| 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 | 37.8 | Very low | 46.4 | Very low | 255 Ų | 255 | 146.4 Ų | 146.4 | 100% | 1.256 | 73% | 0.732 | S | S | * | * | 0 | 92 | 0 | -75.2 | 171.6 | 170.3 | 0 | 0 | 106 | |||||
| 2 | A | 33 | Very low | 47.2 | Very low | 100 Ų | 100 | 138.3 Ų | 138.3 | 83% | 0.826 | 70% | 0.704 | S | S | * | * | trans | -122 | 135.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 3 | D | 42 | Very low | 48 | Very low | 161 Ų | 161 | 139.1 Ų | 139.1 | 86% | 0.861 | 70% | 0.695 | S | S | * | * | trans | -44.6 | 133.4 | -176.6 | -73.8 | -52 | 0 | 0 | 0 | 113.8 | P5 | D3-P5 VanDerWaalsContact O-CD 3.28Å; D3-P5 WeakPolarHBondContact O-CD 3.17Å | ||
| 4 | D | 39.3 | Very low | 48.4 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 65% | 0.647 | 67% | 0.668 | S | S | * | * | trans | -72.9 | 115 | 169.7 | -168.5 | -11 | 0 | 0 | 0 | 109.8 | Q6 | D4-Q6 PolarHBondContact O-N 3.38Å; D4-Q6 WeakPolarHBondContact OD1-CB 3.36Å; D4-Q6 PolarHBondContact OD1-N 3.33Å; D4-Q6 VanDerWaalsContact OD1-N 3.13Å | ||
| 5 | P | 44.5 | Very low | 48.9 | Very low | 108 Ų | 108 | 133.5 Ų | 133.5 | 70% | 0.701 | 66% | 0.659 | S | S | * | * | trans | -79.5 | 4 | -179 | -4.2 | 22.8 | 0 | 0 | 0 | 113.2 | D3 R7 | D3-P5 VanDerWaalsContact O-CD 3.28Å; D3-P5 WeakPolarHBondContact O-CD 3.17Å; P5-R7 PolarHBondContact O-N 2.93Å | ||
| 6 | Q | 44.7 | Very low | 49.2 | Very low | 158 Ų | 158 | 137.1 Ų | 137.1 | 74% | 0.738 | 67% | 0.67 | S | S | * | * | trans | -74.3 | 42.9 | 171.6 | -80.9 | -172.6 | -6.8 | 0 | 0 | 113 | D4 N8 | D4-Q6 PolarHBondContact O-N 3.38Å; D4-Q6 WeakPolarHBondContact OD1-CB 3.36Å; D4-Q6 PolarHBondContact OD1-N 3.33Å; D4-Q6 VanDerWaalsContact OD1-N 3.13Å; Q6-N8 PolarHBondContact O-N 3.29Å | ||
| 7 | R | 49.3 | Very low | 49.5 | Very low | 239 Ų | 239 | 133.1 Ų | 133.1 | 90% | 0.902 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -73.9 | 69.4 | 162.9 | -137 | 175.8 | -176.7 | -176.6 | 0.6 | 109 | P5 F9 | P5-R7 PolarHBondContact O-N 2.93Å; R7-F9 PolarHBondContact O-N 3.28Å |
| 8 | N | 56.7 | Low | 49.1 | Very low | 66 Ų | 66 | 129.1 Ų | 129.1 | 35% | 0.353 | 65% | 0.654 | S | S | . | * | trans | 55 | 57.2 | 144.7 | -131.7 | -1.1 | 0 | 0 | 0 | 117.1 | Q6 R10 S11 A12 E23 | Q6-N8 PolarHBondContact O-N 3.29Å; N8-R10 PolarHBondContact O-N 3.34Å; N8-S11 WeakPolarHBondContact CB-OG 3.39Å; N8-S11 WeakPolarHBondContact O-CB 3.45Å; N8-S11 PolarHBondContact O-N 2.74Å; N8-S11 PolarHBondContact O-OG 2.9Å; N8-A12 PolarHBondContact O-N 2.95Å; N8-E23 VanDerWaalsContact CG-OE1 3.29Å; N8-E23 PolarHBondContact ND2-OE1 3.11Å; N8-E23 PolarHBondContact ND2-OE2 2.61Å; N8-E23 PolarHBondContact OD1-OE1 3.23Å; N8-E23 VanDerWaalsContact OD1-OE1 3.13Å | ||
| 9 | F | 54 | Low | 49 | Very low | 175 Ų | 175 | 129.2 Ų | 129.2 | 77% | 0.768 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -47.3 | -29.6 | 168.4 | -77.2 | -87 | 0 | 0 | 0 | 113.8 | R7 Y13 | R7-F9 PolarHBondContact O-N 3.28Å; F9-Y13 WeakPolarHBondContact O-CB 3.42Å; F9-Y13 PolarHBondContact O-N 3.07Å; F9-Y13 VanDerWaalsContact O-N 3.14Å |
| 10 | R | 55.6 | Low | 49.4 | Very low | 184 Ų | 184 | 132.8 Ų | 132.8 | 69% | 0.694 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68.2 | -44.5 | 176.3 | -79 | 179.2 | 160.5 | 147.4 | -3.7 | 112.6 | N8 A12 Y13 Y14 | N8-R10 PolarHBondContact O-N 3.34Å; R10-A12 PolarHBondContact O-N 2.83Å; R10-Y13 PolarHBondContact O-N 2.69Å; R10-Y14 HydrophobicContact CB-CD2 4.41Å; R10-Y14 HydrophobicContact CB-CE2 4.18Å; R10-Y14 WeakPolarHBondContact O-CD2 3.23Å; R10-Y14 PolarHBondContact O-N 3.43Å |
| 11 | S | 53.8 | Low | 50.2 | Low | 43 Ų | 43 | 128 Ų | 128 | 30% | 0.301 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -57.8 | -47.4 | 176.7 | 68.8 | 0 | 0 | 0 | 0 | 111.8 | N8 Y13 Y14 E15 | N8-S11 WeakPolarHBondContact CB-OG 3.39Å; N8-S11 WeakPolarHBondContact O-CB 3.45Å; N8-S11 PolarHBondContact O-N 2.74Å; N8-S11 PolarHBondContact O-OG 2.9Å; S11-Y13 VanDerWaalsContact C-N 3.32Å; S11-Y13 PolarHBondContact O-N 3.19Å; S11-Y14 PolarHBondContact O-N 2.97Å; S11-E15 WeakPolarHBondContact O-CB 3.3Å; S11-E15 PolarHBondContact O-N 2.94Å |
| 12 | A | 55.5 | Low | 51.8 | Low | 49 Ų | 49 | 117.7 Ų | 117.7 | 41% | 0.405 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66 | -32.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | N8 R10 K16 | N8-A12 PolarHBondContact O-N 2.95Å; R10-A12 PolarHBondContact O-N 2.83Å; A12-K16 WeakPolarHBondContact O-CB 3.45Å; A12-K16 PolarHBondContact O-N 2.81Å; A12-K16 VanDerWaalsContact O-N 3.1Å |
| 13 | Y | 57.3 | Low | 54.1 | Low | 149 Ų | 149 | 115.7 Ų | 115.7 | 58% | 0.584 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.7 | -49.6 | 173.7 | -179.4 | -97.7 | 0 | 0 | 0 | 111.2 | F9 R10 S11 E15 K16 V17 | F9-Y13 WeakPolarHBondContact O-CB 3.42Å; F9-Y13 PolarHBondContact O-N 3.07Å; F9-Y13 VanDerWaalsContact O-N 3.14Å; R10-Y13 PolarHBondContact O-N 2.69Å; S11-Y13 VanDerWaalsContact C-N 3.32Å; S11-Y13 PolarHBondContact O-N 3.19Å; Y13-E15 VanDerWaalsContact C-N 3.28Å; Y13-E15 PolarHBondContact O-N 3.4Å; Y13-K16 PolarHBondContact O-N 2.99Å; Y13-K16 VanDerWaalsContact O-N 3.14Å; Y13-V17 HydrophobicContact CD1-CG2 4.28Å; Y13-V17 HydrophobicContact CE1-CG1 4.11Å; Y13-V17 HydrophobicContact CE1-CG2 4.15Å; Y13-V17 HydrophobicContact CE2-CG1 4.11Å; Y13-V17 VanDerWaalsContact O-CG2 3.28Å; Y13-V17 WeakPolarHBondContact O-CG2 3.32Å; Y13-V17 PolarHBondContact O-N 3.22Å |
| 14 | Y | 54 | Low | 56.1 | Low | 79 Ų | 79 | 111.1 Ų | 111.1 | 31% | 0.31 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60 | -39.3 | 177.1 | -72.4 | -55.1 | 0 | 0 | 0 | 112.1 | R10 S11 V17 G18 F19 | R10-Y14 HydrophobicContact CB-CD2 4.41Å; R10-Y14 HydrophobicContact CB-CE2 4.18Å; R10-Y14 WeakPolarHBondContact O-CD2 3.23Å; R10-Y14 PolarHBondContact O-N 3.43Å; S11-Y14 PolarHBondContact O-N 2.97Å; Y14-V17 HydrophobicContact CD1-CG2 4.5Å; Y14-V17 PolarHBondContact O-N 3.09Å; Y14-G18 PolarHBondContact O-N 3.14Å; Y14-F19 CarbonylContact C-O 3.58Å; Y14-F19 WeakPolarHBondContact CB-O 3.39Å; Y14-F19 HydrophobicContact CD1-CB 4.01Å; Y14-F19 HydrophobicContact CG-CB 4.43Å; Y14-F19 CarbonylContact O-C 3.51Å; Y14-F19 WeakPolarHBondContact O-CA 3.45Å; Y14-F19 PolarHBondContact O-N 3.37Å |
| 15 | E | 56.1 | Low | 58.5 | Low | 116 Ų | 116 | 109.1 Ų | 109.1 | 54% | 0.542 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 175.2 | -165.8 | 175.1 | -164.5 | 0 | 0 | 112.4 | S11 Y13 R20 | S11-E15 WeakPolarHBondContact O-CB 3.3Å; S11-E15 PolarHBondContact O-N 2.94Å; Y13-E15 VanDerWaalsContact C-N 3.28Å; Y13-E15 PolarHBondContact O-N 3.4Å; E15-R20 HydrophobicContact CG-CG 4.4Å |
| 16 | K | 53.8 | Low | 60.7 | Low | 191 Ų | 191 | 109.3 Ų | 109.3 | 83% | 0.83 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.5 | -32.2 | 175.3 | -87.1 | -176.3 | 176 | 179.6 | 0 | 114.1 | A12 Y13 G18 | A12-K16 WeakPolarHBondContact O-CB 3.45Å; A12-K16 PolarHBondContact O-N 2.81Å; A12-K16 VanDerWaalsContact O-N 3.1Å; Y13-K16 PolarHBondContact O-N 2.99Å; Y13-K16 VanDerWaalsContact O-N 3.14Å; K16-G18 VanDerWaalsContact C-N 3.34Å |
| 17 | V | 53.9 | Low | 62.9 | Low | 68 Ų | 68 | 104.6 Ų | 104.6 | 41% | 0.412 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 10.3 | 179.4 | -59.8 | 0 | 0 | 0 | 0 | 113.6 | Y13 Y14 F19 | Y13-V17 HydrophobicContact CD1-CG2 4.28Å; Y13-V17 HydrophobicContact CE1-CG1 4.11Å; Y13-V17 HydrophobicContact CE1-CG2 4.15Å; Y13-V17 HydrophobicContact CE2-CG1 4.11Å; Y13-V17 VanDerWaalsContact O-CG2 3.28Å; Y13-V17 WeakPolarHBondContact O-CG2 3.32Å; Y13-V17 PolarHBondContact O-N 3.22Å; Y14-V17 HydrophobicContact CD1-CG2 4.5Å; Y14-V17 PolarHBondContact O-N 3.09Å; V17-F19 HydrophobicContact CG2-CD2 3.84Å |
| 18 | G | 43.1 | Very low | 65.1 | Low | 62 Ų | 62 | 93.2 Ų | 93.2 | 64% | 0.639 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.9 | 2.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y14 K16 R20 | Y14-G18 PolarHBondContact O-N 3.14Å; K16-G18 VanDerWaalsContact C-N 3.34Å; G18-R20 PolarHBondContact O-N 3.41Å |
| 19 | F | 46.2 | Very low | 66.9 | Low | 131 Ų | 131 | 92.6 Ų | 92.6 | 58% | 0.575 | 45% | 0.45 | S | S | * | . | trans | -90.6 | 69 | 174.3 | -74.8 | -85.1 | 0 | 0 | 0 | 110.9 | Y14 V17 V22 | Y14-F19 CarbonylContact C-O 3.58Å; Y14-F19 WeakPolarHBondContact CB-O 3.39Å; Y14-F19 HydrophobicContact CD1-CB 4.01Å; Y14-F19 HydrophobicContact CG-CB 4.43Å; Y14-F19 CarbonylContact O-C 3.51Å; Y14-F19 WeakPolarHBondContact O-CA 3.45Å; Y14-F19 PolarHBondContact O-N 3.37Å; V17-F19 HydrophobicContact CG2-CD2 3.84Å; F19-V22 HydrophobicContact CB-CG2 3.92Å; F19-V22 HydrophobicContact CD1-CG2 4.45Å | ||
| 20 | R | 57.4 | Low | 68.8 | Low | 201 Ų | 201 | 89.2 Ų | 89.2 | 76% | 0.758 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | 143.6 | 170.3 | -60.6 | -174 | -177.8 | -170.2 | 0 | 109.8 | E15 G18 | E15-R20 HydrophobicContact CG-CG 4.4Å; G18-R20 PolarHBondContact O-N 3.41Å |
| 21 | G | 66.6 | Low | 70.7 | Confident | 32 Ų | 32 | 81.8 Ų | 81.8 | 33% | 0.33 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.1 | 0.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | E23 E24 K25 | G21-E23 PolarHBondContact O-N 2.96Å; G21-E24 WeakPolarHBondContact CA-OE2 3.38Å; G21-E24 PolarHBondContact N-OE2 3.04Å; G21-E24 PolarHBondContact O-N 3.5Å; G21-K25 WeakPolarHBondContact O-CB 3.25Å; G21-K25 PolarHBondContact O-N 3.15Å |
| 22 | V | 71.3 | Confident | 72.7 | Confident | 38 Ų | 38 | 81.4 Ų | 81.4 | 23% | 0.23 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -67.2 | -38 | -173.7 | 176.4 | 0 | 0 | 0 | 0 | 112.1 | F19 K26 | F19-V22 HydrophobicContact CB-CG2 3.92Å; F19-V22 HydrophobicContact CD1-CG2 4.45Å; V22-K26 WeakPolarHBondContact O-CG 3.5Å; V22-K26 PolarHBondContact O-N 3.29Å |
| 23 | E | 80.5 | Confident | 74.6 | Confident | 58 Ų | 58 | 86.9 Ų | 86.9 | 27% | 0.271 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -76.9 | -39.6 | 179.1 | -66.8 | -175.6 | 173.6 | 0 | 0 | 110.8 | N8 G21 K25 K26 S27 | N8-E23 VanDerWaalsContact CG-OE1 3.29Å; N8-E23 PolarHBondContact ND2-OE1 3.11Å; N8-E23 PolarHBondContact ND2-OE2 2.61Å; N8-E23 PolarHBondContact OD1-OE1 3.23Å; N8-E23 VanDerWaalsContact OD1-OE1 3.13Å; G21-E23 PolarHBondContact O-N 2.96Å; E23-K25 VanDerWaalsContact C-N 3.33Å; E23-K25 PolarHBondContact O-N 3.06Å; E23-K26 PolarHBondContact O-N 2.95Å; E23-K26 VanDerWaalsContact O-N 3.15Å; E23-S27 PolarHBondContact O-N 3.16Å; E23-S27 PolarHBondContact O-OG 3.38Å |
| 24 | E | 85.7 | Confident | 76.3 | Confident | 65 Ų | 65 | 82.7 Ų | 82.7 | 30% | 0.304 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 174.8 | -63 | 83.6 | 168.2 | 0 | 0 | 111.1 | G21 K26 S27 L28 F45 F49 | G21-E24 WeakPolarHBondContact CA-OE2 3.38Å; G21-E24 PolarHBondContact N-OE2 3.04Å; G21-E24 PolarHBondContact O-N 3.5Å; E24-K26 PolarHBondContact O-N 2.88Å; E24-S27 PolarHBondContact O-N 3.21Å; E24-L28 PolarHBondContact O-N 2.92Å; E24-F45 HydrophobicContact CB-CE2 4.42Å; E24-F45 HydrophobicContact CB-CZ 4.14Å; E24-F45 VanDerWaalsContact O-CE2 3.32Å; E24-F45 WeakPolarHBondContact O-CE2 3.43Å; E24-F45 VanDerWaalsContact O-CZ 3.25Å; E24-F45 WeakPolarHBondContact O-CZ 3.37Å; E24-F49 HydrophobicContact CG-CB 4.43Å; E24-F49 HydrophobicContact CG-CD1 3.62Å; E24-F49 HydrophobicContact CG-CD2 4.45Å; E24-F49 HydrophobicContact CG-CE1 3.88Å; E24-F49 HydrophobicContact CG-CG 3.93Å; E24-F49 HydrophobicContact CG-CZ 4.39Å |
| 25 | K | 89.4 | Confident | 78.2 | Confident | 79 Ų | 79 | 82.3 Ų | 82.3 | 34% | 0.343 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -57.8 | -48.7 | 173.6 | 173.4 | -179.5 | 163.6 | 159.4 | 0 | 111.4 | G21 E23 S27 L28 E29 P52 M54 | G21-K25 WeakPolarHBondContact O-CB 3.25Å; G21-K25 PolarHBondContact O-N 3.15Å; E23-K25 VanDerWaalsContact C-N 3.33Å; E23-K25 PolarHBondContact O-N 3.06Å; K25-S27 VanDerWaalsContact C-N 3.33Å; K25-S27 PolarHBondContact O-N 2.89Å; K25-L28 PolarHBondContact O-N 2.89Å; K25-E29 WeakPolarHBondContact CE-OE1 3.38Å; K25-E29 IonicContact NZ-OE1 3.45Å; K25-E29 WeakPolarHBondContact O-CG 3.45Å; K25-E29 PolarHBondContact O-N 2.93Å; K25-P52 HydrophobicContact CB-CG 4.24Å; K25-P52 HydrophobicContact CG-CG 4.49Å; K25-M54 HydrophobicContact CD-CE 3.52Å; K25-M54 HydrophobicContact CG-CE 3.85Å |
| 26 | K | 90.7 | Very high | 80.1 | Confident | 113 Ų | 113 | 80.1 Ų | 80.1 | 49% | 0.491 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.1 | -40 | 178.5 | -72.8 | 175.8 | -178.2 | 179.7 | 0 | 111.8 | V22 E23 E24 L28 E29 I30 | V22-K26 WeakPolarHBondContact O-CG 3.5Å; V22-K26 PolarHBondContact O-N 3.29Å; E23-K26 PolarHBondContact O-N 2.95Å; E23-K26 VanDerWaalsContact O-N 3.15Å; E24-K26 PolarHBondContact O-N 2.88Å; K26-L28 VanDerWaalsContact C-N 3.35Å; K26-E29 PolarHBondContact O-N 3.4Å; K26-I30 VanDerWaalsContact O-CG1 3.3Å; K26-I30 WeakPolarHBondContact O-CG1 3.3Å; K26-I30 PolarHBondContact O-N 3.4Å |
| 27 | S | 90.1 | Very high | 82.2 | Confident | 59 Ų | 59 | 71.4 Ų | 71.4 | 41% | 0.413 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 175.2 | -65.3 | 0 | 0 | 0 | 0 | 111.5 | E23 E24 K25 I30 L31 | E23-S27 PolarHBondContact O-N 3.16Å; E23-S27 PolarHBondContact O-OG 3.38Å; E24-S27 PolarHBondContact O-N 3.21Å; K25-S27 VanDerWaalsContact C-N 3.33Å; K25-S27 PolarHBondContact O-N 2.89Å; S27-I30 PolarHBondContact O-N 2.94Å; S27-L31 WeakPolarHBondContact O-CG 3.31Å; S27-L31 PolarHBondContact O-N 3.15Å; S27-L31 VanDerWaalsContact O-N 3.15Å |
| 28 | L | 94.9 | Very high | 84.2 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 174.5 | -177.2 | 60.3 | 0 | 0 | 0 | 111.9 | E24 K25 K26 I30 L31 L32 L42 F45 L51 P52 Y55 V59 | E24-L28 PolarHBondContact O-N 2.92Å; K25-L28 PolarHBondContact O-N 2.89Å; K26-L28 VanDerWaalsContact C-N 3.35Å; L28-I30 PolarHBondContact O-N 3.49Å; L28-L31 WeakPolarHBondContact O-CB 3.25Å; L28-L31 PolarHBondContact O-N 3.27Å; L28-L31 VanDerWaalsContact O-N 3.08Å; L28-L32 HydrophobicContact CD1-CD1 4.36Å; L28-L32 HydrophobicContact CD1-CG 4.2Å; L28-L32 HydrophobicContact CG-CD1 3.97Å; L28-L32 HydrophobicContact CG-CG 4.25Å; L28-L32 WeakPolarHBondContact O-CG 3.48Å; L28-L32 PolarHBondContact O-N 3.24Å; L28-L42 HydrophobicContact CD1-CD2 3.73Å; L28-F45 HydrophobicContact CB-CE1 3.95Å; L28-F45 HydrophobicContact CB-CE2 4.1Å; L28-F45 HydrophobicContact CB-CZ 3.72Å; L28-F45 HydrophobicContact CD1-CD1 3.99Å; L28-F45 HydrophobicContact CD1-CE1 4.13Å; L28-F45 HydrophobicContact CD1-CG 4.43Å; L28-F45 HydrophobicContact CD2-CE1 4.03Å; L28-F45 HydrophobicContact CG-CE1 4.26Å; L28-L51 HydrophobicContact CD2-CD2 4.1Å; L28-P52 HydrophobicContact CD2-CG 4.06Å; L28-Y55 HydrophobicContact CD2-CD2 3.94Å; L28-Y55 HydrophobicContact CD2-CG 4.29Å; L28-Y55 HydrophobicContact CG-CD2 4.49Å; L28-V59 HydrophobicContact CD1-CG2 4.26Å; L28-V59 HydrophobicContact CD2-CG2 4.46Å |
| 29 | E | 95.5 | Very high | 86.8 | Confident | 52 Ų | 52 | 71 Ų | 71 | 24% | 0.243 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.1 | -30.8 | 175.9 | -74.9 | 171.9 | -176.7 | 0 | 0 | 112.8 | K25 K26 K33 Y55 | K25-E29 WeakPolarHBondContact CE-OE1 3.38Å; K25-E29 IonicContact NZ-OE1 3.45Å; K25-E29 WeakPolarHBondContact O-CG 3.45Å; K25-E29 PolarHBondContact O-N 2.93Å; K26-E29 PolarHBondContact O-N 3.4Å; E29-K33 VanDerWaalsContact O-CG 3.32Å; E29-K33 WeakPolarHBondContact O-CG 3.21Å; E29-Y55 HydrophobicContact CG-CE2 3.65Å; E29-Y55 WeakPolarHBondContact CG-OH 3.42Å; E29-Y55 PolarHBondContact OE1-OH 3.01Å |
| 30 | I | 94.6 | Very high | 89.1 | Confident | 105 Ų | 105 | 72 Ų | 72 | 54% | 0.538 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69.2 | -47.3 | 172.9 | -67.9 | 162.5 | 0 | 0 | 0 | 110 | K26 S27 L28 L32 K33 | K26-I30 VanDerWaalsContact O-CG1 3.3Å; K26-I30 WeakPolarHBondContact O-CG1 3.3Å; K26-I30 PolarHBondContact O-N 3.4Å; S27-I30 PolarHBondContact O-N 2.94Å; L28-I30 PolarHBondContact O-N 3.49Å; I30-L32 VanDerWaalsContact C-N 3.26Å; I30-L32 PolarHBondContact O-N 3.08Å; I30-K33 WeakPolarHBondContact O-CB 3.36Å; I30-K33 PolarHBondContact O-N 2.97Å; I30-K33 VanDerWaalsContact O-N 3.13Å |
| 31 | L | 94.1 | Very high | 91 | Very high | 28 Ų | 28 | 67.3 Ų | 67.3 | 15% | 0.147 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.4 | -36.4 | 177.6 | -64.8 | 176.8 | 0 | 0 | 0 | 112.5 | S27 L28 K33 D34 K41 L42 F45 | S27-L31 WeakPolarHBondContact O-CG 3.31Å; S27-L31 PolarHBondContact O-N 3.15Å; S27-L31 VanDerWaalsContact O-N 3.15Å; L28-L31 WeakPolarHBondContact O-CB 3.25Å; L28-L31 PolarHBondContact O-N 3.27Å; L28-L31 VanDerWaalsContact O-N 3.08Å; L31-K33 PolarHBondContact O-N 3.43Å; L31-D34 PolarHBondContact O-N 3.34Å; L31-K41 HydrophobicContact CD1-CB 4.36Å; L31-K41 HydrophobicContact CD2-CB 3.83Å; L31-K41 HydrophobicContact CD2-CD 3.72Å; L31-K41 HydrophobicContact CD2-CG 4.41Å; L31-L42 HydrophobicContact CB-CD2 4.05Å; L31-L42 HydrophobicContact CD1-CD2 4.35Å; L31-F45 HydrophobicContact CD1-CB 4Å; L31-F45 HydrophobicContact CD1-CD2 4.25Å; L31-F45 HydrophobicContact CD1-CG 4.28Å |
| 32 | L | 95.8 | Very high | 92.4 | Very high | 34 Ų | 34 | 65.8 Ų | 65.8 | 18% | 0.178 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -8 | 179.9 | -67.8 | 176.8 | 0 | 0 | 0 | 114 | L28 I30 L37 L42 Y55 V59 | L28-L32 HydrophobicContact CD1-CD1 4.36Å; L28-L32 HydrophobicContact CD1-CG 4.2Å; L28-L32 HydrophobicContact CG-CD1 3.97Å; L28-L32 HydrophobicContact CG-CG 4.25Å; L28-L32 WeakPolarHBondContact O-CG 3.48Å; L28-L32 PolarHBondContact O-N 3.24Å; I30-L32 VanDerWaalsContact C-N 3.26Å; I30-L32 PolarHBondContact O-N 3.08Å; L32-L37 HydrophobicContact CD2-CD2 4.3Å; L32-L42 HydrophobicContact CD2-CD2 4.09Å; L32-Y55 HydrophobicContact CD1-CD1 3.73Å; L32-Y55 HydrophobicContact CD1-CD2 4.22Å; L32-Y55 HydrophobicContact CD1-CE1 4.14Å; L32-Y55 HydrophobicContact CD1-CG 3.81Å; L32-V59 HydrophobicContact CD2-CG2 4.25Å |
| 33 | K | 94.9 | Very high | 93.6 | Very high | 164 Ų | 164 | 65.1 Ų | 65.1 | 71% | 0.713 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -14.8 | 174 | -73.6 | 169.3 | -174.8 | -179.9 | 0 | 113.1 | E29 I30 L31 | E29-K33 VanDerWaalsContact O-CG 3.32Å; E29-K33 WeakPolarHBondContact O-CG 3.21Å; I30-K33 WeakPolarHBondContact O-CB 3.36Å; I30-K33 PolarHBondContact O-N 2.97Å; I30-K33 VanDerWaalsContact O-N 3.13Å; L31-K33 PolarHBondContact O-N 3.43Å |
| 34 | D | 94.1 | Very high | 94.2 | Very high | 62 Ų | 62 | 66 Ų | 66 | 33% | 0.332 | 33% | 0.334 | S | S | . | . | trans | -67.8 | 144.1 | 177.7 | -68.8 | -16.5 | 0 | 0 | 0 | 110.4 | L31 L37 | L31-D34 PolarHBondContact O-N 3.34Å; D34-L37 WeakPolarHBondContact O-CD2 3.36Å | ||
| 35 | N | 93.3 | Very high | 94.6 | Very high | 70 Ų | 70 | 63.7 Ų | 63.7 | 37% | 0.374 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -143.2 | 107.7 | 174 | -175 | 22.2 | 0 | 0 | 0 | 109 | H70 S71 D72 | N35-H70 WeakPolarHBondContact OD1-CA 3.48Å; N35-S71 PolarHBondContact OD1-N 3.02Å; N35-D72 VanDerWaalsContact ND2-CG 3.27Å; N35-D72 PolarHBondContact ND2-OD1 3.49Å; N35-D72 PolarHBondContact ND2-OD2 3.3Å |
| 36 | P | 96.2 | Very high | 94.9 | Very high | 71 Ų | 71 | 59.9 Ų | 59.9 | 46% | 0.461 | 31% | 0.306 | S | S | . | . | S | Bend | cis | -68.3 | 151.9 | 2.3 | 28.7 | -34.9 | 0 | 0 | 0 | 113.7 | P69 | P36-P69 HydrophobicContact CB-CB 3.9Š|
| 37 | L | 97.5 | Very high | 95 | Very high | 8 Ų | 8 | 57.6 Ų | 57.6 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | trans | -61.9 | 134.8 | 171.3 | -66.7 | 171.4 | 0 | 0 | 0 | 111.1 | L32 D34 L39 L42 V62 P69 | L32-L37 HydrophobicContact CD2-CD2 4.3Å; D34-L37 WeakPolarHBondContact O-CD2 3.36Å; L37-L39 PolarHBondContact O-N 3.02Å; L37-L42 HydrophobicContact CB-CD1 4.15Å; L37-V62 HydrophobicContact CD1-CB 4.49Å; L37-V62 HydrophobicContact CD1-CG1 3.94Å; L37-V62 HydrophobicContact CD1-CG2 3.79Å; L37-P69 HydrophobicContact CB-CB 4.44Å; L37-P69 WeakPolarHBondContact CB-O 3.24Å; L37-P69 WeakPolarHBondContact CG-O 3.39Å; L37-P69 PolarHBondContact N-O 2.74Å | ||
| 38 | D | 97 | Very high | 95.1 | Very high | 49 Ų | 49 | 62.9 Ų | 62.9 | 26% | 0.262 | 31% | 0.308 | S | S | . | . | trans | -82.7 | 98.1 | 176.7 | -171 | -34 | 0 | 0 | 0 | 110.8 | E40 K41 L42 | D38-E40 VanDerWaalsContact C-N 3.27Å; D38-E40 PolarHBondContact O-N 3.3Å; D38-E40 PolarHBondContact OD1-N 2.77Å; D38-E40 VanDerWaalsContact OD1-N 3.14Å; D38-K41 HydrophobicContact CB-CB 4.04Å; D38-K41 HydrophobicContact CB-CD 4.05Å; D38-K41 HydrophobicContact CB-CG 4.18Å; D38-K41 VanDerWaalsContact CG-CG 3.47Å; D38-K41 PolarHBondContact O-N 3.21Å; D38-K41 PolarHBondContact OD1-N 2.93Å; D38-K41 WeakPolarHBondContact OD2-CD 3.34Å; D38-K41 WeakPolarHBondContact OD2-CE 3.49Å; D38-K41 WeakPolarHBondContact OD2-CG 3.17Å; D38-K41 IonicContact OD2-NZ 2.74Å; D38-K41 PolarHBondContact OD2-NZ 3.24Å; D38-L42 WeakPolarHBondContact O-CG 3.4Å; D38-L42 PolarHBondContact O-N 2.9Å | ||
| 39 | L | 96.5 | Very high | 94.9 | Very high | 72 Ų | 72 | 65.4 Ų | 65.4 | 38% | 0.377 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.4 | -33.8 | -177.9 | -60.5 | -175.3 | 0 | 0 | 0 | 112.9 | L37 S43 V62 P69 | L37-L39 PolarHBondContact O-N 3.02Å; L39-S43 WeakPolarHBondContact O-CB 3.45Å; L39-S43 PolarHBondContact O-N 3.06Å; L39-V62 HydrophobicContact CD2-CG1 3.32Å; L39-P69 HydrophobicContact CD1-CG 4.04Å; L39-P69 HydrophobicContact CD2-CG 4.27Å; L39-P69 HydrophobicContact CG-CG 4.16Å |
| 40 | E | 96.1 | Very high | 94.7 | Very high | 151 Ų | 151 | 66.6 Ų | 66.6 | 71% | 0.706 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -71.2 | -43.1 | -179.2 | -172.8 | 177.1 | 179.4 | 0 | 0 | 110.5 | D38 S43 T44 | D38-E40 VanDerWaalsContact C-N 3.27Å; D38-E40 PolarHBondContact O-N 3.3Å; D38-E40 PolarHBondContact OD1-N 2.77Å; D38-E40 VanDerWaalsContact OD1-N 3.14Å; E40-S43 PolarHBondContact O-N 3.09Å; E40-T44 WeakPolarHBondContact O-CB 3.29Å; E40-T44 PolarHBondContact O-N 3.5Å; E40-T44 PolarHBondContact O-OG1 3.47Å |
| 41 | K | 95.5 | Very high | 94.7 | Very high | 103 Ų | 103 | 62 Ų | 62 | 45% | 0.448 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.4 | -41.9 | 173.4 | -70.2 | -178 | -169.8 | 126.3 | 0 | 112.2 | L31 D38 S43 T44 F45 | L31-K41 HydrophobicContact CD1-CB 4.36Å; L31-K41 HydrophobicContact CD2-CB 3.83Å; L31-K41 HydrophobicContact CD2-CD 3.72Å; L31-K41 HydrophobicContact CD2-CG 4.41Å; D38-K41 HydrophobicContact CB-CB 4.04Å; D38-K41 HydrophobicContact CB-CD 4.05Å; D38-K41 HydrophobicContact CB-CG 4.18Å; D38-K41 VanDerWaalsContact CG-CG 3.47Å; D38-K41 PolarHBondContact O-N 3.21Å; D38-K41 PolarHBondContact OD1-N 2.93Å; D38-K41 WeakPolarHBondContact OD2-CD 3.34Å; D38-K41 WeakPolarHBondContact OD2-CE 3.49Å; D38-K41 WeakPolarHBondContact OD2-CG 3.17Å; D38-K41 IonicContact OD2-NZ 2.74Å; D38-K41 PolarHBondContact OD2-NZ 3.24Å; K41-S43 VanDerWaalsContact C-N 3.34Å; K41-T44 PolarHBondContact O-N 2.97Å; K41-F45 VanDerWaalsContact O-CB 3.3Å; K41-F45 WeakPolarHBondContact O-CB 3.33Å; K41-F45 PolarHBondContact O-N 2.72Å |
| 42 | L | 96.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63 | -41.7 | 176.4 | -75.4 | 175.3 | 0 | 0 | 0 | 111.8 | L28 L31 L32 L37 D38 S46 V62 L63 | L28-L42 HydrophobicContact CD1-CD2 3.73Å; L31-L42 HydrophobicContact CB-CD2 4.05Å; L31-L42 HydrophobicContact CD1-CD2 4.35Å; L32-L42 HydrophobicContact CD2-CD2 4.09Å; L37-L42 HydrophobicContact CB-CD1 4.15Å; D38-L42 WeakPolarHBondContact O-CG 3.4Å; D38-L42 PolarHBondContact O-N 2.9Å; L42-S46 VanDerWaalsContact O-CB 3.31Å; L42-S46 WeakPolarHBondContact O-CB 3.39Å; L42-S46 PolarHBondContact O-N 2.89Å; L42-S46 PolarHBondContact O-OG 3.19Å; L42-V62 HydrophobicContact CD1-CG1 4.14Å; L42-L63 HydrophobicContact CB-CD2 4.11Å |
| 43 | S | 95.9 | Very high | 94.7 | Very high | 24 Ų | 24 | 64.7 Ų | 64.7 | 17% | 0.168 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.1 | -51.9 | 173.7 | 178.1 | 0 | 0 | 0 | 0 | 111 | L39 E40 K41 F45 S46 Q47 S230 | L39-S43 WeakPolarHBondContact O-CB 3.45Å; L39-S43 PolarHBondContact O-N 3.06Å; E40-S43 PolarHBondContact O-N 3.09Å; K41-S43 VanDerWaalsContact C-N 3.34Å; S43-F45 VanDerWaalsContact C-N 3.32Å; S43-F45 PolarHBondContact O-N 3.01Å; S43-S46 CarbonylContact O-C 3.11Å; S43-S46 WeakPolarHBondContact O-CB 3.45Å; S43-S46 PolarHBondContact O-N 2.89Å; S43-S46 VanDerWaalsContact O-N 3.09Å; S43-Q47 WeakPolarHBondContact O-CG 3.39Å; S43-Q47 PolarHBondContact O-N 3.06Å; S43-S230 PolarHBondContact OG-O 3.16Å |
| 44 | T | 94.1 | Very high | 94.6 | Very high | 76 Ų | 76 | 61.9 Ų | 61.9 | 47% | 0.466 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.7 | -41.9 | 179.2 | -57.9 | 0 | 0 | 0 | 0 | 112 | E40 K41 Q47 R48 | E40-T44 WeakPolarHBondContact O-CB 3.29Å; E40-T44 PolarHBondContact O-N 3.5Å; E40-T44 PolarHBondContact O-OG1 3.47Å; K41-T44 PolarHBondContact O-N 2.97Å; T44-Q47 PolarHBondContact O-N 2.85Å; T44-R48 WeakPolarHBondContact O-CB 3.33Å; T44-R48 PolarHBondContact O-N 2.96Å |
| 45 | F | 95 | Very high | 94.8 | Very high | 16 Ų | 16 | 61.9 Ų | 61.9 | 7% | 0.07 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.4 | -50.5 | 173.8 | -178.9 | -83.5 | 0 | 0 | 0 | 110.8 | E24 L28 L31 K41 S43 Q47 R48 F49 L51 | E24-F45 HydrophobicContact CB-CE2 4.42Å; E24-F45 HydrophobicContact CB-CZ 4.14Å; E24-F45 VanDerWaalsContact O-CE2 3.32Å; E24-F45 WeakPolarHBondContact O-CE2 3.43Å; E24-F45 VanDerWaalsContact O-CZ 3.25Å; E24-F45 WeakPolarHBondContact O-CZ 3.37Å; L28-F45 HydrophobicContact CB-CE1 3.95Å; L28-F45 HydrophobicContact CB-CE2 4.1Å; L28-F45 HydrophobicContact CB-CZ 3.72Å; L28-F45 HydrophobicContact CD1-CD1 3.99Å; L28-F45 HydrophobicContact CD1-CE1 4.13Å; L28-F45 HydrophobicContact CD1-CG 4.43Å; L28-F45 HydrophobicContact CD2-CE1 4.03Å; L28-F45 HydrophobicContact CG-CE1 4.26Å; L31-F45 HydrophobicContact CD1-CB 4Å; L31-F45 HydrophobicContact CD1-CD2 4.25Å; L31-F45 HydrophobicContact CD1-CG 4.28Å; K41-F45 VanDerWaalsContact O-CB 3.3Å; K41-F45 WeakPolarHBondContact O-CB 3.33Å; K41-F45 PolarHBondContact O-N 2.72Å; S43-F45 VanDerWaalsContact C-N 3.32Å; S43-F45 PolarHBondContact O-N 3.01Å; F45-Q47 VanDerWaalsContact C-N 3.26Å; F45-Q47 PolarHBondContact O-N 3.39Å; F45-R48 PolarHBondContact O-N 3.04Å; F45-R48 VanDerWaalsContact O-N 3.09Å; F45-F49 AromaticContact CD2-CD2 3.87Å; F45-F49 HydrophobicContact CD2-CD2 3.87Å; F45-F49 HydrophobicContact CD2-CE2 4.47Å; F45-F49 HydrophobicContact CE1-CB 4.15Å; F45-F49 HydrophobicContact CE2-CB 4.49Å; F45-F49 AromaticContact CE2-CD2 3.77Å; F45-F49 HydrophobicContact CE2-CD2 3.77Å; F45-F49 HydrophobicContact CE2-CE2 4.45Å; F45-F49 HydrophobicContact CE2-CG 4.45Å; F45-F49 HydrophobicContact CG-CD2 4.39Å; F45-F49 HydrophobicContact CZ-CB 4.06Å; F45-F49 HydrophobicContact CZ-CD2 4.2Å; F45-F49 HydrophobicContact CZ-CG 4.47Å; F45-F49 PolarHBondContact O-N 3.01Å; F45-L51 HydrophobicContact CD1-CD2 4.03Å; F45-L51 HydrophobicContact CE1-CD2 4.02Å |
| 46 | S | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.2 | -28.9 | -179.3 | -57.6 | 0 | 0 | 0 | 0 | 112.5 | L42 S43 F49 K227 | L42-S46 VanDerWaalsContact O-CB 3.31Å; L42-S46 WeakPolarHBondContact O-CB 3.39Å; L42-S46 PolarHBondContact O-N 2.89Å; L42-S46 PolarHBondContact O-OG 3.19Å; S43-S46 CarbonylContact O-C 3.11Å; S43-S46 WeakPolarHBondContact O-CB 3.45Å; S43-S46 PolarHBondContact O-N 2.89Å; S43-S46 VanDerWaalsContact O-N 3.09Å; S46-F49 VanDerWaalsContact O-O 3.12Å; S46-K227 WeakPolarHBondContact O-CD 3.23Å; S46-K227 WeakPolarHBondContact O-CE 3.46Å; S46-K227 PolarHBondContact O-NZ 2.84Å |
| 47 | Q | 93 | Very high | 95.1 | Very high | 64 Ų | 64 | 57.3 Ų | 57.3 | 30% | 0.299 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70.7 | -40.7 | 172.1 | -73 | -179.2 | 5.2 | 0 | 0 | 111.3 | S43 T44 F45 K227 S230 W283 | S43-Q47 WeakPolarHBondContact O-CG 3.39Å; S43-Q47 PolarHBondContact O-N 3.06Å; T44-Q47 PolarHBondContact O-N 2.85Å; F45-Q47 VanDerWaalsContact C-N 3.26Å; F45-Q47 PolarHBondContact O-N 3.39Å; Q47-K227 PolarHBondContact O-NZ 2.81Å; Q47-S230 WeakPolarHBondContact CG-OG 3.39Å; Q47-S230 PolarHBondContact NE2-O 3.31Å; Q47-W283 HydrophobicContact CB-CH2 3.98Å; Q47-W283 HydrophobicContact CG-CH2 4.16Å; Q47-W283 WeakPolarHBondContact O-CZ3 3.45Å |
| 48 | R | 90.3 | Very high | 95.1 | Very high | 170 Ų | 170 | 59.6 Ų | 59.6 | 64% | 0.642 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -81.6 | -39.8 | -175.7 | -169.9 | 170.4 | 175.5 | 179.5 | -1 | 114.1 | T44 F45 Q284 | T44-R48 WeakPolarHBondContact O-CB 3.33Å; T44-R48 PolarHBondContact O-N 2.96Å; F45-R48 PolarHBondContact O-N 3.04Å; F45-R48 VanDerWaalsContact O-N 3.09Å; R48-Q284 PolarHBondContact O-NE2 2.64Å |
| 49 | F | 91.1 | Very high | 95.2 | Very high | 53 Ų | 53 | 57.3 Ų | 57.3 | 23% | 0.232 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -124.6 | 152.6 | -171.4 | -55.9 | -69.2 | 0 | 0 | 0 | 111.3 | E24 F45 S46 K227 | E24-F49 HydrophobicContact CG-CB 4.43Å; E24-F49 HydrophobicContact CG-CD1 3.62Å; E24-F49 HydrophobicContact CG-CD2 4.45Å; E24-F49 HydrophobicContact CG-CE1 3.88Å; E24-F49 HydrophobicContact CG-CG 3.93Å; E24-F49 HydrophobicContact CG-CZ 4.39Å; F45-F49 AromaticContact CD2-CD2 3.87Å; F45-F49 HydrophobicContact CD2-CD2 3.87Å; F45-F49 HydrophobicContact CD2-CE2 4.47Å; F45-F49 HydrophobicContact CE1-CB 4.15Å; F45-F49 HydrophobicContact CE2-CB 4.49Å; F45-F49 AromaticContact CE2-CD2 3.77Å; F45-F49 HydrophobicContact CE2-CD2 3.77Å; F45-F49 HydrophobicContact CE2-CE2 4.45Å; F45-F49 HydrophobicContact CE2-CG 4.45Å; F45-F49 HydrophobicContact CG-CD2 4.39Å; F45-F49 HydrophobicContact CZ-CB 4.06Å; F45-F49 HydrophobicContact CZ-CD2 4.2Å; F45-F49 HydrophobicContact CZ-CG 4.47Å; F45-F49 PolarHBondContact O-N 3.01Å; S46-F49 VanDerWaalsContact O-O 3.12Å; F49-K227 PolarHBondContact O-NZ 3.27Å |
| 50 | P | 91.9 | Very high | 95.3 | Very high | 78 Ų | 78 | 53.9 Ų | 53.9 | 51% | 0.506 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 144.4 | 168.9 | 30.1 | -33.4 | 0 | 0 | 0 | 110.2 | ||
| 51 | L | 95.3 | Very high | 95.4 | Very high | 7 Ų | 7 | 48.1 Ų | 48.1 | 4% | 0.037 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -73.3 | 137.5 | 177.8 | -67.6 | 177.7 | 0 | 0 | 0 | 111.2 | L28 F45 S53 R56 V59 D226 | L28-L51 HydrophobicContact CD2-CD2 4.1Å; F45-L51 HydrophobicContact CD1-CD2 4.03Å; F45-L51 HydrophobicContact CE1-CD2 4.02Å; L51-S53 PolarHBondContact O-N 3.12Å; L51-R56 HydrophobicContact CB-CB 4.29Å; L51-R56 HydrophobicContact CD1-CG 4.43Å; L51-R56 PolarHBondContact O-NH2 2.91Å; L51-V59 HydrophobicContact CD1-CB 3.95Å; L51-V59 HydrophobicContact CD1-CG1 3.74Å; L51-V59 HydrophobicContact CD2-CB 4.47Å; L51-V59 HydrophobicContact CD2-CG1 4.11Å; L51-V59 HydrophobicContact CD2-CG2 4.39Å; L51-D226 HydrophobicContact CD1-CB 4.47Å; L51-D226 WeakPolarHBondContact CD1-OD1 3.36Å; L51-D226 HydrophobicContact CG-CB 4.46Å; L51-D226 PolarHBondContact N-OD2 3.25Å; L51-D226 VanDerWaalsContact N-OD2 3.09Å |
| 52 | P | 95.4 | Very high | 95.5 | Very high | 28 Ų | 28 | 43.4 Ų | 43.4 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -60.2 | 134.2 | 165.5 | -22.1 | 33.5 | 0 | 0 | 0 | 110.5 | K25 L28 M54 Y55 R56 | K25-P52 HydrophobicContact CB-CG 4.24Å; K25-P52 HydrophobicContact CG-CG 4.49Å; L28-P52 HydrophobicContact CD2-CG 4.06Å; P52-M54 VanDerWaalsContact C-N 3.28Å; P52-M54 HydrophobicContact CB-CE 4.15Å; P52-M54 PolarHBondContact O-N 3.28Å; P52-M54 VanDerWaalsContact O-N 3.15Å; P52-Y55 HydrophobicContact CB-CD2 4.23Å; P52-Y55 HydrophobicContact CG-CD2 4.4Å; P52-Y55 PolarHBondContact O-N 3.34Å; P52-R56 PolarHBondContact O-N 2.88Å; P52-R56 VanDerWaalsContact O-N 3.13Å |
| 53 | S | 92.8 | Very high | 95.6 | Very high | 92 Ų | 92 | 44.6 Ų | 44.6 | 64% | 0.643 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -53.9 | -41.5 | -172.1 | -52.6 | 0 | 0 | 0 | 0 | 113.8 | L51 Y55 R56 | L51-S53 PolarHBondContact O-N 3.12Å; S53-Y55 PolarHBondContact O-N 2.89Å; S53-R56 PolarHBondContact O-N 3.35Å |
| 54 | M | 94.7 | Very high | 95.7 | Very high | 104 Ų | 104 | 43.7 Ų | 43.7 | 51% | 0.512 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.9 | -19.9 | 179.2 | 68.3 | -167.2 | 171.4 | 0 | 0 | 114.8 | K25 P52 | K25-M54 HydrophobicContact CD-CE 3.52Å; K25-M54 HydrophobicContact CG-CE 3.85Å; P52-M54 VanDerWaalsContact C-N 3.28Å; P52-M54 HydrophobicContact CB-CE 4.15Å; P52-M54 PolarHBondContact O-N 3.28Å; P52-M54 VanDerWaalsContact O-N 3.15Å |
| 55 | Y | 97.2 | Very high | 95.8 | Very high | 62 Ų | 62 | 42.7 Ų | 42.7 | 24% | 0.243 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -108.6 | -10.4 | 179.4 | -64 | -49.4 | 0 | 0 | 0 | 113.2 | L28 E29 L32 P52 S53 I57 H58 V59 | L28-Y55 HydrophobicContact CD2-CD2 3.94Å; L28-Y55 HydrophobicContact CD2-CG 4.29Å; L28-Y55 HydrophobicContact CG-CD2 4.49Å; E29-Y55 HydrophobicContact CG-CE2 3.65Å; E29-Y55 WeakPolarHBondContact CG-OH 3.42Å; E29-Y55 PolarHBondContact OE1-OH 3.01Å; L32-Y55 HydrophobicContact CD1-CD1 3.73Å; L32-Y55 HydrophobicContact CD1-CD2 4.22Å; L32-Y55 HydrophobicContact CD1-CE1 4.14Å; L32-Y55 HydrophobicContact CD1-CG 3.81Å; P52-Y55 HydrophobicContact CB-CD2 4.23Å; P52-Y55 HydrophobicContact CG-CD2 4.4Å; P52-Y55 PolarHBondContact O-N 3.34Å; S53-Y55 PolarHBondContact O-N 2.89Å; Y55-I57 PolarHBondContact O-N 3.35Å; Y55-H58 PolarHBondContact O-N 2.65Å; Y55-V59 WeakPolarHBondContact O-CG2 3.38Å; Y55-V59 PolarHBondContact O-N 3.37Å |
| 56 | R | 97.9 | Very high | 95.9 | Very high | 8 Ų | 8 | 42.2 Ų | 42.2 | 3% | 0.03 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -53.9 | -55.1 | -174.1 | 177 | 171 | -75.7 | 102 | 10.6 | 112.1 | L51 P52 S53 H58 V59 W60 Q222 D226 | L51-R56 HydrophobicContact CB-CB 4.29Å; L51-R56 HydrophobicContact CD1-CG 4.43Å; L51-R56 PolarHBondContact O-NH2 2.91Å; P52-R56 PolarHBondContact O-N 2.88Å; P52-R56 VanDerWaalsContact O-N 3.13Å; S53-R56 PolarHBondContact O-N 3.35Å; R56-H58 VanDerWaalsContact C-N 3.32Å; R56-H58 PolarHBondContact O-N 2.97Å; R56-V59 PolarHBondContact O-N 3.37Å; R56-W60 HydrophobicContact CG-CD2 3.94Å; R56-W60 HydrophobicContact CG-CE3 4.5Å; R56-W60 HydrophobicContact CG-CG 4.33Å; R56-W60 HydrophobicContact CG-CH2 4.42Å; R56-W60 HydrophobicContact CG-CZ2 3.84Å; R56-W60 WeakPolarHBondContact O-CB 3.47Å; R56-W60 PolarHBondContact O-N 3.15Å; R56-Q222 VanDerWaalsContact CZ-OE1 3.29Å; R56-D226 IonicContact CZ-OD1 3.89Å; R56-D226 IonicContact CZ-OD2 3.03Å; R56-D226 IonicContact NE-OD1 3.87Å; R56-D226 PolarHBondContact NE-OD1 3.31Å; R56-D226 IonicContact NE-OD2 3.79Å; R56-D226 IonicContact NH2-OD1 2.71Å; R56-D226 IonicContact NH2-OD2 2.83Å; R56-D226 PolarHBondContact NH2-OD2 3.15Å |
| 57 | I | 98.2 | Very high | 96.1 | Very high | 37 Ų | 37 | 42.8 Ų | 42.8 | 19% | 0.19 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.8 | -42.5 | -177 | -55.7 | -45 | 0 | 0 | 0 | 111 | Y55 W60 K61 I145 V146 D151 L155 | Y55-I57 PolarHBondContact O-N 3.35Å; I57-W60 HydrophobicContact CD1-CE3 4.42Å; I57-W60 PolarHBondContact O-N 2.49Å; I57-K61 HydrophobicContact CG2-CD 4.43Å; I57-K61 WeakPolarHBondContact O-CB 3.48Å; I57-K61 VanDerWaalsContact O-CG 3.3Å; I57-K61 WeakPolarHBondContact O-CG 3.5Å; I57-K61 PolarHBondContact O-N 3.26Å; I57-I145 HydrophobicContact CD1-CG2 4.33Å; I57-V146 HydrophobicContact CD1-CG2 3.71Å; I57-D151 HydrophobicContact CG2-CB 4.44Å; I57-L155 HydrophobicContact CD1-CD1 4.35Å; I57-L155 HydrophobicContact CG2-CD1 4.09Å |
| 58 | H | 98.2 | Very high | 96.3 | Very high | 57 Ų | 57 | 41.4 Ų | 41.4 | 26% | 0.264 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62 | -48.5 | 177.4 | -176.7 | 76.7 | 0 | 0 | 0 | 112.2 | Y55 R56 W60 K61 V62 H74 | Y55-H58 PolarHBondContact O-N 2.65Å; R56-H58 VanDerWaalsContact C-N 3.32Å; R56-H58 PolarHBondContact O-N 2.97Å; H58-W60 PolarHBondContact O-N 3.17Å; H58-K61 PolarHBondContact O-N 2.95Å; H58-V62 WeakPolarHBondContact O-CG2 3.33Å; H58-V62 PolarHBondContact O-N 3.23Å; H58-V62 VanDerWaalsContact O-N 3.09Å; H58-H74 AromaticContact CE1-CE1 3.46Å; H58-H74 PolarHBondContact CE1-CE1 3.02Å; H58-H74 VanDerWaalsContact CE1-CE1 3.46Å; H58-H74 AromaticContact CE1-ND1 3.38Å; H58-H74 PolarHBondContact CE1-ND1 3.12Å; H58-H74 AromaticContact NE2-CE1 3.92Å |
| 59 | V | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.2 | -42.8 | 178.4 | 172.6 | 0 | 0 | 0 | 0 | 111 | L28 L32 L51 Y55 R56 K61 V62 L63 | L28-V59 HydrophobicContact CD1-CG2 4.26Å; L28-V59 HydrophobicContact CD2-CG2 4.46Å; L32-V59 HydrophobicContact CD2-CG2 4.25Å; L51-V59 HydrophobicContact CD1-CB 3.95Å; L51-V59 HydrophobicContact CD1-CG1 3.74Å; L51-V59 HydrophobicContact CD2-CB 4.47Å; L51-V59 HydrophobicContact CD2-CG1 4.11Å; L51-V59 HydrophobicContact CD2-CG2 4.39Å; Y55-V59 WeakPolarHBondContact O-CG2 3.38Å; Y55-V59 PolarHBondContact O-N 3.37Å; R56-V59 PolarHBondContact O-N 3.37Å; V59-K61 PolarHBondContact O-N 3.47Å; V59-V62 PolarHBondContact O-N 2.96Å; V59-L63 HydrophobicContact CG1-CD1 3.76Å; V59-L63 HydrophobicContact CG1-CG 4.17Å; V59-L63 WeakPolarHBondContact O-CB 3.43Å; V59-L63 WeakPolarHBondContact O-CG 3.01Å; V59-L63 PolarHBondContact O-N 2.94Å |
| 60 | W | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.5 | -44.9 | 175.7 | -74.1 | 9.1 | 0 | 0 | 0 | 111.7 | R56 I57 H58 V62 L63 L64 M142 I145 L155 Q222 W225 D226 I229 | R56-W60 HydrophobicContact CG-CD2 3.94Å; R56-W60 HydrophobicContact CG-CE3 4.5Å; R56-W60 HydrophobicContact CG-CG 4.33Å; R56-W60 HydrophobicContact CG-CH2 4.42Å; R56-W60 HydrophobicContact CG-CZ2 3.84Å; R56-W60 WeakPolarHBondContact O-CB 3.47Å; R56-W60 PolarHBondContact O-N 3.15Å; I57-W60 HydrophobicContact CD1-CE3 4.42Å; I57-W60 PolarHBondContact O-N 2.49Å; H58-W60 PolarHBondContact O-N 3.17Å; W60-V62 VanDerWaalsContact C-N 3.29Å; W60-V62 PolarHBondContact O-N 3.36Å; W60-L63 PolarHBondContact O-N 3.15Å; W60-L64 WeakPolarHBondContact O-CB 3.41Å; W60-L64 WeakPolarHBondContact O-CG 3.27Å; W60-L64 PolarHBondContact O-N 2.99Å; W60-M142 HydrophobicContact CE3-SD 4.26Å; W60-M142 HydrophobicContact CZ3-SD 3.67Å; W60-I145 HydrophobicContact CH2-CD1 4.39Å; W60-I145 HydrophobicContact CH2-CG2 4.19Å; W60-I145 HydrophobicContact CZ3-CG2 4.1Å; W60-L155 HydrophobicContact CB-CD2 3.75Å; W60-L155 HydrophobicContact CE3-CD1 4.38Å; W60-L155 HydrophobicContact CE3-CD2 4.32Å; W60-Q222 HydrophobicContact CH2-CB 4.2Å; W60-Q222 HydrophobicContact CZ2-CB 4.36Å; W60-W225 HydrophobicContact CH2-CB 3.91Å; W60-W225 AromaticContact CH2-CE3 3.95Å; W60-W225 HydrophobicContact CH2-CE3 3.95Å; W60-W225 HydrophobicContact CZ2-CB 3.81Å; W60-W225 HydrophobicContact CZ3-CE3 4.24Å; W60-D226 WeakPolarHBondContact CZ2-OD1 3.38Å; W60-D226 PolarHBondContact NE1-OD1 2.91Å; W60-I229 HydrophobicContact CB-CD1 4.25Å; W60-I229 HydrophobicContact CD2-CD1 3.3Å; W60-I229 VanDerWaalsContact CE2-CD1 3.46Å; W60-I229 HydrophobicContact CE3-CD1 3.73Å; W60-I229 HydrophobicContact CG-CD1 3.57Å; W60-I229 HydrophobicContact CG-CG2 4.38Å; W60-I229 HydrophobicContact CH2-CD1 4.34Å; W60-I229 HydrophobicContact CZ2-CD1 3.98Å; W60-I229 HydrophobicContact CZ3-CD1 4.23Å |
| 61 | K | 98.6 | Very high | 97.1 | Very high | 30 Ų | 30 | 35.5 Ų | 35.5 | 13% | 0.13 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.1 | -40.1 | 176.9 | -74.2 | -170.4 | -58.6 | -166.6 | 0 | 112.7 | I57 H58 V59 G65 I66 L67 D151 L155 | I57-K61 HydrophobicContact CG2-CD 4.43Å; I57-K61 WeakPolarHBondContact O-CB 3.48Å; I57-K61 VanDerWaalsContact O-CG 3.3Å; I57-K61 WeakPolarHBondContact O-CG 3.5Å; I57-K61 PolarHBondContact O-N 3.26Å; H58-K61 PolarHBondContact O-N 2.95Å; V59-K61 PolarHBondContact O-N 3.47Å; K61-G65 PolarHBondContact O-N 3.25Å; K61-I66 HydrophobicContact CB-CB 4.12Å; K61-I66 HydrophobicContact CB-CG2 4.46Å; K61-I66 HydrophobicContact CD-CG2 4.38Å; K61-I66 HydrophobicContact CG-CB 4.31Å; K61-I66 HydrophobicContact CG-CD1 4.11Å; K61-I66 HydrophobicContact CG-CG2 4.3Å; K61-I66 WeakPolarHBondContact O-CA 3.48Å; K61-I66 WeakPolarHBondContact O-CB 3.06Å; K61-I66 PolarHBondContact O-N 3.46Å; K61-L67 HydrophobicContact CB-CB 4.45Å; K61-L67 HydrophobicContact CB-CD1 3.96Å; K61-L67 HydrophobicContact CB-CG 4.02Å; K61-L67 HydrophobicContact CD-CD1 4.3Å; K61-L67 PolarHBondContact O-N 3.37Å; K61-D151 HydrophobicContact CD-CB 4.48Å; K61-D151 WeakPolarHBondContact CD-OD1 3.32Å; K61-D151 IonicContact NZ-OD1 3.44Å; K61-D151 PolarHBondContact NZ-OD1 2.94Å; K61-D151 IonicContact NZ-OD2 3.73Å; K61-D151 PolarHBondContact NZ-OD2 3.34Å; K61-L155 HydrophobicContact CG-CD2 4.12Å; K61-L155 HydrophobicContact CG-CG 4.47Å |
| 62 | V | 98.2 | Very high | 97.2 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.2 | -48 | 177.6 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | L37 L39 L42 H58 V59 W60 L64 G65 L67 | L37-V62 HydrophobicContact CD1-CB 4.49Å; L37-V62 HydrophobicContact CD1-CG1 3.94Å; L37-V62 HydrophobicContact CD1-CG2 3.79Å; L39-V62 HydrophobicContact CD2-CG1 3.32Å; L42-V62 HydrophobicContact CD1-CG1 4.14Å; H58-V62 WeakPolarHBondContact O-CG2 3.33Å; H58-V62 PolarHBondContact O-N 3.23Å; H58-V62 VanDerWaalsContact O-N 3.09Å; V59-V62 PolarHBondContact O-N 2.96Å; W60-V62 VanDerWaalsContact C-N 3.29Å; W60-V62 PolarHBondContact O-N 3.36Å; V62-L64 VanDerWaalsContact C-N 3.33Å; V62-L64 PolarHBondContact O-N 3.33Å; V62-G65 PolarHBondContact O-N 3.19Å; V62-G65 VanDerWaalsContact O-N 3.08Å; V62-L67 HydrophobicContact CG2-CB 4.14Å |
| 63 | L | 97.9 | Very high | 97.2 | Very high | 27 Ų | 27 | 42.4 Ų | 42.4 | 14% | 0.141 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.2 | -32.4 | -179.5 | -69.2 | 179.7 | 0 | 0 | 0 | 113.1 | L42 V59 W60 G65 I229 | L42-L63 HydrophobicContact CB-CD2 4.11Å; V59-L63 HydrophobicContact CG1-CD1 3.76Å; V59-L63 HydrophobicContact CG1-CG 4.17Å; V59-L63 WeakPolarHBondContact O-CB 3.43Å; V59-L63 WeakPolarHBondContact O-CG 3.01Å; V59-L63 PolarHBondContact O-N 2.94Å; W60-L63 PolarHBondContact O-N 3.15Å; L63-G65 PolarHBondContact O-N 3.37Å; L63-I229 HydrophobicContact CB-CG2 3.78Å; L63-I229 HydrophobicContact CD1-CG2 4.2Å |
| 64 | L | 97.5 | Very high | 97.5 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 3.7 | 174.5 | -68.8 | 172.9 | 0 | 0 | 0 | 113.2 | W60 V62 I66 L155 C158 F159 Q162 I229 | W60-L64 WeakPolarHBondContact O-CB 3.41Å; W60-L64 WeakPolarHBondContact O-CG 3.27Å; W60-L64 PolarHBondContact O-N 2.99Å; V62-L64 VanDerWaalsContact C-N 3.33Å; V62-L64 PolarHBondContact O-N 3.33Å; L64-I66 HydrophobicContact CB-CD1 4.18Å; L64-I66 HydrophobicContact CB-CG1 4.28Å; L64-I66 PolarHBondContact O-N 2.91Å; L64-L155 HydrophobicContact CD1-CD2 3.68Å; L64-C158 HydrophobicContact CB-CB 3.96Å; L64-C158 HydrophobicContact CD1-CB 4.46Å; L64-F159 HydrophobicContact CD1-CB 4.44Å; L64-Q162 VanDerWaalsContact CA-NE2 3.31Å; L64-Q162 HydrophobicContact CD2-CB 4.35Å; L64-Q162 HydrophobicContact CD2-CG 4.35Å; L64-Q162 PolarHBondContact O-NE2 3.47Å; L64-I229 HydrophobicContact CD1-CD1 4.17Å; L64-I229 HydrophobicContact CD1-CG1 4.32Å; L64-I229 HydrophobicContact CD1-CG2 4.39Å; L64-I229 HydrophobicContact CD2-CG1 4.3Å; L64-I229 HydrophobicContact CD2-CG2 4.13Å; L64-I229 HydrophobicContact CG-CG1 4.44Å; L64-I229 HydrophobicContact CG-CG2 3.85Å |
| 65 | G | 96.5 | Very high | 97.6 | Very high | 55 Ų | 55 | 39.5 Ų | 39.5 | 57% | 0.567 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 20.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | K61 V62 L63 | K61-G65 PolarHBondContact O-N 3.25Å; V62-G65 PolarHBondContact O-N 3.19Å; V62-G65 VanDerWaalsContact O-N 3.08Å; L63-G65 PolarHBondContact O-N 3.37Å |
| 66 | I | 97.9 | Very high | 97.7 | Very high | 5 Ų | 5 | 41.3 Ų | 41.3 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -71.5 | -41.4 | 171.2 | -61.6 | 164.8 | 0 | 0 | 0 | 109.1 | K61 L64 R81 W154 L155 C158 | K61-I66 HydrophobicContact CB-CB 4.12Å; K61-I66 HydrophobicContact CB-CG2 4.46Å; K61-I66 HydrophobicContact CD-CG2 4.38Å; K61-I66 HydrophobicContact CG-CB 4.31Å; K61-I66 HydrophobicContact CG-CD1 4.11Å; K61-I66 HydrophobicContact CG-CG2 4.3Å; K61-I66 WeakPolarHBondContact O-CA 3.48Å; K61-I66 WeakPolarHBondContact O-CB 3.06Å; K61-I66 PolarHBondContact O-N 3.46Å; L64-I66 HydrophobicContact CB-CD1 4.18Å; L64-I66 HydrophobicContact CB-CG1 4.28Å; L64-I66 PolarHBondContact O-N 2.91Å; I66-R81 HydrophobicContact CG2-CG 4.42Å; I66-W154 HydrophobicContact CD1-CB 3.95Å; I66-W154 WeakPolarHBondContact CD1-O 3.48Å; I66-W154 HydrophobicContact CG1-CB 4.3Å; I66-W154 HydrophobicContact CG2-CB 4.02Å; I66-W154 HydrophobicContact CG2-CG 4.42Å; I66-L155 HydrophobicContact CD1-CD2 3.74Å; I66-L155 HydrophobicContact CD1-CG 4.08Å; I66-C158 HydrophobicContact CD1-CB 4.08Å; I66-C158 HydrophobicContact CG1-CB 3.98Å; I66-C158 VanDerWaalsContact CG1-SG 3.59Å |
| 67 | L | 98 | Very high | 97.7 | Very high | 12 Ų | 12 | 42.4 Ų | 42.4 | 6% | 0.063 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -109.7 | 142.2 | 171.2 | -67.1 | 177.8 | 0 | 0 | 0 | 110.2 | K61 V62 H74 V77 | K61-L67 HydrophobicContact CB-CB 4.45Å; K61-L67 HydrophobicContact CB-CD1 3.96Å; K61-L67 HydrophobicContact CB-CG 4.02Å; K61-L67 HydrophobicContact CD-CD1 4.3Å; K61-L67 PolarHBondContact O-N 3.37Å; V62-L67 HydrophobicContact CG2-CB 4.14Å; L67-H74 HydrophobicContact CD1-CB 4.46Å; L67-H74 HydrophobicContact CD2-CB 4.28Å; L67-V77 HydrophobicContact CD2-CB 4.47Å; L67-V77 HydrophobicContact CD2-CG1 4.35Å |
| 68 | P | 97.8 | Very high | 97.6 | Very high | 35 Ų | 35 | 42.1 Ų | 42.1 | 23% | 0.227 | 26% | 0.258 | C | S | . | . | trans | -71.6 | 164.5 | 176.8 | 31.7 | -36.5 | 0 | 0 | 0 | 111.3 | H70 H74 V77 | P68-H70 PolarHBondContact O-N 2.87Å; P68-H74 PolarHBondContact O-CD2 3.38Å; P68-H74 PolarHBondContact O-NE2 3.26Å; P68-V77 HydrophobicContact CG-CG2 4.04Å | ||
| 69 | P | 97.6 | Very high | 97.6 | Very high | 39 Ų | 39 | 40.8 Ų | 40.8 | 25% | 0.253 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -61.4 | -26.9 | 172.9 | -25.3 | 35.5 | 0 | 0 | 0 | 113.9 | P36 L37 L39 S71 | P36-P69 HydrophobicContact CB-CB 3.9Å; L37-P69 HydrophobicContact CB-CB 4.44Å; L37-P69 WeakPolarHBondContact CB-O 3.24Å; L37-P69 WeakPolarHBondContact CG-O 3.39Å; L37-P69 PolarHBondContact N-O 2.74Å; L39-P69 HydrophobicContact CD1-CG 4.04Å; L39-P69 HydrophobicContact CD2-CG 4.27Å; L39-P69 HydrophobicContact CG-CG 4.16Å; P69-S71 PolarHBondContact O-N 2.91Å |
| 70 | H | 97.8 | Very high | 97.6 | Very high | 96 Ų | 96 | 46.5 Ų | 46.5 | 44% | 0.444 | 28% | 0.282 | S | S | . | . | trans | -79.7 | 106.5 | -179.5 | -60.5 | 88.4 | 0 | 0 | 0 | 110.4 | N35 P68 D72 S73 H74 | N35-H70 WeakPolarHBondContact OD1-CA 3.48Å; P68-H70 PolarHBondContact O-N 2.87Å; H70-D72 VanDerWaalsContact C-N 3.26Å; H70-D72 PolarHBondContact O-N 3.32Å; H70-S73 PolarHBondContact O-N 3.43Å; H70-S73 VanDerWaalsContact O-N 3.08Å; H70-H74 PolarHBondContact O-CD2 3.05Å; H70-H74 VanDerWaalsContact O-CD2 3.27Å | ||
| 71 | S | 94.9 | Very high | 97.6 | Very high | 43 Ų | 43 | 50 Ų | 50 | 30% | 0.301 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -63 | -31.7 | -174.1 | 51.1 | 0 | 0 | 0 | 0 | 113.2 | N35 P69 S73 H74 | N35-S71 PolarHBondContact OD1-N 3.02Å; P69-S71 PolarHBondContact O-N 2.91Å; S71-S73 PolarHBondContact O-N 3.37Å; S71-S73 VanDerWaalsContact O-N 3.14Å; S71-H74 VanDerWaalsContact O-CB 3.3Å; S71-H74 WeakPolarHBondContact O-CB 3.4Å; S71-H74 VanDerWaalsContact O-CG 3.31Å; S71-H74 PolarHBondContact O-N 2.8Å |
| 72 | D | 96.4 | Very high | 97.6 | Very high | 131 Ų | 131 | 53.3 Ų | 53.3 | 70% | 0.701 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -60.1 | -26 | 176.2 | -55.8 | -29.9 | 0 | 0 | 0 | 112.9 | N35 H70 | N35-D72 VanDerWaalsContact ND2-CG 3.27Å; N35-D72 PolarHBondContact ND2-OD1 3.49Å; N35-D72 PolarHBondContact ND2-OD2 3.3Å; H70-D72 VanDerWaalsContact C-N 3.26Å; H70-D72 PolarHBondContact O-N 3.32Å |
| 73 | S | 97.1 | Very high | 97.6 | Very high | 48 Ų | 48 | 58.4 Ų | 58.4 | 34% | 0.336 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -88.7 | -5.9 | 180 | -60.4 | 0 | 0 | 0 | 0 | 113.6 | H70 S71 S75 L76 V77 | H70-S73 PolarHBondContact O-N 3.43Å; H70-S73 VanDerWaalsContact O-N 3.08Å; S71-S73 PolarHBondContact O-N 3.37Å; S71-S73 VanDerWaalsContact O-N 3.14Å; S73-S75 PolarHBondContact O-N 3.16Å; S73-L76 PolarHBondContact O-N 3Å; S73-V77 WeakPolarHBondContact O-CG2 3.32Å; S73-V77 PolarHBondContact O-N 2.93Å |
| 74 | H | 97.8 | Very high | 97.6 | Very high | 27 Ų | 27 | 60.1 Ų | 60.1 | 13% | 0.125 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.7 | -41.3 | -172.5 | -72.1 | -174.8 | 0 | 0 | 0 | 113 | H58 L67 P68 H70 S71 G78 | H58-H74 AromaticContact CE1-CE1 3.46Å; H58-H74 PolarHBondContact CE1-CE1 3.02Å; H58-H74 VanDerWaalsContact CE1-CE1 3.46Å; H58-H74 AromaticContact CE1-ND1 3.38Å; H58-H74 PolarHBondContact CE1-ND1 3.12Å; H58-H74 AromaticContact NE2-CE1 3.92Å; L67-H74 HydrophobicContact CD1-CB 4.46Å; L67-H74 HydrophobicContact CD2-CB 4.28Å; P68-H74 PolarHBondContact O-CD2 3.38Å; P68-H74 PolarHBondContact O-NE2 3.26Å; H70-H74 PolarHBondContact O-CD2 3.05Å; H70-H74 VanDerWaalsContact O-CD2 3.27Å; S71-H74 VanDerWaalsContact O-CB 3.3Å; S71-H74 WeakPolarHBondContact O-CB 3.4Å; S71-H74 VanDerWaalsContact O-CG 3.31Å; S71-H74 PolarHBondContact O-N 2.8Å; H74-G78 PolarHBondContact O-N 3.45Å |
| 75 | S | 97.7 | Very high | 97.7 | Very high | 109 Ų | 109 | 61.3 Ų | 61.3 | 76% | 0.762 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.9 | -45.7 | 178.2 | -175 | 0 | 0 | 0 | 0 | 111.4 | S73 G78 G79 | S73-S75 PolarHBondContact O-N 3.16Å; S75-G78 PolarHBondContact O-N 3.03Å; S75-G79 PolarHBondContact O-N 2.92Å |
| 76 | L | 98.1 | Very high | 97.8 | Very high | 100 Ų | 100 | 63.4 Ų | 63.4 | 52% | 0.524 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.4 | -50.1 | 179.3 | -177.3 | 65.7 | 0 | 0 | 0 | 111.7 | S73 G78 G79 Y80 | S73-L76 PolarHBondContact O-N 3Å; L76-G78 VanDerWaalsContact C-N 3.34Å; L76-G78 PolarHBondContact O-N 3.44Å; L76-G79 WeakPolarHBondContact O-CA 3.38Å; L76-G79 PolarHBondContact O-N 3.37Å; L76-G79 VanDerWaalsContact O-N 3.15Å; L76-Y80 HydrophobicContact CD1-CE1 4.3Å; L76-Y80 HydrophobicContact CD1-CE2 4.12Å; L76-Y80 HydrophobicContact CD2-CE2 4.22Å; L76-Y80 HydrophobicContact CG-CE2 3.75Å; L76-Y80 PolarHBondContact O-N 3.43Å; L76-Y80 VanDerWaalsContact O-N 3.17Å |
| 77 | V | 98.3 | Very high | 97.8 | Very high | 31 Ų | 31 | 68.1 Ų | 68.1 | 19% | 0.188 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 179.5 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | L67 P68 S73 G79 Y80 R81 | L67-V77 HydrophobicContact CD2-CB 4.47Å; L67-V77 HydrophobicContact CD2-CG1 4.35Å; P68-V77 HydrophobicContact CG-CG2 4.04Å; S73-V77 WeakPolarHBondContact O-CG2 3.32Å; S73-V77 PolarHBondContact O-N 2.93Å; V77-G79 VanDerWaalsContact C-N 3.26Å; V77-G79 PolarHBondContact O-N 3.29Å; V77-Y80 PolarHBondContact O-N 2.84Å; V77-Y80 VanDerWaalsContact O-N 3.15Å; V77-R81 HydrophobicContact CG1-CG 4.32Å; V77-R81 WeakPolarHBondContact O-CG 3.27Å; V77-R81 PolarHBondContact O-N 3.38Å |
| 78 | G | 97.5 | Very high | 97.8 | Very high | 30 Ų | 30 | 68.3 Ų | 68.3 | 31% | 0.309 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.6 | -38.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | H74 S75 L76 R81 K82 | H74-G78 PolarHBondContact O-N 3.45Å; S75-G78 PolarHBondContact O-N 3.03Å; L76-G78 VanDerWaalsContact C-N 3.34Å; L76-G78 PolarHBondContact O-N 3.44Å; G78-R81 PolarHBondContact O-N 2.81Å; G78-K82 WeakPolarHBondContact O-CB 3.44Å; G78-K82 PolarHBondContact O-N 3.18Å |
| 79 | G | 98.3 | Very high | 97.8 | Very high | 29 Ų | 29 | 67.8 Ų | 67.8 | 30% | 0.299 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57 | -52.3 | 171 | 0 | 0 | 0 | 0 | 0 | 112.5 | S75 L76 V77 R81 K82 E83 | S75-G79 PolarHBondContact O-N 2.92Å; L76-G79 WeakPolarHBondContact O-CA 3.38Å; L76-G79 PolarHBondContact O-N 3.37Å; L76-G79 VanDerWaalsContact O-N 3.15Å; V77-G79 VanDerWaalsContact C-N 3.26Å; V77-G79 PolarHBondContact O-N 3.29Å; G79-R81 VanDerWaalsContact C-N 3.33Å; G79-R81 PolarHBondContact O-N 3.42Å; G79-K82 WeakPolarHBondContact O-CB 3.22Å; G79-K82 PolarHBondContact O-N 3.45Å; G79-K82 VanDerWaalsContact O-N 3.12Å; G79-E83 PolarHBondContact O-N 2.96Å |
| 80 | Y | 98.3 | Very high | 97.8 | Very high | 121 Ų | 121 | 71.8 Ų | 71.8 | 48% | 0.475 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.1 | -38 | 177.7 | -59.1 | -37.3 | 0 | 0 | 0 | 113.3 | L76 V77 K82 E83 Q84 | L76-Y80 HydrophobicContact CD1-CE1 4.3Å; L76-Y80 HydrophobicContact CD1-CE2 4.12Å; L76-Y80 HydrophobicContact CD2-CE2 4.22Å; L76-Y80 HydrophobicContact CG-CE2 3.75Å; L76-Y80 PolarHBondContact O-N 3.43Å; L76-Y80 VanDerWaalsContact O-N 3.17Å; V77-Y80 PolarHBondContact O-N 2.84Å; V77-Y80 VanDerWaalsContact O-N 3.15Å; Y80-K82 VanDerWaalsContact C-N 3.29Å; Y80-K82 PolarHBondContact O-N 3.48Å; Y80-E83 PolarHBondContact O-N 3.37Å; Y80-Q84 WeakPolarHBondContact O-CB 3.39Å; Y80-Q84 PolarHBondContact O-N 2.77Å |
| 81 | R | 98.1 | Very high | 97.9 | Very high | 73 Ų | 73 | 69 Ų | 69 | 28% | 0.275 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.3 | -36.5 | 175.8 | -68.1 | -56.8 | 93.6 | 149.1 | 5.3 | 111.8 | I66 V77 G78 G79 Y85 W154 | I66-R81 HydrophobicContact CG2-CG 4.42Å; V77-R81 HydrophobicContact CG1-CG 4.32Å; V77-R81 WeakPolarHBondContact O-CG 3.27Å; V77-R81 PolarHBondContact O-N 3.38Å; G78-R81 PolarHBondContact O-N 2.81Å; G79-R81 VanDerWaalsContact C-N 3.33Å; G79-R81 PolarHBondContact O-N 3.42Å; R81-Y85 WeakPolarHBondContact O-CB 3.46Å; R81-Y85 PolarHBondContact O-N 3.22Å; R81-Y85 VanDerWaalsContact O-N 3.09Å; R81-W154 HydrophobicContact CB-CZ2 4.33Å; R81-W154 HydrophobicContact CG-CD2 4.49Å; R81-W154 PolarHBondContact O-NE1 3.49Å |
| 82 | K | 98.4 | Very high | 97.9 | Very high | 101 Ų | 101 | 67 Ų | 67 | 44% | 0.439 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -70.7 | -46.7 | 176.7 | 174.8 | 172.7 | -177.3 | -177.3 | 0 | 112.1 | G78 G79 Y80 Y85 Q86 I150 | G78-K82 WeakPolarHBondContact O-CB 3.44Å; G78-K82 PolarHBondContact O-N 3.18Å; G79-K82 WeakPolarHBondContact O-CB 3.22Å; G79-K82 PolarHBondContact O-N 3.45Å; G79-K82 VanDerWaalsContact O-N 3.12Å; Y80-K82 VanDerWaalsContact C-N 3.29Å; Y80-K82 PolarHBondContact O-N 3.48Å; K82-Y85 WeakPolarHBondContact O-CB 3.2Å; K82-Y85 PolarHBondContact O-N 3.46Å; K82-Q86 WeakPolarHBondContact O-CG 3.26Å; K82-Q86 PolarHBondContact O-N 3.07Å; K82-I150 HydrophobicContact CB-CD1 4.06Å; K82-I150 HydrophobicContact CD-CD1 3.98Å; K82-I150 HydrophobicContact CG-CD1 3.67Å |
| 83 | E | 98.4 | Very high | 97.9 | Very high | 110 Ų | 110 | 65.7 Ų | 65.7 | 51% | 0.514 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.4 | -49.9 | 176.5 | -72 | 170.9 | -173 | 0 | 0 | 110.5 | G79 Y80 Y85 Q86 D87 | G79-E83 PolarHBondContact O-N 2.96Å; Y80-E83 PolarHBondContact O-N 3.37Å; E83-Y85 VanDerWaalsContact C-N 3.31Å; E83-Y85 PolarHBondContact O-N 2.88Å; E83-Q86 PolarHBondContact O-N 2.84Å; E83-D87 PolarHBondContact O-N 2.84Å |
| 84 | Q | 98.3 | Very high | 97.9 | Very high | 62 Ų | 62 | 68.8 Ų | 68.8 | 29% | 0.29 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.4 | -39.7 | 177.1 | 180 | 170.2 | 11.4 | 0 | 0 | 113 | Y80 Q86 V88 E115 W154 | Y80-Q84 WeakPolarHBondContact O-CB 3.39Å; Y80-Q84 PolarHBondContact O-N 2.77Å; Q84-Q86 VanDerWaalsContact C-N 3.34Å; Q84-V88 WeakPolarHBondContact O-CG2 3.41Å; Q84-V88 PolarHBondContact O-N 3.48Å; Q84-E115 PolarHBondContact NE2-OE1 3.31Å; Q84-W154 HydrophobicContact CB-CZ2 4.17Å; Q84-W154 HydrophobicContact CG-CH2 4.3Å; Q84-W154 HydrophobicContact CG-CZ2 3.97Å |
| 85 | Y | 98.4 | Very high | 97.8 | Very high | 31 Ų | 31 | 71.8 Ų | 71.8 | 12% | 0.122 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.4 | -47.4 | 174.8 | 176.6 | -81 | 0 | 0 | 0 | 110.9 | R81 K82 E83 V88 V89 Y108 M111 I150 Y153 | R81-Y85 WeakPolarHBondContact O-CB 3.46Å; R81-Y85 PolarHBondContact O-N 3.22Å; R81-Y85 VanDerWaalsContact O-N 3.09Å; K82-Y85 WeakPolarHBondContact O-CB 3.2Å; K82-Y85 PolarHBondContact O-N 3.46Å; E83-Y85 VanDerWaalsContact C-N 3.31Å; E83-Y85 PolarHBondContact O-N 2.88Å; Y85-V88 PolarHBondContact O-N 3.29Å; Y85-V89 HydrophobicContact CD1-CG2 4.16Å; Y85-V89 HydrophobicContact CE1-CG2 3.76Å; Y85-V89 VanDerWaalsContact O-CG2 3.31Å; Y85-V89 WeakPolarHBondContact O-CG2 3.48Å; Y85-V89 PolarHBondContact O-N 2.93Å; Y85-V89 VanDerWaalsContact O-N 3.08Å; Y85-Y108 HydrophobicContact CE2-CE1 4.17Å; Y85-M111 HydrophobicContact CD2-CE 3.46Å; Y85-M111 VanDerWaalsContact CD2-CE 3.46Å; Y85-M111 HydrophobicContact CD2-SD 4.19Å; Y85-M111 HydrophobicContact CE2-CE 3.71Å; Y85-M111 HydrophobicContact CE2-SD 3.8Å; Y85-M111 HydrophobicContact CG-CE 3.9Å; Y85-I150 HydrophobicContact CD1-CG1 4.02Å; Y85-I150 HydrophobicContact CD2-CG1 4.37Å; Y85-I150 HydrophobicContact CE1-CG1 4.39Å; Y85-I150 HydrophobicContact CG-CG1 4.03Å; Y85-Y153 AromaticContact CD2-CD1 3.83Å; Y85-Y153 HydrophobicContact CD2-CD1 3.83Å; Y85-Y153 AromaticContact CD2-CG 3.98Å; Y85-Y153 HydrophobicContact CD2-CG 3.98Å; Y85-Y153 HydrophobicContact CE2-CD1 4.38Å; Y85-Y153 HydrophobicContact CE2-CG 4.06Å |
| 86 | Q | 98.4 | Very high | 97.5 | Very high | 98 Ų | 98 | 76.8 Ų | 76.8 | 46% | 0.458 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.4 | -45.9 | -178.1 | -70.5 | 174.5 | -28.9 | 0 | 0 | 111.9 | K82 E83 Q84 V88 V89 E90 | K82-Q86 WeakPolarHBondContact O-CG 3.26Å; K82-Q86 PolarHBondContact O-N 3.07Å; E83-Q86 PolarHBondContact O-N 2.84Å; Q84-Q86 VanDerWaalsContact C-N 3.34Å; Q86-V88 VanDerWaalsContact C-N 3.3Å; Q86-V88 PolarHBondContact O-N 3.4Å; Q86-V89 PolarHBondContact O-N 2.8Å; Q86-E90 WeakPolarHBondContact O-CB 3.22Å; Q86-E90 PolarHBondContact O-N 3.45Å |
| 87 | D | 98.4 | Very high | 97.2 | Very high | 104 Ų | 104 | 73.9 Ų | 73.9 | 56% | 0.556 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -57.6 | -43.3 | 178.8 | -69.7 | -13.8 | 0 | 0 | 0 | 111.8 | E83 A91 | E83-D87 PolarHBondContact O-N 2.84Å; D87-A91 VanDerWaalsContact O-CB 3.32Å; D87-A91 WeakPolarHBondContact O-CB 3.31Å; D87-A91 PolarHBondContact O-N 3.04Å |
| 88 | V | 98.2 | Very high | 97 | Very high | 17 Ų | 17 | 72.7 Ų | 72.7 | 10% | 0.103 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -71 | -40 | -179.2 | 176.3 | 0 | 0 | 0 | 0 | 111.1 | Q84 Y85 Q86 A91 L92 M111 L114 E115 | Q84-V88 WeakPolarHBondContact O-CG2 3.41Å; Q84-V88 PolarHBondContact O-N 3.48Å; Y85-V88 PolarHBondContact O-N 3.29Å; Q86-V88 VanDerWaalsContact C-N 3.3Å; Q86-V88 PolarHBondContact O-N 3.4Å; V88-A91 PolarHBondContact O-N 3.14Å; V88-L92 HydrophobicContact CG1-CD1 4.25Å; V88-L92 VanDerWaalsContact O-CG 3.3Å; V88-L92 WeakPolarHBondContact O-CG 3.35Å; V88-L92 PolarHBondContact O-N 2.74Å; V88-L92 VanDerWaalsContact O-N 3.09Å; V88-M111 HydrophobicContact CB-CE 4.08Å; V88-M111 HydrophobicContact CG1-CB 3.83Å; V88-M111 HydrophobicContact CG1-CE 4.05Å; V88-M111 HydrophobicContact CG1-CG 3.81Å; V88-L114 HydrophobicContact CG1-CD2 4.03Å; V88-E115 HydrophobicContact CG1-CG 4.3Å; V88-E115 HydrophobicContact CG2-CG 4.03Å |
| 89 | V | 98 | Very high | 96.8 | Very high | 23 Ų | 23 | 75.3 Ų | 75.3 | 14% | 0.139 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.3 | -49.1 | 175 | 169.9 | 0 | 0 | 0 | 0 | 110.5 | Y85 Q86 A91 L92 E93 I98 I107 M111 | Y85-V89 HydrophobicContact CD1-CG2 4.16Å; Y85-V89 HydrophobicContact CE1-CG2 3.76Å; Y85-V89 VanDerWaalsContact O-CG2 3.31Å; Y85-V89 WeakPolarHBondContact O-CG2 3.48Å; Y85-V89 PolarHBondContact O-N 2.93Å; Y85-V89 VanDerWaalsContact O-N 3.08Å; Q86-V89 PolarHBondContact O-N 2.8Å; V89-A91 VanDerWaalsContact C-N 3.33Å; V89-A91 PolarHBondContact O-N 3.08Å; V89-L92 PolarHBondContact O-N 3.28Å; V89-L92 VanDerWaalsContact O-N 3.14Å; V89-E93 WeakPolarHBondContact O-CG 3.24Å; V89-E93 PolarHBondContact O-N 2.87Å; V89-I98 HydrophobicContact CG1-CD1 4.09Å; V89-I107 HydrophobicContact CG2-CG2 4.29Å; V89-M111 HydrophobicContact CG2-CE 3.8Å; V89-M111 HydrophobicContact CG2-CG 4.32Å; V89-M111 HydrophobicContact CG2-SD 3.57Å; V89-M111 VanDerWaalsContact CG2-SD 3.57Å |
| 90 | E | 98.2 | Very high | 96.6 | Very high | 124 Ų | 124 | 80.5 Ų | 80.5 | 58% | 0.579 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -60.4 | -43.3 | 179 | -175.6 | 176.2 | 173 | 0 | 0 | 111.3 | Q86 L92 E93 V94 | Q86-E90 WeakPolarHBondContact O-CB 3.22Å; Q86-E90 PolarHBondContact O-N 3.45Å; E90-L92 VanDerWaalsContact C-N 3.31Å; E90-L92 PolarHBondContact O-N 2.72Å; E90-E93 PolarHBondContact O-N 3.17Å; E90-V94 HydrophobicContact CG-CG2 4.49Å; E90-V94 WeakPolarHBondContact O-CG2 3.45Å; E90-V94 PolarHBondContact O-N 3.44Å |
| 91 | A | 97.9 | Very high | 96.4 | Very high | 38 Ų | 38 | 79.4 Ų | 79.4 | 31% | 0.314 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.2 | -43.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D87 V88 V89 V94 M95 L114 | D87-A91 VanDerWaalsContact O-CB 3.32Å; D87-A91 WeakPolarHBondContact O-CB 3.31Å; D87-A91 PolarHBondContact O-N 3.04Å; V88-A91 PolarHBondContact O-N 3.14Å; V89-A91 VanDerWaalsContact C-N 3.33Å; V89-A91 PolarHBondContact O-N 3.08Å; A91-V94 PolarHBondContact O-N 3.48Å; A91-M95 VanDerWaalsContact O-CB 3.3Å; A91-M95 WeakPolarHBondContact O-CB 3.42Å; A91-M95 WeakPolarHBondContact O-CG 3.34Å; A91-M95 PolarHBondContact O-N 2.91Å; A91-L114 HydrophobicContact CB-CD2 4.37Å |
| 92 | L | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -67.9 | -34.5 | 178.4 | -71.6 | 168.6 | 0 | 0 | 0 | 112.9 | V88 V89 E90 R96 Y97 I98 R110 M111 L114 L119 | V88-L92 HydrophobicContact CG1-CD1 4.25Å; V88-L92 VanDerWaalsContact O-CG 3.3Å; V88-L92 WeakPolarHBondContact O-CG 3.35Å; V88-L92 PolarHBondContact O-N 2.74Å; V88-L92 VanDerWaalsContact O-N 3.09Å; V89-L92 PolarHBondContact O-N 3.28Å; V89-L92 VanDerWaalsContact O-N 3.14Å; E90-L92 VanDerWaalsContact C-N 3.31Å; E90-L92 PolarHBondContact O-N 2.72Å; L92-R96 PolarHBondContact O-N 2.91Å; L92-R96 VanDerWaalsContact O-N 3.07Å; L92-Y97 HydrophobicContact CD2-CD2 4.49Å; L92-Y97 HydrophobicContact CD2-CG 4.22Å; L92-Y97 PolarHBondContact O-N 2.97Å; L92-I98 HydrophobicContact CB-CD1 3.74Å; L92-I98 HydrophobicContact CB-CG1 3.84Å; L92-I98 HydrophobicContact CB-CG2 4.4Å; L92-I98 HydrophobicContact CD1-CD1 4.47Å; L92-R110 HydrophobicContact CD1-CB 3.75Å; L92-R110 HydrophobicContact CD2-CB 4.05Å; L92-M111 HydrophobicContact CD1-CB 4.31Å; L92-M111 HydrophobicContact CD1-CG 3.67Å; L92-L114 HydrophobicContact CD2-CB 4.3Å; L92-L114 HydrophobicContact CD2-CD2 3.81Å; L92-L114 HydrophobicContact CG-CD2 3.85Å; L92-L119 HydrophobicContact CD2-CD1 4.37Å; L92-L119 HydrophobicContact CD2-CD2 4.02Å |
| 93 | E | 96.4 | Very high | 95.9 | Very high | 104 Ų | 104 | 76 Ų | 76 | 49% | 0.486 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.8 | -47.9 | 173.3 | -72.4 | -179.1 | 165 | 0 | 0 | 111.2 | V89 E90 M95 R96 I98 | V89-E93 WeakPolarHBondContact O-CG 3.24Å; V89-E93 PolarHBondContact O-N 2.87Å; E90-E93 PolarHBondContact O-N 3.17Å; E93-M95 VanDerWaalsContact C-N 3.3Å; E93-M95 PolarHBondContact O-N 3.43Å; E93-R96 WeakPolarHBondContact O-CA 3.33Å; E93-R96 PolarHBondContact O-N 3.34Å; E93-I98 HydrophobicContact CB-CG1 4.48Å; E93-I98 HydrophobicContact CG-CD1 3.89Å; E93-I98 HydrophobicContact CG-CG1 3.66Å |
| 94 | V | 96.9 | Very high | 95.8 | Very high | 112 Ų | 112 | 73 Ų | 73 | 68% | 0.679 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61.5 | -40.5 | 177.4 | 173.3 | 0 | 0 | 0 | 0 | 111 | E90 A91 R96 | E90-V94 HydrophobicContact CG-CG2 4.49Å; E90-V94 WeakPolarHBondContact O-CG2 3.45Å; E90-V94 PolarHBondContact O-N 3.44Å; A91-V94 PolarHBondContact O-N 3.48Å; V94-R96 PolarHBondContact O-N 3.25Å |
| 95 | M | 94.8 | Very high | 95.6 | Very high | 90 Ų | 90 | 70.5 Ų | 70.5 | 44% | 0.443 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -3.8 | 175.4 | -66.9 | 173.3 | 60.7 | 0 | 0 | 113.6 | A91 E93 Y97 L119 | A91-M95 VanDerWaalsContact O-CB 3.3Å; A91-M95 WeakPolarHBondContact O-CB 3.42Å; A91-M95 WeakPolarHBondContact O-CG 3.34Å; A91-M95 PolarHBondContact O-N 2.91Å; E93-M95 VanDerWaalsContact C-N 3.3Å; E93-M95 PolarHBondContact O-N 3.43Å; M95-Y97 VanDerWaalsContact C-N 3.29Å; M95-Y97 HydrophobicContact CB-CD2 3.63Å; M95-Y97 HydrophobicContact CB-CE2 3.97Å; M95-Y97 HydrophobicContact CE-CD2 4.17Å; M95-Y97 HydrophobicContact CE-CE2 3.65Å; M95-Y97 PolarHBondContact O-N 3.28Å; M95-L119 HydrophobicContact CE-CD2 4.02Å |
| 96 | R | 92.6 | Very high | 95.4 | Very high | 214 Ų | 214 | 71.4 Ų | 71.4 | 81% | 0.808 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 27.8 | 178.8 | -51.3 | 179.5 | 179.1 | 179.7 | -1.7 | 114.8 | L92 E93 V94 | L92-R96 PolarHBondContact O-N 2.91Å; L92-R96 VanDerWaalsContact O-N 3.07Å; E93-R96 WeakPolarHBondContact O-CA 3.33Å; E93-R96 PolarHBondContact O-N 3.34Å; V94-R96 PolarHBondContact O-N 3.25Å |
| 97 | Y | 91.3 | Very high | 95.3 | Very high | 39 Ų | 39 | 68.2 Ų | 68.2 | 15% | 0.153 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -78.9 | -26.1 | 172.1 | -81.8 | -95.4 | 0 | 0 | 0 | 112.6 | L92 M95 L119 P120 C122 T125 | L92-Y97 HydrophobicContact CD2-CD2 4.49Å; L92-Y97 HydrophobicContact CD2-CG 4.22Å; L92-Y97 PolarHBondContact O-N 2.97Å; M95-Y97 VanDerWaalsContact C-N 3.29Å; M95-Y97 HydrophobicContact CB-CD2 3.63Å; M95-Y97 HydrophobicContact CB-CE2 3.97Å; M95-Y97 HydrophobicContact CE-CD2 4.17Å; M95-Y97 HydrophobicContact CE-CE2 3.65Å; M95-Y97 PolarHBondContact O-N 3.28Å; Y97-L119 HydrophobicContact CD1-CD1 4.04Å; Y97-L119 HydrophobicContact CD1-CD2 4.19Å; Y97-L119 HydrophobicContact CD1-CG 4.24Å; Y97-L119 HydrophobicContact CD2-CD2 4.17Å; Y97-L119 HydrophobicContact CE1-CD1 4.08Å; Y97-L119 HydrophobicContact CE1-CD2 3.92Å; Y97-L119 HydrophobicContact CE1-CG 3.83Å; Y97-L119 HydrophobicContact CE2-CD2 3.9Å; Y97-L119 HydrophobicContact CG-CD2 4.3Å; Y97-P120 VanDerWaalsContact CE1-O 3.23Å; Y97-P120 WeakPolarHBondContact CE1-O 3.01Å; Y97-P120 PolarHBondContact OH-O 3.45Å; Y97-C122 HydrophobicContact CE1-CB 4.11Å; Y97-C122 HydrophobicContact CE2-CB 4.1Å; Y97-C122 PolarHBondContact OH-N 3.13Å; Y97-T125 HydrophobicContact CD1-CG2 4.34Å; Y97-T125 HydrophobicContact CE1-CG2 4.16Å |
| 98 | I | 94.1 | Very high | 95.2 | Very high | 7 Ų | 7 | 63.7 Ų | 63.7 | 4% | 0.036 | 35% | 0.348 | C | S | . | . | trans | -132.7 | 160.6 | 179.3 | 68.6 | 178.8 | 0 | 0 | 0 | 110.1 | V89 L92 E93 T102 I107 R110 | V89-I98 HydrophobicContact CG1-CD1 4.09Å; L92-I98 HydrophobicContact CB-CD1 3.74Å; L92-I98 HydrophobicContact CB-CG1 3.84Å; L92-I98 HydrophobicContact CB-CG2 4.4Å; L92-I98 HydrophobicContact CD1-CD1 4.47Å; E93-I98 HydrophobicContact CB-CG1 4.48Å; E93-I98 HydrophobicContact CG-CD1 3.89Å; E93-I98 HydrophobicContact CG-CG1 3.66Å; I98-T102 HydrophobicContact CB-CG2 4.26Å; I98-T102 HydrophobicContact CG2-CG2 4.11Å; I98-I107 HydrophobicContact CB-CG1 4.4Å; I98-I107 HydrophobicContact CD1-CG1 4.32Å; I98-I107 HydrophobicContact CD1-CG2 3.9Å; I98-I107 HydrophobicContact CG2-CG1 4.23Å; I98-R110 HydrophobicContact CG2-CB 4.19Å; I98-R110 HydrophobicContact CG2-CG 4.03Å | ||
| 99 | N | 93.3 | Very high | 95.1 | Very high | 85 Ų | 85 | 63.1 Ų | 63.1 | 46% | 0.455 | 34% | 0.344 | S | S | . | . | trans | -152.3 | 177.4 | 176.6 | 60.2 | 52.8 | 0 | 0 | 0 | 109.4 | S101 T102 | N99-S101 PolarHBondContact O-N 3.26Å; N99-S101 WeakPolarHBondContact OD1-CA 3.45Å; N99-S101 WeakPolarHBondContact OD1-CB 3.24Å; N99-S101 PolarHBondContact OD1-N 2.82Å; N99-S101 PolarHBondContact OD1-OG 2.82Å; N99-T102 PolarHBondContact N-OG1 3.01Å; N99-T102 VanDerWaalsContact O-CB 3.25Å; N99-T102 WeakPolarHBondContact O-CB 3.44Å; N99-T102 PolarHBondContact O-N 2.89Å; N99-T102 PolarHBondContact O-OG1 2.92Å; N99-T102 VanDerWaalsContact O-OG1 3.06Å; N99-T102 PolarHBondContact OD1-N 2.8Å; N99-T102 PolarHBondContact OD1-OG1 2.69Å | ||
| 100 | S | 92.9 | Very high | 95 | Very high | 137 Ų | 137 | 63.6 Ų | 63.6 | 96% | 0.958 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -16.7 | -178.6 | 56.2 | 0 | 0 | 0 | 0 | 115.6 | ||
| 101 | S | 93.9 | Very high | 94.9 | Very high | 98 Ų | 98 | 57.7 Ų | 57.7 | 69% | 0.685 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -2.9 | 175.3 | 69.9 | 0 | 0 | 0 | 0 | 113.7 | N99 P103 | N99-S101 PolarHBondContact O-N 3.26Å; N99-S101 WeakPolarHBondContact OD1-CA 3.45Å; N99-S101 WeakPolarHBondContact OD1-CB 3.24Å; N99-S101 PolarHBondContact OD1-N 2.82Å; N99-S101 PolarHBondContact OD1-OG 2.82Å; S101-P103 WeakPolarHBondContact O-CD 3.36Å |
| 102 | T | 93.2 | Very high | 94.8 | Very high | 29 Ų | 29 | 57.3 Ų | 57.3 | 18% | 0.178 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -74.4 | 125.7 | -178.4 | -53.6 | 0 | 0 | 0 | 0 | 109.7 | I98 N99 H106 I107 | I98-T102 HydrophobicContact CB-CG2 4.26Å; I98-T102 HydrophobicContact CG2-CG2 4.11Å; N99-T102 PolarHBondContact N-OG1 3.01Å; N99-T102 VanDerWaalsContact O-CB 3.25Å; N99-T102 WeakPolarHBondContact O-CB 3.44Å; N99-T102 PolarHBondContact O-N 2.89Å; N99-T102 PolarHBondContact O-OG1 2.92Å; N99-T102 VanDerWaalsContact O-OG1 3.06Å; N99-T102 PolarHBondContact OD1-N 2.8Å; N99-T102 PolarHBondContact OD1-OG1 2.69Å; T102-H106 HydrophobicContact CG2-CB 3.86Å; T102-I107 HydrophobicContact CG2-CG1 3.78Å |
| 103 | P | 94.4 | Very high | 94.7 | Very high | 73 Ų | 73 | 57.9 Ų | 57.9 | 47% | 0.474 | 31% | 0.31 | S | S | . | . | trans | -60.4 | 144 | 176.7 | -22.7 | 33.2 | 0 | 0 | 0 | 111.8 | S101 T105 H106 I107 | S101-P103 WeakPolarHBondContact O-CD 3.36Å; P103-T105 VanDerWaalsContact C-N 3.27Å; P103-T105 PolarHBondContact O-N 2.85Å; P103-H106 WeakPolarHBondContact O-CA 3.03Å; P103-H106 WeakPolarHBondContact O-CB 3.17Å; P103-H106 PolarHBondContact O-N 2.83Å; P103-I107 PolarHBondContact O-N 3.33Å | ||
| 104 | S | 95.1 | Very high | 94.7 | Very high | 48 Ų | 48 | 55.3 Ų | 55.3 | 34% | 0.336 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -51.9 | -44.4 | -178 | -37.9 | 0 | 0 | 0 | 0 | 112.8 | H106 I107 Y108 E143 | S104-H106 PolarHBondContact O-N 3.28Å; S104-I107 WeakPolarHBondContact O-CA 3.25Å; S104-I107 WeakPolarHBondContact O-CB 3.21Å; S104-I107 PolarHBondContact O-N 3.09Å; S104-Y108 WeakPolarHBondContact O-CD2 3.36Å; S104-Y108 VanDerWaalsContact O-CG 3.28Å; S104-Y108 PolarHBondContact O-N 3.48Å; S104-E143 WeakPolarHBondContact CB-OE1 3.41Å; S104-E143 PolarHBondContact OG-OE1 3.35Å |
| 105 | T | 94.6 | Very high | 94.6 | Very high | 9 Ų | 9 | 52.4 Ų | 52.4 | 6% | 0.055 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.3 | -31.6 | 177.9 | 52.3 | 0 | 0 | 0 | 0 | 113.6 | P103 L109 R140 E143 | P103-T105 VanDerWaalsContact C-N 3.27Å; P103-T105 PolarHBondContact O-N 2.85Å; T105-L109 PolarHBondContact O-N 3.29Å; T105-L109 VanDerWaalsContact O-N 3.12Å; T105-R140 HydrophobicContact CG2-CG 3.86Å; T105-E143 WeakPolarHBondContact CG2-OE2 3.48Å |
| 106 | H | 93.9 | Very high | 94.5 | Very high | 51 Ų | 51 | 50.4 Ų | 50.4 | 24% | 0.236 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -77.6 | -34.7 | 174.5 | -71 | 61.2 | 0 | 0 | 0 | 111.3 | T102 P103 S104 L109 R110 | T102-H106 HydrophobicContact CG2-CB 3.86Å; P103-H106 WeakPolarHBondContact O-CA 3.03Å; P103-H106 WeakPolarHBondContact O-CB 3.17Å; P103-H106 PolarHBondContact O-N 2.83Å; S104-H106 PolarHBondContact O-N 3.28Å; H106-L109 PolarHBondContact O-N 3.48Å; H106-R110 WeakPolarHBondContact O-CG 3.49Å; H106-R110 PolarHBondContact O-N 3.5Å |
| 107 | I | 96.1 | Very high | 94.5 | Very high | 31 Ų | 31 | 48.9 Ų | 48.9 | 16% | 0.159 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.3 | -51.3 | 170.4 | -60.1 | 175.5 | 0 | 0 | 0 | 109.1 | V89 I98 T102 P103 S104 L109 R110 M111 | V89-I107 HydrophobicContact CG2-CG2 4.29Å; I98-I107 HydrophobicContact CB-CG1 4.4Å; I98-I107 HydrophobicContact CD1-CG1 4.32Å; I98-I107 HydrophobicContact CD1-CG2 3.9Å; I98-I107 HydrophobicContact CG2-CG1 4.23Å; T102-I107 HydrophobicContact CG2-CG1 3.78Å; P103-I107 PolarHBondContact O-N 3.33Å; S104-I107 WeakPolarHBondContact O-CA 3.25Å; S104-I107 WeakPolarHBondContact O-CB 3.21Å; S104-I107 PolarHBondContact O-N 3.09Å; I107-L109 VanDerWaalsContact C-N 3.29Å; I107-L109 PolarHBondContact O-N 2.92Å; I107-R110 PolarHBondContact O-N 2.78Å; I107-M111 HydrophobicContact CG2-CG 4.22Å; I107-M111 HydrophobicContact CG2-SD 3.97Å; I107-M111 VanDerWaalsContact O-CG 3.29Å; I107-M111 WeakPolarHBondContact O-CG 3.2Å; I107-M111 PolarHBondContact O-N 3.3Å |
| 108 | Y | 97.4 | Very high | 94.5 | Very high | 9 Ų | 9 | 51.5 Ų | 51.5 | 4% | 0.035 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.8 | -40.8 | 177.7 | -57 | -29.4 | 0 | 0 | 0 | 112.8 | Y85 S104 M111 F112 Y153 I156 | Y85-Y108 HydrophobicContact CE2-CE1 4.17Å; S104-Y108 WeakPolarHBondContact O-CD2 3.36Å; S104-Y108 VanDerWaalsContact O-CG 3.28Å; S104-Y108 PolarHBondContact O-N 3.48Å; Y108-M111 HydrophobicContact CD1-SD 4.37Å; Y108-M111 PolarHBondContact O-N 3.09Å; Y108-F112 WeakPolarHBondContact O-CB 3.11Å; Y108-F112 PolarHBondContact O-N 3.46Å; Y108-Y153 AromaticContact CD1-CD2 3.88Å; Y108-Y153 HydrophobicContact CD1-CD2 3.88Å; Y108-Y153 HydrophobicContact CD1-CG 4.32Å; Y108-Y153 HydrophobicContact CG-CD2 4.19Å; Y108-I156 HydrophobicContact CD2-CD1 3.54Å; Y108-I156 HydrophobicContact CE2-CD1 4.07Å; Y108-I156 HydrophobicContact CG-CD1 4.21Å |
| 109 | L | 95.4 | Very high | 94.3 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 175.1 | 176 | 65 | 0 | 0 | 0 | 111.7 | T105 H106 I107 F112 Q113 N132 F135 L136 | T105-L109 PolarHBondContact O-N 3.29Å; T105-L109 VanDerWaalsContact O-N 3.12Å; H106-L109 PolarHBondContact O-N 3.48Å; I107-L109 VanDerWaalsContact C-N 3.29Å; I107-L109 PolarHBondContact O-N 2.92Å; L109-F112 PolarHBondContact O-N 3.08Å; L109-Q113 HydrophobicContact CD1-CG 4.24Å; L109-Q113 WeakPolarHBondContact O-CB 3.21Å; L109-Q113 VanDerWaalsContact O-CG 3.25Å; L109-Q113 WeakPolarHBondContact O-CG 3.3Å; L109-Q113 PolarHBondContact O-N 2.75Å; L109-N132 HydrophobicContact CD1-CB 4.34Å; L109-N132 HydrophobicContact CD2-CB 3.91Å; L109-F135 VanDerWaalsContact CA-CE1 3.4Å; L109-F135 HydrophobicContact CB-CD1 3.9Å; L109-F135 HydrophobicContact CB-CE1 3.79Å; L109-F135 HydrophobicContact CD1-CB 4.2Å; L109-F135 HydrophobicContact CD1-CD1 3.61Å; L109-F135 HydrophobicContact CD1-CD2 4.45Å; L109-F135 HydrophobicContact CD1-CE1 4.12Å; L109-F135 HydrophobicContact CD1-CG 3.83Å; L109-F135 HydrophobicContact CG-CD1 4.33Å; L109-L136 HydrophobicContact CB-CD2 4.22Å; L109-L136 HydrophobicContact CD2-CD1 4.4Å; L109-L136 HydrophobicContact CD2-CD2 4.11Å; L109-L136 HydrophobicContact CD2-CG 4.24Å |
| 110 | R | 95 | Very high | 94 | Very high | 33 Ų | 33 | 50.7 Ų | 50.7 | 13% | 0.125 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.1 | -39.5 | 178.6 | -64.5 | -49.7 | -179.6 | -161.3 | -1.9 | 112 | L92 I98 H106 I107 Q113 L114 L119 | L92-R110 HydrophobicContact CD1-CB 3.75Å; L92-R110 HydrophobicContact CD2-CB 4.05Å; I98-R110 HydrophobicContact CG2-CB 4.19Å; I98-R110 HydrophobicContact CG2-CG 4.03Å; H106-R110 WeakPolarHBondContact O-CG 3.49Å; H106-R110 PolarHBondContact O-N 3.5Å; I107-R110 PolarHBondContact O-N 2.78Å; R110-Q113 PolarHBondContact O-N 3.27Å; R110-L114 WeakPolarHBondContact O-CB 3.39Å; R110-L114 PolarHBondContact O-N 2.81Å; R110-L119 HydrophobicContact CB-CD1 4.47Å |
| 111 | M | 97.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.5 | -49 | 173.6 | -65.9 | 178.1 | 72.2 | 0 | 0 | 110.8 | Y85 V88 V89 L92 I107 Y108 Q113 L114 E115 Y153 | Y85-M111 HydrophobicContact CD2-CE 3.46Å; Y85-M111 VanDerWaalsContact CD2-CE 3.46Å; Y85-M111 HydrophobicContact CD2-SD 4.19Å; Y85-M111 HydrophobicContact CE2-CE 3.71Å; Y85-M111 HydrophobicContact CE2-SD 3.8Å; Y85-M111 HydrophobicContact CG-CE 3.9Å; V88-M111 HydrophobicContact CB-CE 4.08Å; V88-M111 HydrophobicContact CG1-CB 3.83Å; V88-M111 HydrophobicContact CG1-CE 4.05Å; V88-M111 HydrophobicContact CG1-CG 3.81Å; V89-M111 HydrophobicContact CG2-CE 3.8Å; V89-M111 HydrophobicContact CG2-CG 4.32Å; V89-M111 HydrophobicContact CG2-SD 3.57Å; V89-M111 VanDerWaalsContact CG2-SD 3.57Å; L92-M111 HydrophobicContact CD1-CB 4.31Å; L92-M111 HydrophobicContact CD1-CG 3.67Å; I107-M111 HydrophobicContact CG2-CG 4.22Å; I107-M111 HydrophobicContact CG2-SD 3.97Å; I107-M111 VanDerWaalsContact O-CG 3.29Å; I107-M111 WeakPolarHBondContact O-CG 3.2Å; I107-M111 PolarHBondContact O-N 3.3Å; Y108-M111 HydrophobicContact CD1-SD 4.37Å; Y108-M111 PolarHBondContact O-N 3.09Å; M111-Q113 VanDerWaalsContact C-N 3.35Å; M111-Q113 PolarHBondContact O-N 3.44Å; M111-L114 PolarHBondContact O-N 2.75Å; M111-E115 WeakPolarHBondContact O-CG 3.29Å; M111-E115 PolarHBondContact O-N 3.11Å; M111-Y153 HydrophobicContact CB-CD2 4.24Å; M111-Y153 HydrophobicContact CB-CE2 3.45Å; M111-Y153 VanDerWaalsContact CB-CE2 3.45Å; M111-Y153 HydrophobicContact CE-CD1 3.89Å; M111-Y153 HydrophobicContact CE-CD2 4.31Å; M111-Y153 HydrophobicContact CE-CE1 3.79Å; M111-Y153 HydrophobicContact CE-CE2 4.25Å; M111-Y153 HydrophobicContact CE-CG 4.14Å; M111-Y153 HydrophobicContact CG-CE2 4.41Å; M111-Y153 HydrophobicContact SD-CD2 4.07Å; M111-Y153 HydrophobicContact SD-CE2 4.17Å; M111-Y153 HydrophobicContact SD-CG 4.31Å |
| 112 | F | 95.8 | Very high | 92.3 | Very high | 31 Ų | 31 | 50.1 Ų | 50.1 | 14% | 0.136 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 178.5 | 179.3 | -98.2 | 0 | 0 | 0 | 112.3 | Y108 L109 S116 F135 Y153 K157 I160 N161 | Y108-F112 WeakPolarHBondContact O-CB 3.11Å; Y108-F112 PolarHBondContact O-N 3.46Å; L109-F112 PolarHBondContact O-N 3.08Å; F112-S116 WeakPolarHBondContact O-CB 3.46Å; F112-S116 PolarHBondContact O-N 3.43Å; F112-S116 PolarHBondContact O-OG 3.38Å; F112-F135 HydrophobicContact CB-CE2 3.59Å; F112-F135 HydrophobicContact CB-CZ 3.66Å; F112-F135 AromaticContact CD1-CD2 3.95Å; F112-F135 HydrophobicContact CD1-CD2 3.95Å; F112-F135 AromaticContact CD1-CE2 3.69Å; F112-F135 HydrophobicContact CD1-CE2 3.69Å; F112-F135 AromaticContact CD2-CE2 3.76Å; F112-F135 HydrophobicContact CD2-CE2 3.76Å; F112-F135 HydrophobicContact CE1-CD2 4.3Å; F112-F135 HydrophobicContact CE1-CE2 4.31Å; F112-F135 HydrophobicContact CE2-CE2 4.35Å; F112-F135 HydrophobicContact CG-CD2 4.12Å; F112-F135 AromaticContact CG-CE2 3.38Å; F112-F135 HydrophobicContact CG-CE2 3.38Å; F112-F135 HydrophobicContact CG-CZ 4.01Å; F112-Y153 PolarHBondContact N-OH 3.42Å; F112-K157 HydrophobicContact CD2-CB 4.4Å; F112-K157 HydrophobicContact CD2-CG 4.1Å; F112-K157 HydrophobicContact CE2-CG 4.35Å; F112-I160 HydrophobicContact CZ-CG2 4.42Å; F112-N161 WeakPolarHBondContact CE2-OD1 3.35Å |
| 113 | Q | 94.3 | Very high | 90.8 | Very high | 12 Ų | 12 | 54.1 Ų | 54.1 | 6% | 0.056 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.3 | -41 | 178.4 | -73.3 | 173.5 | -17.7 | 0 | 0 | 112.4 | L109 R110 M111 S116 Q117 V118 L119 N132 | L109-Q113 HydrophobicContact CD1-CG 4.24Å; L109-Q113 WeakPolarHBondContact O-CB 3.21Å; L109-Q113 VanDerWaalsContact O-CG 3.25Å; L109-Q113 WeakPolarHBondContact O-CG 3.3Å; L109-Q113 PolarHBondContact O-N 2.75Å; R110-Q113 PolarHBondContact O-N 3.27Å; M111-Q113 VanDerWaalsContact C-N 3.35Å; M111-Q113 PolarHBondContact O-N 3.44Å; Q113-S116 PolarHBondContact O-N 3.3Å; Q113-Q117 PolarHBondContact O-N 3.25Å; Q113-Q117 VanDerWaalsContact O-N 3.15Å; Q113-V118 HydrophobicContact CB-CG2 4.19Å; Q113-V118 HydrophobicContact CG-CG2 4.24Å; Q113-V118 PolarHBondContact O-N 3.28Å; Q113-L119 HydrophobicContact CB-CB 4.32Å; Q113-L119 HydrophobicContact CB-CD1 3.83Å; Q113-L119 PolarHBondContact O-N 3.26Å; Q113-L119 VanDerWaalsContact O-N 3.15Å; Q113-N132 PolarHBondContact NE2-OD1 3.26Å; Q113-N132 VanDerWaalsContact NE2-OD1 3.16Å |
| 114 | L | 95.6 | Very high | 89.2 | Confident | 50 Ų | 50 | 55.4 Ų | 55.4 | 26% | 0.262 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.5 | -50.3 | 177 | 178.2 | 55 | 0 | 0 | 0 | 111.1 | V88 A91 L92 R110 M111 S116 Q117 L119 | V88-L114 HydrophobicContact CG1-CD2 4.03Å; A91-L114 HydrophobicContact CB-CD2 4.37Å; L92-L114 HydrophobicContact CD2-CB 4.3Å; L92-L114 HydrophobicContact CD2-CD2 3.81Å; L92-L114 HydrophobicContact CG-CD2 3.85Å; R110-L114 WeakPolarHBondContact O-CB 3.39Å; R110-L114 PolarHBondContact O-N 2.81Å; M111-L114 PolarHBondContact O-N 2.75Å; L114-S116 VanDerWaalsContact C-N 3.28Å; L114-S116 PolarHBondContact O-N 3.44Å; L114-Q117 PolarHBondContact O-N 3.3Å; L114-Q117 VanDerWaalsContact O-N 3.11Å; L114-L119 HydrophobicContact CB-CD2 4.28Å; L114-L119 HydrophobicContact CD1-CD2 4.08Å |
| 115 | E | 95.3 | Very high | 87.6 | Confident | 50 Ų | 50 | 56 Ų | 56 | 23% | 0.234 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.7 | -29.2 | 179.9 | -68.3 | -168.4 | 115.5 | 0 | 0 | 113 | Q84 V88 M111 Q117 Y153 K157 | Q84-E115 PolarHBondContact NE2-OE1 3.31Å; V88-E115 HydrophobicContact CG1-CG 4.3Å; V88-E115 HydrophobicContact CG2-CG 4.03Å; M111-E115 WeakPolarHBondContact O-CG 3.29Å; M111-E115 PolarHBondContact O-N 3.11Å; E115-Q117 VanDerWaalsContact C-N 3.27Å; E115-Y153 PolarHBondContact OE2-OH 2.93Å; E115-K157 IonicContact OE1-NZ 3.54Å; E115-K157 PolarHBondContact OE1-NZ 3.33Å; E115-K157 WeakPolarHBondContact OE2-CE 3.47Å; E115-K157 IonicContact OE2-NZ 3.53Å; E115-K157 PolarHBondContact OE2-NZ 3.33Å |
| 116 | S | 92.3 | Very high | 85.8 | Confident | 48 Ų | 48 | 61.7 Ų | 61.7 | 34% | 0.336 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 3 | 175.7 | -53.8 | 0 | 0 | 0 | 0 | 113.1 | F112 Q113 L114 V118 | F112-S116 WeakPolarHBondContact O-CB 3.46Å; F112-S116 PolarHBondContact O-N 3.43Å; F112-S116 PolarHBondContact O-OG 3.38Å; Q113-S116 PolarHBondContact O-N 3.3Å; L114-S116 VanDerWaalsContact C-N 3.28Å; L114-S116 PolarHBondContact O-N 3.44Å; S116-V118 PolarHBondContact O-N 3.45Å |
| 117 | Q | 93.5 | Very high | 84.1 | Confident | 183 Ų | 183 | 64.1 Ų | 64.1 | 86% | 0.855 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 31.7 | -179.5 | -54.6 | -176.1 | -10.6 | 0 | 0 | 114.3 | Q113 L114 E115 | Q113-Q117 PolarHBondContact O-N 3.25Å; Q113-Q117 VanDerWaalsContact O-N 3.15Å; L114-Q117 PolarHBondContact O-N 3.3Å; L114-Q117 VanDerWaalsContact O-N 3.11Å; E115-Q117 VanDerWaalsContact C-N 3.27Å |
| 118 | V | 91.1 | Very high | 82.2 | Confident | 94 Ų | 94 | 65.1 Ų | 65.1 | 57% | 0.57 | 35% | 0.35 | S | S | * | . | trans | -122.1 | 17.9 | 178.8 | -62 | 0 | 0 | 0 | 0 | 112.3 | Q113 S116 P120 | Q113-V118 HydrophobicContact CB-CG2 4.19Å; Q113-V118 HydrophobicContact CG-CG2 4.24Å; Q113-V118 PolarHBondContact O-N 3.28Å; S116-V118 PolarHBondContact O-N 3.45Å; V118-P120 WeakPolarHBondContact O-CD 3.48Å | ||
| 119 | L | 90.5 | Very high | 80.4 | Confident | 36 Ų | 36 | 69.5 Ų | 69.5 | 19% | 0.188 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 117.5 | 177.7 | -168.8 | 72 | 0 | 0 | 0 | 109.9 | L92 M95 Y97 R110 Q113 L114 | L92-L119 HydrophobicContact CD2-CD1 4.37Å; L92-L119 HydrophobicContact CD2-CD2 4.02Å; M95-L119 HydrophobicContact CE-CD2 4.02Å; Y97-L119 HydrophobicContact CD1-CD1 4.04Å; Y97-L119 HydrophobicContact CD1-CD2 4.19Å; Y97-L119 HydrophobicContact CD1-CG 4.24Å; Y97-L119 HydrophobicContact CD2-CD2 4.17Å; Y97-L119 HydrophobicContact CE1-CD1 4.08Å; Y97-L119 HydrophobicContact CE1-CD2 3.92Å; Y97-L119 HydrophobicContact CE1-CG 3.83Å; Y97-L119 HydrophobicContact CE2-CD2 3.9Å; Y97-L119 HydrophobicContact CG-CD2 4.3Å; R110-L119 HydrophobicContact CB-CD1 4.47Å; Q113-L119 HydrophobicContact CB-CB 4.32Å; Q113-L119 HydrophobicContact CB-CD1 3.83Å; Q113-L119 PolarHBondContact O-N 3.26Å; Q113-L119 VanDerWaalsContact O-N 3.15Å; L114-L119 HydrophobicContact CB-CD2 4.28Å; L114-L119 HydrophobicContact CD1-CD2 4.08Å |
| 120 | P | 85.7 | Confident | 78.8 | Confident | 39 Ų | 39 | 76.2 Ų | 76.2 | 25% | 0.253 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 161.8 | 179.2 | 29.7 | -35.4 | 0 | 0 | 0 | 110 | Y97 V118 T125 | Y97-P120 VanDerWaalsContact CE1-O 3.23Å; Y97-P120 WeakPolarHBondContact CE1-O 3.01Å; Y97-P120 PolarHBondContact OH-O 3.45Å; V118-P120 WeakPolarHBondContact O-CD 3.48Å; P120-T125 HydrophobicContact CG-CG2 4.47Å |
| 121 | R | 80.6 | Confident | 77.3 | Confident | 172 Ų | 172 | 82.5 Ų | 82.5 | 65% | 0.649 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -64 | 144 | 173.8 | -66.3 | 178.8 | -178.9 | 155 | -2.8 | 110.3 | S123 E124 T125 | R121-S123 PolarHBondContact O-N 3.47Å; R121-E124 HydrophobicContact CB-CB 4.36Å; R121-E124 HydrophobicContact CB-CG 4.22Å; R121-E124 IonicContact NH1-OE1 2.69Å; R121-E124 CarbonylContact O-C 3.53Å; R121-E124 WeakPolarHBondContact O-CA 3.34Å; R121-E124 WeakPolarHBondContact O-CB 3.34Å; R121-E124 PolarHBondContact O-N 2.96Å; R121-T125 PolarHBondContact O-N 3.07Å |
| 122 | C | 71.1 | Confident | 76.7 | Confident | 51 Ų | 51 | 84.3 Ų | 84.3 | 35% | 0.345 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -56.4 | -38.3 | -177.6 | -139.5 | 0 | 0 | 0 | 0 | 112.5 | Y97 E124 T125 | Y97-C122 HydrophobicContact CE1-CB 4.11Å; Y97-C122 HydrophobicContact CE2-CB 4.1Å; Y97-C122 PolarHBondContact OH-N 3.13Å; C122-E124 PolarHBondContact O-N 3.21Å; C122-T125 PolarHBondContact O-N 3.26Å; C122-T125 PolarHBondContact O-OG1 3.11Å |
| 123 | S | 61.5 | Low | 76.4 | Confident | 113 Ų | 113 | 85.1 Ų | 85.1 | 79% | 0.79 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -66.3 | -17.5 | 174.2 | 55.1 | 0 | 0 | 0 | 0 | 115.1 | R121 | R121-S123 PolarHBondContact O-N 3.47Š|
| 124 | E | 61.4 | Low | 76.2 | Confident | 100 Ų | 100 | 86 Ų | 86 | 47% | 0.467 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -105.7 | 9.5 | -178.4 | -64.3 | 167.4 | -168.6 | 0 | 0 | 111.6 | R121 C122 L126 | R121-E124 HydrophobicContact CB-CB 4.36Å; R121-E124 HydrophobicContact CB-CG 4.22Å; R121-E124 IonicContact NH1-OE1 2.69Å; R121-E124 CarbonylContact O-C 3.53Å; R121-E124 WeakPolarHBondContact O-CA 3.34Å; R121-E124 WeakPolarHBondContact O-CB 3.34Å; R121-E124 PolarHBondContact O-N 2.96Å; C122-E124 PolarHBondContact O-N 3.21Å; E124-L126 PolarHBondContact O-N 2.72Å |
| 125 | T | 61 | Low | 76.1 | Confident | 60 Ų | 60 | 84.3 Ų | 84.3 | 37% | 0.368 | 45% | 0.451 | S | S | . | . | trans | -69.7 | 71.5 | 173.1 | 55.5 | 0 | 0 | 0 | 0 | 110.8 | Y97 P120 R121 C122 | Y97-T125 HydrophobicContact CD1-CG2 4.34Å; Y97-T125 HydrophobicContact CE1-CG2 4.16Å; P120-T125 HydrophobicContact CG-CG2 4.47Å; R121-T125 PolarHBondContact O-N 3.07Å; C122-T125 PolarHBondContact O-N 3.26Å; C122-T125 PolarHBondContact O-OG1 3.11Å | ||
| 126 | L | 56 | Low | 76.2 | Confident | 128 Ų | 128 | 81.9 Ų | 81.9 | 67% | 0.67 | 44% | 0.44 | S | S | * | . | trans | -61.9 | 159.5 | 164.3 | -76.8 | 160.7 | 0 | 0 | 0 | 109.5 | E124 | E124-L126 PolarHBondContact O-N 2.72Š| ||
| 127 | P | 58.3 | Low | 76.4 | Confident | 102 Ų | 102 | 80 Ų | 80 | 66% | 0.662 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -49.2 | 147.9 | 169.9 | 21.2 | -32.2 | 0 | 0 | 0 | 110 | N129 | P127-N129 PolarHBondContact O-N 2.98Š|
| 128 | P | 57.1 | Low | 76.5 | Confident | 52 Ų | 52 | 71.6 Ų | 71.6 | 34% | 0.338 | 39% | 0.387 | S | S | . | . | trans | -51.3 | 111.4 | -173.6 | 18.6 | -29.9 | 0 | 0 | 0 | 110.2 | N132 L136 | P128-N132 HydrophobicContact CB-CB 4.07Å; P128-L136 HydrophobicContact CB-CD1 3.64Å; P128-L136 HydrophobicContact CG-CD1 3.92Å | ||
| 129 | N | 60.2 | Low | 76.8 | Confident | 101 Ų | 101 | 67.1 Ų | 67.1 | 54% | 0.54 | 36% | 0.36 | S | S | . | . | trans | -56 | 160.3 | 172.6 | -102.5 | 3.9 | 0 | 0 | 0 | 110.4 | P127 E131 N132 E133 | P127-N129 PolarHBondContact O-N 2.98Å; N129-E131 PolarHBondContact O-N 3.12Å; N129-N132 PolarHBondContact O-N 2.97Å; N129-E133 PolarHBondContact O-N 3.46Å | ||
| 130 | D | 60.2 | Low | 77.2 | Confident | 146 Ų | 146 | 70 Ų | 70 | 78% | 0.781 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -49.3 | -29.3 | 175.1 | -72.4 | -24.8 | 0 | 0 | 0 | 113.3 | E133 | D130-E133 PolarHBondContact O-N 3.39Å |
| 131 | E | 65.4 | Low | 77.8 | Confident | 165 Ų | 165 | 68.2 Ų | 68.2 | 77% | 0.771 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -65.8 | -34 | 176.1 | -64.7 | -176 | 163.1 | 0 | 0 | 113.7 | N129 | N129-E131 PolarHBondContact O-N 3.12Å |
| 132 | N | 84 | Confident | 78.6 | Confident | 38 Ų | 38 | 60 Ų | 60 | 20% | 0.203 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -83.9 | -17.9 | 177.8 | -64.6 | -51.5 | 0 | 0 | 0 | 112.1 | L109 Q113 P128 N129 D134 F135 L136 | L109-N132 HydrophobicContact CD1-CB 4.34Å; L109-N132 HydrophobicContact CD2-CB 3.91Å; Q113-N132 PolarHBondContact NE2-OD1 3.26Å; Q113-N132 VanDerWaalsContact NE2-OD1 3.16Å; P128-N132 HydrophobicContact CB-CB 4.07Å; N129-N132 PolarHBondContact O-N 2.97Å; N132-D134 VanDerWaalsContact C-N 3.26Å; N132-D134 PolarHBondContact O-N 2.86Å; N132-F135 WeakPolarHBondContact O-CB 3.41Å; N132-F135 PolarHBondContact O-N 3.43Å; N132-L136 WeakPolarHBondContact O-CG 3.48Å; N132-L136 PolarHBondContact O-N 2.92Å |
| 133 | E | 88.8 | Confident | 79.9 | Confident | 47 Ų | 47 | 60.7 Ų | 60.7 | 22% | 0.22 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.4 | -28.8 | -176.1 | -173.6 | 55.1 | -153.8 | 0 | 0 | 111.9 | N129 D130 L136 A137 R140 | N129-E133 PolarHBondContact O-N 3.46Å; D130-E133 PolarHBondContact O-N 3.39Å; E133-L136 PolarHBondContact O-N 3.4Å; E133-A137 VanDerWaalsContact O-CB 3.24Å; E133-A137 WeakPolarHBondContact O-CB 3.42Å; E133-A137 PolarHBondContact O-N 2.81Å; E133-R140 IonicContact OE1-CZ 3.24Å; E133-R140 IonicContact OE1-NH1 3.25Å; E133-R140 PolarHBondContact OE1-NH1 2.93Å; E133-R140 IonicContact OE1-NH2 2.65Å; E133-R140 IonicContact OE2-NH1 2.96Å; E133-R140 IonicContact OE2-NH2 3.27Å; E133-R140 PolarHBondContact OE2-NH2 3.16Å |
| 134 | D | 91.1 | Very high | 81.6 | Confident | 30 Ų | 30 | 62 Ų | 62 | 16% | 0.16 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 172.3 | -70.9 | -9.5 | 0 | 0 | 0 | 111.2 | N132 I138 K209 R210 | N132-D134 VanDerWaalsContact C-N 3.26Å; N132-D134 PolarHBondContact O-N 2.86Å; D134-I138 WeakPolarHBondContact O-CG1 3.35Å; D134-I138 PolarHBondContact O-N 3.17Å; D134-K209 WeakPolarHBondContact OD2-CD 3.3Å; D134-R210 HydrophobicContact CB-CG 4.27Å; D134-R210 WeakPolarHBondContact OD1-CG 3.34Å; D134-R210 IonicContact OD1-CZ 3.77Å; D134-R210 IonicContact OD1-NE 3.55Å; D134-R210 PolarHBondContact OD1-NE 3.45Å; D134-R210 IonicContact OD1-NH2 3.63Å; D134-R210 PolarHBondContact OD1-NH2 3.48Å |
| 135 | F | 94 | Very high | 83.3 | Confident | 15 Ų | 15 | 58.4 Ų | 58.4 | 7% | 0.066 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.6 | -47.2 | 175.1 | -177.4 | -78.3 | 0 | 0 | 0 | 111.4 | L109 F112 N132 A137 I138 S139 I156 I160 | L109-F135 VanDerWaalsContact CA-CE1 3.4Å; L109-F135 HydrophobicContact CB-CD1 3.9Å; L109-F135 HydrophobicContact CB-CE1 3.79Å; L109-F135 HydrophobicContact CD1-CB 4.2Å; L109-F135 HydrophobicContact CD1-CD1 3.61Å; L109-F135 HydrophobicContact CD1-CD2 4.45Å; L109-F135 HydrophobicContact CD1-CE1 4.12Å; L109-F135 HydrophobicContact CD1-CG 3.83Å; L109-F135 HydrophobicContact CG-CD1 4.33Å; F112-F135 HydrophobicContact CB-CE2 3.59Å; F112-F135 HydrophobicContact CB-CZ 3.66Å; F112-F135 AromaticContact CD1-CD2 3.95Å; F112-F135 HydrophobicContact CD1-CD2 3.95Å; F112-F135 AromaticContact CD1-CE2 3.69Å; F112-F135 HydrophobicContact CD1-CE2 3.69Å; F112-F135 AromaticContact CD2-CE2 3.76Å; F112-F135 HydrophobicContact CD2-CE2 3.76Å; F112-F135 HydrophobicContact CE1-CD2 4.3Å; F112-F135 HydrophobicContact CE1-CE2 4.31Å; F112-F135 HydrophobicContact CE2-CE2 4.35Å; F112-F135 HydrophobicContact CG-CD2 4.12Å; F112-F135 AromaticContact CG-CE2 3.38Å; F112-F135 HydrophobicContact CG-CE2 3.38Å; F112-F135 HydrophobicContact CG-CZ 4.01Å; N132-F135 WeakPolarHBondContact O-CB 3.41Å; N132-F135 PolarHBondContact O-N 3.43Å; F135-A137 PolarHBondContact O-N 3.1Å; F135-I138 PolarHBondContact O-N 3.25Å; F135-S139 VanDerWaalsContact CD1-OG 3.27Å; F135-S139 WeakPolarHBondContact CD1-OG 3.24Å; F135-S139 WeakPolarHBondContact CE1-OG 3.32Å; F135-S139 WeakPolarHBondContact O-CB 3.49Å; F135-S139 PolarHBondContact O-N 3.38Å; F135-S139 PolarHBondContact O-OG 3.43Å; F135-I156 HydrophobicContact CE1-CG2 4.09Å; F135-I156 HydrophobicContact CE2-CG2 3.8Å; F135-I156 HydrophobicContact CZ-CG2 3.53Å; F135-I160 HydrophobicContact CB-CD1 4.29Å; F135-I160 HydrophobicContact CD2-CD1 3.22Å; F135-I160 HydrophobicContact CE2-CD1 3.61Å; F135-I160 HydrophobicContact CG-CD1 3.9Å |
| 136 | L | 95.6 | Very high | 85 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.5 | -38.5 | -178.1 | -70.6 | 172.6 | 0 | 0 | 0 | 111.8 | L109 P128 N132 E133 S139 R140 | L109-L136 HydrophobicContact CB-CD2 4.22Å; L109-L136 HydrophobicContact CD2-CD1 4.4Å; L109-L136 HydrophobicContact CD2-CD2 4.11Å; L109-L136 HydrophobicContact CD2-CG 4.24Å; P128-L136 HydrophobicContact CB-CD1 3.64Å; P128-L136 HydrophobicContact CG-CD1 3.92Å; N132-L136 WeakPolarHBondContact O-CG 3.48Å; N132-L136 PolarHBondContact O-N 2.92Å; E133-L136 PolarHBondContact O-N 3.4Å; L136-S139 PolarHBondContact O-N 3.2Å; L136-R140 VanDerWaalsContact O-CG 3.31Å; L136-R140 WeakPolarHBondContact O-CG 3.43Å; L136-R140 PolarHBondContact O-N 3.44Å |
| 137 | A | 96.1 | Very high | 86.9 | Confident | 7 Ų | 7 | 58 Ų | 58 | 6% | 0.058 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.7 | -48.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | E133 F135 S139 R140 A141 R210 A213 | E133-A137 VanDerWaalsContact O-CB 3.24Å; E133-A137 WeakPolarHBondContact O-CB 3.42Å; E133-A137 PolarHBondContact O-N 2.81Å; F135-A137 PolarHBondContact O-N 3.1Å; A137-S139 VanDerWaalsContact C-N 3.29Å; A137-S139 PolarHBondContact O-N 2.85Å; A137-R140 PolarHBondContact O-N 2.91Å; A137-A141 PolarHBondContact O-N 3.45Å; A137-R210 HydrophobicContact CB-CG 4.3Å; A137-A213 HydrophobicContact CB-CB 4.15Å; A137-A213 WeakPolarHBondContact O-CB 3.32Å |
| 138 | I | 97.3 | Very high | 88.8 | Confident | 7 Ų | 7 | 56.6 Ų | 56.6 | 4% | 0.036 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62 | -40 | 175.8 | -66.5 | 168.3 | 0 | 0 | 0 | 110.6 | D134 F135 A141 M142 F159 I160 A213 W225 | D134-I138 WeakPolarHBondContact O-CG1 3.35Å; D134-I138 PolarHBondContact O-N 3.17Å; F135-I138 PolarHBondContact O-N 3.25Å; I138-A141 PolarHBondContact O-N 3.46Å; I138-M142 WeakPolarHBondContact O-CB 3.34Å; I138-M142 PolarHBondContact O-N 3.18Å; I138-F159 HydrophobicContact CD1-CD1 4.44Å; I138-F159 HydrophobicContact CD1-CE1 4.18Å; I138-F159 HydrophobicContact CG2-CD1 3.9Å; I138-F159 HydrophobicContact CG2-CE1 4.19Å; I138-I160 HydrophobicContact CB-CD1 4.41Å; I138-I160 HydrophobicContact CD1-CD1 4.23Å; I138-I160 HydrophobicContact CD1-CG1 3.93Å; I138-I160 HydrophobicContact CG2-CD1 4.28Å; I138-I160 HydrophobicContact CG2-CG1 4.25Å; I138-A213 HydrophobicContact CG1-CB 4.28Å; I138-W225 HydrophobicContact CG2-CH2 4Å; I138-W225 HydrophobicContact CG2-CZ2 4.42Å |
| 139 | S | 97.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.6 | -44.7 | -179.9 | -59 | 0 | 0 | 0 | 0 | 112.7 | F135 L136 A137 M142 E143 | F135-S139 VanDerWaalsContact CD1-OG 3.27Å; F135-S139 WeakPolarHBondContact CD1-OG 3.24Å; F135-S139 WeakPolarHBondContact CE1-OG 3.32Å; F135-S139 WeakPolarHBondContact O-CB 3.49Å; F135-S139 PolarHBondContact O-N 3.38Å; F135-S139 PolarHBondContact O-OG 3.43Å; L136-S139 PolarHBondContact O-N 3.2Å; A137-S139 VanDerWaalsContact C-N 3.29Å; A137-S139 PolarHBondContact O-N 2.85Å; S139-M142 PolarHBondContact O-N 3.49Å; S139-E143 WeakPolarHBondContact O-CB 3.49Å; S139-E143 PolarHBondContact O-N 2.85Å |
| 140 | R | 97.9 | Very high | 92.5 | Very high | 97 Ų | 97 | 53 Ų | 53 | 37% | 0.366 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | 176.4 | -68.8 | 174 | -156.5 | 123.5 | -1 | 110.9 | T105 E133 L136 A137 M142 E143 E144 | T105-R140 HydrophobicContact CG2-CG 3.86Å; E133-R140 IonicContact OE1-CZ 3.24Å; E133-R140 IonicContact OE1-NH1 3.25Å; E133-R140 PolarHBondContact OE1-NH1 2.93Å; E133-R140 IonicContact OE1-NH2 2.65Å; E133-R140 IonicContact OE2-NH1 2.96Å; E133-R140 IonicContact OE2-NH2 3.27Å; E133-R140 PolarHBondContact OE2-NH2 3.16Å; L136-R140 VanDerWaalsContact O-CG 3.31Å; L136-R140 WeakPolarHBondContact O-CG 3.43Å; L136-R140 PolarHBondContact O-N 3.44Å; A137-R140 PolarHBondContact O-N 2.91Å; R140-M142 VanDerWaalsContact C-N 3.34Å; R140-M142 PolarHBondContact O-N 2.89Å; R140-E143 PolarHBondContact O-N 3.35Å; R140-E144 PolarHBondContact O-N 3.27Å |
| 141 | A | 98.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.5 | -37 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | A137 I138 I145 A213 E218 L221 W225 | A137-A141 PolarHBondContact O-N 3.45Å; I138-A141 PolarHBondContact O-N 3.46Å; A141-I145 VanDerWaalsContact O-CD1 3.3Å; A141-I145 WeakPolarHBondContact O-CD1 3.4Å; A141-I145 VanDerWaalsContact O-CG1 3.24Å; A141-I145 WeakPolarHBondContact O-CG1 3.15Å; A141-I145 PolarHBondContact O-N 3.38Å; A141-A213 HydrophobicContact CB-CB 3.96Å; A141-E218 HydrophobicContact CB-CG 4.15Å; A141-L221 HydrophobicContact CB-CD2 3.87Å; A141-W225 HydrophobicContact CB-CH2 3.64Å; A141-W225 HydrophobicContact CB-CZ2 4.24Å; A141-W225 HydrophobicContact CB-CZ3 4.37Å |
| 142 | M | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -71.4 | -35.8 | 177 | -159.6 | 74.8 | 71.7 | 0 | 0 | 112.3 | W60 I138 S139 R140 E144 I145 V146 L155 I156 F159 W225 | W60-M142 HydrophobicContact CE3-SD 4.26Å; W60-M142 HydrophobicContact CZ3-SD 3.67Å; I138-M142 WeakPolarHBondContact O-CB 3.34Å; I138-M142 PolarHBondContact O-N 3.18Å; S139-M142 PolarHBondContact O-N 3.49Å; R140-M142 VanDerWaalsContact C-N 3.34Å; R140-M142 PolarHBondContact O-N 2.89Å; M142-E144 VanDerWaalsContact C-N 3.32Å; M142-E144 PolarHBondContact O-N 3.03Å; M142-I145 PolarHBondContact O-N 2.97Å; M142-I145 VanDerWaalsContact O-N 3.13Å; M142-V146 HydrophobicContact CG-CG2 3.93Å; M142-V146 WeakPolarHBondContact O-CB 3.33Å; M142-V146 WeakPolarHBondContact O-CG2 3.35Å; M142-V146 PolarHBondContact O-N 2.98Å; M142-V146 HydrophobicContact SD-CG2 4.09Å; M142-L155 HydrophobicContact CE-CB 4.19Å; M142-L155 HydrophobicContact CG-CB 4.16Å; M142-L155 HydrophobicContact SD-CB 4.01Å; M142-I156 HydrophobicContact CB-CD1 4.11Å; M142-I156 HydrophobicContact CB-CG1 3.58Å; M142-I156 HydrophobicContact CG-CG1 3.79Å; M142-F159 HydrophobicContact CE-CB 4.19Å; M142-F159 HydrophobicContact CE-CG 4.33Å; M142-W225 HydrophobicContact CB-CZ3 4.34Å; M142-W225 HydrophobicContact CE-CE3 3.89Å; M142-W225 HydrophobicContact CE-CH2 4.25Å; M142-W225 HydrophobicContact CE-CZ3 3.44Å; M142-W225 VanDerWaalsContact CE-CZ3 3.44Å; M142-W225 HydrophobicContact SD-CE3 4.17Å; M142-W225 HydrophobicContact SD-CZ3 3.73Å |
| 143 | E | 97.8 | Very high | 96.6 | Very high | 65 Ų | 65 | 38.1 Ų | 38.1 | 30% | 0.304 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.6 | -37.7 | 177.1 | -175.7 | 172.2 | -136 | 0 | 0 | 112 | S104 T105 S139 R140 I145 | S104-E143 WeakPolarHBondContact CB-OE1 3.41Å; S104-E143 PolarHBondContact OG-OE1 3.35Å; T105-E143 WeakPolarHBondContact CG2-OE2 3.48Å; S139-E143 WeakPolarHBondContact O-CB 3.49Å; S139-E143 PolarHBondContact O-N 2.85Å; R140-E143 PolarHBondContact O-N 3.35Å; E143-I145 VanDerWaalsContact C-N 3.3Å; E143-I145 PolarHBondContact O-N 3.18Å |
| 144 | E | 97.3 | Very high | 97 | Very high | 140 Ų | 140 | 36.1 Ų | 36.1 | 65% | 0.654 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -71.7 | -21.7 | 174.4 | -67.9 | -67.2 | 151.3 | 0 | 0 | 113.4 | R140 M142 E218 | R140-E144 PolarHBondContact O-N 3.27Å; M142-E144 VanDerWaalsContact C-N 3.32Å; M142-E144 PolarHBondContact O-N 3.03Å; E144-E218 HydrophobicContact CB-CB 4.21Å; E144-E218 HydrophobicContact CB-CG 3.79Å; E144-E218 HydrophobicContact CG-CG 4.42Å |
| 145 | I | 97.3 | Very high | 97.4 | Very high | 26 Ų | 26 | 34.7 Ų | 34.7 | 13% | 0.133 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -91.5 | -28.7 | 179.4 | -63.5 | 165.5 | 0 | 0 | 0 | 111.6 | I57 W60 A141 M142 E143 E218 Q222 W225 | I57-I145 HydrophobicContact CD1-CG2 4.33Å; W60-I145 HydrophobicContact CH2-CD1 4.39Å; W60-I145 HydrophobicContact CH2-CG2 4.19Å; W60-I145 HydrophobicContact CZ3-CG2 4.1Å; A141-I145 VanDerWaalsContact O-CD1 3.3Å; A141-I145 WeakPolarHBondContact O-CD1 3.4Å; A141-I145 VanDerWaalsContact O-CG1 3.24Å; A141-I145 WeakPolarHBondContact O-CG1 3.15Å; A141-I145 PolarHBondContact O-N 3.38Å; M142-I145 PolarHBondContact O-N 2.97Å; M142-I145 VanDerWaalsContact O-N 3.13Å; E143-I145 VanDerWaalsContact C-N 3.3Å; E143-I145 PolarHBondContact O-N 3.18Å; I145-E218 HydrophobicContact CD1-CB 4.29Å; I145-E218 HydrophobicContact CD1-CG 4.48Å; I145-E218 HydrophobicContact CG1-CB 3.86Å; I145-E218 HydrophobicContact CG1-CG 4.29Å; I145-Q222 HydrophobicContact CD1-CB 4.05Å; I145-Q222 HydrophobicContact CG1-CB 4.5Å; I145-W225 HydrophobicContact CD1-CE3 4.01Å; I145-W225 HydrophobicContact CD1-CZ3 3.94Å |
| 146 | V | 97.4 | Very high | 97.6 | Very high | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.042 | 17% | 0.172 | C | C | . | . | trans | -126.9 | 108.9 | -166.7 | -169.8 | 0 | 0 | 0 | 0 | 111 | I57 M142 D151 C152 L155 | I57-V146 HydrophobicContact CD1-CG2 3.71Å; M142-V146 HydrophobicContact CG-CG2 3.93Å; M142-V146 WeakPolarHBondContact O-CB 3.33Å; M142-V146 WeakPolarHBondContact O-CG2 3.35Å; M142-V146 PolarHBondContact O-N 2.98Å; M142-V146 HydrophobicContact SD-CG2 4.09Å; V146-D151 HydrophobicContact CG1-CB 3.94Å; V146-C152 HydrophobicContact CB-CB 4.08Å; V146-C152 HydrophobicContact CG1-CB 4.06Å; V146-L155 HydrophobicContact CG1-CD1 4.16Å; V146-L155 HydrophobicContact CG2-CD1 3.68Å | ||
| 147 | D | 95.1 | Very high | 97.6 | Very high | 171 Ų | 171 | 35.3 Ų | 35.3 | 91% | 0.914 | 18% | 0.178 | S | C | * | . | trans | -68.3 | -36.5 | -178.5 | -59.3 | -43.2 | 0 | 0 | 0 | 113.7 | S149 | D147-S149 PolarHBondContact O-N 3.27Š| ||
| 148 | D | 97.6 | Very high | 97.7 | Very high | 73 Ų | 73 | 36 Ų | 36 | 39% | 0.39 | 18% | 0.182 | S | C | . | . | trans | -80.8 | 118.9 | -177.5 | 178.6 | -98.2 | 0 | 0 | 0 | 111.2 | I150 D151 C152 | D148-I150 VanDerWaalsContact C-N 3.29Å; D148-I150 PolarHBondContact O-N 2.92Å; D148-I150 WeakPolarHBondContact OD1-CB 3.4Å; D148-I150 PolarHBondContact OD1-N 2.8Å; D148-I150 VanDerWaalsContact OD1-N 3.16Å; D148-D151 HydrophobicContact CB-CB 4.14Å; D148-D151 PolarHBondContact O-N 2.88Å; D148-D151 WeakPolarHBondContact OD1-CB 3.4Å; D148-D151 PolarHBondContact OD1-N 3.23Å; D148-C152 VanDerWaalsContact O-CB 3.24Å; D148-C152 WeakPolarHBondContact O-CB 3.4Å; D148-C152 PolarHBondContact O-N 3.36Å | ||
| 149 | S | 97.3 | Very high | 97.7 | Very high | 50 Ų | 50 | 35.8 Ų | 35.8 | 35% | 0.35 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.2 | -33.7 | -177.2 | 59 | 0 | 0 | 0 | 0 | 114.6 | D147 Y153 | D147-S149 PolarHBondContact O-N 3.27Å; S149-Y153 PolarHBondContact O-N 3.34Å |
| 150 | I | 98 | Very high | 97.5 | Very high | 27 Ų | 27 | 36.5 Ų | 36.5 | 14% | 0.138 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -72.4 | -52.4 | -178.8 | -61.7 | 160 | 0 | 0 | 0 | 108.7 | K82 Y85 D148 C152 Y153 W154 | K82-I150 HydrophobicContact CB-CD1 4.06Å; K82-I150 HydrophobicContact CD-CD1 3.98Å; K82-I150 HydrophobicContact CG-CD1 3.67Å; Y85-I150 HydrophobicContact CD1-CG1 4.02Å; Y85-I150 HydrophobicContact CD2-CG1 4.37Å; Y85-I150 HydrophobicContact CE1-CG1 4.39Å; Y85-I150 HydrophobicContact CG-CG1 4.03Å; D148-I150 VanDerWaalsContact C-N 3.29Å; D148-I150 PolarHBondContact O-N 2.92Å; D148-I150 WeakPolarHBondContact OD1-CB 3.4Å; D148-I150 PolarHBondContact OD1-N 2.8Å; D148-I150 VanDerWaalsContact OD1-N 3.16Å; I150-C152 VanDerWaalsContact C-N 3.26Å; I150-C152 PolarHBondContact O-N 3.14Å; I150-Y153 PolarHBondContact O-N 3.29Å; I150-W154 PolarHBondContact O-N 3.34Å |
| 151 | D | 98.2 | Very high | 97.2 | Very high | 35 Ų | 35 | 34.4 Ų | 34.4 | 19% | 0.187 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.2 | -42.2 | 174.5 | -80.1 | -15.8 | 0 | 0 | 0 | 110.9 | I57 K61 V146 D148 W154 L155 | I57-D151 HydrophobicContact CG2-CB 4.44Å; K61-D151 HydrophobicContact CD-CB 4.48Å; K61-D151 WeakPolarHBondContact CD-OD1 3.32Å; K61-D151 IonicContact NZ-OD1 3.44Å; K61-D151 PolarHBondContact NZ-OD1 2.94Å; K61-D151 IonicContact NZ-OD2 3.73Å; K61-D151 PolarHBondContact NZ-OD2 3.34Å; V146-D151 HydrophobicContact CG1-CB 3.94Å; D148-D151 HydrophobicContact CB-CB 4.14Å; D148-D151 PolarHBondContact O-N 2.88Å; D148-D151 WeakPolarHBondContact OD1-CB 3.4Å; D148-D151 PolarHBondContact OD1-N 3.23Å; D151-W154 PolarHBondContact O-N 3.48Å; D151-L155 VanDerWaalsContact O-CB 3.25Å; D151-L155 WeakPolarHBondContact O-CB 3.35Å; D151-L155 WeakPolarHBondContact O-CG 3.32Å; D151-L155 PolarHBondContact O-N 2.95Å |
| 152 | C | 98.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.9 | -52.5 | 178.1 | -170.4 | 0 | 0 | 0 | 0 | 111.1 | V146 D148 I150 W154 L155 I156 | V146-C152 HydrophobicContact CB-CB 4.08Å; V146-C152 HydrophobicContact CG1-CB 4.06Å; D148-C152 VanDerWaalsContact O-CB 3.24Å; D148-C152 WeakPolarHBondContact O-CB 3.4Å; D148-C152 PolarHBondContact O-N 3.36Å; I150-C152 VanDerWaalsContact C-N 3.26Å; I150-C152 PolarHBondContact O-N 3.14Å; C152-W154 PolarHBondContact O-N 3.27Å; C152-L155 PolarHBondContact O-N 2.96Å; C152-I156 WeakPolarHBondContact O-CD1 3.43Å; C152-I156 VanDerWaalsContact O-CG1 3.24Å; C152-I156 WeakPolarHBondContact O-CG1 3.3Å; C152-I156 PolarHBondContact O-N 3.44Å |
| 153 | Y | 98.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.3 | -49.4 | 177.3 | 174.1 | -109.9 | 0 | 0 | 0 | 112.6 | Y85 Y108 M111 F112 E115 S149 I150 L155 I156 K157 | Y85-Y153 AromaticContact CD2-CD1 3.83Å; Y85-Y153 HydrophobicContact CD2-CD1 3.83Å; Y85-Y153 AromaticContact CD2-CG 3.98Å; Y85-Y153 HydrophobicContact CD2-CG 3.98Å; Y85-Y153 HydrophobicContact CE2-CD1 4.38Å; Y85-Y153 HydrophobicContact CE2-CG 4.06Å; Y108-Y153 AromaticContact CD1-CD2 3.88Å; Y108-Y153 HydrophobicContact CD1-CD2 3.88Å; Y108-Y153 HydrophobicContact CD1-CG 4.32Å; Y108-Y153 HydrophobicContact CG-CD2 4.19Å; M111-Y153 HydrophobicContact CB-CD2 4.24Å; M111-Y153 HydrophobicContact CB-CE2 3.45Å; M111-Y153 VanDerWaalsContact CB-CE2 3.45Å; M111-Y153 HydrophobicContact CE-CD1 3.89Å; M111-Y153 HydrophobicContact CE-CD2 4.31Å; M111-Y153 HydrophobicContact CE-CE1 3.79Å; M111-Y153 HydrophobicContact CE-CE2 4.25Å; M111-Y153 HydrophobicContact CE-CG 4.14Å; M111-Y153 HydrophobicContact CG-CE2 4.41Å; M111-Y153 HydrophobicContact SD-CD2 4.07Å; M111-Y153 HydrophobicContact SD-CE2 4.17Å; M111-Y153 HydrophobicContact SD-CG 4.31Å; F112-Y153 PolarHBondContact N-OH 3.42Å; E115-Y153 PolarHBondContact OE2-OH 2.93Å; S149-Y153 PolarHBondContact O-N 3.34Å; I150-Y153 PolarHBondContact O-N 3.29Å; Y153-L155 VanDerWaalsContact C-N 3.32Å; Y153-L155 PolarHBondContact O-N 3.43Å; Y153-I156 PolarHBondContact O-N 3.38Å; Y153-K157 HydrophobicContact CE1-CD 4.11Å; Y153-K157 WeakPolarHBondContact O-CB 3.43Å; Y153-K157 PolarHBondContact O-N 3.03Å |
| 154 | W | 98.5 | Very high | 95.7 | Very high | 6 Ų | 6 | 39.3 Ų | 39.3 | 2% | 0.023 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.3 | -38.8 | -178.7 | -78.7 | 108.6 | 0 | 0 | 0 | 112 | I66 R81 Q84 I150 D151 C152 K157 C158 | I66-W154 HydrophobicContact CD1-CB 3.95Å; I66-W154 WeakPolarHBondContact CD1-O 3.48Å; I66-W154 HydrophobicContact CG1-CB 4.3Å; I66-W154 HydrophobicContact CG2-CB 4.02Å; I66-W154 HydrophobicContact CG2-CG 4.42Å; R81-W154 HydrophobicContact CB-CZ2 4.33Å; R81-W154 HydrophobicContact CG-CD2 4.49Å; R81-W154 PolarHBondContact O-NE1 3.49Å; Q84-W154 HydrophobicContact CB-CZ2 4.17Å; Q84-W154 HydrophobicContact CG-CH2 4.3Å; Q84-W154 HydrophobicContact CG-CZ2 3.97Å; I150-W154 PolarHBondContact O-N 3.34Å; D151-W154 PolarHBondContact O-N 3.48Å; C152-W154 PolarHBondContact O-N 3.27Å; W154-K157 HydrophobicContact CE3-CD 4.19Å; W154-K157 HydrophobicContact CZ3-CD 4.01Å; W154-C158 VanDerWaalsContact O-CB 3.27Å; W154-C158 WeakPolarHBondContact O-CB 3.45Å; W154-C158 PolarHBondContact O-N 3.2Å; W154-C158 PolarHBondContact O-SG 3.01Å |
| 155 | L | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.5 | -45.5 | 174.5 | -74.6 | 170.1 | 0 | 0 | 0 | 111.7 | I57 W60 K61 L64 I66 M142 V146 D151 C152 Y153 F159 | I57-L155 HydrophobicContact CD1-CD1 4.35Å; I57-L155 HydrophobicContact CG2-CD1 4.09Å; W60-L155 HydrophobicContact CB-CD2 3.75Å; W60-L155 HydrophobicContact CE3-CD1 4.38Å; W60-L155 HydrophobicContact CE3-CD2 4.32Å; K61-L155 HydrophobicContact CG-CD2 4.12Å; K61-L155 HydrophobicContact CG-CG 4.47Å; L64-L155 HydrophobicContact CD1-CD2 3.68Å; I66-L155 HydrophobicContact CD1-CD2 3.74Å; I66-L155 HydrophobicContact CD1-CG 4.08Å; M142-L155 HydrophobicContact CE-CB 4.19Å; M142-L155 HydrophobicContact CG-CB 4.16Å; M142-L155 HydrophobicContact SD-CB 4.01Å; V146-L155 HydrophobicContact CG1-CD1 4.16Å; V146-L155 HydrophobicContact CG2-CD1 3.68Å; D151-L155 VanDerWaalsContact O-CB 3.25Å; D151-L155 WeakPolarHBondContact O-CB 3.35Å; D151-L155 WeakPolarHBondContact O-CG 3.32Å; D151-L155 PolarHBondContact O-N 2.95Å; C152-L155 PolarHBondContact O-N 2.96Å; Y153-L155 VanDerWaalsContact C-N 3.32Å; Y153-L155 PolarHBondContact O-N 3.43Å; L155-F159 WeakPolarHBondContact O-CB 3.46Å; L155-F159 PolarHBondContact O-N 2.95Å |
| 156 | I | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58 | -54.8 | 175.7 | -66.8 | 161.1 | 0 | 0 | 0 | 110.2 | Y108 F135 M142 C152 Y153 C158 F159 I160 | Y108-I156 HydrophobicContact CD2-CD1 3.54Å; Y108-I156 HydrophobicContact CE2-CD1 4.07Å; Y108-I156 HydrophobicContact CG-CD1 4.21Å; F135-I156 HydrophobicContact CE1-CG2 4.09Å; F135-I156 HydrophobicContact CE2-CG2 3.8Å; F135-I156 HydrophobicContact CZ-CG2 3.53Å; M142-I156 HydrophobicContact CB-CD1 4.11Å; M142-I156 HydrophobicContact CB-CG1 3.58Å; M142-I156 HydrophobicContact CG-CG1 3.79Å; C152-I156 WeakPolarHBondContact O-CD1 3.43Å; C152-I156 VanDerWaalsContact O-CG1 3.24Å; C152-I156 WeakPolarHBondContact O-CG1 3.3Å; C152-I156 PolarHBondContact O-N 3.44Å; Y153-I156 PolarHBondContact O-N 3.38Å; I156-C158 PolarHBondContact O-N 3.14Å; I156-F159 PolarHBondContact O-N 3.1Å; I156-I160 HydrophobicContact CG2-CD1 3.84Å; I156-I160 WeakPolarHBondContact O-CG1 3.37Å; I156-I160 PolarHBondContact O-N 3.21Å |
| 157 | K | 96.6 | Very high | 94.7 | Very high | 28 Ų | 28 | 44 Ų | 44 | 12% | 0.122 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.6 | -51.3 | -177.9 | 175.5 | 179.7 | 177.6 | -175.8 | 0 | 111.3 | F112 E115 Y153 W154 N161 | F112-K157 HydrophobicContact CD2-CB 4.4Å; F112-K157 HydrophobicContact CD2-CG 4.1Å; F112-K157 HydrophobicContact CE2-CG 4.35Å; E115-K157 IonicContact OE1-NZ 3.54Å; E115-K157 PolarHBondContact OE1-NZ 3.33Å; E115-K157 WeakPolarHBondContact OE2-CE 3.47Å; E115-K157 IonicContact OE2-NZ 3.53Å; E115-K157 PolarHBondContact OE2-NZ 3.33Å; Y153-K157 HydrophobicContact CE1-CD 4.11Å; Y153-K157 WeakPolarHBondContact O-CB 3.43Å; Y153-K157 PolarHBondContact O-N 3.03Å; W154-K157 HydrophobicContact CE3-CD 4.19Å; W154-K157 HydrophobicContact CZ3-CD 4.01Å; K157-N161 WeakPolarHBondContact O-CB 3.38Å; K157-N161 VanDerWaalsContact O-CG 3.28Å; K157-N161 PolarHBondContact O-N 3.18Å; K157-N161 PolarHBondContact O-ND2 2.91Å |
| 158 | C | 97.1 | Very high | 94.4 | Very high | 21 Ų | 21 | 37.4 Ų | 37.4 | 14% | 0.142 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -72.2 | -36.9 | -177.4 | -71.7 | 0 | 0 | 0 | 0 | 112.3 | L64 I66 W154 I156 Q162 | L64-C158 HydrophobicContact CB-CB 3.96Å; L64-C158 HydrophobicContact CD1-CB 4.46Å; I66-C158 HydrophobicContact CD1-CB 4.08Å; I66-C158 HydrophobicContact CG1-CB 3.98Å; I66-C158 VanDerWaalsContact CG1-SG 3.59Å; W154-C158 VanDerWaalsContact O-CB 3.27Å; W154-C158 WeakPolarHBondContact O-CB 3.45Å; W154-C158 PolarHBondContact O-N 3.2Å; W154-C158 PolarHBondContact O-SG 3.01Å; I156-C158 PolarHBondContact O-N 3.14Å; C158-Q162 WeakPolarHBondContact O-CB 3.43Å; C158-Q162 VanDerWaalsContact O-CG 3.26Å; C158-Q162 WeakPolarHBondContact O-CG 3.45Å; C158-Q162 PolarHBondContact O-N 3.16Å |
| 159 | F | 97.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 41 Ų | 41 | 1% | 0.013 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.7 | -51.1 | 174.5 | -179.3 | -94 | 0 | 0 | 0 | 110.7 | L64 I138 M142 L155 I156 F163 C211 W225 V228 I229 | L64-F159 HydrophobicContact CD1-CB 4.44Å; I138-F159 HydrophobicContact CD1-CD1 4.44Å; I138-F159 HydrophobicContact CD1-CE1 4.18Å; I138-F159 HydrophobicContact CG2-CD1 3.9Å; I138-F159 HydrophobicContact CG2-CE1 4.19Å; M142-F159 HydrophobicContact CE-CB 4.19Å; M142-F159 HydrophobicContact CE-CG 4.33Å; L155-F159 WeakPolarHBondContact O-CB 3.46Å; L155-F159 PolarHBondContact O-N 2.95Å; I156-F159 PolarHBondContact O-N 3.1Å; F159-F163 WeakPolarHBondContact O-CB 3.41Å; F159-F163 PolarHBondContact O-N 2.94Å; F159-C211 HydrophobicContact CE1-CB 4.45Å; F159-C211 HydrophobicContact CZ-CB 4.2Å; F159-W225 HydrophobicContact CE2-CD2 4.26Å; F159-W225 HydrophobicContact CE2-CG 4.18Å; F159-W225 HydrophobicContact CZ-CD2 4.17Å; F159-W225 HydrophobicContact CZ-CG 4.26Å; F159-V228 HydrophobicContact CE2-CB 4.28Å; F159-V228 HydrophobicContact CE2-CG1 3.79Å; F159-V228 HydrophobicContact CZ-CG1 4.01Å; F159-I229 HydrophobicContact CD2-CD1 4Å; F159-I229 HydrophobicContact CD2-CG1 3.72Å; F159-I229 HydrophobicContact CE2-CD1 4.33Å; F159-I229 HydrophobicContact CE2-CG1 3.94Å |
| 160 | I | 94.3 | Very high | 93.9 | Very high | 14 Ų | 14 | 41.2 Ų | 41.2 | 7% | 0.072 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65 | -47.6 | -178.5 | -68.6 | 173.8 | 0 | 0 | 0 | 111.3 | F112 F135 I138 I156 F163 H164 | F112-I160 HydrophobicContact CZ-CG2 4.42Å; F135-I160 HydrophobicContact CB-CD1 4.29Å; F135-I160 HydrophobicContact CD2-CD1 3.22Å; F135-I160 HydrophobicContact CE2-CD1 3.61Å; F135-I160 HydrophobicContact CG-CD1 3.9Å; I138-I160 HydrophobicContact CB-CD1 4.41Å; I138-I160 HydrophobicContact CD1-CD1 4.23Å; I138-I160 HydrophobicContact CD1-CG1 3.93Å; I138-I160 HydrophobicContact CG2-CD1 4.28Å; I138-I160 HydrophobicContact CG2-CG1 4.25Å; I156-I160 HydrophobicContact CG2-CD1 3.84Å; I156-I160 WeakPolarHBondContact O-CG1 3.37Å; I156-I160 PolarHBondContact O-N 3.21Å; I160-F163 PolarHBondContact O-N 2.97Å; I160-H164 PolarHBondContact O-N 3.02Å; I160-H164 PolarHBondContact O-ND1 3.05Å |
| 161 | N | 91.7 | Very high | 93.7 | Very high | 54 Ų | 54 | 41.4 Ų | 41.4 | 29% | 0.289 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.6 | -48.6 | -179.8 | -75.7 | -13.7 | 0 | 0 | 0 | 111.5 | F112 K157 F163 H164 I165 | F112-N161 WeakPolarHBondContact CE2-OD1 3.35Å; K157-N161 WeakPolarHBondContact O-CB 3.38Å; K157-N161 VanDerWaalsContact O-CG 3.28Å; K157-N161 PolarHBondContact O-N 3.18Å; K157-N161 PolarHBondContact O-ND2 2.91Å; N161-F163 VanDerWaalsContact C-N 3.32Å; N161-F163 PolarHBondContact O-N 2.84Å; N161-H164 PolarHBondContact O-N 3.4Å; N161-I165 WeakPolarHBondContact O-CB 3.39Å; N161-I165 WeakPolarHBondContact O-CD1 3.18Å; N161-I165 WeakPolarHBondContact O-CG1 3.36Å; N161-I165 PolarHBondContact O-N 3.23Å |
| 162 | Q | 87.3 | Confident | 93.5 | Very high | 59 Ų | 59 | 44 Ų | 44 | 28% | 0.276 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.3 | -35.1 | 179.3 | -70.3 | -159.6 | 12.9 | 0 | 0 | 112.2 | L64 C158 H164 I165 K166 | L64-Q162 VanDerWaalsContact CA-NE2 3.31Å; L64-Q162 HydrophobicContact CD2-CB 4.35Å; L64-Q162 HydrophobicContact CD2-CG 4.35Å; L64-Q162 PolarHBondContact O-NE2 3.47Å; C158-Q162 WeakPolarHBondContact O-CB 3.43Å; C158-Q162 VanDerWaalsContact O-CG 3.26Å; C158-Q162 WeakPolarHBondContact O-CG 3.45Å; C158-Q162 PolarHBondContact O-N 3.16Å; Q162-H164 VanDerWaalsContact C-N 3.34Å; Q162-H164 PolarHBondContact O-N 3.32Å; Q162-I165 PolarHBondContact O-N 3.1Å; Q162-K166 WeakPolarHBondContact O-CA 3.44Å; Q162-K166 WeakPolarHBondContact O-CB 3.47Å; Q162-K166 PolarHBondContact O-N 3Å |
| 163 | F | 89.4 | Confident | 93.4 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 2% | 0.022 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 177.7 | -172.1 | -101 | 0 | 0 | 0 | 111.3 | F159 I160 N161 F167 L171 F208 C211 V228 C233 L236 | F159-F163 WeakPolarHBondContact O-CB 3.41Å; F159-F163 PolarHBondContact O-N 2.94Å; I160-F163 PolarHBondContact O-N 2.97Å; N161-F163 VanDerWaalsContact C-N 3.32Å; N161-F163 PolarHBondContact O-N 2.84Å; F163-F167 AromaticContact CD2-CD2 3.57Å; F163-F167 HydrophobicContact CD2-CD2 3.57Å; F163-F167 AromaticContact CD2-CE2 3.99Å; F163-F167 HydrophobicContact CD2-CE2 3.99Å; F163-F167 AromaticContact CE2-CD2 3.91Å; F163-F167 HydrophobicContact CE2-CD2 3.91Å; F163-F167 HydrophobicContact CE2-CE2 4.41Å; F163-F167 HydrophobicContact CG-CD2 4.19Å; F163-F167 VanDerWaalsContact O-CB 3.29Å; F163-F167 WeakPolarHBondContact O-CB 3.19Å; F163-F167 WeakPolarHBondContact O-CD2 3.06Å; F163-F167 PolarHBondContact O-N 3.42Å; F163-L171 HydrophobicContact CD1-CD1 4.04Å; F163-L171 HydrophobicContact CE1-CD1 3.55Å; F163-L171 HydrophobicContact CE1-CD2 3.56Å; F163-L171 HydrophobicContact CE1-CG 4.18Å; F163-L171 HydrophobicContact CE2-CD2 4.33Å; F163-L171 HydrophobicContact CZ-CD1 4.29Å; F163-L171 HydrophobicContact CZ-CD2 3.41Å; F163-L171 VanDerWaalsContact CZ-CD2 3.41Å; F163-L171 HydrophobicContact CZ-CG 4.44Å; F163-F208 WeakPolarHBondContact CE1-O 3.48Å; F163-F208 WeakPolarHBondContact CZ-O 3.11Å; F163-C211 WeakPolarHBondContact CE2-SG 3.44Å; F163-C211 WeakPolarHBondContact CZ-SG 3.47Å; F163-V228 HydrophobicContact CD2-CG1 3.79Å; F163-V228 HydrophobicContact CE2-CG1 3.97Å; F163-C233 HydrophobicContact CE2-CB 4.46Å; F163-L236 HydrophobicContact CE2-CD1 3.95Å; F163-L236 HydrophobicContact CZ-CD1 3.86Å |
| 164 | H | 86.6 | Confident | 93.3 | Very high | 104 Ų | 104 | 49.3 Ų | 49.3 | 48% | 0.481 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -71.2 | -43.1 | 178.1 | -68.7 | 90.6 | 0 | 0 | 0 | 112.7 | I160 N161 Q162 G168 | I160-H164 PolarHBondContact O-N 3.02Å; I160-H164 PolarHBondContact O-ND1 3.05Å; N161-H164 PolarHBondContact O-N 3.4Å; Q162-H164 VanDerWaalsContact C-N 3.34Å; Q162-H164 PolarHBondContact O-N 3.32Å; H164-G168 WeakPolarHBondContact O-CA 3.49Å; H164-G168 PolarHBondContact O-N 3.33Å |
| 165 | I | 89 | Confident | 93.3 | Very high | 146 Ų | 146 | 50.5 Ų | 50.5 | 75% | 0.749 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -66.4 | -45.6 | -179.8 | -68.1 | 166.7 | 0 | 0 | 0 | 111.1 | N161 Q162 | N161-I165 WeakPolarHBondContact O-CB 3.39Å; N161-I165 WeakPolarHBondContact O-CD1 3.18Å; N161-I165 WeakPolarHBondContact O-CG1 3.36Å; N161-I165 PolarHBondContact O-N 3.23Å; Q162-I165 PolarHBondContact O-N 3.1Å |
| 166 | K | 89.6 | Confident | 93.2 | Very high | 110 Ų | 110 | 57.6 Ų | 57.6 | 48% | 0.478 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -80 | -33.6 | -173.7 | -169.7 | 173.3 | -179.4 | 166.3 | 0 | 112.8 | Q162 | Q162-K166 WeakPolarHBondContact O-CA 3.44Å; Q162-K166 WeakPolarHBondContact O-CB 3.47Å; Q162-K166 PolarHBondContact O-N 3Å |
| 167 | F | 91.1 | Very high | 93.2 | Very high | 15 Ų | 15 | 59.3 Ų | 59.3 | 7% | 0.066 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -117.6 | 1.6 | -172 | -51.4 | -57.5 | 0 | 0 | 0 | 114.3 | F163 D169 S170 L171 V228 G231 C233 | F163-F167 AromaticContact CD2-CD2 3.57Å; F163-F167 HydrophobicContact CD2-CD2 3.57Å; F163-F167 AromaticContact CD2-CE2 3.99Å; F163-F167 HydrophobicContact CD2-CE2 3.99Å; F163-F167 AromaticContact CE2-CD2 3.91Å; F163-F167 HydrophobicContact CE2-CD2 3.91Å; F163-F167 HydrophobicContact CE2-CE2 4.41Å; F163-F167 HydrophobicContact CG-CD2 4.19Å; F163-F167 VanDerWaalsContact O-CB 3.29Å; F163-F167 WeakPolarHBondContact O-CB 3.19Å; F163-F167 WeakPolarHBondContact O-CD2 3.06Å; F163-F167 PolarHBondContact O-N 3.42Å; F167-D169 VanDerWaalsContact C-N 3.25Å; F167-D169 PolarHBondContact O-N 3.45Å; F167-D169 VanDerWaalsContact O-N 3.11Å; F167-S170 CarbonylContact O-C 3.52Å; F167-S170 WeakPolarHBondContact O-CA 3.34Å; F167-S170 WeakPolarHBondContact O-CB 3.41Å; F167-S170 PolarHBondContact O-N 2.94Å; F167-L171 HydrophobicContact CB-CD2 4.28Å; F167-L171 HydrophobicContact CB-CG 4.16Å; F167-L171 WeakPolarHBondContact O-CG 3.41Å; F167-L171 PolarHBondContact O-N 3.11Å; F167-V228 HydrophobicContact CE2-CG1 4.25Å; F167-G231 WeakPolarHBondContact CE1-O 3.15Å; F167-C233 HydrophobicContact CB-CB 4.08Å; F167-C233 HydrophobicContact CD1-CB 3.7Å; F167-C233 WeakPolarHBondContact CD1-SG 3.38Å; F167-C233 HydrophobicContact CD2-CB 3.77Å; F167-C233 HydrophobicContact CE1-CB 3.96Å; F167-C233 HydrophobicContact CE2-CB 4.03Å; F167-C233 HydrophobicContact CG-CB 3.58Å; F167-C233 HydrophobicContact CZ-CB 4.11Å |
| 168 | G | 90.2 | Very high | 93.3 | Very high | 33 Ų | 33 | 58 Ų | 58 | 34% | 0.34 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.5 | -45.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | H164 S170 P172 | H164-G168 WeakPolarHBondContact O-CA 3.49Å; H164-G168 PolarHBondContact O-N 3.33Å; G168-S170 PolarHBondContact O-N 2.9Å; G168-P172 WeakPolarHBondContact O-CD 3.4Å |
| 169 | D | 91.9 | Very high | 93.3 | Very high | 150 Ų | 150 | 59.5 Ų | 59.5 | 80% | 0.802 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -25.7 | 178 | -63.1 | -30.5 | 0 | 0 | 0 | 113.5 | F167 H173 | F167-D169 VanDerWaalsContact C-N 3.25Å; F167-D169 PolarHBondContact O-N 3.45Å; F167-D169 VanDerWaalsContact O-N 3.11Å; D169-H173 PolarHBondContact O-CD2 3.33Å; D169-H173 PolarHBondContact O-NE2 2.88Å |
| 170 | S | 92.2 | Very high | 93.3 | Very high | 54 Ų | 54 | 64.1 Ų | 64.1 | 38% | 0.378 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -30.3 | -178.5 | -63.9 | 0 | 0 | 0 | 0 | 113.2 | F167 G168 H173 L174 | F167-S170 CarbonylContact O-C 3.52Å; F167-S170 WeakPolarHBondContact O-CA 3.34Å; F167-S170 WeakPolarHBondContact O-CB 3.41Å; F167-S170 PolarHBondContact O-N 2.94Å; G168-S170 PolarHBondContact O-N 2.9Å; S170-H173 WeakPolarHBondContact O-CB 3.33Å; S170-H173 PolarHBondContact O-N 2.98Å; S170-L174 PolarHBondContact O-N 2.69Å |
| 171 | L | 92.2 | Very high | 93.5 | Very high | 30 Ų | 30 | 65 Ų | 65 | 16% | 0.157 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -57 | -44.4 | -175.4 | -67.9 | 176.2 | 0 | 0 | 0 | 113.9 | F163 F167 H173 L174 | F163-L171 HydrophobicContact CD1-CD1 4.04Å; F163-L171 HydrophobicContact CE1-CD1 3.55Å; F163-L171 HydrophobicContact CE1-CD2 3.56Å; F163-L171 HydrophobicContact CE1-CG 4.18Å; F163-L171 HydrophobicContact CE2-CD2 4.33Å; F163-L171 HydrophobicContact CZ-CD1 4.29Å; F163-L171 HydrophobicContact CZ-CD2 3.41Å; F163-L171 VanDerWaalsContact CZ-CD2 3.41Å; F163-L171 HydrophobicContact CZ-CG 4.44Å; F167-L171 HydrophobicContact CB-CD2 4.28Å; F167-L171 HydrophobicContact CB-CG 4.16Å; F167-L171 WeakPolarHBondContact O-CG 3.41Å; F167-L171 PolarHBondContact O-N 3.11Å; L171-H173 PolarHBondContact O-N 2.84Å; L171-H173 VanDerWaalsContact O-N 3.1Å; L171-L174 HydrophobicContact CD2-CD1 3.75Å; L171-L174 PolarHBondContact O-N 3.28Å |
| 172 | P | 94.8 | Very high | 93.8 | Very high | 90 Ų | 90 | 62.4 Ų | 62.4 | 58% | 0.584 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -61.6 | -19.5 | 177 | -24.3 | 35.4 | 0 | 0 | 0 | 114 | G168 | G168-P172 WeakPolarHBondContact O-CD 3.4Š|
| 173 | H | 95.9 | Very high | 94.3 | Very high | 110 Ų | 110 | 61.5 Ų | 61.5 | 51% | 0.509 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -91.5 | -17.1 | -178.4 | -59.2 | -55.4 | 0 | 0 | 0 | 113.6 | D169 S170 L171 K176 S177 | D169-H173 PolarHBondContact O-CD2 3.33Å; D169-H173 PolarHBondContact O-NE2 2.88Å; S170-H173 WeakPolarHBondContact O-CB 3.33Å; S170-H173 PolarHBondContact O-N 2.98Å; L171-H173 PolarHBondContact O-N 2.84Å; L171-H173 VanDerWaalsContact O-N 3.1Å; H173-K176 PolarHBondContact O-N 2.94Å; H173-K176 VanDerWaalsContact O-N 3.1Å; H173-S177 PolarHBondContact O-N 3.09Å; H173-S177 PolarHBondContact O-OG 3.03Å |
| 174 | L | 96.8 | Very high | 94.7 | Very high | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58 | -40.8 | -177.8 | -58.7 | -172.8 | 0 | 0 | 0 | 114 | S170 L171 K176 S177 L178 F208 V237 | S170-L174 PolarHBondContact O-N 2.69Å; L171-L174 HydrophobicContact CD2-CD1 3.75Å; L171-L174 PolarHBondContact O-N 3.28Å; L174-K176 VanDerWaalsContact C-N 3.33Å; L174-K176 PolarHBondContact O-N 3.15Å; L174-S177 PolarHBondContact O-N 3.13Å; L174-L178 PolarHBondContact O-N 3.29Å; L174-F208 HydrophobicContact CB-CD1 4.23Å; L174-F208 HydrophobicContact CB-CD2 3.8Å; L174-F208 HydrophobicContact CB-CE1 4.28Å; L174-F208 HydrophobicContact CB-CE2 3.82Å; L174-F208 HydrophobicContact CB-CG 4.02Å; L174-F208 HydrophobicContact CB-CZ 4.08Å; L174-F208 HydrophobicContact CD1-CB 4.13Å; L174-F208 HydrophobicContact CD1-CD1 3.92Å; L174-F208 HydrophobicContact CD1-CG 3.97Å; L174-V237 HydrophobicContact CB-CG2 3.86Å; L174-V237 HydrophobicContact CD2-CG2 3.76Å; L174-V237 HydrophobicContact CG-CG2 4.26Å |
| 175 | P | 97.8 | Very high | 95.1 | Very high | 30 Ų | 30 | 64.4 Ų | 64.4 | 20% | 0.195 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.3 | -41.9 | 174.2 | -26.8 | 36.3 | 0 | 0 | 0 | 113.3 | L178 E179 Y204 F208 | P175-L178 WeakPolarHBondContact O-CB 3.4Å; P175-L178 PolarHBondContact O-N 2.89Å; P175-E179 PolarHBondContact O-N 3.18Å; P175-E179 VanDerWaalsContact O-N 3.08Å; P175-Y204 HydrophobicContact CB-CD1 4.05Å; P175-Y204 HydrophobicContact CB-CE1 3.74Å; P175-Y204 HydrophobicContact CB-CE2 4.37Å; P175-Y204 HydrophobicContact CB-CG 4.46Å; P175-Y204 HydrophobicContact CG-CD1 4.04Å; P175-Y204 HydrophobicContact CG-CE1 4.25Å; P175-Y204 HydrophobicContact CG-CG 4.21Å; P175-F208 HydrophobicContact CB-CE2 4.48Å; P175-F208 HydrophobicContact CG-CD2 4.05Å; P175-F208 HydrophobicContact CG-CE2 3.97Å |
| 176 | K | 97.3 | Very high | 95.5 | Very high | 150 Ų | 150 | 59.2 Ų | 59.2 | 65% | 0.652 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -68.4 | -38.2 | 177 | -69.4 | -177.5 | 177.1 | 178.9 | 0 | 111.7 | H173 L174 L178 E179 H180 | H173-K176 PolarHBondContact O-N 2.94Å; H173-K176 VanDerWaalsContact O-N 3.1Å; L174-K176 VanDerWaalsContact C-N 3.33Å; L174-K176 PolarHBondContact O-N 3.15Å; K176-L178 VanDerWaalsContact C-N 3.32Å; K176-E179 PolarHBondContact O-N 3.39Å; K176-H180 PolarHBondContact O-N 3.28Å |
| 177 | S | 97.4 | Very high | 95.9 | Very high | 35 Ų | 35 | 57 Ų | 57 | 25% | 0.245 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.4 | -39.6 | 173 | -61.8 | 0 | 0 | 0 | 0 | 111.8 | H173 L174 H180 Y181 | H173-S177 PolarHBondContact O-N 3.09Å; H173-S177 PolarHBondContact O-OG 3.03Å; L174-S177 PolarHBondContact O-N 3.13Å; S177-H180 WeakPolarHBondContact O-CB 3.42Å; S177-H180 PolarHBondContact O-N 2.98Å; S177-Y181 WeakPolarHBondContact O-CD2 3.43Å; S177-Y181 PolarHBondContact O-N 2.83Å |
| 178 | L | 98.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.1 | -47.3 | 174.4 | 179.1 | 63.4 | 0 | 0 | 0 | 111.5 | L174 P175 K176 H180 Y181 L182 Y204 W207 F208 V237 A240 L241 L244 | L174-L178 PolarHBondContact O-N 3.29Å; P175-L178 WeakPolarHBondContact O-CB 3.4Å; P175-L178 PolarHBondContact O-N 2.89Å; K176-L178 VanDerWaalsContact C-N 3.32Å; L178-H180 VanDerWaalsContact C-N 3.3Å; L178-H180 PolarHBondContact O-N 3.14Å; L178-Y181 PolarHBondContact O-N 3.1Å; L178-L182 VanDerWaalsContact O-CB 3.23Å; L178-L182 WeakPolarHBondContact O-CB 3.32Å; L178-L182 PolarHBondContact O-N 3.07Å; L178-Y204 HydrophobicContact CD2-CE1 4.01Å; L178-W207 HydrophobicContact CD2-CE3 4.11Å; L178-W207 HydrophobicContact CD2-CZ3 3.62Å; L178-F208 HydrophobicContact CD2-CZ 4.41Å; L178-V237 HydrophobicContact CB-CG1 4Å; L178-V237 HydrophobicContact CD1-CG1 4.29Å; L178-A240 HydrophobicContact CD1-CB 3.92Å; L178-A240 HydrophobicContact CD2-CB 4.01Å; L178-L241 HydrophobicContact CD1-CB 3.83Å; L178-L244 HydrophobicContact CD1-CD1 4.26Å; L178-L244 HydrophobicContact CD2-CD1 4.2Å; L178-L244 HydrophobicContact CG-CD1 4.46Å |
| 179 | E | 97.9 | Very high | 96.6 | Very high | 51 Ų | 51 | 63.7 Ų | 63.7 | 24% | 0.238 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.4 | -43.2 | 175.2 | -73.7 | -171.9 | -126.4 | 0 | 0 | 112.4 | P175 K176 L182 S183 L190 R194 L199 | P175-E179 PolarHBondContact O-N 3.18Å; P175-E179 VanDerWaalsContact O-N 3.08Å; K176-E179 PolarHBondContact O-N 3.39Å; E179-L182 PolarHBondContact O-N 3.25Å; E179-S183 WeakPolarHBondContact O-CB 3.48Å; E179-S183 PolarHBondContact O-N 3.08Å; E179-L190 HydrophobicContact CG-CD1 4.45Å; E179-R194 IonicContact OE2-CZ 3.8Å; E179-R194 IonicContact OE2-NE 3.97Å; E179-R194 IonicContact OE2-NH2 2.8Å; E179-R194 PolarHBondContact OE2-NH2 3.22Å; E179-L199 HydrophobicContact CG-CD1 4.08Å; E179-L199 HydrophobicContact CG-CD2 4.02Å; E179-L199 HydrophobicContact CG-CG 4.38Å |
| 180 | H | 97.8 | Very high | 96.9 | Very high | 101 Ų | 101 | 56.7 Ų | 56.7 | 47% | 0.468 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.3 | -54.6 | 177.9 | 174 | 74.1 | 0 | 0 | 0 | 111.4 | K176 S177 L178 L182 S183 Q184 | K176-H180 PolarHBondContact O-N 3.28Å; S177-H180 WeakPolarHBondContact O-CB 3.42Å; S177-H180 PolarHBondContact O-N 2.98Å; L178-H180 VanDerWaalsContact C-N 3.3Å; L178-H180 PolarHBondContact O-N 3.14Å; H180-L182 VanDerWaalsContact C-N 3.35Å; H180-L182 PolarHBondContact O-N 3.1Å; H180-S183 WeakPolarHBondContact O-CB 3.42Å; H180-S183 PolarHBondContact O-N 2.66Å; H180-S183 VanDerWaalsContact O-N 3.16Å; H180-S183 PolarHBondContact O-OG 3.09Å; H180-Q184 PolarHBondContact O-N 3.41Å |
| 181 | Y | 98.1 | Very high | 97.2 | Very high | 31 Ų | 31 | 58.7 Ų | 58.7 | 12% | 0.122 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.6 | -33.3 | -178.6 | -66.1 | -63.9 | 0 | 0 | 0 | 112.8 | S177 L178 S183 Q184 E185 V237 F238 Y286 | S177-Y181 WeakPolarHBondContact O-CD2 3.43Å; S177-Y181 PolarHBondContact O-N 2.83Å; L178-Y181 PolarHBondContact O-N 3.1Å; Y181-S183 VanDerWaalsContact C-N 3.29Å; Y181-S183 PolarHBondContact O-N 3.25Å; Y181-Q184 PolarHBondContact O-N 3.35Å; Y181-Q184 VanDerWaalsContact O-N 3.16Å; Y181-E185 PolarHBondContact O-N 3.17Å; Y181-V237 HydrophobicContact CD2-CG1 3.86Å; Y181-V237 HydrophobicContact CE2-CG1 4.44Å; Y181-F238 HydrophobicContact CD1-CE1 4.1Å; Y181-F238 HydrophobicContact CD1-CZ 4.17Å; Y181-F238 HydrophobicContact CD2-CE1 4.12Å; Y181-F238 AromaticContact CD2-CZ 3.88Å; Y181-F238 HydrophobicContact CD2-CZ 3.88Å; Y181-F238 HydrophobicContact CE1-CE1 4.27Å; Y181-F238 AromaticContact CE1-CZ 3.92Å; Y181-F238 HydrophobicContact CE1-CZ 3.92Å; Y181-F238 HydrophobicContact CE2-CE1 4.28Å; Y181-F238 HydrophobicContact CE2-CE2 4.12Å; Y181-F238 AromaticContact CE2-CZ 3.59Å; Y181-F238 HydrophobicContact CE2-CZ 3.59Å; Y181-F238 HydrophobicContact CG-CE1 4.04Å; Y181-F238 HydrophobicContact CG-CZ 4.17Å; Y181-F238 AromaticContact CZ-CZ 3.61Å; Y181-Y286 AromaticContact CD1-CD1 3.85Å; Y181-Y286 HydrophobicContact CD1-CD1 3.85Å; Y181-Y286 HydrophobicContact CD1-CD2 4.28Å; Y181-Y286 AromaticContact CD1-CE1 3.99Å; Y181-Y286 HydrophobicContact CD1-CE1 3.99Å; Y181-Y286 HydrophobicContact CD1-CE2 4.41Å; Y181-Y286 AromaticContact CD1-CG 4Å; Y181-Y286 HydrophobicContact CD1-CG 4Å; Y181-Y286 AromaticContact CE1-CD1 3.55Å; Y181-Y286 HydrophobicContact CE1-CD1 3.55Å; Y181-Y286 HydrophobicContact CE1-CD2 4.43Å; Y181-Y286 HydrophobicContact CE1-CE1 4.11Å; Y181-Y286 AromaticContact CE1-CG 3.73Å; Y181-Y286 HydrophobicContact CE1-CG 3.73Å |
| 182 | L | 98.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.3 | -34.8 | 173 | -174 | 63.7 | 0 | 0 | 0 | 112 | L178 E179 H180 Q184 E186 L189 L190 L193 L241 L244 L245 | L178-L182 VanDerWaalsContact O-CB 3.23Å; L178-L182 WeakPolarHBondContact O-CB 3.32Å; L178-L182 PolarHBondContact O-N 3.07Å; E179-L182 PolarHBondContact O-N 3.25Å; H180-L182 VanDerWaalsContact C-N 3.35Å; H180-L182 PolarHBondContact O-N 3.1Å; L182-Q184 PolarHBondContact O-N 3.32Å; L182-E186 HydrophobicContact CD1-CB 4.31Å; L182-E186 CarbonylContact O-C 3.4Å; L182-E186 WeakPolarHBondContact O-CA 3.42Å; L182-E186 PolarHBondContact O-N 2.97Å; L182-L189 HydrophobicContact CD1-CD2 4.14Å; L182-L190 HydrophobicContact CD2-CB 4Å; L182-L190 HydrophobicContact CD2-CD1 4.08Å; L182-L190 HydrophobicContact CG-CB 4.05Å; L182-L193 HydrophobicContact CD2-CD1 4.03Å; L182-L241 HydrophobicContact CB-CD1 3.83Å; L182-L241 HydrophobicContact CD1-CD1 3.69Å; L182-L241 HydrophobicContact CG-CD1 4.37Å; L182-L244 HydrophobicContact CD2-CD1 3.99Å; L182-L245 HydrophobicContact CD1-CD2 4.23Å |
| 183 | S | 97.7 | Very high | 97.6 | Very high | 40 Ų | 40 | 54.4 Ų | 54.4 | 28% | 0.28 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.4 | -29.9 | 174.8 | 79.3 | 0 | 0 | 0 | 0 | 113.1 | E179 H180 Y181 | E179-S183 WeakPolarHBondContact O-CB 3.48Å; E179-S183 PolarHBondContact O-N 3.08Å; H180-S183 WeakPolarHBondContact O-CB 3.42Å; H180-S183 PolarHBondContact O-N 2.66Å; H180-S183 VanDerWaalsContact O-N 3.16Å; H180-S183 PolarHBondContact O-OG 3.09Å; Y181-S183 VanDerWaalsContact C-N 3.29Å; Y181-S183 PolarHBondContact O-N 3.25Å |
| 184 | Q | 96.9 | Very high | 97.7 | Very high | 114 Ų | 114 | 55 Ų | 55 | 53% | 0.533 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -81.2 | -45.5 | 179 | -60.1 | -57.9 | -47.8 | 0 | 0 | 111.7 | H180 Y181 L182 | H180-Q184 PolarHBondContact O-N 3.41Å; Y181-Q184 PolarHBondContact O-N 3.35Å; Y181-Q184 VanDerWaalsContact O-N 3.16Å; L182-Q184 PolarHBondContact O-N 3.32Å |
| 185 | E | 96.9 | Very high | 97.7 | Very high | 56 Ų | 56 | 59.4 Ų | 59.4 | 26% | 0.262 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -82 | -41 | -175.9 | -67 | -66.2 | 153.6 | 0 | 0 | 112.5 | Y181 L241 L245 K285 Y286 | Y181-E185 PolarHBondContact O-N 3.17Å; E185-L241 HydrophobicContact CG-CD2 4.21Å; E185-L245 HydrophobicContact CB-CD1 4.08Å; E185-L245 HydrophobicContact CB-CD2 4.26Å; E185-L245 HydrophobicContact CG-CD1 4.47Å; E185-K285 IonicContact OE1-NZ 2.8Å; E185-K285 PolarHBondContact OE1-NZ 3.34Å; E185-Y286 HydrophobicContact CG-CE2 4.4Å; E185-Y286 WeakPolarHBondContact OE1-CE2 3.46Å; E185-Y286 VanDerWaalsContact OE1-CZ 3.25Å; E185-Y286 PolarHBondContact OE1-OH 3.37Å |
| 186 | E | 97.1 | Very high | 97.7 | Very high | 37 Ų | 37 | 59.2 Ų | 59.2 | 17% | 0.173 | 29% | 0.289 | C | S | . | . | trans | -149.2 | 78.3 | -177.4 | -170.3 | 56.6 | -132 | 0 | 0 | 113.2 | L182 R188 L189 L190 L245 K248 | L182-E186 HydrophobicContact CD1-CB 4.31Å; L182-E186 CarbonylContact O-C 3.4Å; L182-E186 WeakPolarHBondContact O-CA 3.42Å; L182-E186 PolarHBondContact O-N 2.97Å; E186-R188 PolarHBondContact O-N 2.82Å; E186-R188 WeakPolarHBondContact OE1-CB 3.29Å; E186-L189 HydrophobicContact CB-CB 4.22Å; E186-L189 HydrophobicContact CG-CB 3.52Å; E186-L189 PolarHBondContact O-N 3.09Å; E186-L190 PolarHBondContact O-N 2.94Å; E186-L245 HydrophobicContact CB-CD2 3.5Å; E186-L245 HydrophobicContact CG-CD2 4.38Å; E186-K248 HydrophobicContact CG-CD 3.88Å; E186-K248 VanDerWaalsContact OE1-CE 3.23Å; E186-K248 WeakPolarHBondContact OE1-CE 3.38Å; E186-K248 IonicContact OE1-NZ 2.8Å; E186-K248 PolarHBondContact OE1-NZ 3.05Å; E186-K248 WeakPolarHBondContact OE2-CE 3.28Å; E186-K248 IonicContact OE2-NZ 2.72Å; E186-K248 PolarHBondContact OE2-NZ 3.42Å | ||
| 187 | P | 97.5 | Very high | 97.6 | Very high | 64 Ų | 64 | 53.4 Ų | 53.4 | 42% | 0.416 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.4 | -27.6 | -177.1 | 23 | -33.3 | 0 | 0 | 0 | 113.5 | L190 N191 | P187-L190 PolarHBondContact O-N 3.35Å; P187-N191 WeakPolarHBondContact O-CB 3.32Å; P187-N191 VanDerWaalsContact O-CG 3.26Å; P187-N191 PolarHBondContact O-N 3.33Å; P187-N191 PolarHBondContact O-ND2 2.73Å |
| 188 | R | 98.1 | Very high | 97.6 | Very high | 187 Ų | 187 | 51.8 Ų | 51.8 | 71% | 0.706 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -68 | -39.6 | 178.2 | -61.7 | -178.9 | 177.6 | 179 | 1 | 111.6 | E186 N191 H192 | E186-R188 PolarHBondContact O-N 2.82Å; E186-R188 WeakPolarHBondContact OE1-CB 3.29Å; R188-N191 PolarHBondContact O-N 3.27Å; R188-H192 PolarHBondContact O-N 2.81Å |
| 189 | L | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.6 | -43.7 | 176.5 | -179.8 | 58.7 | 0 | 0 | 0 | 110.8 | L182 E186 N191 H192 L193 L244 K248 L251 M252 | L182-L189 HydrophobicContact CD1-CD2 4.14Å; E186-L189 HydrophobicContact CB-CB 4.22Å; E186-L189 HydrophobicContact CG-CB 3.52Å; E186-L189 PolarHBondContact O-N 3.09Å; L189-N191 VanDerWaalsContact C-N 3.34Å; L189-N191 PolarHBondContact O-N 3.08Å; L189-H192 WeakPolarHBondContact O-CB 3.25Å; L189-H192 PolarHBondContact O-N 3.37Å; L189-L193 HydrophobicContact CD1-CD1 4.41Å; L189-L193 HydrophobicContact CD1-CG 4.23Å; L189-L193 HydrophobicContact CG-CD1 4.21Å; L189-L193 HydrophobicContact CG-CG 4.46Å; L189-L193 WeakPolarHBondContact O-CG 3.37Å; L189-L193 PolarHBondContact O-N 3.33Å; L189-L244 HydrophobicContact CD2-CB 4.07Å; L189-L244 VanDerWaalsContact CD2-O 3.31Å; L189-L244 WeakPolarHBondContact CD2-O 3.35Å; L189-K248 HydrophobicContact CB-CG 4.4Å; L189-K248 HydrophobicContact CD1-CG 4.42Å; L189-K248 HydrophobicContact CD2-CB 4.13Å; L189-K248 HydrophobicContact CD2-CG 4.17Å; L189-L251 HydrophobicContact CD1-CB 3.98Å; L189-L251 HydrophobicContact CD1-CD1 4.41Å; L189-L251 HydrophobicContact CD2-CD1 4.43Å; L189-M252 HydrophobicContact CD1-CG 4.17Å; L189-M252 HydrophobicContact CD1-SD 3.9Å |
| 190 | L | 98.2 | Very high | 97.4 | Very high | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.2 | -47.6 | 175.3 | 177.9 | 60.5 | 0 | 0 | 0 | 111.8 | E179 L182 E186 P187 H192 L193 R194 L199 | E179-L190 HydrophobicContact CG-CD1 4.45Å; L182-L190 HydrophobicContact CD2-CB 4Å; L182-L190 HydrophobicContact CD2-CD1 4.08Å; L182-L190 HydrophobicContact CG-CB 4.05Å; E186-L190 PolarHBondContact O-N 2.94Å; P187-L190 PolarHBondContact O-N 3.35Å; L190-H192 VanDerWaalsContact C-N 3.3Å; L190-H192 PolarHBondContact O-N 2.9Å; L190-L193 PolarHBondContact O-N 3.13Å; L190-R194 HydrophobicContact CD1-CG 4.47Å; L190-R194 WeakPolarHBondContact O-CG 3.48Å; L190-R194 PolarHBondContact O-N 2.71Å; L190-L199 HydrophobicContact CD1-CD1 4.27Å; L190-L199 HydrophobicContact CD1-CD2 4.01Å |
| 191 | N | 97.9 | Very high | 97.3 | Very high | 96 Ų | 96 | 54.7 Ų | 54.7 | 51% | 0.513 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.1 | -37.2 | 179.5 | -72.1 | -21.3 | 0 | 0 | 0 | 112.3 | P187 R188 L189 R194 S195 | P187-N191 WeakPolarHBondContact O-CB 3.32Å; P187-N191 VanDerWaalsContact O-CG 3.26Å; P187-N191 PolarHBondContact O-N 3.33Å; P187-N191 PolarHBondContact O-ND2 2.73Å; R188-N191 PolarHBondContact O-N 3.27Å; L189-N191 VanDerWaalsContact C-N 3.34Å; L189-N191 PolarHBondContact O-N 3.08Å; N191-R194 PolarHBondContact O-N 3.04Å; N191-S195 WeakPolarHBondContact O-CB 3.34Å; N191-S195 PolarHBondContact O-N 3.39Å; N191-S195 PolarHBondContact O-OG 3.35Å |
| 192 | H | 98.2 | Very high | 97.3 | Very high | 29 Ų | 29 | 53.5 Ų | 53.5 | 13% | 0.134 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.2 | -47 | 173.9 | -180 | 76.8 | 0 | 0 | 0 | 112.6 | R188 L189 L190 R194 S195 V196 L251 M252 H254 | R188-H192 PolarHBondContact O-N 2.81Å; L189-H192 WeakPolarHBondContact O-CB 3.25Å; L189-H192 PolarHBondContact O-N 3.37Å; L190-H192 VanDerWaalsContact C-N 3.3Å; L190-H192 PolarHBondContact O-N 2.9Å; H192-R194 PolarHBondContact O-N 2.87Å; H192-S195 PolarHBondContact O-N 3.32Å; H192-S195 PolarHBondContact O-OG 3.43Å; H192-V196 WeakPolarHBondContact O-CG2 3.32Å; H192-V196 PolarHBondContact O-N 2.84Å; H192-L251 PolarHBondContact NE2-O 3.27Å; H192-L251 VanDerWaalsContact NE2-O 3.13Å; H192-M252 HydrophobicContact CB-CE 3.82Å; H192-M252 HydrophobicContact CB-SD 3.41Å; H192-M252 WeakPolarHBondContact CB-SD 3.12Å; H192-M252 PolarHBondContact CE1-O 2.82Å; H192-M252 VanDerWaalsContact CG-SD 3.56Å; H192-M252 PolarHBondContact NE2-O 3.2Å; H192-H254 PolarHBondContact CE1-O 2.96Å; H192-H254 PolarHBondContact NE2-O 2.98Å |
| 193 | L | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.5 | -32.7 | 177.2 | -67.2 | 175.1 | 0 | 0 | 0 | 112.1 | L182 L189 L190 G197 A198 L199 L244 V260 | L182-L193 HydrophobicContact CD2-CD1 4.03Å; L189-L193 HydrophobicContact CD1-CD1 4.41Å; L189-L193 HydrophobicContact CD1-CG 4.23Å; L189-L193 HydrophobicContact CG-CD1 4.21Å; L189-L193 HydrophobicContact CG-CG 4.46Å; L189-L193 WeakPolarHBondContact O-CG 3.37Å; L189-L193 PolarHBondContact O-N 3.33Å; L190-L193 PolarHBondContact O-N 3.13Å; L193-G197 PolarHBondContact O-N 3.12Å; L193-A198 HydrophobicContact CD2-CB 4.14Å; L193-A198 PolarHBondContact O-N 3.19Å; L193-L199 PolarHBondContact O-N 3.35Å; L193-L244 HydrophobicContact CD1-CD2 4.32Å; L193-V260 HydrophobicContact CD2-CG1 3.9Å; L193-V260 HydrophobicContact CD2-CG2 4.43Å |
| 194 | R | 97.4 | Very high | 97.2 | Very high | 124 Ų | 124 | 54.2 Ų | 54.2 | 47% | 0.468 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -70.3 | -47.5 | 172.3 | -73.9 | 179.7 | 177.1 | 166.6 | -1.1 | 112.3 | E179 L190 N191 H192 V196 G197 L199 | E179-R194 IonicContact OE2-CZ 3.8Å; E179-R194 IonicContact OE2-NE 3.97Å; E179-R194 IonicContact OE2-NH2 2.8Å; E179-R194 PolarHBondContact OE2-NH2 3.22Å; L190-R194 HydrophobicContact CD1-CG 4.47Å; L190-R194 WeakPolarHBondContact O-CG 3.48Å; L190-R194 PolarHBondContact O-N 2.71Å; N191-R194 PolarHBondContact O-N 3.04Å; H192-R194 PolarHBondContact O-N 2.87Å; R194-V196 VanDerWaalsContact C-N 3.3Å; R194-V196 PolarHBondContact O-N 3.23Å; R194-G197 PolarHBondContact O-N 3.26Å; R194-L199 HydrophobicContact CG-CD2 3.55Å |
| 195 | S | 97.4 | Very high | 97.1 | Very high | 96 Ų | 96 | 51.1 Ų | 51.1 | 67% | 0.671 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -65.3 | -34 | -177.2 | 66.4 | 0 | 0 | 0 | 0 | 112.7 | N191 H192 G197 | N191-S195 WeakPolarHBondContact O-CB 3.34Å; N191-S195 PolarHBondContact O-N 3.39Å; N191-S195 PolarHBondContact O-OG 3.35Å; H192-S195 PolarHBondContact O-N 3.32Å; H192-S195 PolarHBondContact O-OG 3.43Å; S195-G197 VanDerWaalsContact C-N 3.3Å |
| 196 | V | 96.8 | Very high | 97.1 | Very high | 25 Ų | 25 | 49.5 Ų | 49.5 | 15% | 0.152 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -9.1 | 176 | 175.8 | 0 | 0 | 0 | 0 | 112.4 | H192 R194 A198 T255 P257 | H192-V196 WeakPolarHBondContact O-CG2 3.32Å; H192-V196 PolarHBondContact O-N 2.84Å; R194-V196 VanDerWaalsContact C-N 3.3Å; R194-V196 PolarHBondContact O-N 3.23Å; V196-A198 VanDerWaalsContact C-N 3.27Å; V196-A198 PolarHBondContact O-N 2.98Å; V196-T255 VanDerWaalsContact CG1-C 3.49Å; V196-T255 WeakPolarHBondContact CG1-O 3.31Å; V196-P257 WeakPolarHBondContact O-CD 3.32Å |
| 197 | G | 96.8 | Very high | 97.1 | Very high | 29 Ų | 29 | 47.8 Ų | 47.8 | 30% | 0.299 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 20.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L193 R194 S195 Q201 | L193-G197 PolarHBondContact O-N 3.12Å; R194-G197 PolarHBondContact O-N 3.26Å; S195-G197 VanDerWaalsContact C-N 3.3Å; G197-Q201 PolarHBondContact O-NE2 2.91Å |
| 198 | A | 97 | Very high | 97.1 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -81.8 | -27.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L193 V196 Q201 L202 P257 V260 | L193-A198 HydrophobicContact CD2-CB 4.14Å; L193-A198 PolarHBondContact O-N 3.19Å; V196-A198 VanDerWaalsContact C-N 3.27Å; V196-A198 PolarHBondContact O-N 2.98Å; A198-Q201 CarbonylContact O-C 3.55Å; A198-Q201 WeakPolarHBondContact O-CA 3.36Å; A198-Q201 PolarHBondContact O-N 2.99Å; A198-L202 PolarHBondContact O-N 3.07Å; A198-L202 VanDerWaalsContact O-N 3.16Å; A198-P257 HydrophobicContact CB-CB 4.02Å; A198-V260 HydrophobicContact CB-CB 4Å; A198-V260 HydrophobicContact CB-CG1 3.96Å; A198-V260 HydrophobicContact CB-CG2 4.15Å | ||
| 199 | L | 95.2 | Very high | 96.9 | Very high | 13 Ų | 13 | 41.8 Ų | 41.8 | 7% | 0.068 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -53 | -50.5 | -174.3 | -168.1 | 63 | 0 | 0 | 0 | 114.7 | E179 L190 L193 R194 Q201 L202 Y204 | E179-L199 HydrophobicContact CG-CD1 4.08Å; E179-L199 HydrophobicContact CG-CD2 4.02Å; E179-L199 HydrophobicContact CG-CG 4.38Å; L190-L199 HydrophobicContact CD1-CD1 4.27Å; L190-L199 HydrophobicContact CD1-CD2 4.01Å; L193-L199 PolarHBondContact O-N 3.35Å; R194-L199 HydrophobicContact CG-CD2 3.55Å; L199-Q201 PolarHBondContact O-N 3.18Å; L199-L202 HydrophobicContact CD1-CD1 3.85Å; L199-L202 WeakPolarHBondContact O-CG 3.29Å; L199-L202 PolarHBondContact O-N 2.95Å; L199-Y204 WeakPolarHBondContact O-CE2 3.43Å; L199-Y204 PolarHBondContact O-OH 3.39Å; L199-Y204 VanDerWaalsContact O-OH 3.1Å |
| 200 | P | 96.3 | Very high | 96.7 | Very high | 106 Ų | 106 | 44.5 Ų | 44.5 | 69% | 0.688 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -70.8 | -11.7 | 178.2 | 29.4 | -35.9 | 0 | 0 | 0 | 113.8 | ||
| 201 | Q | 96.9 | Very high | 96.7 | Very high | 96 Ų | 96 | 44.3 Ų | 44.3 | 45% | 0.449 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -103.5 | 0.3 | -177.1 | -58.4 | -174.8 | 52.9 | 0 | 0 | 113 | G197 A198 L199 V261 | G197-Q201 PolarHBondContact O-NE2 2.91Å; A198-Q201 CarbonylContact O-C 3.55Å; A198-Q201 WeakPolarHBondContact O-CA 3.36Å; A198-Q201 PolarHBondContact O-N 2.99Å; L199-Q201 PolarHBondContact O-N 3.18Å; Q201-V261 HydrophobicContact CB-CG2 3.83Å; Q201-V261 WeakPolarHBondContact O-CG2 3.42Å |
| 202 | L | 97.8 | Very high | 96.7 | Very high | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -54.6 | 150.2 | 176.4 | -66.6 | -177.1 | 0 | 0 | 0 | 110.6 | A198 L199 Y204 W207 V260 L264 | A198-L202 PolarHBondContact O-N 3.07Å; A198-L202 VanDerWaalsContact O-N 3.16Å; L199-L202 HydrophobicContact CD1-CD1 3.85Å; L199-L202 WeakPolarHBondContact O-CG 3.29Å; L199-L202 PolarHBondContact O-N 2.95Å; L202-Y204 HydrophobicContact CB-CD1 4.42Å; L202-Y204 HydrophobicContact CB-CD2 4.27Å; L202-Y204 HydrophobicContact CB-CE1 4.06Å; L202-Y204 HydrophobicContact CB-CE2 3.88Å; L202-Y204 HydrophobicContact CD1-CE1 4.32Å; L202-Y204 VanDerWaalsContact O-CD2 3.32Å; L202-Y204 WeakPolarHBondContact O-CD2 3.48Å; L202-Y204 PolarHBondContact O-N 3.27Å; L202-W207 HydrophobicContact CB-CH2 4.07Å; L202-W207 HydrophobicContact CB-CZ3 3.93Å; L202-W207 HydrophobicContact CD1-CH2 4.15Å; L202-W207 HydrophobicContact CD1-CZ3 4.03Å; L202-W207 HydrophobicContact CD2-CH2 4.33Å; L202-W207 HydrophobicContact CG-CH2 4.42Å; L202-W207 HydrophobicContact CG-CZ3 4.5Å; L202-V260 HydrophobicContact CD2-CG1 4.09Å; L202-L264 HydrophobicContact CD2-CD1 3.53Å |
| 203 | P | 97.2 | Very high | 96.7 | Very high | 15 Ų | 15 | 38.4 Ų | 38.4 | 10% | 0.097 | 21% | 0.206 | C | C | . | . | trans | -76.5 | 59.4 | -174 | 32.2 | -36 | 0 | 0 | 0 | 112.3 | S205 L206 W207 L264 | P203-S205 VanDerWaalsContact C-N 3.25Å; P203-S205 PolarHBondContact O-N 2.64Å; P203-L206 HydrophobicContact CB-CB 4.09Å; P203-L206 HydrophobicContact CB-CD2 4.39Å; P203-L206 WeakPolarHBondContact O-CB 3.31Å; P203-L206 PolarHBondContact O-N 3.43Å; P203-W207 HydrophobicContact CG-CD2 4.32Å; P203-W207 HydrophobicContact CG-CH2 4.25Å; P203-W207 HydrophobicContact CG-CZ2 3.6Å; P203-W207 PolarHBondContact O-N 2.92Å; P203-W207 VanDerWaalsContact O-N 3.11Å; P203-L264 HydrophobicContact CG-CB 3.96Å | ||
| 204 | Y | 96.8 | Very high | 96.5 | Very high | 40 Ų | 40 | 41.5 Ų | 41.5 | 16% | 0.157 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.9 | -32.9 | -178.8 | -64.5 | -58.2 | 0 | 0 | 0 | 112.9 | P175 L178 L199 L202 W207 F208 | P175-Y204 HydrophobicContact CB-CD1 4.05Å; P175-Y204 HydrophobicContact CB-CE1 3.74Å; P175-Y204 HydrophobicContact CB-CE2 4.37Å; P175-Y204 HydrophobicContact CB-CG 4.46Å; P175-Y204 HydrophobicContact CG-CD1 4.04Å; P175-Y204 HydrophobicContact CG-CE1 4.25Å; P175-Y204 HydrophobicContact CG-CG 4.21Å; L178-Y204 HydrophobicContact CD2-CE1 4.01Å; L199-Y204 WeakPolarHBondContact O-CE2 3.43Å; L199-Y204 PolarHBondContact O-OH 3.39Å; L199-Y204 VanDerWaalsContact O-OH 3.1Å; L202-Y204 HydrophobicContact CB-CD1 4.42Å; L202-Y204 HydrophobicContact CB-CD2 4.27Å; L202-Y204 HydrophobicContact CB-CE1 4.06Å; L202-Y204 HydrophobicContact CB-CE2 3.88Å; L202-Y204 HydrophobicContact CD1-CE1 4.32Å; L202-Y204 VanDerWaalsContact O-CD2 3.32Å; L202-Y204 WeakPolarHBondContact O-CD2 3.48Å; L202-Y204 PolarHBondContact O-N 3.27Å; Y204-W207 HydrophobicContact CD1-CE3 4.05Å; Y204-W207 HydrophobicContact CD1-CZ3 4.29Å; Y204-W207 HydrophobicContact CE1-CE3 4.44Å; Y204-W207 HydrophobicContact CE1-CZ3 4.27Å; Y204-W207 PolarHBondContact O-N 2.99Å; Y204-F208 AromaticContact CD1-CD2 3.95Å; Y204-F208 HydrophobicContact CD1-CD2 3.95Å; Y204-F208 AromaticContact CD1-CE2 3.48Å; Y204-F208 HydrophobicContact CD1-CE2 3.48Å; Y204-F208 VanDerWaalsContact CD1-CE2 3.48Å; Y204-F208 HydrophobicContact CD1-CZ 4.38Å; Y204-F208 HydrophobicContact CE1-CE2 4.09Å; Y204-F208 HydrophobicContact CG-CE2 4.43Å; Y204-F208 WeakPolarHBondContact O-CB 3.36Å; Y204-F208 PolarHBondContact O-N 3.3Å |
| 205 | S | 94.1 | Very high | 96.5 | Very high | 50 Ų | 50 | 35.8 Ų | 35.8 | 35% | 0.35 | 22% | 0.217 | S | C | . | . | I | π-helix | trans | -62.8 | -44.2 | 174.6 | -154 | 0 | 0 | 0 | 0 | 111.3 | P203 W207 K209 R210 | P203-S205 VanDerWaalsContact C-N 3.25Å; P203-S205 PolarHBondContact O-N 2.64Å; S205-W207 VanDerWaalsContact C-N 3.35Å; S205-W207 PolarHBondContact O-N 3.41Å; S205-K209 WeakPolarHBondContact O-CA 3.35Å; S205-K209 VanDerWaalsContact O-CB 3.32Å; S205-K209 WeakPolarHBondContact O-CB 3.5Å; S205-K209 PolarHBondContact O-N 3.14Å; S205-R210 PolarHBondContact O-N 2.85Å |
| 206 | L | 96.2 | Very high | 96.5 | Very high | 22 Ų | 22 | 31.4 Ų | 31.4 | 12% | 0.115 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -63 | -41.4 | 177.1 | -178.2 | 61.2 | 0 | 0 | 0 | 111.6 | P203 R210 F212 A213 C215 | P203-L206 HydrophobicContact CB-CB 4.09Å; P203-L206 HydrophobicContact CB-CD2 4.39Å; P203-L206 WeakPolarHBondContact O-CB 3.31Å; P203-L206 PolarHBondContact O-N 3.43Å; L206-R210 WeakPolarHBondContact O-CB 3.21Å; L206-F212 WeakPolarHBondContact O-CA 3.47Å; L206-F212 PolarHBondContact O-N 3.4Å; L206-A213 WeakPolarHBondContact CD1-O 3.33Å; L206-C215 HydrophobicContact CD1-CB 4.02Å; L206-C215 HydrophobicContact CD2-CB 3.88Å; L206-C215 HydrophobicContact CG-CB 3.94Å |
| 207 | W | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -78.8 | -41 | -176.7 | -59.3 | -18.2 | 0 | 0 | 0 | 113.4 | L178 L202 P203 Y204 S205 C211 F212 A240 L244 L264 | L178-W207 HydrophobicContact CD2-CE3 4.11Å; L178-W207 HydrophobicContact CD2-CZ3 3.62Å; L202-W207 HydrophobicContact CB-CH2 4.07Å; L202-W207 HydrophobicContact CB-CZ3 3.93Å; L202-W207 HydrophobicContact CD1-CH2 4.15Å; L202-W207 HydrophobicContact CD1-CZ3 4.03Å; L202-W207 HydrophobicContact CD2-CH2 4.33Å; L202-W207 HydrophobicContact CG-CH2 4.42Å; L202-W207 HydrophobicContact CG-CZ3 4.5Å; P203-W207 HydrophobicContact CG-CD2 4.32Å; P203-W207 HydrophobicContact CG-CH2 4.25Å; P203-W207 HydrophobicContact CG-CZ2 3.6Å; P203-W207 PolarHBondContact O-N 2.92Å; P203-W207 VanDerWaalsContact O-N 3.11Å; Y204-W207 HydrophobicContact CD1-CE3 4.05Å; Y204-W207 HydrophobicContact CD1-CZ3 4.29Å; Y204-W207 HydrophobicContact CE1-CE3 4.44Å; Y204-W207 HydrophobicContact CE1-CZ3 4.27Å; Y204-W207 PolarHBondContact O-N 2.99Å; S205-W207 VanDerWaalsContact C-N 3.35Å; S205-W207 PolarHBondContact O-N 3.41Å; W207-C211 WeakPolarHBondContact O-CA 3.48Å; W207-F212 HydrophobicContact CB-CE1 3.85Å; W207-F212 HydrophobicContact CB-CE2 4.19Å; W207-F212 HydrophobicContact CB-CZ 3.64Å; W207-F212 AromaticContact CD1-CD1 3.6Å; W207-F212 AromaticContact CD1-CE1 3.16Å; W207-F212 AromaticContact CD1-CZ 3.9Å; W207-F212 HydrophobicContact CD2-CE1 4.36Å; W207-F212 HydrophobicContact CG-CD1 4.28Å; W207-F212 AromaticContact CG-CE1 3.53Å; W207-F212 HydrophobicContact CG-CE1 3.53Å; W207-F212 AromaticContact CG-CZ 3.79Å; W207-F212 HydrophobicContact CG-CZ 3.79Å; W207-F212 AromaticContact NE1-CE1 3.78Å; W207-F212 WeakPolarHBondContact O-CE2 3.32Å; W207-A240 HydrophobicContact CD2-CB 3.89Å; W207-A240 HydrophobicContact CE3-CB 3.64Å; W207-A240 HydrophobicContact CG-CB 4.37Å; W207-A240 HydrophobicContact CZ3-CB 4.03Å; W207-L244 HydrophobicContact CH2-CD2 4.37Å; W207-L264 HydrophobicContact CH2-CD1 4.08Å; W207-L264 HydrophobicContact CZ2-CB 4.26Å; W207-L264 HydrophobicContact CZ2-CD1 4.09Å; W207-L264 HydrophobicContact CZ2-CD2 4.38Å; W207-L264 HydrophobicContact CZ2-CG 4.49Å |
| 208 | F | 96.3 | Very high | 96.5 | Very high | 9 Ų | 9 | 32.9 Ų | 32.9 | 4% | 0.039 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -115 | -18 | -165.4 | -54.6 | -32.9 | 0 | 0 | 0 | 114.8 | F163 L174 P175 L178 Y204 L236 V237 A240 | F163-F208 WeakPolarHBondContact CE1-O 3.48Å; F163-F208 WeakPolarHBondContact CZ-O 3.11Å; L174-F208 HydrophobicContact CB-CD1 4.23Å; L174-F208 HydrophobicContact CB-CD2 3.8Å; L174-F208 HydrophobicContact CB-CE1 4.28Å; L174-F208 HydrophobicContact CB-CE2 3.82Å; L174-F208 HydrophobicContact CB-CG 4.02Å; L174-F208 HydrophobicContact CB-CZ 4.08Å; L174-F208 HydrophobicContact CD1-CB 4.13Å; L174-F208 HydrophobicContact CD1-CD1 3.92Å; L174-F208 HydrophobicContact CD1-CG 3.97Å; P175-F208 HydrophobicContact CB-CE2 4.48Å; P175-F208 HydrophobicContact CG-CD2 4.05Å; P175-F208 HydrophobicContact CG-CE2 3.97Å; L178-F208 HydrophobicContact CD2-CZ 4.41Å; Y204-F208 AromaticContact CD1-CD2 3.95Å; Y204-F208 HydrophobicContact CD1-CD2 3.95Å; Y204-F208 AromaticContact CD1-CE2 3.48Å; Y204-F208 HydrophobicContact CD1-CE2 3.48Å; Y204-F208 VanDerWaalsContact CD1-CE2 3.48Å; Y204-F208 HydrophobicContact CD1-CZ 4.38Å; Y204-F208 HydrophobicContact CE1-CE2 4.09Å; Y204-F208 HydrophobicContact CG-CE2 4.43Å; Y204-F208 WeakPolarHBondContact O-CB 3.36Å; Y204-F208 PolarHBondContact O-N 3.3Å; F208-L236 HydrophobicContact CD1-CB 3.86Å; F208-L236 HydrophobicContact CE1-CB 4.08Å; F208-V237 HydrophobicContact CE1-CG2 4.33Å; F208-V237 HydrophobicContact CZ-CG2 4.38Å; F208-A240 HydrophobicContact CE1-CB 4.33Å; F208-A240 HydrophobicContact CZ-CB 4.36Å |
| 209 | K | 93.9 | Very high | 96.4 | Very high | 117 Ų | 117 | 36.1 Ų | 36.1 | 51% | 0.509 | 21% | 0.209 | S | C | . | . | I | π-helix | trans | -98.4 | -44.5 | 169.2 | -61 | -168 | -175.6 | 177.2 | 0 | 111.9 | D134 S205 C211 | D134-K209 WeakPolarHBondContact OD2-CD 3.3Å; S205-K209 WeakPolarHBondContact O-CA 3.35Å; S205-K209 VanDerWaalsContact O-CB 3.32Å; S205-K209 WeakPolarHBondContact O-CB 3.5Å; S205-K209 PolarHBondContact O-N 3.14Å; K209-C211 VanDerWaalsContact C-N 3.31Å |
| 210 | R | 95.6 | Very high | 96.5 | Very high | 56 Ų | 56 | 35.5 Ų | 35.5 | 21% | 0.211 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -85.6 | -3.5 | 177.3 | -55.5 | -176.4 | -174.8 | -175.1 | -1.7 | 113.3 | D134 A137 S205 L206 F212 A213 | D134-R210 HydrophobicContact CB-CG 4.27Å; D134-R210 WeakPolarHBondContact OD1-CG 3.34Å; D134-R210 IonicContact OD1-CZ 3.77Å; D134-R210 IonicContact OD1-NE 3.55Å; D134-R210 PolarHBondContact OD1-NE 3.45Å; D134-R210 IonicContact OD1-NH2 3.63Å; D134-R210 PolarHBondContact OD1-NH2 3.48Å; A137-R210 HydrophobicContact CB-CG 4.3Å; S205-R210 PolarHBondContact O-N 2.85Å; L206-R210 WeakPolarHBondContact O-CB 3.21Å; R210-F212 PolarHBondContact O-N 3.37Å; R210-F212 VanDerWaalsContact O-N 3.12Å; R210-A213 HydrophobicContact CB-CB 4.37Å; R210-A213 WeakPolarHBondContact O-CB 3.32Å; R210-A213 PolarHBondContact O-N 2.96Å |
| 211 | C | 97.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 38.7 | -179.9 | -58.4 | 0 | 0 | 0 | 0 | 112.9 | F159 F163 W207 K209 A213 L221 W225 L236 | F159-C211 HydrophobicContact CE1-CB 4.45Å; F159-C211 HydrophobicContact CZ-CB 4.2Å; F163-C211 WeakPolarHBondContact CE2-SG 3.44Å; F163-C211 WeakPolarHBondContact CZ-SG 3.47Å; W207-C211 WeakPolarHBondContact O-CA 3.48Å; K209-C211 VanDerWaalsContact C-N 3.31Å; C211-A213 VanDerWaalsContact C-N 3.3Å; C211-A213 PolarHBondContact O-N 2.9Å; C211-L221 WeakPolarHBondContact O-CD1 3.4Å; C211-W225 PolarHBondContact O-NE1 2.92Å; C211-W225 VanDerWaalsContact O-NE1 3.16Å; C211-L236 HydrophobicContact CB-CD1 4.49Å; C211-L236 HydrophobicContact CB-CD2 4.14Å |
| 212 | F | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 9.7 | -174.5 | -56.7 | -91 | 0 | 0 | 0 | 116.9 | L206 W207 R210 G214 C215 L216 L221 L236 V239 A240 I243 | L206-F212 WeakPolarHBondContact O-CA 3.47Å; L206-F212 PolarHBondContact O-N 3.4Å; W207-F212 HydrophobicContact CB-CE1 3.85Å; W207-F212 HydrophobicContact CB-CE2 4.19Å; W207-F212 HydrophobicContact CB-CZ 3.64Å; W207-F212 AromaticContact CD1-CD1 3.6Å; W207-F212 AromaticContact CD1-CE1 3.16Å; W207-F212 AromaticContact CD1-CZ 3.9Å; W207-F212 HydrophobicContact CD2-CE1 4.36Å; W207-F212 HydrophobicContact CG-CD1 4.28Å; W207-F212 AromaticContact CG-CE1 3.53Å; W207-F212 HydrophobicContact CG-CE1 3.53Å; W207-F212 AromaticContact CG-CZ 3.79Å; W207-F212 HydrophobicContact CG-CZ 3.79Å; W207-F212 AromaticContact NE1-CE1 3.78Å; W207-F212 WeakPolarHBondContact O-CE2 3.32Å; R210-F212 PolarHBondContact O-N 3.37Å; R210-F212 VanDerWaalsContact O-N 3.12Å; F212-G214 PolarHBondContact O-N 3.47Å; F212-C215 HydrophobicContact CB-CB 4.27Å; F212-C215 HydrophobicContact CD1-CB 4.39Å; F212-C215 WeakPolarHBondContact O-CB 3.45Å; F212-C215 PolarHBondContact O-N 3.49Å; F212-L216 HydrophobicContact CB-CD1 3.83Å; F212-L216 HydrophobicContact CB-CG 4.02Å; F212-L216 HydrophobicContact CD1-CD1 4.31Å; F212-L216 HydrophobicContact CD1-CG 4.45Å; F212-L216 HydrophobicContact CG-CD1 4.09Å; F212-L216 HydrophobicContact CG-CG 4.5Å; F212-L216 PolarHBondContact O-N 3.44Å; F212-L221 HydrophobicContact CB-CD1 3.84Å; F212-L236 HydrophobicContact CD2-CD2 3.8Å; F212-L236 HydrophobicContact CE2-CB 3.97Å; F212-L236 HydrophobicContact CE2-CD2 3.79Å; F212-L236 HydrophobicContact CE2-CG 4.5Å; F212-L236 WeakPolarHBondContact CE2-O 3.3Å; F212-L236 WeakPolarHBondContact CZ-O 3.25Å; F212-V239 HydrophobicContact CD1-CG1 4.03Å; F212-V239 HydrophobicContact CD2-CB 4.42Å; F212-V239 HydrophobicContact CD2-CG1 4.03Å; F212-V239 HydrophobicContact CE1-CB 4.38Å; F212-V239 HydrophobicContact CE1-CG1 3.7Å; F212-V239 HydrophobicContact CE2-CB 3.75Å; F212-V239 HydrophobicContact CE2-CG1 3.72Å; F212-V239 HydrophobicContact CG-CG1 4.19Å; F212-V239 HydrophobicContact CZ-CB 3.73Å; F212-V239 HydrophobicContact CZ-CG1 3.55Å; F212-A240 HydrophobicContact CZ-CB 3.99Å; F212-I243 HydrophobicContact CD1-CD1 4.13Å; F212-I243 HydrophobicContact CE1-CD1 3.7Å |
| 213 | A | 97.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 128.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | A137 I138 A141 L206 R210 C211 C215 L221 W225 | A137-A213 HydrophobicContact CB-CB 4.15Å; A137-A213 WeakPolarHBondContact O-CB 3.32Å; I138-A213 HydrophobicContact CG1-CB 4.28Å; A141-A213 HydrophobicContact CB-CB 3.96Å; L206-A213 WeakPolarHBondContact CD1-O 3.33Å; R210-A213 HydrophobicContact CB-CB 4.37Å; R210-A213 WeakPolarHBondContact O-CB 3.32Å; R210-A213 PolarHBondContact O-N 2.96Å; C211-A213 VanDerWaalsContact C-N 3.3Å; C211-A213 PolarHBondContact O-N 2.9Å; A213-C215 VanDerWaalsContact C-N 3.28Å; A213-L221 HydrophobicContact CB-CD2 4.48Å; A213-W225 HydrophobicContact CB-CZ2 4.2Å |
| 214 | G | 95 | Very high | 96.7 | Very high | 66 Ų | 66 | 28.7 Ų | 28.7 | 68% | 0.68 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.4 | 5.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | F212 | F212-G214 PolarHBondContact O-N 3.47Š|
| 215 | C | 96 | Very high | 96.8 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 3% | 0.027 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -44.9 | 175.3 | -177.1 | 0 | 0 | 0 | 0 | 112.2 | L206 F212 A213 Q269 | L206-C215 HydrophobicContact CD1-CB 4.02Å; L206-C215 HydrophobicContact CD2-CB 3.88Å; L206-C215 HydrophobicContact CG-CB 3.94Å; F212-C215 HydrophobicContact CB-CB 4.27Å; F212-C215 HydrophobicContact CD1-CB 4.39Å; F212-C215 WeakPolarHBondContact O-CB 3.45Å; F212-C215 PolarHBondContact O-N 3.49Å; A213-C215 VanDerWaalsContact C-N 3.28Å; C215-Q269 PolarHBondContact O-NE2 2.89Å; C215-Q269 VanDerWaalsContact O-NE2 3.14Å |
| 216 | L | 97.5 | Very high | 97 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -107 | 147.3 | 178.2 | -62.5 | 175.6 | 0 | 0 | 0 | 110.4 | F212 L221 V224 V239 I267 T272 V276 | F212-L216 HydrophobicContact CB-CD1 3.83Å; F212-L216 HydrophobicContact CB-CG 4.02Å; F212-L216 HydrophobicContact CD1-CD1 4.31Å; F212-L216 HydrophobicContact CD1-CG 4.45Å; F212-L216 HydrophobicContact CG-CD1 4.09Å; F212-L216 HydrophobicContact CG-CG 4.5Å; F212-L216 PolarHBondContact O-N 3.44Å; L216-L221 HydrophobicContact CB-CB 4.34Å; L216-L221 HydrophobicContact CB-CD1 4.45Å; L216-L221 HydrophobicContact CD1-CD1 4.4Å; L216-V224 HydrophobicContact CD1-CG2 4.46Å; L216-V239 HydrophobicContact CD1-CG1 3.9Å; L216-I267 HydrophobicContact CD2-CD1 4.1Å; L216-T272 HydrophobicContact CD2-CG2 3.91Å; L216-V276 HydrophobicContact CD1-CG2 4.01Å |
| 217 | P | 97.3 | Very high | 97 | Very high | 28 Ų | 28 | 23.5 Ų | 23.5 | 18% | 0.182 | 13% | 0.132 | C | C | . | . | trans | -61.5 | 145.7 | 170.3 | -18.2 | 31.4 | 0 | 0 | 0 | 110.5 | S219 S220 L221 Q269 T272 | P217-S219 PolarHBondContact O-N 2.95Å; P217-S220 PolarHBondContact O-N 3.41Å; P217-L221 WeakPolarHBondContact O-CB 3.36Å; P217-L221 PolarHBondContact O-N 3.26Å; P217-Q269 HydrophobicContact CG-CB 4.39Å; P217-T272 WeakPolarHBondContact CD-OG1 3.38Å; P217-T272 HydrophobicContact CG-CG2 4.27Å | ||
| 218 | E | 97.1 | Very high | 97 | Very high | 58 Ų | 58 | 23.7 Ų | 23.7 | 27% | 0.271 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -63.2 | -30.9 | -173.3 | -72 | 77.3 | -162.2 | 0 | 0 | 112.7 | A141 E144 I145 S220 L221 Q222 | A141-E218 HydrophobicContact CB-CG 4.15Å; E144-E218 HydrophobicContact CB-CB 4.21Å; E144-E218 HydrophobicContact CB-CG 3.79Å; E144-E218 HydrophobicContact CG-CG 4.42Å; I145-E218 HydrophobicContact CD1-CB 4.29Å; I145-E218 HydrophobicContact CD1-CG 4.48Å; I145-E218 HydrophobicContact CG1-CB 3.86Å; I145-E218 HydrophobicContact CG1-CG 4.29Å; E218-S220 VanDerWaalsContact C-N 3.27Å; E218-S220 PolarHBondContact O-N 2.98Å; E218-L221 PolarHBondContact O-N 2.98Å; E218-Q222 WeakPolarHBondContact O-CG 3.36Å; E218-Q222 PolarHBondContact O-N 2.86Å |
| 219 | S | 95.1 | Very high | 97.1 | Very high | 68 Ų | 68 | 23.7 Ų | 23.7 | 48% | 0.476 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -56.9 | -38.6 | 172.7 | 59.9 | 0 | 0 | 0 | 0 | 112.9 | P217 Q222 | P217-S219 PolarHBondContact O-N 2.95Å; S219-Q222 WeakPolarHBondContact O-CG 3.45Å; S219-Q222 PolarHBondContact O-NE2 2.61Å |
| 220 | S | 96.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -86.3 | -41.1 | 175.3 | -52.3 | 0 | 0 | 0 | 0 | 111.6 | P217 E218 Q222 R223 T272 D273 | P217-S220 PolarHBondContact O-N 3.41Å; E218-S220 VanDerWaalsContact C-N 3.27Å; E218-S220 PolarHBondContact O-N 2.98Å; S220-Q222 PolarHBondContact O-N 2.67Å; S220-R223 WeakPolarHBondContact O-CB 3.29Å; S220-R223 PolarHBondContact O-N 3.35Å; S220-R223 VanDerWaalsContact O-N 3.14Å; S220-T272 PolarHBondContact OG-OG1 3.23Å; S220-D273 WeakPolarHBondContact CB-OD1 3.4Å; S220-D273 VanDerWaalsContact OG-CG 3.31Å; S220-D273 PolarHBondContact OG-OD1 3.42Å |
| 221 | L | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.4 | -40.2 | -174.4 | -176.1 | 59.9 | 0 | 0 | 0 | 112.6 | A141 C211 F212 A213 L216 P217 E218 R223 V224 W225 | A141-L221 HydrophobicContact CB-CD2 3.87Å; C211-L221 WeakPolarHBondContact O-CD1 3.4Å; F212-L221 HydrophobicContact CB-CD1 3.84Å; A213-L221 HydrophobicContact CB-CD2 4.48Å; L216-L221 HydrophobicContact CB-CB 4.34Å; L216-L221 HydrophobicContact CB-CD1 4.45Å; L216-L221 HydrophobicContact CD1-CD1 4.4Å; P217-L221 WeakPolarHBondContact O-CB 3.36Å; P217-L221 PolarHBondContact O-N 3.26Å; E218-L221 PolarHBondContact O-N 2.98Å; L221-R223 PolarHBondContact O-N 3.38Å; L221-R223 VanDerWaalsContact O-N 3.11Å; L221-V224 WeakPolarHBondContact O-CA 3.42Å; L221-V224 VanDerWaalsContact O-CB 3.32Å; L221-V224 WeakPolarHBondContact O-CB 3.41Å; L221-V224 PolarHBondContact O-N 2.81Å; L221-W225 HydrophobicContact CD2-CH2 4.29Å; L221-W225 HydrophobicContact CD2-CZ2 3.8Å; L221-W225 HydrophobicContact CG-CD2 4.25Å; L221-W225 HydrophobicContact CG-CG 4.49Å; L221-W225 HydrophobicContact CG-CZ2 4.23Å; L221-W225 PolarHBondContact O-N 3.04Å |
| 222 | Q | 97.8 | Very high | 97 | Very high | 38 Ų | 38 | 17.2 Ų | 17.2 | 18% | 0.178 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -55.9 | -31.3 | 177.5 | 66.9 | -175.7 | -33 | 0 | 0 | 112.6 | R56 W60 I145 E218 S219 S220 V224 W225 D226 | R56-Q222 VanDerWaalsContact CZ-OE1 3.29Å; W60-Q222 HydrophobicContact CH2-CB 4.2Å; W60-Q222 HydrophobicContact CZ2-CB 4.36Å; I145-Q222 HydrophobicContact CD1-CB 4.05Å; I145-Q222 HydrophobicContact CG1-CB 4.5Å; E218-Q222 WeakPolarHBondContact O-CG 3.36Å; E218-Q222 PolarHBondContact O-N 2.86Å; S219-Q222 WeakPolarHBondContact O-CG 3.45Å; S219-Q222 PolarHBondContact O-NE2 2.61Å; S220-Q222 PolarHBondContact O-N 2.67Å; Q222-V224 VanDerWaalsContact C-N 3.34Å; Q222-W225 PolarHBondContact O-N 3.09Å; Q222-D226 PolarHBondContact O-N 2.96Å |
| 223 | R | 97.8 | Very high | 96.8 | Very high | 42 Ų | 42 | 17.5 Ų | 17.5 | 16% | 0.158 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -72.7 | -28.8 | 177 | -62.4 | -170.8 | -71.1 | 134.5 | -9 | 112.5 | S220 L221 D273 V276 T277 | S220-R223 WeakPolarHBondContact O-CB 3.29Å; S220-R223 PolarHBondContact O-N 3.35Å; S220-R223 VanDerWaalsContact O-N 3.14Å; L221-R223 PolarHBondContact O-N 3.38Å; L221-R223 VanDerWaalsContact O-N 3.11Å; R223-D273 IonicContact CZ-OD1 2.66Å; R223-D273 IonicContact NE-OD1 2.77Å; R223-D273 VanDerWaalsContact NH2-CA 3.3Å; R223-D273 PolarHBondContact NH2-O 3.33Å; R223-D273 IonicContact NH2-OD1 3.95Å; R223-D273 PolarHBondContact NH2-OD1 3.15Å; R223-V276 HydrophobicContact CB-CG1 4.11Å; R223-T277 PolarHBondContact NH1-OG1 2.56Å |
| 224 | V | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -71.6 | -45.2 | 170.4 | -179 | 0 | 0 | 0 | 0 | 109.2 | L216 L221 Q222 D226 K227 V228 I235 L236 V239 V276 | L216-V224 HydrophobicContact CD1-CG2 4.46Å; L221-V224 WeakPolarHBondContact O-CA 3.42Å; L221-V224 VanDerWaalsContact O-CB 3.32Å; L221-V224 WeakPolarHBondContact O-CB 3.41Å; L221-V224 PolarHBondContact O-N 2.81Å; Q222-V224 VanDerWaalsContact C-N 3.34Å; V224-D226 VanDerWaalsContact C-N 3.32Å; V224-D226 PolarHBondContact O-N 3.3Å; V224-K227 WeakPolarHBondContact O-CA 3.49Å; V224-K227 WeakPolarHBondContact O-CB 3.42Å; V224-K227 PolarHBondContact O-N 3.47Å; V224-V228 HydrophobicContact CG1-CG2 4.5Å; V224-V228 PolarHBondContact O-N 3.34Å; V224-V228 VanDerWaalsContact O-N 3.1Å; V224-I235 HydrophobicContact CG1-CG1 4.29Å; V224-I235 HydrophobicContact CG1-CG2 4.3Å; V224-L236 HydrophobicContact CG1-CD2 3.95Å; V224-V239 HydrophobicContact CG1-CG2 4.08Å; V224-V239 HydrophobicContact CG2-CG2 3.86Å; V224-V276 HydrophobicContact CG2-CB 4.49Å; V224-V276 HydrophobicContact CG2-CG1 3.76Å; V224-V276 HydrophobicContact CG2-CG2 3.89Å |
| 225 | W | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.7 | -29.8 | 179.7 | -71.8 | 6.8 | 0 | 0 | 0 | 113.2 | W60 I138 A141 M142 I145 F159 C211 A213 L221 Q222 K227 V228 I229 | W60-W225 HydrophobicContact CH2-CB 3.91Å; W60-W225 AromaticContact CH2-CE3 3.95Å; W60-W225 HydrophobicContact CH2-CE3 3.95Å; W60-W225 HydrophobicContact CZ2-CB 3.81Å; W60-W225 HydrophobicContact CZ3-CE3 4.24Å; I138-W225 HydrophobicContact CG2-CH2 4Å; I138-W225 HydrophobicContact CG2-CZ2 4.42Å; A141-W225 HydrophobicContact CB-CH2 3.64Å; A141-W225 HydrophobicContact CB-CZ2 4.24Å; A141-W225 HydrophobicContact CB-CZ3 4.37Å; M142-W225 HydrophobicContact CB-CZ3 4.34Å; M142-W225 HydrophobicContact CE-CE3 3.89Å; M142-W225 HydrophobicContact CE-CH2 4.25Å; M142-W225 HydrophobicContact CE-CZ3 3.44Å; M142-W225 VanDerWaalsContact CE-CZ3 3.44Å; M142-W225 HydrophobicContact SD-CE3 4.17Å; M142-W225 HydrophobicContact SD-CZ3 3.73Å; I145-W225 HydrophobicContact CD1-CE3 4.01Å; I145-W225 HydrophobicContact CD1-CZ3 3.94Å; F159-W225 HydrophobicContact CE2-CD2 4.26Å; F159-W225 HydrophobicContact CE2-CG 4.18Å; F159-W225 HydrophobicContact CZ-CD2 4.17Å; F159-W225 HydrophobicContact CZ-CG 4.26Å; C211-W225 PolarHBondContact O-NE1 2.92Å; C211-W225 VanDerWaalsContact O-NE1 3.16Å; A213-W225 HydrophobicContact CB-CZ2 4.2Å; L221-W225 HydrophobicContact CD2-CH2 4.29Å; L221-W225 HydrophobicContact CD2-CZ2 3.8Å; L221-W225 HydrophobicContact CG-CD2 4.25Å; L221-W225 HydrophobicContact CG-CG 4.49Å; L221-W225 HydrophobicContact CG-CZ2 4.23Å; L221-W225 PolarHBondContact O-N 3.04Å; Q222-W225 PolarHBondContact O-N 3.09Å; W225-K227 PolarHBondContact O-N 2.83Å; W225-V228 PolarHBondContact O-N 3.49Å; W225-I229 HydrophobicContact CB-CD1 4.45Å; W225-I229 WeakPolarHBondContact O-CB 3.43Å; W225-I229 WeakPolarHBondContact O-CG1 3.31Å; W225-I229 PolarHBondContact O-N 2.98Å |
| 226 | D | 98.2 | Very high | 97 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -51.3 | -38.8 | 167.3 | -70.7 | -15.5 | 0 | 0 | 0 | 110.9 | L51 R56 W60 Q222 V224 S230 | L51-D226 HydrophobicContact CD1-CB 4.47Å; L51-D226 WeakPolarHBondContact CD1-OD1 3.36Å; L51-D226 HydrophobicContact CG-CB 4.46Å; L51-D226 PolarHBondContact N-OD2 3.25Å; L51-D226 VanDerWaalsContact N-OD2 3.09Å; R56-D226 IonicContact CZ-OD1 3.89Å; R56-D226 IonicContact CZ-OD2 3.03Å; R56-D226 IonicContact NE-OD1 3.87Å; R56-D226 PolarHBondContact NE-OD1 3.31Å; R56-D226 IonicContact NE-OD2 3.79Å; R56-D226 IonicContact NH2-OD1 2.71Å; R56-D226 IonicContact NH2-OD2 2.83Å; R56-D226 PolarHBondContact NH2-OD2 3.15Å; W60-D226 WeakPolarHBondContact CZ2-OD1 3.38Å; W60-D226 PolarHBondContact NE1-OD1 2.91Å; Q222-D226 PolarHBondContact O-N 2.96Å; V224-D226 VanDerWaalsContact C-N 3.32Å; V224-D226 PolarHBondContact O-N 3.3Å; D226-S230 WeakPolarHBondContact O-CB 3.3Å; D226-S230 PolarHBondContact O-N 3.28Å; D226-S230 PolarHBondContact O-OG 3.01Å |
| 227 | K | 97.4 | Very high | 97.1 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.009 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -80.8 | -37.1 | 179.8 | -48.2 | -49.1 | 173.9 | 178.2 | 0 | 112.9 | S46 Q47 F49 V224 W225 S230 G231 S232 I235 W283 | S46-K227 WeakPolarHBondContact O-CD 3.23Å; S46-K227 WeakPolarHBondContact O-CE 3.46Å; S46-K227 PolarHBondContact O-NZ 2.84Å; Q47-K227 PolarHBondContact O-NZ 2.81Å; F49-K227 PolarHBondContact O-NZ 3.27Å; V224-K227 WeakPolarHBondContact O-CA 3.49Å; V224-K227 WeakPolarHBondContact O-CB 3.42Å; V224-K227 PolarHBondContact O-N 3.47Å; W225-K227 PolarHBondContact O-N 2.83Å; K227-S230 WeakPolarHBondContact CA-OG 3.25Å; K227-S230 PolarHBondContact O-OG 3.33Å; K227-G231 PolarHBondContact O-N 3.04Å; K227-S232 PolarHBondContact O-N 2.86Å; K227-I235 HydrophobicContact CB-CB 4.06Å; K227-I235 HydrophobicContact CB-CG1 3.99Å; K227-I235 HydrophobicContact CB-CG2 3.94Å; K227-I235 HydrophobicContact CG-CG1 4.12Å; K227-W283 HydrophobicContact CB-CH2 4.4Å; K227-W283 HydrophobicContact CB-CZ3 4.35Å; K227-W283 HydrophobicContact CD-CH2 4.31Å; K227-W283 HydrophobicContact CD-CZ3 3.83Å; K227-W283 HydrophobicContact CG-CZ3 4.02Å |
| 228 | V | 97.4 | Very high | 97.1 | Very high | 5 Ų | 5 | 17.8 Ų | 17.8 | 3% | 0.03 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.4 | -48.7 | 176.8 | 177.3 | 0 | 0 | 0 | 0 | 110.4 | F159 F163 F167 V224 W225 S230 G231 S232 I235 L236 | F159-V228 HydrophobicContact CE2-CB 4.28Å; F159-V228 HydrophobicContact CE2-CG1 3.79Å; F159-V228 HydrophobicContact CZ-CG1 4.01Å; F163-V228 HydrophobicContact CD2-CG1 3.79Å; F163-V228 HydrophobicContact CE2-CG1 3.97Å; F167-V228 HydrophobicContact CE2-CG1 4.25Å; V224-V228 HydrophobicContact CG1-CG2 4.5Å; V224-V228 PolarHBondContact O-N 3.34Å; V224-V228 VanDerWaalsContact O-N 3.1Å; W225-V228 PolarHBondContact O-N 3.49Å; V228-S230 VanDerWaalsContact C-N 3.33Å; V228-S230 PolarHBondContact O-N 3.34Å; V228-G231 WeakPolarHBondContact O-CA 3.1Å; V228-G231 PolarHBondContact O-N 3.33Å; V228-S232 WeakPolarHBondContact CA-O 3.49Å; V228-I235 HydrophobicContact CG2-CG2 3.73Å; V228-L236 HydrophobicContact CG2-CD2 3.97Å; V228-L236 HydrophobicContact CG2-CG 4.29Å |
| 229 | I | 97.8 | Very high | 97.2 | Very high | 8 Ų | 8 | 15 Ų | 15 | 4% | 0.041 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65.6 | -37.6 | -179 | -69.6 | 167.7 | 0 | 0 | 0 | 111.1 | W60 L63 L64 F159 W225 G231 | W60-I229 HydrophobicContact CB-CD1 4.25Å; W60-I229 HydrophobicContact CD2-CD1 3.3Å; W60-I229 VanDerWaalsContact CE2-CD1 3.46Å; W60-I229 HydrophobicContact CE3-CD1 3.73Å; W60-I229 HydrophobicContact CG-CD1 3.57Å; W60-I229 HydrophobicContact CG-CG2 4.38Å; W60-I229 HydrophobicContact CH2-CD1 4.34Å; W60-I229 HydrophobicContact CZ2-CD1 3.98Å; W60-I229 HydrophobicContact CZ3-CD1 4.23Å; L63-I229 HydrophobicContact CB-CG2 3.78Å; L63-I229 HydrophobicContact CD1-CG2 4.2Å; L64-I229 HydrophobicContact CD1-CD1 4.17Å; L64-I229 HydrophobicContact CD1-CG1 4.32Å; L64-I229 HydrophobicContact CD1-CG2 4.39Å; L64-I229 HydrophobicContact CD2-CG1 4.3Å; L64-I229 HydrophobicContact CD2-CG2 4.13Å; L64-I229 HydrophobicContact CG-CG1 4.44Å; L64-I229 HydrophobicContact CG-CG2 3.85Å; F159-I229 HydrophobicContact CD2-CD1 4Å; F159-I229 HydrophobicContact CD2-CG1 3.72Å; F159-I229 HydrophobicContact CE2-CD1 4.33Å; F159-I229 HydrophobicContact CE2-CG1 3.94Å; W225-I229 HydrophobicContact CB-CD1 4.45Å; W225-I229 WeakPolarHBondContact O-CB 3.43Å; W225-I229 WeakPolarHBondContact O-CG1 3.31Å; W225-I229 PolarHBondContact O-N 2.98Å; I229-G231 PolarHBondContact O-N 3.5Å |
| 230 | S | 95.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 11.8 Ų | 11.8 | 1% | 0.014 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 6.7 | 171.1 | 59.2 | 0 | 0 | 0 | 0 | 114.3 | S43 Q47 D226 K227 V228 | S43-S230 PolarHBondContact OG-O 3.16Å; Q47-S230 WeakPolarHBondContact CG-OG 3.39Å; Q47-S230 PolarHBondContact NE2-O 3.31Å; D226-S230 WeakPolarHBondContact O-CB 3.3Å; D226-S230 PolarHBondContact O-N 3.28Å; D226-S230 PolarHBondContact O-OG 3.01Å; K227-S230 WeakPolarHBondContact CA-OG 3.25Å; K227-S230 PolarHBondContact O-OG 3.33Å; V228-S230 VanDerWaalsContact C-N 3.33Å; V228-S230 PolarHBondContact O-N 3.34Å |
| 231 | G | 94 | Very high | 97.5 | Very high | 20 Ų | 20 | 11.8 Ų | 11.8 | 21% | 0.206 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 105.6 | 14.9 | 161.8 | 0 | 0 | 0 | 0 | 0 | 117 | F167 K227 V228 I229 | F167-G231 WeakPolarHBondContact CE1-O 3.15Å; K227-G231 PolarHBondContact O-N 3.04Å; V228-G231 WeakPolarHBondContact O-CA 3.1Å; V228-G231 PolarHBondContact O-N 3.33Å; I229-G231 PolarHBondContact O-N 3.5Å |
| 232 | S | 94.8 | Very high | 97.5 | Very high | 15 Ų | 15 | 12.4 Ų | 12.4 | 11% | 0.105 | 6% | 0.063 | C | C | . | . | trans | -114.5 | 107.4 | 174.6 | -178.7 | 0 | 0 | 0 | 0 | 111.7 | K227 V228 K234 I235 W283 | K227-S232 PolarHBondContact O-N 2.86Å; V228-S232 WeakPolarHBondContact CA-O 3.49Å; S232-K234 VanDerWaalsContact C-N 3.32Å; S232-I235 WeakPolarHBondContact O-CG2 3.38Å; S232-W283 VanDerWaalsContact OG-CZ2 3.29Å; S232-W283 WeakPolarHBondContact OG-CZ2 2.85Å; S232-W283 PolarHBondContact OG-NE1 3.43Å | ||
| 233 | C | 95.4 | Very high | 97.5 | Very high | 7 Ų | 7 | 10.7 Ų | 10.7 | 5% | 0.047 | 6% | 0.055 | C | C | . | . | S | Bend | trans | -78.1 | -18.8 | 166 | 62.7 | 0 | 0 | 0 | 0 | 112.6 | F163 F167 I235 L236 | F163-C233 HydrophobicContact CE2-CB 4.46Å; F167-C233 HydrophobicContact CB-CB 4.08Å; F167-C233 HydrophobicContact CD1-CB 3.7Å; F167-C233 WeakPolarHBondContact CD1-SG 3.38Å; F167-C233 HydrophobicContact CD2-CB 3.77Å; F167-C233 HydrophobicContact CE1-CB 3.96Å; F167-C233 HydrophobicContact CE2-CB 4.03Å; F167-C233 HydrophobicContact CG-CB 3.58Å; F167-C233 HydrophobicContact CZ-CB 4.11Å; C233-I235 PolarHBondContact O-N 3.13Å; C233-L236 VanDerWaalsContact O-CB 3.32Å; C233-L236 WeakPolarHBondContact O-CB 3.47Å; C233-L236 WeakPolarHBondContact O-CG 3.32Å; C233-L236 PolarHBondContact O-N 3.27Å; C233-L236 VanDerWaalsContact O-N 3.09Å |
| 234 | K | 96.4 | Very high | 97.6 | Very high | 107 Ų | 107 | 8.7 Ų | 8.7 | 47% | 0.465 | 5% | 0.047 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -27 | 179.4 | -72.8 | -172.6 | 179.2 | -178.9 | 0 | 112.7 | S232 L236 V237 F238 | S232-K234 VanDerWaalsContact C-N 3.32Å; K234-L236 PolarHBondContact O-N 2.97Å; K234-L236 VanDerWaalsContact O-N 3.14Å; K234-V237 VanDerWaalsContact O-CB 3.29Å; K234-V237 WeakPolarHBondContact O-CB 3.48Å; K234-V237 PolarHBondContact O-N 3.4Å; K234-F238 VanDerWaalsContact O-CD2 3.25Å; K234-F238 WeakPolarHBondContact O-CD2 3.24Å |
| 235 | I | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -52.4 | -34.9 | 173.4 | -174.3 | 56 | 0 | 0 | 0 | 112.1 | V224 K227 V228 S232 C233 V237 F238 V239 I280 W283 | V224-I235 HydrophobicContact CG1-CG1 4.29Å; V224-I235 HydrophobicContact CG1-CG2 4.3Å; K227-I235 HydrophobicContact CB-CB 4.06Å; K227-I235 HydrophobicContact CB-CG1 3.99Å; K227-I235 HydrophobicContact CB-CG2 3.94Å; K227-I235 HydrophobicContact CG-CG1 4.12Å; V228-I235 HydrophobicContact CG2-CG2 3.73Å; S232-I235 WeakPolarHBondContact O-CG2 3.38Å; C233-I235 PolarHBondContact O-N 3.13Å; I235-V237 PolarHBondContact O-N 3.02Å; I235-F238 PolarHBondContact O-N 2.97Å; I235-V239 HydrophobicContact CD1-CG2 4.47Å; I235-V239 HydrophobicContact CG1-CG2 4.33Å; I235-V239 WeakPolarHBondContact O-CG2 3.25Å; I235-V239 PolarHBondContact O-N 3.13Å; I235-I280 HydrophobicContact CD1-CG1 3.95Å; I235-W283 HydrophobicContact CB-CD2 4.42Å; I235-W283 HydrophobicContact CD1-CB 3.77Å; I235-W283 HydrophobicContact CD1-CD2 3.94Å; I235-W283 HydrophobicContact CD1-CE3 3.9Å; I235-W283 HydrophobicContact CD1-CG 3.9Å |
| 236 | L | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.6 | -35 | 179.7 | -57.7 | 177.1 | 0 | 0 | 0 | 111.7 | F163 F208 C211 F212 V224 V228 C233 K234 V239 A240 | F163-L236 HydrophobicContact CE2-CD1 3.95Å; F163-L236 HydrophobicContact CZ-CD1 3.86Å; F208-L236 HydrophobicContact CD1-CB 3.86Å; F208-L236 HydrophobicContact CE1-CB 4.08Å; C211-L236 HydrophobicContact CB-CD1 4.49Å; C211-L236 HydrophobicContact CB-CD2 4.14Å; F212-L236 HydrophobicContact CD2-CD2 3.8Å; F212-L236 HydrophobicContact CE2-CB 3.97Å; F212-L236 HydrophobicContact CE2-CD2 3.79Å; F212-L236 HydrophobicContact CE2-CG 4.5Å; F212-L236 WeakPolarHBondContact CE2-O 3.3Å; F212-L236 WeakPolarHBondContact CZ-O 3.25Å; V224-L236 HydrophobicContact CG1-CD2 3.95Å; V228-L236 HydrophobicContact CG2-CD2 3.97Å; V228-L236 HydrophobicContact CG2-CG 4.29Å; C233-L236 VanDerWaalsContact O-CB 3.32Å; C233-L236 WeakPolarHBondContact O-CB 3.47Å; C233-L236 WeakPolarHBondContact O-CG 3.32Å; C233-L236 PolarHBondContact O-N 3.27Å; C233-L236 VanDerWaalsContact O-N 3.09Å; K234-L236 PolarHBondContact O-N 2.97Å; K234-L236 VanDerWaalsContact O-N 3.14Å; L236-V239 PolarHBondContact O-N 3.11Å; L236-A240 PolarHBondContact O-N 3.36Å |
| 237 | V | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.006 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.2 | -42.8 | 175.7 | 177 | 0 | 0 | 0 | 0 | 110.6 | L174 L178 Y181 F208 K234 I235 A240 L241 | L174-V237 HydrophobicContact CB-CG2 3.86Å; L174-V237 HydrophobicContact CD2-CG2 3.76Å; L174-V237 HydrophobicContact CG-CG2 4.26Å; L178-V237 HydrophobicContact CB-CG1 4Å; L178-V237 HydrophobicContact CD1-CG1 4.29Å; Y181-V237 HydrophobicContact CD2-CG1 3.86Å; Y181-V237 HydrophobicContact CE2-CG1 4.44Å; F208-V237 HydrophobicContact CE1-CG2 4.33Å; F208-V237 HydrophobicContact CZ-CG2 4.38Å; K234-V237 VanDerWaalsContact O-CB 3.29Å; K234-V237 WeakPolarHBondContact O-CB 3.48Å; K234-V237 PolarHBondContact O-N 3.4Å; I235-V237 PolarHBondContact O-N 3.02Å; V237-A240 PolarHBondContact O-N 3.42Å; V237-L241 VanDerWaalsContact O-CB 3.3Å; V237-L241 WeakPolarHBondContact O-CB 3.49Å; V237-L241 PolarHBondContact O-N 2.83Å |
| 238 | F | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -73.4 | -30.7 | -179.6 | -67.1 | -80.4 | 0 | 0 | 0 | 112.7 | Y181 K234 I235 L241 E242 A279 L282 W283 Y286 | Y181-F238 HydrophobicContact CD1-CE1 4.1Å; Y181-F238 HydrophobicContact CD1-CZ 4.17Å; Y181-F238 HydrophobicContact CD2-CE1 4.12Å; Y181-F238 AromaticContact CD2-CZ 3.88Å; Y181-F238 HydrophobicContact CD2-CZ 3.88Å; Y181-F238 HydrophobicContact CE1-CE1 4.27Å; Y181-F238 AromaticContact CE1-CZ 3.92Å; Y181-F238 HydrophobicContact CE1-CZ 3.92Å; Y181-F238 HydrophobicContact CE2-CE1 4.28Å; Y181-F238 HydrophobicContact CE2-CE2 4.12Å; Y181-F238 AromaticContact CE2-CZ 3.59Å; Y181-F238 HydrophobicContact CE2-CZ 3.59Å; Y181-F238 HydrophobicContact CG-CE1 4.04Å; Y181-F238 HydrophobicContact CG-CZ 4.17Å; Y181-F238 AromaticContact CZ-CZ 3.61Å; K234-F238 VanDerWaalsContact O-CD2 3.25Å; K234-F238 WeakPolarHBondContact O-CD2 3.24Å; I235-F238 PolarHBondContact O-N 2.97Å; F238-L241 HydrophobicContact CD1-CD2 4.16Å; F238-L241 PolarHBondContact O-N 3.46Å; F238-E242 WeakPolarHBondContact O-CB 3.37Å; F238-E242 PolarHBondContact O-N 3.23Å; F238-A279 WeakPolarHBondContact CB-O 3.3Å; F238-A279 WeakPolarHBondContact O-CB 3.48Å; F238-L282 HydrophobicContact CD1-CB 3.92Å; F238-W283 HydrophobicContact CB-CB 3.9Å; F238-W283 HydrophobicContact CD1-CB 4.35Å; F238-W283 HydrophobicContact CD2-CB 3.51Å; F238-W283 AromaticContact CD2-CD1 3.49Å; F238-W283 VanDerWaalsContact CD2-CD1 3.49Å; F238-W283 AromaticContact CD2-CG 3.83Å; F238-W283 HydrophobicContact CD2-CG 3.83Å; F238-W283 HydrophobicContact CE2-CB 4.15Å; F238-W283 AromaticContact CE2-CD1 3.54Å; F238-W283 HydrophobicContact CE2-CG 4.24Å; F238-W283 HydrophobicContact CG-CB 3.64Å; F238-W283 HydrophobicContact CG-CG 4.45Å; F238-Y286 HydrophobicContact CD1-CD2 4.5Å; F238-Y286 AromaticContact CE1-CD2 3.57Å; F238-Y286 HydrophobicContact CE1-CD2 3.57Å; F238-Y286 HydrophobicContact CE1-CE2 4.42Å; F238-Y286 AromaticContact CE1-CG 3.97Å; F238-Y286 HydrophobicContact CE1-CG 3.97Å; F238-Y286 HydrophobicContact CZ-CD2 4.25Å; F238-Y286 HydrophobicContact CZ-CG 4.19Å |
| 239 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.8 | -46.7 | 170.6 | 177.1 | 0 | 0 | 0 | 0 | 110.4 | F212 L216 V224 I235 L236 L241 E242 I243 A279 | F212-V239 HydrophobicContact CD1-CG1 4.03Å; F212-V239 HydrophobicContact CD2-CB 4.42Å; F212-V239 HydrophobicContact CD2-CG1 4.03Å; F212-V239 HydrophobicContact CE1-CB 4.38Å; F212-V239 HydrophobicContact CE1-CG1 3.7Å; F212-V239 HydrophobicContact CE2-CB 3.75Å; F212-V239 HydrophobicContact CE2-CG1 3.72Å; F212-V239 HydrophobicContact CG-CG1 4.19Å; F212-V239 HydrophobicContact CZ-CB 3.73Å; F212-V239 HydrophobicContact CZ-CG1 3.55Å; L216-V239 HydrophobicContact CD1-CG1 3.9Å; V224-V239 HydrophobicContact CG1-CG2 4.08Å; V224-V239 HydrophobicContact CG2-CG2 3.86Å; I235-V239 HydrophobicContact CD1-CG2 4.47Å; I235-V239 HydrophobicContact CG1-CG2 4.33Å; I235-V239 WeakPolarHBondContact O-CG2 3.25Å; I235-V239 PolarHBondContact O-N 3.13Å; L236-V239 PolarHBondContact O-N 3.11Å; V239-L241 VanDerWaalsContact C-N 3.33Å; V239-L241 PolarHBondContact O-N 2.91Å; V239-E242 PolarHBondContact O-N 3.29Å; V239-I243 HydrophobicContact CG1-CD1 4.09Å; V239-I243 VanDerWaalsContact O-CG1 3.29Å; V239-I243 WeakPolarHBondContact O-CG1 3.44Å; V239-I243 PolarHBondContact O-N 3.41Å; V239-A279 HydrophobicContact CB-CB 4.37Å; V239-A279 HydrophobicContact CG2-CB 3.87Å |
| 240 | A | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.5 | -43.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L178 W207 F208 F212 L236 V237 I243 L244 | L178-A240 HydrophobicContact CD1-CB 3.92Å; L178-A240 HydrophobicContact CD2-CB 4.01Å; W207-A240 HydrophobicContact CD2-CB 3.89Å; W207-A240 HydrophobicContact CE3-CB 3.64Å; W207-A240 HydrophobicContact CG-CB 4.37Å; W207-A240 HydrophobicContact CZ3-CB 4.03Å; F208-A240 HydrophobicContact CE1-CB 4.33Å; F208-A240 HydrophobicContact CZ-CB 4.36Å; F212-A240 HydrophobicContact CZ-CB 3.99Å; L236-A240 PolarHBondContact O-N 3.36Å; V237-A240 PolarHBondContact O-N 3.42Å; A240-I243 PolarHBondContact O-N 3.07Å; A240-L244 WeakPolarHBondContact O-CG 3.45Å; A240-L244 PolarHBondContact O-N 3Å; A240-L244 VanDerWaalsContact O-N 3.09Å |
| 241 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.8 | -51.2 | 176.7 | 177.9 | 62.5 | 0 | 0 | 0 | 111.2 | L178 L182 E185 V237 F238 V239 I243 L244 L245 L282 | L178-L241 HydrophobicContact CD1-CB 3.83Å; L182-L241 HydrophobicContact CB-CD1 3.83Å; L182-L241 HydrophobicContact CD1-CD1 3.69Å; L182-L241 HydrophobicContact CG-CD1 4.37Å; E185-L241 HydrophobicContact CG-CD2 4.21Å; V237-L241 VanDerWaalsContact O-CB 3.3Å; V237-L241 WeakPolarHBondContact O-CB 3.49Å; V237-L241 PolarHBondContact O-N 2.83Å; F238-L241 HydrophobicContact CD1-CD2 4.16Å; F238-L241 PolarHBondContact O-N 3.46Å; V239-L241 VanDerWaalsContact C-N 3.33Å; V239-L241 PolarHBondContact O-N 2.91Å; L241-I243 VanDerWaalsContact C-N 3.3Å; L241-I243 PolarHBondContact O-N 3.09Å; L241-L244 WeakPolarHBondContact O-CB 3.41Å; L241-L244 PolarHBondContact O-N 3.14Å; L241-L245 HydrophobicContact CD1-CD1 4.26Å; L241-L245 HydrophobicContact CD1-CG 4.25Å; L241-L245 HydrophobicContact CG-CD1 4.03Å; L241-L245 HydrophobicContact CG-CG 4.38Å; L241-L245 WeakPolarHBondContact O-CG 3.49Å; L241-L245 PolarHBondContact O-N 3.03Å; L241-L282 HydrophobicContact CD2-CD1 4.43Å |
| 242 | E | 98.6 | Very high | 97.7 | Very high | 13 Ų | 13 | 29.1 Ų | 29.1 | 6% | 0.061 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.5 | -32.5 | -177.4 | -174.9 | 56.2 | -150.4 | 0 | 0 | 112.4 | F238 V239 L245 S246 I275 K278 A279 L282 | F238-E242 WeakPolarHBondContact O-CB 3.37Å; F238-E242 PolarHBondContact O-N 3.23Å; V239-E242 PolarHBondContact O-N 3.29Å; E242-L245 PolarHBondContact O-N 3.38Å; E242-S246 WeakPolarHBondContact O-CB 3.33Å; E242-S246 PolarHBondContact O-N 2.9Å; E242-S246 PolarHBondContact O-OG 3.07Å; E242-S246 PolarHBondContact OE1-OG 3.19Å; E242-S246 VanDerWaalsContact OE1-OG 3.14Å; E242-I275 HydrophobicContact CB-CG2 4.25Å; E242-I275 HydrophobicContact CG-CB 4.39Å; E242-I275 HydrophobicContact CG-CG2 3.96Å; E242-I275 WeakPolarHBondContact CG-O 3.41Å; E242-K278 HydrophobicContact CG-CB 3.82Å; E242-K278 WeakPolarHBondContact OE1-CD 3.5Å; E242-K278 IonicContact OE1-NZ 3.28Å; E242-A279 HydrophobicContact CB-CB 3.88Å; E242-A279 HydrophobicContact CG-CB 4.38Å; E242-L282 VanDerWaalsContact OE2-CD1 3.24Å; E242-L282 WeakPolarHBondContact OE2-CD1 3.31Å |
| 243 | I | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.2 | -47.6 | 169.9 | -70.4 | 166.1 | 0 | 0 | 0 | 110.1 | F212 V239 A240 L241 L245 S246 Y247 L264 I267 I275 | F212-I243 HydrophobicContact CD1-CD1 4.13Å; F212-I243 HydrophobicContact CE1-CD1 3.7Å; V239-I243 HydrophobicContact CG1-CD1 4.09Å; V239-I243 VanDerWaalsContact O-CG1 3.29Å; V239-I243 WeakPolarHBondContact O-CG1 3.44Å; V239-I243 PolarHBondContact O-N 3.41Å; A240-I243 PolarHBondContact O-N 3.07Å; L241-I243 VanDerWaalsContact C-N 3.3Å; L241-I243 PolarHBondContact O-N 3.09Å; I243-L245 VanDerWaalsContact C-N 3.35Å; I243-L245 PolarHBondContact O-N 3.41Å; I243-S246 PolarHBondContact O-N 3.36Å; I243-Y247 HydrophobicContact CG2-CD2 4.06Å; I243-Y247 HydrophobicContact CG2-CE2 4.37Å; I243-Y247 VanDerWaalsContact O-CD2 3.25Å; I243-Y247 WeakPolarHBondContact O-CD2 3.24Å; I243-Y247 PolarHBondContact O-N 3.28Å; I243-Y247 VanDerWaalsContact O-N 3.13Å; I243-L264 HydrophobicContact CG2-CD2 3.89Å; I243-I267 HydrophobicContact CD1-CD1 4.07Å; I243-I267 HydrophobicContact CG1-CD1 4.24Å; I243-I267 HydrophobicContact CG2-CD1 4.39Å; I243-I267 HydrophobicContact CG2-CG2 4.14Å; I243-I275 HydrophobicContact CG1-CG2 3.75Å |
| 244 | L | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.9 | -42.2 | 178.3 | -67.8 | 173.3 | 0 | 0 | 0 | 111.9 | L178 L182 L189 L193 W207 A240 L241 K248 L251 L264 | L178-L244 HydrophobicContact CD1-CD1 4.26Å; L178-L244 HydrophobicContact CD2-CD1 4.2Å; L178-L244 HydrophobicContact CG-CD1 4.46Å; L182-L244 HydrophobicContact CD2-CD1 3.99Å; L189-L244 HydrophobicContact CD2-CB 4.07Å; L189-L244 VanDerWaalsContact CD2-O 3.31Å; L189-L244 WeakPolarHBondContact CD2-O 3.35Å; L193-L244 HydrophobicContact CD1-CD2 4.32Å; W207-L244 HydrophobicContact CH2-CD2 4.37Å; A240-L244 WeakPolarHBondContact O-CG 3.45Å; A240-L244 PolarHBondContact O-N 3Å; A240-L244 VanDerWaalsContact O-N 3.09Å; L241-L244 WeakPolarHBondContact O-CB 3.41Å; L241-L244 PolarHBondContact O-N 3.14Å; L244-K248 WeakPolarHBondContact O-CA 3.19Å; L244-K248 PolarHBondContact O-N 3.07Å; L244-L251 HydrophobicContact CB-CD1 4.42Å; L244-L251 HydrophobicContact CD2-CD1 3.65Å; L244-L264 HydrophobicContact CD2-CD1 3.89Å; L244-L264 HydrophobicContact CD2-CD2 4.1Å |
| 245 | L | 98.2 | Very high | 97.7 | Very high | 39 Ų | 39 | 33.9 Ų | 33.9 | 20% | 0.204 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.7 | -45.9 | 178.2 | -64.8 | 178 | 0 | 0 | 0 | 111.7 | L182 E185 E186 L241 E242 I243 Y247 K248 L282 | L182-L245 HydrophobicContact CD1-CD2 4.23Å; E185-L245 HydrophobicContact CB-CD1 4.08Å; E185-L245 HydrophobicContact CB-CD2 4.26Å; E185-L245 HydrophobicContact CG-CD1 4.47Å; E186-L245 HydrophobicContact CB-CD2 3.5Å; E186-L245 HydrophobicContact CG-CD2 4.38Å; L241-L245 HydrophobicContact CD1-CD1 4.26Å; L241-L245 HydrophobicContact CD1-CG 4.25Å; L241-L245 HydrophobicContact CG-CD1 4.03Å; L241-L245 HydrophobicContact CG-CG 4.38Å; L241-L245 WeakPolarHBondContact O-CG 3.49Å; L241-L245 PolarHBondContact O-N 3.03Å; E242-L245 PolarHBondContact O-N 3.38Å; I243-L245 VanDerWaalsContact C-N 3.35Å; I243-L245 PolarHBondContact O-N 3.41Å; L245-Y247 PolarHBondContact O-N 2.8Å; L245-K248 WeakPolarHBondContact O-CB 3.09Å; L245-K248 PolarHBondContact O-N 3.22Å; L245-L282 HydrophobicContact CD1-CD1 4.2Å |
| 246 | S | 97.7 | Very high | 97.6 | Very high | 50 Ų | 50 | 41.3 Ų | 41.3 | 35% | 0.35 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.5 | -32.8 | -179.4 | -74.1 | 0 | 0 | 0 | 0 | 112.8 | E242 I243 | E242-S246 WeakPolarHBondContact O-CB 3.33Å; E242-S246 PolarHBondContact O-N 2.9Å; E242-S246 PolarHBondContact O-OG 3.07Å; E242-S246 PolarHBondContact OE1-OG 3.19Å; E242-S246 VanDerWaalsContact OE1-OG 3.14Å; I243-S246 PolarHBondContact O-N 3.36Å |
| 247 | Y | 97.6 | Very high | 97.5 | Very high | 18 Ų | 18 | 42.2 Ų | 42.2 | 7% | 0.071 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 15.3 | 179.5 | -59.7 | -64.9 | 0 | 0 | 0 | 114.1 | I243 L245 I249 I250 L251 F263 I267 P268 I275 | I243-Y247 HydrophobicContact CG2-CD2 4.06Å; I243-Y247 HydrophobicContact CG2-CE2 4.37Å; I243-Y247 VanDerWaalsContact O-CD2 3.25Å; I243-Y247 WeakPolarHBondContact O-CD2 3.24Å; I243-Y247 PolarHBondContact O-N 3.28Å; I243-Y247 VanDerWaalsContact O-N 3.13Å; L245-Y247 PolarHBondContact O-N 2.8Å; Y247-I249 VanDerWaalsContact C-N 3.27Å; Y247-I249 PolarHBondContact O-N 2.97Å; Y247-I249 VanDerWaalsContact O-N 3.11Å; Y247-I250 HydrophobicContact CD1-CD1 3.96Å; Y247-I250 WeakPolarHBondContact O-CB 3.39Å; Y247-I250 PolarHBondContact O-N 2.72Å; Y247-L251 WeakPolarHBondContact O-CG 3.43Å; Y247-L251 PolarHBondContact O-N 3.04Å; Y247-F263 HydrophobicContact CD1-CE1 4.12Å; Y247-F263 AromaticContact CD1-CZ 3.67Å; Y247-F263 HydrophobicContact CD1-CZ 3.67Å; Y247-F263 AromaticContact CD2-CE1 3.93Å; Y247-F263 HydrophobicContact CD2-CE1 3.93Å; Y247-F263 HydrophobicContact CD2-CZ 4.2Å; Y247-F263 HydrophobicContact CE1-CZ 4.19Å; Y247-F263 AromaticContact CG-CE1 3.61Å; Y247-F263 HydrophobicContact CG-CE1 3.61Å; Y247-F263 AromaticContact CG-CZ 3.67Å; Y247-F263 HydrophobicContact CG-CZ 3.67Å; Y247-I267 HydrophobicContact CD2-CG2 4.43Å; Y247-I267 HydrophobicContact CE2-CB 4.05Å; Y247-I267 HydrophobicContact CE2-CG2 4.19Å; Y247-P268 HydrophobicContact CE1-CG 3.99Å; Y247-P268 PolarHBondContact OH-O 3.05Å; Y247-P268 VanDerWaalsContact OH-O 3.12Å; Y247-I275 HydrophobicContact CE2-CD1 3.9Å |
| 248 | K | 97.4 | Very high | 97.4 | Very high | 59 Ų | 59 | 46.6 Ų | 46.6 | 26% | 0.257 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -44.9 | -49.4 | -178.4 | 175.2 | -169 | 179 | -178.3 | 0 | 113.1 | E186 L189 L244 L245 I250 L251 M252 | E186-K248 HydrophobicContact CG-CD 3.88Å; E186-K248 VanDerWaalsContact OE1-CE 3.23Å; E186-K248 WeakPolarHBondContact OE1-CE 3.38Å; E186-K248 IonicContact OE1-NZ 2.8Å; E186-K248 PolarHBondContact OE1-NZ 3.05Å; E186-K248 WeakPolarHBondContact OE2-CE 3.28Å; E186-K248 IonicContact OE2-NZ 2.72Å; E186-K248 PolarHBondContact OE2-NZ 3.42Å; L189-K248 HydrophobicContact CB-CG 4.4Å; L189-K248 HydrophobicContact CD1-CG 4.42Å; L189-K248 HydrophobicContact CD2-CB 4.13Å; L189-K248 HydrophobicContact CD2-CG 4.17Å; L244-K248 WeakPolarHBondContact O-CA 3.19Å; L244-K248 PolarHBondContact O-N 3.07Å; L245-K248 WeakPolarHBondContact O-CB 3.09Å; L245-K248 PolarHBondContact O-N 3.22Å; K248-I250 VanDerWaalsContact C-N 3.3Å; K248-I250 PolarHBondContact O-N 3.47Å; K248-L251 PolarHBondContact O-N 3.48Å; K248-M252 HydrophobicContact CG-CG 4.11Å; K248-M252 WeakPolarHBondContact O-CB 3.42Å; K248-M252 WeakPolarHBondContact O-CG 3.45Å; K248-M252 PolarHBondContact O-N 3.19Å |
| 249 | I | 97.4 | Very high | 97.3 | Very high | 154 Ų | 154 | 47.9 Ų | 47.9 | 79% | 0.79 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -60.7 | -42.2 | -176.4 | -61.1 | 174.9 | 0 | 0 | 0 | 110.9 | Y247 G253 | Y247-I249 VanDerWaalsContact C-N 3.27Å; Y247-I249 PolarHBondContact O-N 2.97Å; Y247-I249 VanDerWaalsContact O-N 3.11Å; I249-G253 PolarHBondContact O-N 3.39Å |
| 250 | I | 96.9 | Very high | 97.2 | Very high | 74 Ų | 74 | 47.9 Ų | 47.9 | 38% | 0.379 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67 | -47 | 178.3 | -58.3 | 179 | 0 | 0 | 0 | 110 | Y247 K248 M252 G253 H254 F263 | Y247-I250 HydrophobicContact CD1-CD1 3.96Å; Y247-I250 WeakPolarHBondContact O-CB 3.39Å; Y247-I250 PolarHBondContact O-N 2.72Å; K248-I250 VanDerWaalsContact C-N 3.3Å; K248-I250 PolarHBondContact O-N 3.47Å; I250-M252 VanDerWaalsContact C-N 3.35Å; I250-M252 PolarHBondContact O-N 3.31Å; I250-G253 PolarHBondContact O-N 3.46Å; I250-H254 PolarHBondContact O-ND1 3.02Å; I250-F263 HydrophobicContact CB-CZ 4.46Å; I250-F263 HydrophobicContact CD1-CE2 4.03Å; I250-F263 HydrophobicContact CD1-CZ 3.85Å; I250-F263 HydrophobicContact CG2-CD2 4.08Å; I250-F263 HydrophobicContact CG2-CE1 4.45Å; I250-F263 HydrophobicContact CG2-CE2 3.88Å; I250-F263 HydrophobicContact CG2-CG 4.45Å; I250-F263 HydrophobicContact CG2-CZ 4.08Å |
| 251 | L | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.8 | -39.9 | -179 | -63.1 | 177 | 0 | 0 | 0 | 112.3 | L189 H192 L244 Y247 K248 G253 H254 V260 F263 L264 | L189-L251 HydrophobicContact CD1-CB 3.98Å; L189-L251 HydrophobicContact CD1-CD1 4.41Å; L189-L251 HydrophobicContact CD2-CD1 4.43Å; H192-L251 PolarHBondContact NE2-O 3.27Å; H192-L251 VanDerWaalsContact NE2-O 3.13Å; L244-L251 HydrophobicContact CB-CD1 4.42Å; L244-L251 HydrophobicContact CD2-CD1 3.65Å; Y247-L251 WeakPolarHBondContact O-CG 3.43Å; Y247-L251 PolarHBondContact O-N 3.04Å; K248-L251 PolarHBondContact O-N 3.48Å; L251-G253 PolarHBondContact O-N 2.84Å; L251-H254 PolarHBondContact O-N 3.33Å; L251-H254 VanDerWaalsContact O-N 3.16Å; L251-V260 HydrophobicContact CD2-CG1 4.16Å; L251-F263 HydrophobicContact CD2-CD1 3.81Å; L251-F263 HydrophobicContact CD2-CE1 4.32Å; L251-L264 HydrophobicContact CD1-CD2 4.4Å; L251-L264 HydrophobicContact CD2-CD1 4.42Å; L251-L264 HydrophobicContact CD2-CD2 4.13Å; L251-L264 HydrophobicContact CD2-CG 4.13Å |
| 252 | M | 96.9 | Very high | 97.1 | Very high | 73 Ų | 73 | 56.9 Ų | 56.9 | 36% | 0.36 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.5 | -24.6 | 174.9 | -69.1 | -65.8 | -59.1 | 0 | 0 | 112.5 | L189 H192 K248 I250 H254 | L189-M252 HydrophobicContact CD1-CG 4.17Å; L189-M252 HydrophobicContact CD1-SD 3.9Å; H192-M252 HydrophobicContact CB-CE 3.82Å; H192-M252 HydrophobicContact CB-SD 3.41Å; H192-M252 WeakPolarHBondContact CB-SD 3.12Å; H192-M252 PolarHBondContact CE1-O 2.82Å; H192-M252 VanDerWaalsContact CG-SD 3.56Å; H192-M252 PolarHBondContact NE2-O 3.2Å; K248-M252 HydrophobicContact CG-CG 4.11Å; K248-M252 WeakPolarHBondContact O-CB 3.42Å; K248-M252 WeakPolarHBondContact O-CG 3.45Å; K248-M252 PolarHBondContact O-N 3.19Å; I250-M252 VanDerWaalsContact C-N 3.35Å; I250-M252 PolarHBondContact O-N 3.31Å; M252-H254 VanDerWaalsContact C-N 3.31Å |
| 253 | G | 96.8 | Very high | 97 | Very high | 55 Ų | 55 | 57.9 Ų | 57.9 | 57% | 0.567 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -12.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | I249 I250 L251 | I249-G253 PolarHBondContact O-N 3.39Å; I250-G253 PolarHBondContact O-N 3.46Å; L251-G253 PolarHBondContact O-N 2.84Å |
| 254 | H | 96.2 | Very high | 97 | Very high | 54 Ų | 54 | 57.9 Ų | 57.9 | 25% | 0.25 | 31% | 0.306 | C | S | . | . | trans | -90.4 | 127.6 | 179.9 | -69.4 | 14.4 | 0 | 0 | 0 | 110.9 | H192 I250 L251 M252 G259 V260 | H192-H254 PolarHBondContact CE1-O 2.96Å; H192-H254 PolarHBondContact NE2-O 2.98Å; I250-H254 PolarHBondContact O-ND1 3.02Å; L251-H254 PolarHBondContact O-N 3.33Å; L251-H254 VanDerWaalsContact O-N 3.16Å; M252-H254 VanDerWaalsContact C-N 3.31Å; H254-G259 PolarHBondContact CD2-O 3.34Å; H254-V260 HydrophobicContact CB-CG2 3.71Å | ||
| 255 | T | 94.5 | Very high | 96.8 | Very high | 120 Ų | 120 | 60.1 Ų | 60.1 | 74% | 0.736 | 32% | 0.321 | S | S | * | . | trans | -100.3 | -3.6 | -178.5 | 55.9 | 0 | 0 | 0 | 0 | 113.6 | V196 | V196-T255 VanDerWaalsContact CG1-C 3.49Å; V196-T255 WeakPolarHBondContact CG1-O 3.31Å | ||
| 256 | R | 95.1 | Very high | 96.7 | Very high | 156 Ų | 156 | 64 Ų | 64 | 59% | 0.589 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -129.9 | 143.5 | -177.7 | -72.8 | -173.8 | 63.4 | 156.5 | 6.3 | 111.1 | E258 G259 | R256-E258 VanDerWaalsContact C-N 3.31Å; R256-E258 WeakPolarHBondContact CB-OE2 3.4Å; R256-E258 IonicContact CZ-OE2 2.98Å; R256-E258 IonicContact NE-OE2 3.94Å; R256-E258 PolarHBondContact NE-OE2 3.05Å; R256-E258 IonicContact NH2-OE1 3.9Å; R256-E258 PolarHBondContact NH2-OE1 3.01Å; R256-E258 IonicContact NH2-OE2 3.53Å; R256-E258 PolarHBondContact NH2-OE2 3Å; R256-E258 PolarHBondContact O-N 3.33Å; R256-G259 PolarHBondContact O-N 3.38Å |
| 257 | P | 96.2 | Very high | 96.7 | Very high | 19 Ų | 19 | 61.9 Ų | 61.9 | 12% | 0.123 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.9 | -35.5 | -176.9 | 26.8 | -33.8 | 0 | 0 | 0 | 112.1 | V196 A198 G259 V260 V261 | V196-P257 WeakPolarHBondContact O-CD 3.32Å; A198-P257 HydrophobicContact CB-CB 4.02Å; P257-G259 VanDerWaalsContact C-N 3.27Å; P257-G259 PolarHBondContact O-N 3.16Å; P257-V260 WeakPolarHBondContact O-CB 3.48Å; P257-V260 PolarHBondContact O-N 3.18Å; P257-V260 VanDerWaalsContact O-N 3.1Å; P257-V261 WeakPolarHBondContact O-CG2 2.96Å; P257-V261 PolarHBondContact O-N 3.31Å |
| 258 | E | 96.8 | Very high | 96.6 | Very high | 93 Ų | 93 | 63.6 Ų | 63.6 | 44% | 0.435 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.6 | -35.4 | -177.8 | -53.5 | 86.3 | -179.5 | 0 | 0 | 112.1 | R256 K262 | R256-E258 VanDerWaalsContact C-N 3.31Å; R256-E258 WeakPolarHBondContact CB-OE2 3.4Å; R256-E258 IonicContact CZ-OE2 2.98Å; R256-E258 IonicContact NE-OE2 3.94Å; R256-E258 PolarHBondContact NE-OE2 3.05Å; R256-E258 IonicContact NH2-OE1 3.9Å; R256-E258 PolarHBondContact NH2-OE1 3.01Å; R256-E258 IonicContact NH2-OE2 3.53Å; R256-E258 PolarHBondContact NH2-OE2 3Å; R256-E258 PolarHBondContact O-N 3.33Å; E258-K262 WeakPolarHBondContact O-CB 3.41Å; E258-K262 PolarHBondContact O-N 3.3Å |
| 259 | G | 96.6 | Very high | 96.4 | Very high | 27 Ų | 27 | 65.1 Ų | 65.1 | 28% | 0.278 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | H254 R256 P257 K262 F263 | H254-G259 PolarHBondContact CD2-O 3.34Å; R256-G259 PolarHBondContact O-N 3.38Å; P257-G259 VanDerWaalsContact C-N 3.27Å; P257-G259 PolarHBondContact O-N 3.16Å; G259-K262 PolarHBondContact O-N 2.88Å; G259-F263 WeakPolarHBondContact O-CB 3.49Å; G259-F263 PolarHBondContact O-N 3.5Å |
| 260 | V | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.3 | -49.5 | -180 | 169.6 | 0 | 0 | 0 | 0 | 110.3 | L193 A198 L202 L251 H254 P257 F263 L264 | L193-V260 HydrophobicContact CD2-CG1 3.9Å; L193-V260 HydrophobicContact CD2-CG2 4.43Å; A198-V260 HydrophobicContact CB-CB 4Å; A198-V260 HydrophobicContact CB-CG1 3.96Å; A198-V260 HydrophobicContact CB-CG2 4.15Å; L202-V260 HydrophobicContact CD2-CG1 4.09Å; L251-V260 HydrophobicContact CD2-CG1 4.16Å; H254-V260 HydrophobicContact CB-CG2 3.71Å; P257-V260 WeakPolarHBondContact O-CB 3.48Å; P257-V260 PolarHBondContact O-N 3.18Å; P257-V260 VanDerWaalsContact O-N 3.1Å; V260-F263 PolarHBondContact O-N 2.84Å; V260-L264 HydrophobicContact CG1-CD1 3.76Å; V260-L264 HydrophobicContact CG1-CG 4.49Å; V260-L264 WeakPolarHBondContact O-CB 3.13Å; V260-L264 WeakPolarHBondContact O-CG 3.31Å; V260-L264 PolarHBondContact O-N 3.42Å |
| 261 | V | 96.9 | Very high | 95.7 | Very high | 31 Ų | 31 | 67.1 Ų | 67.1 | 19% | 0.188 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.5 | -45.9 | -179.1 | 178.8 | 0 | 0 | 0 | 0 | 110.9 | Q201 P257 F263 L264 C265 | Q201-V261 HydrophobicContact CB-CG2 3.83Å; Q201-V261 WeakPolarHBondContact O-CG2 3.42Å; P257-V261 WeakPolarHBondContact O-CG2 2.96Å; P257-V261 PolarHBondContact O-N 3.31Å; V261-F263 VanDerWaalsContact C-N 3.28Å; V261-F263 PolarHBondContact O-N 3.26Å; V261-L264 PolarHBondContact O-N 3.16Å; V261-C265 PolarHBondContact O-N 2.86Å; V261-C265 PolarHBondContact O-SG 3.5Å |
| 262 | K | 96.9 | Very high | 95.6 | Very high | 158 Ų | 158 | 67.4 Ų | 67.4 | 69% | 0.687 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -58 | -42.1 | 178.6 | -177.3 | 177.9 | 178.9 | -179.6 | 0 | 112.1 | E258 G259 N266 | E258-K262 WeakPolarHBondContact O-CB 3.41Å; E258-K262 PolarHBondContact O-N 3.3Å; G259-K262 PolarHBondContact O-N 2.88Å; K262-N266 PolarHBondContact O-N 3.49Å; K262-N266 PolarHBondContact O-ND2 3.49Å |
| 263 | F | 97.7 | Very high | 95.5 | Very high | 35 Ų | 35 | 67.7 Ų | 67.7 | 15% | 0.154 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65 | -48.5 | 175.8 | 177.1 | -93.5 | 0 | 0 | 0 | 111.5 | Y247 I250 L251 G259 V260 V261 C265 N266 I267 | Y247-F263 HydrophobicContact CD1-CE1 4.12Å; Y247-F263 AromaticContact CD1-CZ 3.67Å; Y247-F263 HydrophobicContact CD1-CZ 3.67Å; Y247-F263 AromaticContact CD2-CE1 3.93Å; Y247-F263 HydrophobicContact CD2-CE1 3.93Å; Y247-F263 HydrophobicContact CD2-CZ 4.2Å; Y247-F263 HydrophobicContact CE1-CZ 4.19Å; Y247-F263 AromaticContact CG-CE1 3.61Å; Y247-F263 HydrophobicContact CG-CE1 3.61Å; Y247-F263 AromaticContact CG-CZ 3.67Å; Y247-F263 HydrophobicContact CG-CZ 3.67Å; I250-F263 HydrophobicContact CB-CZ 4.46Å; I250-F263 HydrophobicContact CD1-CE2 4.03Å; I250-F263 HydrophobicContact CD1-CZ 3.85Å; I250-F263 HydrophobicContact CG2-CD2 4.08Å; I250-F263 HydrophobicContact CG2-CE1 4.45Å; I250-F263 HydrophobicContact CG2-CE2 3.88Å; I250-F263 HydrophobicContact CG2-CG 4.45Å; I250-F263 HydrophobicContact CG2-CZ 4.08Å; L251-F263 HydrophobicContact CD2-CD1 3.81Å; L251-F263 HydrophobicContact CD2-CE1 4.32Å; G259-F263 WeakPolarHBondContact O-CB 3.49Å; G259-F263 PolarHBondContact O-N 3.5Å; V260-F263 PolarHBondContact O-N 2.84Å; V261-F263 VanDerWaalsContact C-N 3.28Å; V261-F263 PolarHBondContact O-N 3.26Å; F263-C265 VanDerWaalsContact C-N 3.28Å; F263-C265 PolarHBondContact O-N 2.88Å; F263-N266 CarbonylContact O-C 3.13Å; F263-N266 PolarHBondContact O-N 2.9Å; F263-I267 HydrophobicContact CE1-CG2 4.34Å; F263-I267 PolarHBondContact O-N 3.43Å |
| 264 | L | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.2 | -24.8 | -177.6 | -69.9 | 173.1 | 0 | 0 | 0 | 114 | L202 P203 W207 I243 L244 L251 V260 V261 N266 I267 | L202-L264 HydrophobicContact CD2-CD1 3.53Å; P203-L264 HydrophobicContact CG-CB 3.96Å; W207-L264 HydrophobicContact CH2-CD1 4.08Å; W207-L264 HydrophobicContact CZ2-CB 4.26Å; W207-L264 HydrophobicContact CZ2-CD1 4.09Å; W207-L264 HydrophobicContact CZ2-CD2 4.38Å; W207-L264 HydrophobicContact CZ2-CG 4.49Å; I243-L264 HydrophobicContact CG2-CD2 3.89Å; L244-L264 HydrophobicContact CD2-CD1 3.89Å; L244-L264 HydrophobicContact CD2-CD2 4.1Å; L251-L264 HydrophobicContact CD1-CD2 4.4Å; L251-L264 HydrophobicContact CD2-CD1 4.42Å; L251-L264 HydrophobicContact CD2-CD2 4.13Å; L251-L264 HydrophobicContact CD2-CG 4.13Å; V260-L264 HydrophobicContact CG1-CD1 3.76Å; V260-L264 HydrophobicContact CG1-CG 4.49Å; V260-L264 WeakPolarHBondContact O-CB 3.13Å; V260-L264 WeakPolarHBondContact O-CG 3.31Å; V260-L264 PolarHBondContact O-N 3.42Å; V261-L264 PolarHBondContact O-N 3.16Å; L264-N266 VanDerWaalsContact C-N 3.27Å; L264-I267 HydrophobicContact CD2-CG2 4.5Å |
| 265 | C | 96.1 | Very high | 95.5 | Very high | 48 Ų | 48 | 65 Ų | 65 | 32% | 0.324 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -15.5 | 170.2 | -67.9 | 0 | 0 | 0 | 0 | 113.1 | V261 F263 | V261-C265 PolarHBondContact O-N 2.86Å; V261-C265 PolarHBondContact O-SG 3.5Å; F263-C265 VanDerWaalsContact C-N 3.28Å; F263-C265 PolarHBondContact O-N 2.88Å |
| 266 | N | 95.6 | Very high | 95.7 | Very high | 119 Ų | 119 | 59.3 Ų | 59.3 | 64% | 0.636 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -139.4 | 55.8 | -174.6 | -58.7 | -79.4 | 0 | 0 | 0 | 110.8 | K262 F263 L264 | K262-N266 PolarHBondContact O-N 3.49Å; K262-N266 PolarHBondContact O-ND2 3.49Å; F263-N266 CarbonylContact O-C 3.13Å; F263-N266 PolarHBondContact O-N 2.9Å; L264-N266 VanDerWaalsContact C-N 3.27Å |
| 267 | I | 96.4 | Very high | 95.8 | Very high | 6 Ų | 6 | 54.8 Ų | 54.8 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | trans | -67.8 | 151 | -178.5 | 61.8 | 173.3 | 0 | 0 | 0 | 111.5 | L216 I243 Y247 F263 L264 Q269 | L216-I267 HydrophobicContact CD2-CD1 4.1Å; I243-I267 HydrophobicContact CD1-CD1 4.07Å; I243-I267 HydrophobicContact CG1-CD1 4.24Å; I243-I267 HydrophobicContact CG2-CD1 4.39Å; I243-I267 HydrophobicContact CG2-CG2 4.14Å; Y247-I267 HydrophobicContact CD2-CG2 4.43Å; Y247-I267 HydrophobicContact CE2-CB 4.05Å; Y247-I267 HydrophobicContact CE2-CG2 4.19Å; F263-I267 HydrophobicContact CE1-CG2 4.34Å; F263-I267 PolarHBondContact O-N 3.43Å; L264-I267 HydrophobicContact CD2-CG2 4.5Å; I267-Q269 PolarHBondContact O-NE2 3.29Å | ||
| 268 | P | 95.5 | Very high | 95.9 | Very high | 54 Ų | 54 | 58.9 Ų | 58.9 | 35% | 0.351 | 31% | 0.312 | S | S | . | . | trans | -58.1 | 137 | 171.3 | -24.2 | 33.1 | 0 | 0 | 0 | 112.5 | Y247 | Y247-P268 HydrophobicContact CE1-CG 3.99Å; Y247-P268 PolarHBondContact OH-O 3.05Å; Y247-P268 VanDerWaalsContact OH-O 3.12Å | ||
| 269 | Q | 93.5 | Very high | 95.9 | Very high | 91 Ų | 91 | 54.5 Ų | 54.5 | 43% | 0.425 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -89.7 | -10.3 | -172.3 | -58.2 | -63.8 | -59.2 | 0 | 0 | 114 | C215 P217 I267 N271 T272 | C215-Q269 PolarHBondContact O-NE2 2.89Å; C215-Q269 VanDerWaalsContact O-NE2 3.14Å; P217-Q269 HydrophobicContact CG-CB 4.39Å; I267-Q269 PolarHBondContact O-NE2 3.29Å; Q269-N271 PolarHBondContact O-N 3.44Å; Q269-T272 PolarHBondContact O-OG1 3.42Å |
| 270 | E | 89.8 | Confident | 95.9 | Very high | 178 Ų | 178 | 54 Ų | 54 | 83% | 0.832 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -27.2 | -172 | -62 | 175.4 | -174.5 | 0 | 0 | 114.3 | ||
| 271 | N | 90.3 | Very high | 95.8 | Very high | 93 Ų | 93 | 58.3 Ų | 58.3 | 50% | 0.497 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | 10.4 | -171.3 | -69.5 | -42.7 | 0 | 0 | 0 | 113.8 | Q269 D273 A274 I275 | Q269-N271 PolarHBondContact O-N 3.44Å; N271-D273 VanDerWaalsContact C-N 3.27Å; N271-D273 PolarHBondContact O-N 2.85Å; N271-A274 PolarHBondContact O-N 3.45Å; N271-I275 WeakPolarHBondContact O-CG1 3.23Å; N271-I275 PolarHBondContact O-N 3.42Å |
| 272 | T | 94.6 | Very high | 95.8 | Very high | 5 Ų | 5 | 57.8 Ų | 57.8 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.1 | -32 | -172.2 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | L216 P217 S220 Q269 I275 V276 | L216-T272 HydrophobicContact CD2-CG2 3.91Å; P217-T272 WeakPolarHBondContact CD-OG1 3.38Å; P217-T272 HydrophobicContact CG-CG2 4.27Å; S220-T272 PolarHBondContact OG-OG1 3.23Å; Q269-T272 PolarHBondContact O-OG1 3.42Å; T272-I275 PolarHBondContact O-N 2.99Å; T272-V276 WeakPolarHBondContact O-CG2 3.44Å; T272-V276 PolarHBondContact O-N 3.38Å |
| 273 | D | 94.8 | Very high | 95.8 | Very high | 80 Ų | 80 | 51.1 Ų | 51.1 | 43% | 0.428 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.1 | -38.8 | 177.1 | -85.5 | -33.9 | 0 | 0 | 0 | 113.4 | S220 R223 N271 T277 | S220-D273 WeakPolarHBondContact CB-OD1 3.4Å; S220-D273 VanDerWaalsContact OG-CG 3.31Å; S220-D273 PolarHBondContact OG-OD1 3.42Å; R223-D273 IonicContact CZ-OD1 2.66Å; R223-D273 IonicContact NE-OD1 2.77Å; R223-D273 VanDerWaalsContact NH2-CA 3.3Å; R223-D273 PolarHBondContact NH2-O 3.33Å; R223-D273 IonicContact NH2-OD1 3.95Å; R223-D273 PolarHBondContact NH2-OD1 3.15Å; N271-D273 VanDerWaalsContact C-N 3.27Å; N271-D273 PolarHBondContact O-N 2.85Å; D273-T277 WeakPolarHBondContact O-CB 3.14Å; D273-T277 PolarHBondContact O-N 3.24Å; D273-T277 VanDerWaalsContact O-N 3.07Å; D273-T277 PolarHBondContact O-OG1 3.15Å |
| 274 | A | 96.4 | Very high | 95.6 | Very high | 49 Ų | 49 | 52.7 Ų | 52.7 | 41% | 0.405 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.8 | -41.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | N271 T277 K278 | N271-A274 PolarHBondContact O-N 3.45Å; A274-T277 PolarHBondContact O-N 2.77Å; A274-K278 WeakPolarHBondContact O-CG 3.48Å; A274-K278 PolarHBondContact O-N 2.69Å |
| 275 | I | 97.9 | Very high | 95.3 | Very high | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.015 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.3 | -53.2 | 174 | -69.8 | 171.1 | 0 | 0 | 0 | 110.2 | E242 I243 Y247 N271 T272 T277 K278 A279 | E242-I275 HydrophobicContact CB-CG2 4.25Å; E242-I275 HydrophobicContact CG-CB 4.39Å; E242-I275 HydrophobicContact CG-CG2 3.96Å; E242-I275 WeakPolarHBondContact CG-O 3.41Å; I243-I275 HydrophobicContact CG1-CG2 3.75Å; Y247-I275 HydrophobicContact CE2-CD1 3.9Å; N271-I275 WeakPolarHBondContact O-CG1 3.23Å; N271-I275 PolarHBondContact O-N 3.42Å; T272-I275 PolarHBondContact O-N 2.99Å; I275-T277 VanDerWaalsContact C-N 3.27Å; I275-T277 PolarHBondContact O-N 3.26Å; I275-K278 PolarHBondContact O-N 3.13Å; I275-A279 VanDerWaalsContact O-CB 3.25Å; I275-A279 WeakPolarHBondContact O-CB 3.47Å; I275-A279 PolarHBondContact O-N 2.96Å |
| 276 | V | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.1 | -37.4 | -178.8 | 170.6 | 0 | 0 | 0 | 0 | 111.6 | L216 R223 V224 T272 A279 I280 | L216-V276 HydrophobicContact CD1-CG2 4.01Å; R223-V276 HydrophobicContact CB-CG1 4.11Å; V224-V276 HydrophobicContact CG2-CB 4.49Å; V224-V276 HydrophobicContact CG2-CG1 3.76Å; V224-V276 HydrophobicContact CG2-CG2 3.89Å; T272-V276 WeakPolarHBondContact O-CG2 3.44Å; T272-V276 PolarHBondContact O-N 3.38Å; V276-A279 PolarHBondContact O-N 3.19Å; V276-I280 HydrophobicContact CG1-CD1 3.92Å; V276-I280 VanDerWaalsContact O-CG1 3.28Å; V276-I280 WeakPolarHBondContact O-CG1 3.34Å; V276-I280 PolarHBondContact O-N 2.66Å |
| 277 | T | 96.9 | Very high | 94.7 | Very high | 61 Ų | 61 | 55 Ų | 55 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64 | -51.5 | 177.7 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | R223 D273 A274 I275 A279 I280 D281 | R223-T277 PolarHBondContact NH1-OG1 2.56Å; D273-T277 WeakPolarHBondContact O-CB 3.14Å; D273-T277 PolarHBondContact O-N 3.24Å; D273-T277 VanDerWaalsContact O-N 3.07Å; D273-T277 PolarHBondContact O-OG1 3.15Å; A274-T277 PolarHBondContact O-N 2.77Å; I275-T277 VanDerWaalsContact C-N 3.27Å; I275-T277 PolarHBondContact O-N 3.26Å; T277-A279 VanDerWaalsContact C-N 3.31Å; T277-A279 PolarHBondContact O-N 3.34Å; T277-I280 PolarHBondContact O-N 2.8Å; T277-D281 PolarHBondContact O-N 2.8Å |
| 278 | K | 97.8 | Very high | 93.3 | Very high | 106 Ų | 106 | 57.3 Ų | 57.3 | 46% | 0.461 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.3 | -36.4 | 177.2 | -69.7 | 175.7 | -178.2 | 179.1 | 0 | 112.6 | E242 A274 I275 I280 D281 L282 | E242-K278 HydrophobicContact CG-CB 3.82Å; E242-K278 WeakPolarHBondContact OE1-CD 3.5Å; E242-K278 IonicContact OE1-NZ 3.28Å; A274-K278 WeakPolarHBondContact O-CG 3.48Å; A274-K278 PolarHBondContact O-N 2.69Å; I275-K278 PolarHBondContact O-N 3.13Å; K278-I280 VanDerWaalsContact C-N 3.35Å; K278-D281 PolarHBondContact O-N 3.1Å; K278-L282 WeakPolarHBondContact O-CB 3.38Å; K278-L282 WeakPolarHBondContact O-CG 3.28Å; K278-L282 PolarHBondContact O-N 3.14Å |
| 279 | A | 98.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F238 V239 E242 I275 V276 T277 L282 W283 | F238-A279 WeakPolarHBondContact CB-O 3.3Å; F238-A279 WeakPolarHBondContact O-CB 3.48Å; V239-A279 HydrophobicContact CB-CB 4.37Å; V239-A279 HydrophobicContact CG2-CB 3.87Å; E242-A279 HydrophobicContact CB-CB 3.88Å; E242-A279 HydrophobicContact CG-CB 4.38Å; I275-A279 VanDerWaalsContact O-CB 3.25Å; I275-A279 WeakPolarHBondContact O-CB 3.47Å; I275-A279 PolarHBondContact O-N 2.96Å; V276-A279 PolarHBondContact O-N 3.19Å; T277-A279 VanDerWaalsContact C-N 3.31Å; T277-A279 PolarHBondContact O-N 3.34Å; A279-L282 PolarHBondContact O-N 2.9Å; A279-W283 VanDerWaalsContact O-CB 3.31Å; A279-W283 WeakPolarHBondContact O-CB 3.35Å; A279-W283 PolarHBondContact O-N 3.31Å |
| 280 | I | 96.3 | Very high | 88.4 | Confident | 17 Ų | 17 | 59.9 Ų | 59.9 | 9% | 0.087 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 174.7 | -69.5 | 166.3 | 0 | 0 | 0 | 110.2 | I235 V276 T277 K278 W283 Q284 | I235-I280 HydrophobicContact CD1-CG1 3.95Å; V276-I280 HydrophobicContact CG1-CD1 3.92Å; V276-I280 VanDerWaalsContact O-CG1 3.28Å; V276-I280 WeakPolarHBondContact O-CG1 3.34Å; V276-I280 PolarHBondContact O-N 2.66Å; T277-I280 PolarHBondContact O-N 2.8Å; K278-I280 VanDerWaalsContact C-N 3.35Å; I280-W283 HydrophobicContact CG2-CE3 4.47Å; I280-W283 PolarHBondContact O-N 2.92Å; I280-Q284 HydrophobicContact CG2-CG 4.45Å; I280-Q284 WeakPolarHBondContact O-CB 3.39Å; I280-Q284 VanDerWaalsContact O-CG 3.31Å; I280-Q284 WeakPolarHBondContact O-CG 3.14Å; I280-Q284 PolarHBondContact O-N 2.95Å |
| 281 | D | 95.1 | Very high | 85.7 | Confident | 90 Ų | 90 | 57.7 Ų | 57.7 | 48% | 0.481 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 177.6 | -64 | -23.4 | 0 | 0 | 0 | 111.7 | T277 K278 Q284 K285 | T277-D281 PolarHBondContact O-N 2.8Å; K278-D281 PolarHBondContact O-N 3.1Å; D281-Q284 PolarHBondContact O-N 3.45Å; D281-K285 WeakPolarHBondContact O-CB 3.5Å; D281-K285 PolarHBondContact O-N 2.97Å |
| 282 | L | 96 | Very high | 82.9 | Confident | 21 Ų | 21 | 59.9 Ų | 59.9 | 11% | 0.11 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 174.5 | -77.3 | 174.8 | 0 | 0 | 0 | 111.4 | F238 L241 E242 L245 K278 A279 Q284 K285 Y286 | F238-L282 HydrophobicContact CD1-CB 3.92Å; L241-L282 HydrophobicContact CD2-CD1 4.43Å; E242-L282 VanDerWaalsContact OE2-CD1 3.24Å; E242-L282 WeakPolarHBondContact OE2-CD1 3.31Å; L245-L282 HydrophobicContact CD1-CD1 4.2Å; K278-L282 WeakPolarHBondContact O-CB 3.38Å; K278-L282 WeakPolarHBondContact O-CG 3.28Å; K278-L282 PolarHBondContact O-N 3.14Å; A279-L282 PolarHBondContact O-N 2.9Å; L282-Q284 VanDerWaalsContact C-N 3.31Å; L282-Q284 PolarHBondContact O-N 3.38Å; L282-K285 HydrophobicContact CD2-CD 4.32Å; L282-K285 WeakPolarHBondContact O-CB 3.49Å; L282-K285 PolarHBondContact O-N 3.39Å; L282-Y286 HydrophobicContact CD2-CE2 4.43Å; L282-Y286 VanDerWaalsContact O-CD2 3.31Å; L282-Y286 WeakPolarHBondContact O-CD2 3.44Å; L282-Y286 PolarHBondContact O-N 3Å |
| 283 | W | 97.1 | Very high | 79.6 | Confident | 17 Ų | 17 | 63.9 Ų | 63.9 | 6% | 0.064 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.7 | -44.7 | 175.9 | 171 | 54.4 | 0 | 0 | 0 | 111.3 | Q47 K227 S232 I235 F238 A279 I280 Y286 C287 | Q47-W283 HydrophobicContact CB-CH2 3.98Å; Q47-W283 HydrophobicContact CG-CH2 4.16Å; Q47-W283 WeakPolarHBondContact O-CZ3 3.45Å; K227-W283 HydrophobicContact CB-CH2 4.4Å; K227-W283 HydrophobicContact CB-CZ3 4.35Å; K227-W283 HydrophobicContact CD-CH2 4.31Å; K227-W283 HydrophobicContact CD-CZ3 3.83Å; K227-W283 HydrophobicContact CG-CZ3 4.02Å; S232-W283 VanDerWaalsContact OG-CZ2 3.29Å; S232-W283 WeakPolarHBondContact OG-CZ2 2.85Å; S232-W283 PolarHBondContact OG-NE1 3.43Å; I235-W283 HydrophobicContact CB-CD2 4.42Å; I235-W283 HydrophobicContact CD1-CB 3.77Å; I235-W283 HydrophobicContact CD1-CD2 3.94Å; I235-W283 HydrophobicContact CD1-CE3 3.9Å; I235-W283 HydrophobicContact CD1-CG 3.9Å; F238-W283 HydrophobicContact CB-CB 3.9Å; F238-W283 HydrophobicContact CD1-CB 4.35Å; F238-W283 HydrophobicContact CD2-CB 3.51Å; F238-W283 AromaticContact CD2-CD1 3.49Å; F238-W283 VanDerWaalsContact CD2-CD1 3.49Å; F238-W283 AromaticContact CD2-CG 3.83Å; F238-W283 HydrophobicContact CD2-CG 3.83Å; F238-W283 HydrophobicContact CE2-CB 4.15Å; F238-W283 AromaticContact CE2-CD1 3.54Å; F238-W283 HydrophobicContact CE2-CG 4.24Å; F238-W283 HydrophobicContact CG-CB 3.64Å; F238-W283 HydrophobicContact CG-CG 4.45Å; A279-W283 VanDerWaalsContact O-CB 3.31Å; A279-W283 WeakPolarHBondContact O-CB 3.35Å; A279-W283 PolarHBondContact O-N 3.31Å; I280-W283 HydrophobicContact CG2-CE3 4.47Å; I280-W283 PolarHBondContact O-N 2.92Å; W283-Y286 PolarHBondContact O-N 3.21Å; W283-C287 VanDerWaalsContact O-CB 3.24Å; W283-C287 WeakPolarHBondContact O-CB 3.06Å; W283-C287 PolarHBondContact O-N 3.47Å |
| 284 | Q | 93.1 | Very high | 76.5 | Confident | 69 Ų | 69 | 70 Ų | 70 | 32% | 0.322 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.8 | -38.5 | 176.6 | -72.1 | 178.1 | -4.9 | 0 | 0 | 112.4 | R48 I280 D281 L282 Y286 G288 | R48-Q284 PolarHBondContact O-NE2 2.64Å; I280-Q284 HydrophobicContact CG2-CG 4.45Å; I280-Q284 WeakPolarHBondContact O-CB 3.39Å; I280-Q284 VanDerWaalsContact O-CG 3.31Å; I280-Q284 WeakPolarHBondContact O-CG 3.14Å; I280-Q284 PolarHBondContact O-N 2.95Å; D281-Q284 PolarHBondContact O-N 3.45Å; L282-Q284 VanDerWaalsContact C-N 3.31Å; L282-Q284 PolarHBondContact O-N 3.38Å; Q284-Y286 VanDerWaalsContact C-N 3.35Å; Q284-Y286 PolarHBondContact O-N 2.77Å; Q284-G288 WeakPolarHBondContact O-CA 3.47Å; Q284-G288 PolarHBondContact O-N 2.88Å |
| 285 | K | 92.4 | Very high | 75.5 | Confident | 110 Ų | 110 | 71 Ų | 71 | 48% | 0.478 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -57.2 | -46.5 | 174.1 | 173.7 | -168.6 | 169.8 | -168.2 | 0 | 111.7 | E185 D281 L282 | E185-K285 IonicContact OE1-NZ 2.8Å; E185-K285 PolarHBondContact OE1-NZ 3.34Å; D281-K285 WeakPolarHBondContact O-CB 3.5Å; D281-K285 PolarHBondContact O-N 2.97Å; L282-K285 HydrophobicContact CD2-CD 4.32Å; L282-K285 WeakPolarHBondContact O-CB 3.49Å; L282-K285 PolarHBondContact O-N 3.39Å |
| 286 | Y | 92 | Very high | 74.3 | Confident | 52 Ų | 52 | 74.6 Ų | 74.6 | 20% | 0.204 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -87.9 | -32.2 | -174.5 | -79.2 | -77.3 | 0 | 0 | 0 | 114.5 | Y181 E185 F238 L282 W283 Q284 | Y181-Y286 AromaticContact CD1-CD1 3.85Å; Y181-Y286 HydrophobicContact CD1-CD1 3.85Å; Y181-Y286 HydrophobicContact CD1-CD2 4.28Å; Y181-Y286 AromaticContact CD1-CE1 3.99Å; Y181-Y286 HydrophobicContact CD1-CE1 3.99Å; Y181-Y286 HydrophobicContact CD1-CE2 4.41Å; Y181-Y286 AromaticContact CD1-CG 4Å; Y181-Y286 HydrophobicContact CD1-CG 4Å; Y181-Y286 AromaticContact CE1-CD1 3.55Å; Y181-Y286 HydrophobicContact CE1-CD1 3.55Å; Y181-Y286 HydrophobicContact CE1-CD2 4.43Å; Y181-Y286 HydrophobicContact CE1-CE1 4.11Å; Y181-Y286 AromaticContact CE1-CG 3.73Å; Y181-Y286 HydrophobicContact CE1-CG 3.73Å; E185-Y286 HydrophobicContact CG-CE2 4.4Å; E185-Y286 WeakPolarHBondContact OE1-CE2 3.46Å; E185-Y286 VanDerWaalsContact OE1-CZ 3.25Å; E185-Y286 PolarHBondContact OE1-OH 3.37Å; F238-Y286 HydrophobicContact CD1-CD2 4.5Å; F238-Y286 AromaticContact CE1-CD2 3.57Å; F238-Y286 HydrophobicContact CE1-CD2 3.57Å; F238-Y286 HydrophobicContact CE1-CE2 4.42Å; F238-Y286 AromaticContact CE1-CG 3.97Å; F238-Y286 HydrophobicContact CE1-CG 3.97Å; F238-Y286 HydrophobicContact CZ-CD2 4.25Å; F238-Y286 HydrophobicContact CZ-CG 4.19Å; L282-Y286 HydrophobicContact CD2-CE2 4.43Å; L282-Y286 VanDerWaalsContact O-CD2 3.31Å; L282-Y286 WeakPolarHBondContact O-CD2 3.44Å; L282-Y286 PolarHBondContact O-N 3Å; W283-Y286 PolarHBondContact O-N 3.21Å; Q284-Y286 VanDerWaalsContact C-N 3.35Å; Q284-Y286 PolarHBondContact O-N 2.77Å |
| 287 | C | 86.1 | Confident | 73 | Confident | 52 Ų | 52 | 78.7 Ų | 78.7 | 35% | 0.351 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -108.7 | -18.6 | -175 | -64.3 | 0 | 0 | 0 | 0 | 113.7 | W283 | W283-C287 VanDerWaalsContact O-CB 3.24Å; W283-C287 WeakPolarHBondContact O-CB 3.06Å; W283-C287 PolarHBondContact O-N 3.47Å |
| 288 | G | 66.6 | Low | 71.6 | Confident | 55 Ų | 55 | 79.8 Ų | 79.8 | 57% | 0.567 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -90.1 | -6.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q284 P290 | Q284-G288 WeakPolarHBondContact O-CA 3.47Å; Q284-G288 PolarHBondContact O-N 2.88Å; G288-P290 WeakPolarHBondContact O-CD 3.28Å |
| 289 | N | 46 | Very low | 69.9 | Low | 87 Ų | 87 | 78.1 Ų | 78.1 | 47% | 0.465 | 45% | 0.45 | S | S | . | . | trans | -100.1 | 114.5 | 175.5 | -112.7 | -19.2 | 0 | 0 | 0 | 110.1 | N291 H292 | N289-N291 PolarHBondContact O-N 3.14Å; N289-H292 PolarHBondContact O-N 3.4Å | ||
| 290 | P | 41.8 | Very low | 68.1 | Low | 113 Ų | 113 | 83.3 Ų | 83.3 | 73% | 0.734 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -58.2 | -13.5 | 171.5 | -22.8 | 33.2 | 0 | 0 | 0 | 113.9 | G288 H292 | G288-P290 WeakPolarHBondContact O-CD 3.28Å; P290-H292 VanDerWaalsContact C-N 3.35Å; P290-H292 PolarHBondContact O-N 3.3Å |
| 291 | N | 31.3 | Very low | 66 | Low | 132 Ų | 132 | 88.1 Ų | 88.1 | 71% | 0.706 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -83.9 | 2 | -175.4 | -69 | -14.9 | 0 | 0 | 0 | 115.3 | N289 | N289-N291 PolarHBondContact O-N 3.14Š|
| 292 | H | 31.5 | Very low | 63.8 | Low | 139 Ų | 139 | 87.9 Ų | 87.9 | 64% | 0.644 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -118.1 | 18.4 | 175.9 | -72.5 | -55.6 | 0 | 0 | 0 | 114 | N289 P290 V294 | N289-H292 PolarHBondContact O-N 3.4Å; P290-H292 VanDerWaalsContact C-N 3.35Å; P290-H292 PolarHBondContact O-N 3.3Å; H292-V294 VanDerWaalsContact C-N 3.33Å; H292-V294 PolarHBondContact O-N 3.13Å |
| 293 | A | 26.6 | Very low | 61.1 | Low | 89 Ų | 89 | 93.5 Ų | 93.5 | 74% | 0.736 | 54% | 0.544 | S | S | * | . | trans | -85.5 | 77.8 | 161 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 294 | V | 28.9 | Very low | 57.9 | Low | 207 Ų | 207 | 100.5 Ų | 100.5 | 100% | 1.255 | 59% | 0.587 | S | S | * | * | trans | -138 | 0 | 159.9 | -175.5 | 0 | 0 | 0 | 0 | 108.2 | H292 | H292-V294 VanDerWaalsContact C-N 3.33Å; H292-V294 PolarHBondContact O-N 3.13Å |
Retrieved 294 of 294 residues in 494.6 ms
(Link to these results)