 HydrophobicContact CE2-CE2 3.87Å; Y102-F117 HydrophobicContact CE2-CZ 4.43Å |
| 103 | K | 91.4 | Very high | 90.2 | Very high | 109 Ų | 109 | 58.7 Ų | 58.7 | 47% | 0.474 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 179.1 | -169.3 | 61.1 | 171.4 | -173.1 | 0 | 112.3 | M39 A99 G100 V101 A105 G106 | M39-K103 HydrophobicContact CE-CB 4.17Å; M39-K103 HydrophobicContact CE-CD 4.47Å; A99-K103 WeakPolarHBondContact O-CB 3.14Å; A99-K103 PolarHBondContact O-N 2.77Å; G100-K103 PolarHBondContact O-N 3.37Å; V101-K103 VanDerWaalsContact C-N 3.33Å; V101-K103 PolarHBondContact O-N 2.88Å; K103-A105 VanDerWaalsContact C-N 3.29Å; K103-A105 PolarHBondContact O-N 3.44Å; K103-G106 PolarHBondContact O-N 3.18Å; K103-G106 VanDerWaalsContact O-N 3.11Å |
| 104 | A | 92.6 | Very high | 90 | Very high | 92 Ų | 92 | 52.6 Ų | 52.6 | 76% | 0.76 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.8 | -33.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G100 V101 G106 | G100-A104 VanDerWaalsContact O-CB 3.29Å; G100-A104 WeakPolarHBondContact O-CB 3.39Å; G100-A104 PolarHBondContact O-N 3.15Å; V101-A104 PolarHBondContact O-N 3.39Å; A104-G106 VanDerWaalsContact C-N 3.25Å; A104-G106 PolarHBondContact O-N 3.44Å |
| 105 | A | 91.6 | Very high | 89.8 | Confident | 63 Ų | 63 | 51.9 Ų | 51.9 | 52% | 0.521 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -3.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | V101 Y102 K103 K107 | V101-A105 VanDerWaalsContact O-CB 3.25Å; V101-A105 WeakPolarHBondContact O-CB 3.25Å; V101-A105 PolarHBondContact O-N 3.11Å; Y102-A105 PolarHBondContact O-N 3.5Å; K103-A105 VanDerWaalsContact C-N 3.29Å; K103-A105 PolarHBondContact O-N 3.44Å; A105-K107 HydrophobicContact CB-CD 4.4Å; A105-K107 HydrophobicContact CB-CG 4.04Å; A105-K107 PolarHBondContact O-N 3.33Å |
| 106 | G | 88 | Confident | 89.7 | Confident | 70 Ų | 70 | 55.2 Ų | 55.2 | 72% | 0.722 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 22 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y102 K103 A104 | Y102-G106 PolarHBondContact O-N 3.11Å; K103-G106 PolarHBondContact O-N 3.18Å; K103-G106 VanDerWaalsContact O-N 3.11Å; A104-G106 VanDerWaalsContact C-N 3.25Å; A104-G106 PolarHBondContact O-N 3.44Å |
| 107 | K | 87.8 | Confident | 89.6 | Confident | 138 Ų | 138 | 57.9 Ų | 57.9 | 60% | 0.6 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -98.5 | 139 | -178.5 | -63.6 | -169.8 | 79.8 | 115.4 | 0 | 110.8 | Y102 A105 | Y102-K107 HydrophobicContact CD1-CB 3.96Å; Y102-K107 HydrophobicContact CE1-CB 4.47Å; Y102-K107 PolarHBondContact O-N 3.14Å; A105-K107 HydrophobicContact CB-CD 4.4Å; A105-K107 HydrophobicContact CB-CG 4.04Å; A105-K107 PolarHBondContact O-N 3.33Å |
| 108 | T | 87.3 | Confident | 89.4 | Confident | 65 Ų | 65 | 55 Ų | 55 | 40% | 0.399 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -80.1 | 145.6 | 166.6 | 57.1 | 0 | 0 | 0 | 0 | 109.9 | I34 | I34-T108 HydrophobicContact CG1-CG2 4.02Å; I34-T108 HydrophobicContact CG2-CG2 4.47Å |
| 109 | M | 84.9 | Confident | 89.3 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 131 | 178.7 | -170.5 | 179.3 | 68.5 | 0 | 0 | 110.3 | F32 L33 M39 V43 Y102 E113 A114 | F32-M109 CarbonylContact C-O 3.54Å; F32-M109 WeakPolarHBondContact CA-O 3.43Å; L33-M109 HydrophobicContact CB-CE 4.48Å; L33-M109 HydrophobicContact CD1-CE 3.5Å; L33-M109 PolarHBondContact N-O 2.92Å; L33-M109 PolarHBondContact O-N 2.91Å; M39-M109 VanDerWaalsContact CA-CE 3.44Å; M39-M109 HydrophobicContact CB-CE 3.64Å; M39-M109 HydrophobicContact CB-SD 4.34Å; M39-M109 HydrophobicContact CG-CB 3.85Å; M39-M109 HydrophobicContact CG-CE 3.89Å; M39-M109 WeakPolarHBondContact O-CE 3.35Å; M39-M109 HydrophobicContact SD-CB 3.68Å; V43-M109 HydrophobicContact CG2-CE 3.83Å; V43-M109 HydrophobicContact CG2-SD 3.77Å; Y102-M109 HydrophobicContact CD1-CB 3.68Å; Y102-M109 HydrophobicContact CD1-CG 4.18Å; Y102-M109 HydrophobicContact CE1-CB 3.72Å; Y102-M109 HydrophobicContact CE1-CG 3.83Å; Y102-M109 HydrophobicContact CE2-CG 4.39Å; Y102-M109 HydrophobicContact CE2-SD 4.45Å; Y102-M109 HydrophobicContact CG-CB 4.25Å; M109-E113 HydrophobicContact CG-CB 3.9Å; M109-A114 HydrophobicContact CE-CB 3.4Å; M109-A114 VanDerWaalsContact CE-CB 3.4Å; M109-A114 HydrophobicContact SD-CB 4.24Å |
| 110 | M | 85.3 | Confident | 89.2 | Confident | 53 Ų | 53 | 56.9 Ų | 56.9 | 26% | 0.261 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 147.1 | 174.1 | -166.6 | -179.1 | -68.5 | 0 | 0 | 110.2 | F32 F112 E113 A114 | F32-M110 HydrophobicContact CD1-CB 4.28Å; F32-M110 HydrophobicContact CE1-CB 4.25Å; F32-M110 HydrophobicContact CE1-CE 3.77Å; F32-M110 HydrophobicContact CE1-CG 4.42Å; F32-M110 HydrophobicContact CZ-CE 3.85Å; M110-F112 HydrophobicContact CG-CB 4.4Å; M110-F112 PolarHBondContact O-N 3.18Å; M110-F112 VanDerWaalsContact O-N 3.12Å; M110-F112 HydrophobicContact SD-CB 4.27Å; M110-E113 HydrophobicContact CB-CG 4.11Å; M110-E113 PolarHBondContact N-OE2 3.39Å; M110-E113 VanDerWaalsContact N-OE2 3.1Å; M110-E113 WeakPolarHBondContact O-CB 3.25Å; M110-E113 PolarHBondContact O-N 3.44Å; M110-A114 PolarHBondContact O-N 3.44Å; M110-A114 VanDerWaalsContact O-N 3.11Å |
| 111 | S | 83.3 | Confident | 89.2 | Confident | 10 Ų | 10 | 57 Ų | 57 | 7% | 0.07 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -53.4 | -34.9 | 175.4 | -65.4 | 0 | 0 | 0 | 0 | 113.1 | R25 T31 A114 F115 | R25-S111 PolarHBondContact NH1-OG 2.95Å; R25-S111 PolarHBondContact NH2-OG 2.98Å; T31-S111 PolarHBondContact O-N 3.39Å; T31-S111 PolarHBondContact O-OG 3Å; S111-A114 WeakPolarHBondContact O-CB 3.38Å; S111-A114 PolarHBondContact O-N 3.18Å; S111-F115 PolarHBondContact O-N 3.08Å; S111-F115 VanDerWaalsContact O-N 3.14Å |
| 112 | F | 81.6 | Confident | 89 | Confident | 91 Ų | 91 | 52.6 Ų | 52.6 | 40% | 0.399 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.9 | -38.5 | 175.4 | -177.9 | -106.3 | 0 | 0 | 0 | 112.8 | F18 M110 A114 F115 V116 | F18-F112 AromaticContact CD2-CD2 3.81Å; F18-F112 HydrophobicContact CD2-CD2 3.81Å; F18-F112 HydrophobicContact CD2-CE2 4.37Å; F18-F112 AromaticContact CE2-CD2 3.94Å; F18-F112 HydrophobicContact CE2-CD2 3.94Å; F18-F112 HydrophobicContact CE2-CE2 4.04Å; M110-F112 HydrophobicContact CG-CB 4.4Å; M110-F112 PolarHBondContact O-N 3.18Å; M110-F112 VanDerWaalsContact O-N 3.12Å; M110-F112 HydrophobicContact SD-CB 4.27Å; F112-A114 VanDerWaalsContact C-N 3.32Å; F112-A114 PolarHBondContact O-N 2.93Å; F112-F115 HydrophobicContact CD2-CD1 4.28Å; F112-F115 HydrophobicContact CE2-CD1 4.17Å; F112-F115 WeakPolarHBondContact O-CB 3.48Å; F112-F115 PolarHBondContact O-N 3.06Å; F112-V116 HydrophobicContact CD1-CG2 4.11Å; F112-V116 HydrophobicContact CE1-CG2 3.66Å; F112-V116 HydrophobicContact CE2-CG2 4.17Å; F112-V116 HydrophobicContact CZ-CG2 3.7Å; F112-V116 WeakPolarHBondContact O-CG2 3.16Å; F112-V116 PolarHBondContact O-N 3.5Å |
| 113 | E | 87.1 | Confident | 88.8 | Confident | 71 Ų | 71 | 56.6 Ų | 56.6 | 33% | 0.332 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 174.9 | -66.4 | -177.4 | 134.9 | 0 | 0 | 110.7 | Y102 M109 M110 F115 V116 F117 | Y102-E113 PolarHBondContact OH-OE1 3.27Å; Y102-E113 PolarHBondContact OH-OE2 3.33Å; M109-E113 HydrophobicContact CG-CB 3.9Å; M110-E113 HydrophobicContact CB-CG 4.11Å; M110-E113 PolarHBondContact N-OE2 3.39Å; M110-E113 VanDerWaalsContact N-OE2 3.1Å; M110-E113 WeakPolarHBondContact O-CB 3.25Å; M110-E113 PolarHBondContact O-N 3.44Å; E113-F115 VanDerWaalsContact C-N 3.27Å; E113-F115 PolarHBondContact O-N 3.42Å; E113-V116 PolarHBondContact O-N 2.87Å; E113-F117 HydrophobicContact CB-CD2 4.37Å; E113-F117 HydrophobicContact CB-CE2 4.33Å; E113-F117 WeakPolarHBondContact O-CD2 3.35Å; E113-F117 PolarHBondContact O-N 2.75Å |
| 114 | A | 88.7 | Confident | 88.8 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.008 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -54.5 | -46.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L33 V43 M109 M110 S111 F112 G118 | L33-A114 HydrophobicContact CD1-CB 4.09Å; V43-A114 HydrophobicContact CG2-CB 4.23Å; M109-A114 HydrophobicContact CE-CB 3.4Å; M109-A114 VanDerWaalsContact CE-CB 3.4Å; M109-A114 HydrophobicContact SD-CB 4.24Å; M110-A114 PolarHBondContact O-N 3.44Å; M110-A114 VanDerWaalsContact O-N 3.11Å; S111-A114 WeakPolarHBondContact O-CB 3.38Å; S111-A114 PolarHBondContact O-N 3.18Å; F112-A114 VanDerWaalsContact C-N 3.32Å; F112-A114 PolarHBondContact O-N 2.93Å; A114-G118 PolarHBondContact O-N 3.29Å |
| 115 | F | 88.5 | Confident | 88.6 | Confident | 49 Ų | 49 | 52.7 Ų | 52.7 | 22% | 0.215 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62 | -49.6 | 176.3 | 164.9 | -100.3 | 0 | 0 | 0 | 111.7 | F18 W46 S111 F112 E113 F117 G118 V119 | F18-F115 HydrophobicContact CD1-CB 4Å; F18-F115 HydrophobicContact CD1-CD1 4.27Å; F18-F115 AromaticContact CD1-CD2 3.82Å; F18-F115 HydrophobicContact CD1-CD2 3.82Å; F18-F115 HydrophobicContact CD1-CE2 4.35Å; F18-F115 AromaticContact CD1-CG 3.75Å; F18-F115 HydrophobicContact CD1-CG 3.75Å; F18-F115 HydrophobicContact CE1-CB 4.11Å; F18-F115 AromaticContact CE1-CD1 3.64Å; F18-F115 HydrophobicContact CE1-CD1 3.64Å; F18-F115 AromaticContact CE1-CD2 3.19Å; F18-F115 HydrophobicContact CE1-CD2 3.19Å; F18-F115 AromaticContact CE1-CE1 3.77Å; F18-F115 HydrophobicContact CE1-CE1 3.77Å; F18-F115 AromaticContact CE1-CE2 3.32Å; F18-F115 HydrophobicContact CE1-CE2 3.32Å; F18-F115 AromaticContact CE1-CG 3.34Å; F18-F115 HydrophobicContact CE1-CG 3.34Å; F18-F115 AromaticContact CE1-CZ 3.61Å; F18-F115 HydrophobicContact CE1-CZ 3.61Å; F18-F115 HydrophobicContact CE2-CD1 4.19Å; F18-F115 HydrophobicContact CE2-CE1 4.22Å; F18-F115 AromaticContact CZ-CD1 3.59Å; F18-F115 HydrophobicContact CZ-CD1 3.59Å; F18-F115 AromaticContact CZ-CD2 3.93Å; F18-F115 HydrophobicContact CZ-CD2 3.93Å; F18-F115 AromaticContact CZ-CE1 3.42Å; F18-F115 HydrophobicContact CZ-CE1 3.42Å; F18-F115 VanDerWaalsContact CZ-CE1 3.42Å; F18-F115 AromaticContact CZ-CE2 3.76Å; F18-F115 HydrophobicContact CZ-CE2 3.76Å; F18-F115 AromaticContact CZ-CG 3.84Å; F18-F115 HydrophobicContact CZ-CG 3.84Å; F18-F115 AromaticContact CZ-CZ 3.5Å; F18-F115 HydrophobicContact CZ-CZ 3.5Å; W46-F115 HydrophobicContact CD2-CB 4.28Å; W46-F115 AromaticContact CD2-CD2 3.77Å; W46-F115 HydrophobicContact CD2-CD2 3.77Å; W46-F115 AromaticContact CE3-CD2 3.64Å; W46-F115 HydrophobicContact CE3-CD2 3.64Å; W46-F115 HydrophobicContact CE3-CE2 4.19Å; W46-F115 HydrophobicContact CG-CB 4.18Å; W46-F115 HydrophobicContact CG-CD2 4.22Å; W46-F115 HydrophobicContact CH2-CD2 4.5Å; W46-F115 HydrophobicContact CZ3-CD2 4.03Å; W46-F115 HydrophobicContact CZ3-CE2 4.34Å; S111-F115 PolarHBondContact O-N 3.08Å; S111-F115 VanDerWaalsContact O-N 3.14Å; F112-F115 HydrophobicContact CD2-CD1 4.28Å; F112-F115 HydrophobicContact CE2-CD1 4.17Å; F112-F115 WeakPolarHBondContact O-CB 3.48Å; F112-F115 PolarHBondContact O-N 3.06Å; E113-F115 VanDerWaalsContact C-N 3.27Å; E113-F115 PolarHBondContact O-N 3.42Å; F115-F117 PolarHBondContact O-N 2.85Å; F115-G118 PolarHBondContact O-N 3.12Å; F115-V119 HydrophobicContact CD2-CG2 3.73Å; F115-V119 HydrophobicContact CE1-CG2 4.39Å; F115-V119 HydrophobicContact CE2-CG2 3.31Å; F115-V119 HydrophobicContact CG-CG2 4.45Å; F115-V119 HydrophobicContact CZ-CG2 3.69Å; F115-V119 WeakPolarHBondContact O-CG2 3.38Å; F115-V119 PolarHBondContact O-N 3.15Å |
| 116 | V | 90.7 | Very high | 88.3 | Confident | 69 Ų | 69 | 51 Ų | 51 | 42% | 0.418 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | -179.3 | 171.9 | 0 | 0 | 0 | 0 | 111 | F112 E113 G120 | F112-V116 HydrophobicContact CD1-CG2 4.11Å; F112-V116 HydrophobicContact CE1-CG2 3.66Å; F112-V116 HydrophobicContact CE2-CG2 4.17Å; F112-V116 HydrophobicContact CZ-CG2 3.7Å; F112-V116 WeakPolarHBondContact O-CG2 3.16Å; F112-V116 PolarHBondContact O-N 3.5Å; E113-V116 PolarHBondContact O-N 2.87Å; V116-G120 WeakPolarHBondContact O-CA 3.45Å; V116-G120 PolarHBondContact O-N 3.37Å |
| 117 | F | 91.7 | Very high | 88.3 | Confident | 82 Ų | 82 | 51.7 Ų | 51.7 | 36% | 0.36 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.9 | -40.8 | 175.5 | -76.8 | -60 | 0 | 0 | 0 | 112.5 | V43 I98 Y102 E113 F115 Q121 | V43-F117 HydrophobicContact CG1-CB 3.93Å; V43-F117 HydrophobicContact CG2-CB 4.26Å; I98-F117 HydrophobicContact CD1-CB 4.13Å; I98-F117 HydrophobicContact CD1-CD1 4.15Å; I98-F117 HydrophobicContact CD1-CG 4.27Å; I98-F117 HydrophobicContact CG2-CD2 4.09Å; I98-F117 HydrophobicContact CG2-CE2 4.43Å; I98-F117 HydrophobicContact CG2-CG 4.19Å; Y102-F117 AromaticContact CE2-CE2 3.87Å; Y102-F117 HydrophobicContact CE2-CE2 3.87Å; Y102-F117 HydrophobicContact CE2-CZ 4.43Å; E113-F117 HydrophobicContact CB-CD2 4.37Å; E113-F117 HydrophobicContact CB-CE2 4.33Å; E113-F117 WeakPolarHBondContact O-CD2 3.35Å; E113-F117 PolarHBondContact O-N 2.75Å; F115-F117 PolarHBondContact O-N 2.85Å; F117-Q121 WeakPolarHBondContact O-CG 2.9Å; F117-Q121 PolarHBondContact O-N 3.29Å |
| 118 | G | 90.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.6 | -51.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V43 S47 A114 F115 Q121 S122 | V43-G118 WeakPolarHBondContact O-CA 3.45Å; S47-G118 VanDerWaalsContact CA-O 3.3Å; S47-G118 WeakPolarHBondContact CA-O 3.45Å; A114-G118 PolarHBondContact O-N 3.29Å; F115-G118 PolarHBondContact O-N 3.12Å; G118-Q121 WeakPolarHBondContact O-CG 3.44Å; G118-S122 PolarHBondContact O-N 3.07Å |
| 119 | V | 91 | Very high | 88.2 | Confident | 43 Ų | 43 | 50.1 Ų | 50.1 | 26% | 0.261 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.3 | -40.6 | 177 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | F115 Q121 S122 F123 | F115-V119 HydrophobicContact CD2-CG2 3.73Å; F115-V119 HydrophobicContact CE1-CG2 4.39Å; F115-V119 HydrophobicContact CE2-CG2 3.31Å; F115-V119 HydrophobicContact CG-CG2 4.45Å; F115-V119 HydrophobicContact CZ-CG2 3.69Å; F115-V119 WeakPolarHBondContact O-CG2 3.38Å; F115-V119 PolarHBondContact O-N 3.15Å; V119-Q121 PolarHBondContact O-N 2.81Å; V119-S122 PolarHBondContact O-N 2.97Å; V119-F123 WeakPolarHBondContact O-CB 3.25Å; V119-F123 PolarHBondContact O-N 2.99Å |
| 120 | G | 92.1 | Very high | 88.1 | Confident | 31 Ų | 31 | 57 Ų | 57 | 32% | 0.32 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.7 | -45.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V116 F123 C124 | V116-G120 WeakPolarHBondContact O-CA 3.45Å; V116-G120 PolarHBondContact O-N 3.37Å; G120-F123 PolarHBondContact O-N 3.5Å; G120-C124 WeakPolarHBondContact O-CB 3.36Å; G120-C124 PolarHBondContact O-N 2.87Å; G120-C124 PolarHBondContact O-SG 3.12Å |
| 121 | Q | 91.3 | Very high | 88.2 | Confident | 30 Ų | 30 | 59.1 Ų | 59.1 | 14% | 0.14 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 177.5 | 64.2 | -179.5 | -55.8 | 0 | 0 | 112.5 | V43 S47 T94 S95 F117 G118 V119 F123 C124 V125 | V43-Q121 VanDerWaalsContact CG1-NE2 3.29Å; S47-Q121 VanDerWaalsContact OG-CD 3.25Å; S47-Q121 WeakPolarHBondContact OG-CG 3.41Å; T94-Q121 PolarHBondContact OG1-OE1 2.81Å; S95-Q121 PolarHBondContact OG-NE2 3.43Å; F117-Q121 WeakPolarHBondContact O-CG 2.9Å; F117-Q121 PolarHBondContact O-N 3.29Å; G118-Q121 WeakPolarHBondContact O-CG 3.44Å; V119-Q121 PolarHBondContact O-N 2.81Å; Q121-F123 VanDerWaalsContact C-N 3.34Å; Q121-F123 PolarHBondContact O-N 3.34Å; Q121-C124 PolarHBondContact O-N 3.04Å; Q121-V125 WeakPolarHBondContact O-CG2 3.38Å; Q121-V125 PolarHBondContact O-N 2.93Å |
| 122 | S | 90.1 | Very high | 88.2 | Confident | 6 Ų | 6 | 67.9 Ų | 67.9 | 4% | 0.042 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 176.7 | -68.8 | 0 | 0 | 0 | 0 | 112 | S47 S50 G118 V119 V125 V126 | S47-S122 PolarHBondContact O-OG 2.93Å; S47-S122 PolarHBondContact OG-OG 3.38Å; S50-S122 WeakPolarHBondContact OG-CB 3.21Å; S50-S122 PolarHBondContact OG-OG 3.16Å; G118-S122 PolarHBondContact O-N 3.07Å; V119-S122 PolarHBondContact O-N 2.97Å; S122-V125 PolarHBondContact O-N 3.26Å; S122-V126 WeakPolarHBondContact O-CG2 3.33Å; S122-V126 PolarHBondContact O-N 2.82Å |
| 123 | F | 90.2 | Very high | 88.2 | Confident | 115 Ų | 115 | 68.3 Ų | 68.3 | 50% | 0.504 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62 | -46.3 | 175 | 180 | -102.2 | 0 | 0 | 0 | 111.8 | V119 G120 Q121 V125 V126 L127 | V119-F123 WeakPolarHBondContact O-CB 3.25Å; V119-F123 PolarHBondContact O-N 2.99Å; G120-F123 PolarHBondContact O-N 3.5Å; Q121-F123 VanDerWaalsContact C-N 3.34Å; Q121-F123 PolarHBondContact O-N 3.34Å; F123-V125 VanDerWaalsContact C-N 3.34Å; F123-V125 PolarHBondContact O-N 3.23Å; F123-V126 PolarHBondContact O-N 3.39Å; F123-L127 WeakPolarHBondContact O-CB 3.44Å; F123-L127 PolarHBondContact O-N 2.93Å |
| 124 | C | 89.9 | Confident | 87.5 | Confident | 65 Ų | 65 | 70.6 Ų | 70.6 | 44% | 0.439 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 175.4 | -72 | 0 | 0 | 0 | 0 | 112 | G120 Q121 L127 I128 | G120-C124 WeakPolarHBondContact O-CB 3.36Å; G120-C124 PolarHBondContact O-N 2.87Å; G120-C124 PolarHBondContact O-SG 3.12Å; Q121-C124 PolarHBondContact O-N 3.04Å; C124-L127 PolarHBondContact O-N 3.1Å; C124-I128 WeakPolarHBondContact O-CB 3.4Å; C124-I128 VanDerWaalsContact O-CG1 3.25Å; C124-I128 WeakPolarHBondContact O-CG1 3.22Å; C124-I128 PolarHBondContact O-N 3Å |
| 125 | V | 87.8 | Confident | 87 | Confident | 54 Ų | 54 | 74.5 Ų | 74.5 | 33% | 0.327 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 177 | 167.1 | 0 | 0 | 0 | 0 | 111 | P87 Q121 S122 F123 S129 | P87-V125 HydrophobicContact CB-CG1 4.3Å; P87-V125 HydrophobicContact CG-CG1 3.87Å; Q121-V125 WeakPolarHBondContact O-CG2 3.38Å; Q121-V125 PolarHBondContact O-N 2.93Å; S122-V125 PolarHBondContact O-N 3.26Å; F123-V125 VanDerWaalsContact C-N 3.34Å; F123-V125 PolarHBondContact O-N 3.23Å; V125-S129 WeakPolarHBondContact O-CB 3.31Å; V125-S129 PolarHBondContact O-N 2.83Å; V125-S129 PolarHBondContact O-OG 2.92Å |
| 126 | V | 86.3 | Confident | 86.6 | Confident | 28 Ų | 28 | 77.4 Ų | 77.4 | 17% | 0.17 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -61.5 | -47.4 | 176.5 | 169.7 | 0 | 0 | 0 | 0 | 110.4 | F54 S122 F123 I128 S129 F130 | F54-V126 HydrophobicContact CB-CG2 4.12Å; F54-V126 HydrophobicContact CD2-CG2 4.08Å; F54-V126 HydrophobicContact CG-CG2 4.06Å; S122-V126 WeakPolarHBondContact O-CG2 3.33Å; S122-V126 PolarHBondContact O-N 2.82Å; F123-V126 PolarHBondContact O-N 3.39Å; V126-I128 PolarHBondContact O-N 3.25Å; V126-S129 WeakPolarHBondContact O-CB 3.15Å; V126-S129 PolarHBondContact O-N 3.41Å; V126-S129 VanDerWaalsContact O-N 3.16Å; V126-F130 HydrophobicContact CG1-CD2 3.61Å; V126-F130 HydrophobicContact CG1-CE2 3.49Å; V126-F130 VanDerWaalsContact CG1-CE2 3.49Å; V126-F130 VanDerWaalsContact O-CD2 3.26Å; V126-F130 WeakPolarHBondContact O-CD2 3.33Å; V126-F130 PolarHBondContact O-N 2.92Å |
| 127 | L | 89 | Confident | 85.3 | Confident | 84 Ų | 84 | 83.2 Ų | 83.2 | 44% | 0.44 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.5 | -49.3 | 179.6 | -177.2 | 65.6 | 0 | 0 | 0 | 111.9 | F123 C124 S129 F130 L131 | F123-L127 WeakPolarHBondContact O-CB 3.44Å; F123-L127 PolarHBondContact O-N 2.93Å; C124-L127 PolarHBondContact O-N 3.1Å; L127-S129 VanDerWaalsContact C-N 3.27Å; L127-S129 PolarHBondContact O-N 3.32Å; L127-F130 PolarHBondContact O-N 2.85Å; L127-L131 HydrophobicContact CG-CD1 4.17Å; L127-L131 VanDerWaalsContact O-CG 3.3Å; L127-L131 WeakPolarHBondContact O-CG 3.38Å; L127-L131 PolarHBondContact O-N 3.18Å |
| 128 | I | 87.6 | Confident | 85 | Confident | 111 Ų | 111 | 83.3 Ų | 83.3 | 57% | 0.569 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -61.1 | -39.2 | 176.7 | -67.7 | 165.9 | 0 | 0 | 0 | 110.6 | C124 V126 L131 R132 | C124-I128 WeakPolarHBondContact O-CB 3.4Å; C124-I128 VanDerWaalsContact O-CG1 3.25Å; C124-I128 WeakPolarHBondContact O-CG1 3.22Å; C124-I128 PolarHBondContact O-N 3Å; V126-I128 PolarHBondContact O-N 3.25Å; I128-L131 PolarHBondContact O-N 2.94Å; I128-R132 WeakPolarHBondContact O-CB 3.3Å; I128-R132 PolarHBondContact O-N 2.79Å |
| 129 | S | 84.7 | Confident | 84.7 | Confident | 60 Ų | 60 | 87.7 Ų | 87.7 | 42% | 0.42 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 177.7 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | V125 V126 L127 R132 I133 | V125-S129 WeakPolarHBondContact O-CB 3.31Å; V125-S129 PolarHBondContact O-N 2.83Å; V125-S129 PolarHBondContact O-OG 2.92Å; V126-S129 WeakPolarHBondContact O-CB 3.15Å; V126-S129 PolarHBondContact O-N 3.41Å; V126-S129 VanDerWaalsContact O-N 3.16Å; L127-S129 VanDerWaalsContact C-N 3.27Å; L127-S129 PolarHBondContact O-N 3.32Å; S129-R132 PolarHBondContact O-N 3.01Å; S129-I133 WeakPolarHBondContact O-CG1 3.48Å; S129-I133 PolarHBondContact O-N 3.35Å |
| 130 | F | 83.1 | Confident | 84.4 | Confident | 144 Ų | 144 | 90.2 Ų | 90.2 | 63% | 0.632 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.6 | -46.7 | 173.6 | -85.4 | -70.9 | 0 | 0 | 0 | 112.4 | V126 L127 R132 I133 L134 | V126-F130 HydrophobicContact CG1-CD2 3.61Å; V126-F130 HydrophobicContact CG1-CE2 3.49Å; V126-F130 VanDerWaalsContact CG1-CE2 3.49Å; V126-F130 VanDerWaalsContact O-CD2 3.26Å; V126-F130 WeakPolarHBondContact O-CD2 3.33Å; V126-F130 PolarHBondContact O-N 2.92Å; L127-F130 PolarHBondContact O-N 2.85Å; F130-R132 VanDerWaalsContact C-N 3.28Å; F130-R132 PolarHBondContact O-N 3.32Å; F130-I133 PolarHBondContact O-N 3.47Å; F130-L134 PolarHBondContact O-N 3.37Å |
| 131 | L | 86.5 | Confident | 83.9 | Confident | 98 Ų | 98 | 93.6 Ų | 93.6 | 51% | 0.513 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.5 | -37.4 | 178.5 | -70.3 | 173.3 | 0 | 0 | 0 | 112.1 | L127 I128 L134 A135 | L127-L131 HydrophobicContact CG-CD1 4.17Å; L127-L131 VanDerWaalsContact O-CG 3.3Å; L127-L131 WeakPolarHBondContact O-CG 3.38Å; L127-L131 PolarHBondContact O-N 3.18Å; I128-L131 PolarHBondContact O-N 2.94Å; L131-L134 PolarHBondContact O-N 3.43Å; L131-A135 WeakPolarHBondContact O-CB 3.48Å; L131-A135 PolarHBondContact O-N 3.18Å |
| 132 | R | 83.7 | Confident | 83.4 | Confident | 194 Ų | 194 | 97.6 Ų | 97.6 | 73% | 0.732 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.5 | -44.6 | 176.7 | -174.2 | -176.8 | 179.3 | 127.9 | 1.6 | 111.8 | I128 S129 F130 L134 A135 T136 | I128-R132 WeakPolarHBondContact O-CB 3.3Å; I128-R132 PolarHBondContact O-N 2.79Å; S129-R132 PolarHBondContact O-N 3.01Å; F130-R132 VanDerWaalsContact C-N 3.28Å; F130-R132 PolarHBondContact O-N 3.32Å; R132-L134 VanDerWaalsContact C-N 3.31Å; R132-L134 PolarHBondContact O-N 3.17Å; R132-A135 PolarHBondContact O-N 3.42Å; R132-T136 PolarHBondContact O-N 3.07Å; R132-T136 PolarHBondContact O-OG1 3.39Å |
| 133 | I | 80.6 | Confident | 83 | Confident | 99 Ų | 99 | 103.7 Ų | 103.7 | 51% | 0.508 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -60.7 | -45 | 177 | -67.1 | 164.6 | 0 | 0 | 0 | 109.9 | S129 F130 A135 T136 L137 | S129-I133 WeakPolarHBondContact O-CG1 3.48Å; S129-I133 PolarHBondContact O-N 3.35Å; F130-I133 PolarHBondContact O-N 3.47Å; I133-A135 VanDerWaalsContact C-N 3.29Å; I133-A135 PolarHBondContact O-N 3.11Å; I133-T136 PolarHBondContact O-N 3.27Å; I133-T136 VanDerWaalsContact O-N 3.14Å; I133-T136 PolarHBondContact O-OG1 3.07Å; I133-L137 HydrophobicContact CG2-CD1 4.04Å; I133-L137 PolarHBondContact O-N 3.2Å |
| 134 | L | 73.3 | Confident | 82.5 | Confident | 119 Ų | 119 | 102.9 Ų | 102.9 | 62% | 0.623 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60 | -38.3 | 176.7 | -177.3 | 63.7 | 0 | 0 | 0 | 112.4 | F130 L131 R132 T136 | F130-L134 PolarHBondContact O-N 3.37Å; L131-L134 PolarHBondContact O-N 3.43Å; R132-L134 VanDerWaalsContact C-N 3.31Å; R132-L134 PolarHBondContact O-N 3.17Å; L134-T136 VanDerWaalsContact C-N 3.27Å; L134-T136 PolarHBondContact O-N 3.41Å |
| 135 | A | 77.8 | Confident | 81.9 | Confident | 83 Ų | 83 | 105.8 Ų | 105.8 | 69% | 0.686 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -72.6 | -17 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L131 R132 I133 | L131-A135 WeakPolarHBondContact O-CB 3.48Å; L131-A135 PolarHBondContact O-N 3.18Å; R132-A135 PolarHBondContact O-N 3.42Å; I133-A135 VanDerWaalsContact C-N 3.29Å; I133-A135 PolarHBondContact O-N 3.11Å |
| 136 | T | 80.8 | Confident | 81.4 | Confident | 111 Ų | 111 | 110.2 Ų | 110.2 | 68% | 0.681 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -3.9 | 178.5 | 52.9 | 0 | 0 | 0 | 0 | 114.1 | R132 I133 L134 | R132-T136 PolarHBondContact O-N 3.07Å; R132-T136 PolarHBondContact O-OG1 3.39Å; I133-T136 PolarHBondContact O-N 3.27Å; I133-T136 VanDerWaalsContact O-N 3.14Å; I133-T136 PolarHBondContact O-OG1 3.07Å; L134-T136 VanDerWaalsContact C-N 3.27Å; L134-T136 PolarHBondContact O-N 3.41Å |
| 137 | L | 63.6 | Low | 81 | Confident | 191 Ų | 191 | 117.6 Ų | 117.6 | 100% | 1 | 62% | 0.618 | S | S | * | * | trans | -94.2 | 0 | 173.4 | -80 | 161.4 | 0 | 0 | 0 | 110.2 | I133 | I133-L137 HydrophobicContact CG2-CD1 4.04Å; I133-L137 PolarHBondContact O-N 3.2Å |
Retrieved 137 of 137 residues in 30.4 ms
(Link to these results)