| 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 | 39.8 | Very low | 77.2 | Confident | 242 Ų | 242 | 110.7 Ų | 110.7 | 100% | 1.192 | 63% | 0.625 | S | S | * | * | 0 | 105.9 | 0 | -72.6 | 177.6 | -177.9 | 0 | 0 | 107.3 | S3 | M1-S3 PolarHBondContact O-N 3.27Š| |||
| 2 | S | 50.9 | Low | 78.5 | Confident | 107 Ų | 107 | 108.8 Ų | 108.8 | 75% | 0.748 | 61% | 0.605 | S | S | * | * | trans | -73.2 | 111.3 | 168.1 | 52.2 | 0 | 0 | 0 | 0 | 107.5 | N4 | S2-N4 PolarHBondContact O-N 3.27Š| ||
| 3 | S | 59.9 | Low | 79.4 | Confident | 100 Ų | 100 | 104.5 Ų | 104.5 | 70% | 0.699 | 58% | 0.58 | S | S | * | * | trans | -67.4 | 116.4 | 165.9 | 43.7 | 0 | 0 | 0 | 0 | 107.7 | M1 V5 | M1-S3 PolarHBondContact O-N 3.27Å; S3-V5 PolarHBondContact O-N 2.73Å; S3-V5 VanDerWaalsContact O-N 3.16Å | ||
| 4 | N | 71.1 | Confident | 80.1 | Confident | 155 Ų | 155 | 98.9 Ų | 98.9 | 83% | 0.829 | 55% | 0.554 | S | S | * | * | trans | -67.1 | 114.2 | 169.6 | -74.7 | -9.4 | 0 | 0 | 0 | 107.7 | S2 | S2-N4 PolarHBondContact O-N 3.27Š| ||
| 5 | V | 74.4 | Confident | 80.7 | Confident | 125 Ų | 125 | 102.5 Ų | 102.5 | 76% | 0.758 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -103 | 119.9 | 175.6 | -179.4 | 0 | 0 | 0 | 0 | 108.2 | S3 | S3-V5 PolarHBondContact O-N 2.73Å; S3-V5 VanDerWaalsContact O-N 3.16Å |
| 6 | T | 84.9 | Confident | 81.2 | Confident | 125 Ų | 125 | 100.7 Ų | 100.7 | 77% | 0.767 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 129.2 | 174 | -50.9 | 0 | 0 | 0 | 0 | 110 | K8 | T6-K8 PolarHBondContact O-N 3.13Š|
| 7 | A | 89.2 | Confident | 81.8 | Confident | 33 Ų | 33 | 102.5 Ų | 102.5 | 27% | 0.273 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -64.3 | 131 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | F12 T30 V32 | A7-F12 HydrophobicContact CB-CD1 4.12Å; A7-F12 HydrophobicContact CB-CE1 4.15Å; A7-T30 HydrophobicContact CB-CG2 3.84Å; A7-V32 HydrophobicContact CB-CG2 4.12Å |
| 8 | K | 92 | Very high | 82.2 | Confident | 197 Ų | 197 | 99.8 Ų | 99.8 | 86% | 0.857 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -86.7 | -19 | 178.6 | -64.9 | -174.5 | 178.4 | -177.7 | 0 | 113.3 | T6 | T6-K8 PolarHBondContact O-N 3.13Š|
| 9 | T | 94.5 | Very high | 82.7 | Confident | 85 Ų | 85 | 103.8 Ų | 103.8 | 52% | 0.521 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -144.4 | 161.6 | -176.1 | 50 | 0 | 0 | 0 | 0 | 108.8 | F11 V32 | T9-F11 PolarHBondContact O-N 3.19Å; T9-F11 VanDerWaalsContact O-N 3.12Å; T9-F11 PolarHBondContact OG1-O 2.68Å; T9-V32 WeakPolarHBondContact O-CG2 3.48Å |
| 10 | D | 96.6 | Very high | 83.3 | Confident | 16 Ų | 16 | 103.2 Ų | 103.2 | 9% | 0.086 | 57% | 0.574 | C | S | . | * | S | Bend | trans | -54.5 | -29.6 | 176.2 | -76.4 | 10.1 | 0 | 0 | 0 | 113.6 | A29 T30 V32 H168 Y202 | D10-A29 CarbonylContact O-C 3.5Å; D10-A29 WeakPolarHBondContact O-CA 3.42Å; D10-T30 CarbonylContact C-O 3.5Å; D10-T30 VanDerWaalsContact CA-O 3.25Å; D10-T30 WeakPolarHBondContact CA-O 3.35Å; D10-T30 VanDerWaalsContact CB-O 3.25Å; D10-T30 WeakPolarHBondContact CB-O 3.35Å; D10-T30 WeakPolarHBondContact O-CG2 3.41Å; D10-T30 PolarHBondContact O-N 3.25Å; D10-T30 VanDerWaalsContact O-O 3.09Å; D10-V32 PolarHBondContact OD1-N 2.71Å; D10-H168 IonicContact OD1-CE1 2.68Å; D10-H168 IonicContact OD1-ND1 3.81Å; D10-H168 PolarHBondContact OD1-ND1 3.07Å; D10-H168 IonicContact OD2-CE1 3.59Å; D10-H168 IonicContact OD2-CG 3.69Å; D10-H168 IonicContact OD2-ND1 2.76Å; D10-H168 PolarHBondContact OD2-ND1 3.3Å; D10-Y202 HydrophobicContact CB-CE2 4.26Å; D10-Y202 PolarHBondContact OD2-OH 2.85Å |
| 11 | F | 95.7 | Very high | 83.5 | Confident | 33 Ų | 33 | 106.8 Ų | 106.8 | 15% | 0.145 | 59% | 0.587 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.1 | 140.5 | -175 | -42.6 | -61.2 | 0 | 0 | 0 | 111.1 | T9 H28 A29 Y169 L170 S172 M173 Y202 | T9-F11 PolarHBondContact O-N 3.19Å; T9-F11 VanDerWaalsContact O-N 3.12Å; T9-F11 PolarHBondContact OG1-O 2.68Å; F11-H28 WeakPolarHBondContact CA-O 3.49Å; F11-A29 HydrophobicContact CD1-CB 4.03Å; F11-A29 HydrophobicContact CE1-CB 4.1Å; F11-Y169 VanDerWaalsContact CE2-O 3.23Å; F11-Y169 WeakPolarHBondContact CE2-O 3.44Å; F11-Y169 WeakPolarHBondContact CZ-O 3.41Å; F11-L170 HydrophobicContact CE1-CD1 3.72Å; F11-L170 HydrophobicContact CZ-CD1 4.19Å; F11-S172 WeakPolarHBondContact CD2-OG 3.19Å; F11-S172 WeakPolarHBondContact CE2-OG 3.12Å; F11-M173 HydrophobicContact CB-CB 4.19Å; F11-M173 HydrophobicContact CB-CG 4.46Å; F11-M173 HydrophobicContact CB-SD 4.42Å; F11-M173 HydrophobicContact CD1-CB 3.67Å; F11-M173 HydrophobicContact CD1-CG 4.15Å; F11-M173 HydrophobicContact CD1-SD 3.57Å; F11-M173 VanDerWaalsContact CD1-SD 3.57Å; F11-M173 HydrophobicContact CD2-CB 4.22Å; F11-M173 HydrophobicContact CE1-CB 4.12Å; F11-M173 HydrophobicContact CE1-SD 4.27Å; F11-M173 HydrophobicContact CG-CB 3.73Å; F11-M173 HydrophobicContact CG-CG 4.38Å; F11-M173 HydrophobicContact CG-SD 4.27Å; F11-Y202 HydrophobicContact CE1-CD2 4.27Å; F11-Y202 AromaticContact CE1-CE2 3.61Å; F11-Y202 HydrophobicContact CE1-CE2 3.61Å; F11-Y202 AromaticContact CE1-CZ 3.82Å; F11-Y202 AromaticContact CZ-CE2 3.97Å; F11-Y202 HydrophobicContact CZ-CE2 3.97Å; F11-Y202 AromaticContact CZ-CZ 3.71Å; F11-Y202 WeakPolarHBondContact CZ-OH 3.45Å |
| 12 | F | 92.8 | Very high | 85.9 | Confident | 88 Ų | 88 | 102.1 Ų | 102.1 | 39% | 0.386 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -149.3 | 155.7 | 173.9 | 57.4 | -86.7 | 0 | 0 | 0 | 110.6 | A7 A14 H28 T30 | A7-F12 HydrophobicContact CB-CD1 4.12Å; A7-F12 HydrophobicContact CB-CE1 4.15Å; F12-A14 HydrophobicContact CD2-CB 4.33Å; F12-A14 HydrophobicContact CE2-CB 4.26Å; F12-H28 HydrophobicContact CD2-CB 4.17Å; F12-H28 HydrophobicContact CE1-CB 4Å; F12-H28 HydrophobicContact CE2-CB 3.61Å; F12-H28 AromaticContact CE2-CD2 3.95Å; F12-H28 AromaticContact CE2-CG 3.97Å; F12-H28 HydrophobicContact CZ-CB 3.51Å; F12-H28 PolarHBondContact N-O 2.78Å; F12-H28 PolarHBondContact O-N 3.42Å; F12-T30 HydrophobicContact CD1-CG2 4.45Å; F12-T30 HydrophobicContact CE1-CG2 3.99Å |
| 13 | N | 90.1 | Very high | 87.6 | Confident | 53 Ų | 53 | 102.2 Ų | 102.2 | 28% | 0.283 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.5 | 114.3 | 169.9 | -174.9 | -17.7 | 0 | 0 | 0 | 108 | S25 N26 Y27 | N13-S25 PolarHBondContact OD1-OG 3.27Å; N13-S25 VanDerWaalsContact OD1-OG 3.14Å; N13-N26 CarbonylContact C-O 3.56Å; N13-N26 WeakPolarHBondContact CA-O 3.48Å; N13-N26 PolarHBondContact OD1-O 3.24Å; N13-Y27 HydrophobicContact CB-CD1 3.92Å; N13-Y27 HydrophobicContact CB-CE1 3.65Å; N13-Y27 PolarHBondContact ND2-OH 3.27Å |
| 14 | A | 89.2 | Confident | 88.8 | Confident | 26 Ų | 26 | 101.7 Ų | 101.7 | 22% | 0.215 | 54% | 0.54 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 125.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | F12 Y24 S25 N26 | F12-A14 HydrophobicContact CD2-CB 4.33Å; F12-A14 HydrophobicContact CE2-CB 4.26Å; A14-Y24 HydrophobicContact CB-CE1 4.29Å; A14-S25 WeakPolarHBondContact O-CA 3.25Å; A14-N26 PolarHBondContact N-O 3.2Å; A14-N26 PolarHBondContact O-N 2.82Å |
| 15 | K | 89.3 | Confident | 89.6 | Confident | 153 Ų | 153 | 97.6 Ų | 97.6 | 67% | 0.665 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120 | 129.8 | 175.3 | -63.5 | -174.4 | 179 | -177.2 | 0 | 110.3 | Y24 | K15-Y24 CarbonylContact C-O 3.54Å; K15-Y24 WeakPolarHBondContact CA-O 3.35Å |
| 16 | C | 88.7 | Confident | 90.2 | Very high | 73 Ų | 73 | 92.2 Ų | 92.2 | 49% | 0.493 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 140.9 | 178.2 | -54.7 | 0 | 0 | 0 | 0 | 109.4 | T23 Y24 | C16-T23 CarbonylContact O-C 3.57Å; C16-T23 WeakPolarHBondContact O-CA 3.3Å; C16-Y24 HydrophobicContact CB-CD1 4.39Å; C16-Y24 PolarHBondContact N-O 2.87Å; C16-Y24 PolarHBondContact O-N 3.43Å |
| 17 | N | 91.2 | Very high | 90.5 | Very high | 132 Ų | 132 | 87.7 Ų | 87.7 | 71% | 0.706 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 123.3 | 172.2 | -61.1 | -31.3 | 0 | 0 | 0 | 107.3 | T23 | N17-T23 VanDerWaalsContact OD1-CG2 3.27Å; N17-T23 WeakPolarHBondContact OD1-CG2 3.42Å |
| 18 | A | 89.8 | Confident | 90.6 | Very high | 53 Ų | 53 | 88.8 Ų | 88.8 | 44% | 0.438 | 46% | 0.458 | S | S | . | . | trans | -84 | 159.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | D20 Q21 K22 | A18-D20 VanDerWaalsContact CB-OD1 3.23Å; A18-D20 WeakPolarHBondContact CB-OD1 3.42Å; A18-D20 PolarHBondContact O-N 3.02Å; A18-Q21 WeakPolarHBondContact O-CA 3.33Å; A18-Q21 PolarHBondContact O-N 3.13Å; A18-K22 HydrophobicContact CB-CB 4.45Å; A18-K22 PolarHBondContact N-O 3.4Å | ||
| 19 | D | 92.2 | Very high | 90.8 | Very high | 176 Ų | 176 | 79.7 Ų | 79.7 | 94% | 0.941 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -26 | 179 | -64.4 | -29.3 | 0 | 0 | 0 | 112.5 | Q21 | D19-Q21 PolarHBondContact O-N 2.82Š|
| 20 | D | 92.8 | Very high | 90.8 | Very high | 91 Ų | 91 | 77.4 Ų | 77.4 | 49% | 0.487 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 14.1 | 174.5 | 75.4 | -13.3 | 0 | 0 | 0 | 113.7 | A18 K22 | A18-D20 VanDerWaalsContact CB-OD1 3.23Å; A18-D20 WeakPolarHBondContact CB-OD1 3.42Å; A18-D20 PolarHBondContact O-N 3.02Å; D20-K22 PolarHBondContact O-N 3.18Å; D20-K22 VanDerWaalsContact OD1-CB 3.3Å; D20-K22 WeakPolarHBondContact OD1-CB 3.3Å; D20-K22 WeakPolarHBondContact OD1-CG 3.01Å; D20-K22 PolarHBondContact OD1-N 3.23Å; D20-K22 VanDerWaalsContact OD1-N 3.1Å; D20-K22 VanDerWaalsContact OD2-CD 3.29Å; D20-K22 WeakPolarHBondContact OD2-CD 3.08Å; D20-K22 VanDerWaalsContact OD2-CE 3.24Å; D20-K22 WeakPolarHBondContact OD2-CE 3.34Å; D20-K22 IonicContact OD2-NZ 3.24Å; D20-K22 PolarHBondContact OD2-NZ 3.38Å |
| 21 | Q | 88.8 | Confident | 90.8 | Very high | 179 Ų | 179 | 76.9 Ų | 76.9 | 84% | 0.836 | 40% | 0.403 | S | S | * | . | S | Bend | trans | 64.8 | 7.5 | -176.9 | -53.8 | -175.3 | -3.4 | 0 | 0 | 115.4 | A18 D19 | A18-Q21 WeakPolarHBondContact O-CA 3.33Å; A18-Q21 PolarHBondContact O-N 3.13Å; D19-Q21 PolarHBondContact O-N 2.82Å |
| 22 | K | 88.9 | Confident | 90.9 | Very high | 145 Ų | 145 | 77.5 Ų | 77.5 | 63% | 0.63 | 41% | 0.41 | S | S | * | . | trans | -70.4 | 139 | 170.6 | -68.9 | 179.9 | -170.8 | 134.3 | 0 | 110.4 | A18 D20 | A18-K22 HydrophobicContact CB-CB 4.45Å; A18-K22 PolarHBondContact N-O 3.4Å; D20-K22 PolarHBondContact O-N 3.18Å; D20-K22 VanDerWaalsContact OD1-CB 3.3Å; D20-K22 WeakPolarHBondContact OD1-CB 3.3Å; D20-K22 WeakPolarHBondContact OD1-CG 3.01Å; D20-K22 PolarHBondContact OD1-N 3.23Å; D20-K22 VanDerWaalsContact OD1-N 3.1Å; D20-K22 VanDerWaalsContact OD2-CD 3.29Å; D20-K22 WeakPolarHBondContact OD2-CD 3.08Å; D20-K22 VanDerWaalsContact OD2-CE 3.24Å; D20-K22 WeakPolarHBondContact OD2-CE 3.34Å; D20-K22 IonicContact OD2-NZ 3.24Å; D20-K22 PolarHBondContact OD2-NZ 3.38Å | ||
| 23 | T | 87 | Confident | 91 | Very high | 109 Ų | 109 | 75.2 Ų | 75.2 | 67% | 0.669 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 133.1 | 176.4 | 64.2 | 0 | 0 | 0 | 0 | 109.8 | C16 N17 | C16-T23 CarbonylContact O-C 3.57Å; C16-T23 WeakPolarHBondContact O-CA 3.3Å; N17-T23 VanDerWaalsContact OD1-CG2 3.27Å; N17-T23 WeakPolarHBondContact OD1-CG2 3.42Å |
| 24 | Y | 85.5 | Confident | 91.2 | Very high | 89 Ų | 89 | 75.1 Ų | 75.1 | 35% | 0.349 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 134.6 | 167.9 | 170.8 | -95.9 | 0 | 0 | 0 | 107.8 | A14 K15 C16 N26 H28 | A14-Y24 HydrophobicContact CB-CE1 4.29Å; K15-Y24 CarbonylContact C-O 3.54Å; K15-Y24 WeakPolarHBondContact CA-O 3.35Å; C16-Y24 HydrophobicContact CB-CD1 4.39Å; C16-Y24 PolarHBondContact N-O 2.87Å; C16-Y24 PolarHBondContact O-N 3.43Å; Y24-N26 HydrophobicContact CE1-CB 3.89Å; Y24-N26 HydrophobicContact CE2-CB 3.89Å; Y24-N26 WeakPolarHBondContact OH-CB 3.36Å; Y24-N26 PolarHBondContact OH-ND2 3.46Å; Y24-H28 AromaticContact CE1-NE2 3.93Å; Y24-H28 AromaticContact CZ-NE2 3.86Å; Y24-H28 PolarHBondContact OH-CE1 3.27Å; Y24-H28 PolarHBondContact OH-NE2 3.47Å |
| 25 | S | 87.2 | Confident | 91.5 | Very high | 68 Ų | 68 | 79.9 Ų | 79.9 | 48% | 0.476 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 118.7 | 171.6 | -179.9 | 0 | 0 | 0 | 0 | 107.9 | N13 A14 | N13-S25 PolarHBondContact OD1-OG 3.27Å; N13-S25 VanDerWaalsContact OD1-OG 3.14Å; A14-S25 WeakPolarHBondContact O-CA 3.25Å |
| 26 | N | 88.4 | Confident | 91.7 | Very high | 13 Ų | 13 | 77.1 Ų | 77.1 | 7% | 0.07 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 152.8 | 178.4 | -163.3 | 15.3 | 0 | 0 | 0 | 112 | N13 A14 Y24 H28 F190 G191 | N13-N26 CarbonylContact C-O 3.56Å; N13-N26 WeakPolarHBondContact CA-O 3.48Å; N13-N26 PolarHBondContact OD1-O 3.24Å; A14-N26 PolarHBondContact N-O 3.2Å; A14-N26 PolarHBondContact O-N 2.82Å; Y24-N26 HydrophobicContact CE1-CB 3.89Å; Y24-N26 HydrophobicContact CE2-CB 3.89Å; Y24-N26 WeakPolarHBondContact OH-CB 3.36Å; Y24-N26 PolarHBondContact OH-ND2 3.46Å; N26-H28 PolarHBondContact O-CD2 3.21Å; N26-F190 PolarHBondContact ND2-O 2.74Å; N26-G191 PolarHBondContact ND2-N 2.86Å; N26-G191 PolarHBondContact OD1-N 3.4Å |
| 27 | Y | 90.5 | Very high | 92 | Very high | 30 Ų | 30 | 73.7 Ų | 73.7 | 12% | 0.118 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 130.6 | 174.5 | -70 | -77.1 | 0 | 0 | 0 | 110 | N13 R176 R177 D180 | N13-Y27 HydrophobicContact CB-CD1 3.92Å; N13-Y27 HydrophobicContact CB-CE1 3.65Å; N13-Y27 PolarHBondContact ND2-OH 3.27Å; Y27-R176 HydrophobicContact CD1-CG 4.46Å; Y27-R176 HydrophobicContact CE1-CB 4.44Å; Y27-R176 HydrophobicContact CE1-CG 3.53Å; Y27-R176 HydrophobicContact CE2-CG 4.5Å; Y27-R176 WeakPolarHBondContact OH-CG 3.37Å; Y27-R176 PolarHBondContact OH-NE 3.06Å; Y27-R176 VanDerWaalsContact OH-NE 3.1Å; Y27-R177 HydrophobicContact CD2-CB 4.35Å; Y27-D180 PolarHBondContact OH-OD2 3.27Å |
| 28 | H | 92.2 | Very high | 92.1 | Very high | 55 Ų | 55 | 70.4 Ų | 70.4 | 26% | 0.255 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 143.3 | 178.3 | -65.3 | -87.1 | 0 | 0 | 0 | 110.6 | F11 F12 Y24 N26 | F11-H28 WeakPolarHBondContact CA-O 3.49Å; F12-H28 HydrophobicContact CD2-CB 4.17Å; F12-H28 HydrophobicContact CE1-CB 4Å; F12-H28 HydrophobicContact CE2-CB 3.61Å; F12-H28 AromaticContact CE2-CD2 3.95Å; F12-H28 AromaticContact CE2-CG 3.97Å; F12-H28 HydrophobicContact CZ-CB 3.51Å; F12-H28 PolarHBondContact N-O 2.78Å; F12-H28 PolarHBondContact O-N 3.42Å; Y24-H28 AromaticContact CE1-NE2 3.93Å; Y24-H28 AromaticContact CZ-NE2 3.86Å; Y24-H28 PolarHBondContact OH-CE1 3.27Å; Y24-H28 PolarHBondContact OH-NE2 3.47Å; N26-H28 PolarHBondContact O-CD2 3.21Å |
| 29 | A | 94.7 | Very high | 92.2 | Very high | 6 Ų | 6 | 73.9 Ų | 73.9 | 5% | 0.05 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 135.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | D10 F11 M173 V198 Y202 K205 | D10-A29 CarbonylContact O-C 3.5Å; D10-A29 WeakPolarHBondContact O-CA 3.42Å; F11-A29 HydrophobicContact CD1-CB 4.03Å; F11-A29 HydrophobicContact CE1-CB 4.1Å; A29-M173 HydrophobicContact CB-CE 3.94Å; A29-M173 HydrophobicContact CB-SD 3.71Å; A29-V198 HydrophobicContact CB-CG1 4.41Å; A29-Y202 HydrophobicContact CB-CD2 3.81Å; A29-Y202 HydrophobicContact CB-CE2 4.46Å; A29-Y202 HydrophobicContact CB-CG 4.43Å; A29-K205 PolarHBondContact O-NZ 3.48Å |
| 30 | T | 94.8 | Very high | 92.2 | Very high | 37 Ų | 37 | 66.7 Ų | 66.7 | 23% | 0.227 | 35% | 0.351 | C | S | . | . | trans | -140.3 | 179.6 | 169.9 | -165.9 | 0 | 0 | 0 | 0 | 109.5 | A7 D10 F12 V32 Y202 | A7-T30 HydrophobicContact CB-CG2 3.84Å; D10-T30 CarbonylContact C-O 3.5Å; D10-T30 VanDerWaalsContact CA-O 3.25Å; D10-T30 WeakPolarHBondContact CA-O 3.35Å; D10-T30 VanDerWaalsContact CB-O 3.25Å; D10-T30 WeakPolarHBondContact CB-O 3.35Å; D10-T30 WeakPolarHBondContact O-CG2 3.41Å; D10-T30 PolarHBondContact O-N 3.25Å; D10-T30 VanDerWaalsContact O-O 3.09Å; F12-T30 HydrophobicContact CD1-CG2 4.45Å; F12-T30 HydrophobicContact CE1-CG2 3.99Å; T30-V32 HydrophobicContact CG2-CG2 4.07Å; T30-Y202 VanDerWaalsContact O-CE2 3.26Å; T30-Y202 WeakPolarHBondContact O-CE2 3.41Å | ||
| 31 | I | 97.2 | Very high | 92 | Very high | 6 Ų | 6 | 64.9 Ų | 64.9 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | trans | -120.4 | 119.7 | 174.3 | -68 | -75.1 | 0 | 0 | 0 | 107.8 | P33 L143 H168 Y202 K205 F206 S209 Y210 | I31-P33 HydrophobicContact CG2-CG 4.49Å; I31-P33 WeakPolarHBondContact O-CD 3.11Å; I31-L143 HydrophobicContact CD1-CD1 4.06Å; I31-H168 HydrophobicContact CD1-CB 4.02Å; I31-Y202 HydrophobicContact CD1-CD2 3.88Å; I31-Y202 HydrophobicContact CD1-CE1 4.39Å; I31-Y202 HydrophobicContact CD1-CE2 3.3Å; I31-Y202 HydrophobicContact CG1-CD2 4.21Å; I31-Y202 HydrophobicContact CG1-CE2 4.02Å; I31-K205 HydrophobicContact CB-CB 4.48Å; I31-K205 HydrophobicContact CG1-CB 4.04Å; I31-F206 HydrophobicContact CD1-CB 3.92Å; I31-F206 HydrophobicContact CD1-CD2 4.27Å; I31-F206 HydrophobicContact CG1-CB 3.9Å; I31-F206 HydrophobicContact CG2-CD2 4.44Å; I31-S209 PolarHBondContact O-OG 3.01Å; I31-Y210 HydrophobicContact CG2-CE2 3.93Å | ||
| 32 | V | 96.9 | Very high | 91.8 | Very high | 46 Ų | 46 | 62.1 Ų | 62.1 | 28% | 0.279 | 33% | 0.334 | S | S | . | . | trans | -107.6 | 99.7 | 173.5 | -177.4 | 0 | 0 | 0 | 0 | 107.8 | A7 T9 D10 T30 S34 | A7-V32 HydrophobicContact CB-CG2 4.12Å; T9-V32 WeakPolarHBondContact O-CG2 3.48Å; D10-V32 PolarHBondContact OD1-N 2.71Å; T30-V32 HydrophobicContact CG2-CG2 4.07Å; V32-S34 PolarHBondContact O-N 3.21Å | ||
| 33 | P | 96.2 | Very high | 91.5 | Very high | 39 Ų | 39 | 64 Ų | 64 | 25% | 0.253 | 34% | 0.337 | S | S | . | . | trans | -58 | 134.1 | 178.2 | -26.3 | 35.9 | 0 | 0 | 0 | 112 | I31 L38 S209 Y210 | I31-P33 HydrophobicContact CG2-CG 4.49Å; I31-P33 WeakPolarHBondContact O-CD 3.11Å; P33-L38 HydrophobicContact CB-CD1 3.9Å; P33-L38 HydrophobicContact CB-CD2 3.95Å; P33-L38 HydrophobicContact CB-CG 3.76Å; P33-S209 VanDerWaalsContact CG-O 3.3Å; P33-S209 WeakPolarHBondContact CG-O 3.45Å; P33-Y210 WeakPolarHBondContact CA-OH 3.45Å; P33-Y210 HydrophobicContact CB-CD1 4.38Å; P33-Y210 HydrophobicContact CB-CE1 3.69Å; P33-Y210 HydrophobicContact CB-CE2 4.38Å; P33-Y210 HydrophobicContact CG-CE1 4.24Å; P33-Y210 HydrophobicContact CG-CE2 4.24Å | ||
| 34 | S | 94.8 | Very high | 91 | Very high | 52 Ų | 52 | 60.8 Ų | 60.8 | 36% | 0.364 | 32% | 0.315 | S | S | . | . | trans | -84.4 | 152.7 | 170.3 | 68.4 | 0 | 0 | 0 | 0 | 110.8 | V32 D36 A37 L38 | V32-S34 PolarHBondContact O-N 3.21Å; S34-D36 PolarHBondContact O-N 3.1Å; S34-A37 PolarHBondContact O-N 3.25Å; S34-A37 VanDerWaalsContact O-N 3.1Å; S34-A37 WeakPolarHBondContact OG-CB 3.45Å; S34-A37 PolarHBondContact OG-N 3.03Å; S34-A37 VanDerWaalsContact OG-N 3.12Å; S34-L38 WeakPolarHBondContact O-CG 3.3Å; S34-L38 PolarHBondContact O-N 2.98Å | ||
| 35 | D | 94 | Very high | 90.5 | Very high | 126 Ų | 126 | 59.5 Ų | 59.5 | 67% | 0.674 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -57.7 | -35.8 | 174.3 | -69 | -31.6 | 0 | 0 | 0 | 111.8 | N39 | D35-N39 VanDerWaalsContact O-CB 3.27Å; D35-N39 WeakPolarHBondContact O-CB 3.38Å; D35-N39 PolarHBondContact O-N 2.75Å; D35-N39 PolarHBondContact O-ND2 2.89Å |
| 36 | D | 94.3 | Very high | 89.9 | Confident | 95 Ų | 95 | 61.9 Ų | 61.9 | 51% | 0.508 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62 | -47.4 | 174.4 | 177.8 | 70.1 | 0 | 0 | 0 | 111.6 | S34 N39 R40 | S34-D36 PolarHBondContact O-N 3.1Å; D36-N39 PolarHBondContact O-N 3.46Å; D36-R40 WeakPolarHBondContact O-CA 3.48Å; D36-R40 WeakPolarHBondContact O-CB 3.3Å; D36-R40 PolarHBondContact O-N 2.82Å; D36-R40 IonicContact OD2-CZ 3.76Å; D36-R40 IonicContact OD2-NE 2.83Å; D36-R40 IonicContact OD2-NH2 3.6Å; D36-R40 PolarHBondContact OD2-NH2 2.85Å |
| 37 | A | 95.1 | Very high | 89 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.3 | -39 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S34 V141 Y210 R214 | S34-A37 PolarHBondContact O-N 3.25Å; S34-A37 VanDerWaalsContact O-N 3.1Å; S34-A37 WeakPolarHBondContact OG-CB 3.45Å; S34-A37 PolarHBondContact OG-N 3.03Å; S34-A37 VanDerWaalsContact OG-N 3.12Å; A37-V141 HydrophobicContact CB-CG1 3.95Å; A37-V141 HydrophobicContact CB-CG2 4.05Å; A37-Y210 HydrophobicContact CB-CE1 3.76Å; A37-Y210 VanDerWaalsContact CB-OH 3.26Å; A37-Y210 WeakPolarHBondContact CB-OH 3.47Å; A37-R214 PolarHBondContact O-NE 3.4Å |
| 38 | L | 93.2 | Very high | 88.2 | Confident | 64 Ų | 64 | 64 Ų | 64 | 34% | 0.335 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.6 | -38.6 | 177.5 | -75.3 | 171.8 | 0 | 0 | 0 | 112.6 | P33 S34 Y210 R214 | P33-L38 HydrophobicContact CB-CD1 3.9Å; P33-L38 HydrophobicContact CB-CD2 3.95Å; P33-L38 HydrophobicContact CB-CG 3.76Å; S34-L38 WeakPolarHBondContact O-CG 3.3Å; S34-L38 PolarHBondContact O-N 2.98Å; L38-Y210 HydrophobicContact CD2-CD1 3.87Å; L38-Y210 HydrophobicContact CD2-CE1 4.05Å; L38-Y210 HydrophobicContact CG-CE1 4.32Å; L38-R214 PolarHBondContact O-NH2 3.26Å |
| 39 | N | 92.5 | Very high | 87.5 | Confident | 126 Ų | 126 | 62.3 Ų | 62.3 | 67% | 0.674 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -102.6 | 0.7 | -173 | -62.8 | -57.6 | 0 | 0 | 0 | 114.4 | D35 D36 A41 | D35-N39 VanDerWaalsContact O-CB 3.27Å; D35-N39 WeakPolarHBondContact O-CB 3.38Å; D35-N39 PolarHBondContact O-N 2.75Å; D35-N39 PolarHBondContact O-ND2 2.89Å; D36-N39 PolarHBondContact O-N 3.46Å; N39-A41 PolarHBondContact O-N 3.44Å |
| 40 | R | 92.3 | Very high | 86.9 | Confident | 25 Ų | 25 | 65.7 Ų | 65.7 | 9% | 0.094 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -52.3 | 129.2 | -178.1 | -161.1 | 169.7 | -64.4 | 147.7 | -0.9 | 111.9 | D36 K42 K136 Y140 D167 R214 | D36-R40 WeakPolarHBondContact O-CA 3.48Å; D36-R40 WeakPolarHBondContact O-CB 3.3Å; D36-R40 PolarHBondContact O-N 2.82Å; D36-R40 IonicContact OD2-CZ 3.76Å; D36-R40 IonicContact OD2-NE 2.83Å; D36-R40 IonicContact OD2-NH2 3.6Å; D36-R40 PolarHBondContact OD2-NH2 2.85Å; R40-K42 PolarHBondContact O-N 3.23Å; R40-K136 VanDerWaalsContact CD-O 3.23Å; R40-K136 WeakPolarHBondContact CD-O 3.44Å; R40-Y140 PolarHBondContact NH1-O 2.98Å; R40-D167 IonicContact CZ-OD1 3.66Å; R40-D167 IonicContact CZ-OD2 2.83Å; R40-D167 IonicContact NH1-OD1 3.94Å; R40-D167 IonicContact NH1-OD2 3.67Å; R40-D167 PolarHBondContact NH1-OD2 2.93Å; R40-D167 VanDerWaalsContact NH2-CG 3.33Å; R40-D167 IonicContact NH2-OD1 3.49Å; R40-D167 PolarHBondContact NH2-OD1 3.22Å; R40-D167 IonicContact NH2-OD2 3.5Å; R40-D167 PolarHBondContact NH2-OD2 2.79Å; R40-R214 VanDerWaalsContact O-CZ 3.25Å; R40-R214 PolarHBondContact O-NH1 3.26Å; R40-R214 PolarHBondContact O-NH2 3Å |
| 41 | A | 88.3 | Confident | 86.7 | Confident | 53 Ų | 53 | 63.9 Ų | 63.9 | 44% | 0.438 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 134.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | N39 R43 G139 | N39-A41 PolarHBondContact O-N 3.44Å; A41-R43 HydrophobicContact CB-CG 4.39Å; A41-R43 PolarHBondContact O-N 3.3Å; A41-G139 WeakPolarHBondContact O-CA 3.29Å |
| 42 | K | 83.6 | Confident | 86.6 | Confident | 120 Ų | 120 | 63.7 Ų | 63.7 | 52% | 0.522 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 121.7 | 168.7 | -67.1 | -177.5 | 179.8 | -177.8 | 0 | 108.6 | R40 G213 | R40-K42 PolarHBondContact O-N 3.23Å; K42-G213 WeakPolarHBondContact CE-O 3.48Å; K42-G213 PolarHBondContact NZ-O 3.28Å |
| 43 | R | 83.3 | Confident | 86.6 | Confident | 185 Ų | 185 | 61.5 Ų | 61.5 | 70% | 0.698 | 35% | 0.346 | S | S | * | . | trans | -125.3 | 49.6 | -177.7 | -63.1 | 179.9 | 180 | 172.2 | 0.5 | 110.5 | A41 T138 | A41-R43 HydrophobicContact CB-CG 4.39Å; A41-R43 PolarHBondContact O-N 3.3Å; R43-T138 PolarHBondContact N-O 3.1Å | ||
| 44 | M | 76.5 | Confident | 86.7 | Confident | 41 Ų | 41 | 59.7 Ų | 59.7 | 20% | 0.202 | 33% | 0.334 | C | S | . | . | trans | -95.5 | 145.7 | 177.5 | -67.9 | -178.8 | 68.3 | 0 | 0 | 110.6 | A48 P50 Y140 L215 | M44-A48 HydrophobicContact CB-CB 4.01Å; M44-A48 HydrophobicContact CE-CB 3.48Å; M44-A48 VanDerWaalsContact CE-CB 3.48Å; M44-P50 HydrophobicContact CE-CB 4.42Å; M44-P50 HydrophobicContact SD-CB 4.32Å; M44-Y140 HydrophobicContact SD-CE2 4.03Å; M44-L215 HydrophobicContact SD-CD1 3.24Å; M44-L215 WeakPolarHBondContact SD-CD1 3.41Å | ||
| 45 | P | 74.2 | Confident | 86.9 | Confident | 63 Ų | 63 | 57.2 Ų | 57.2 | 41% | 0.409 | 32% | 0.317 | S | S | . | . | trans | -52.4 | 150.7 | 167.2 | -26.7 | 36 | 0 | 0 | 0 | 112 | D47 A48 | P45-D47 WeakPolarHBondContact CB-OD1 3.45Å; P45-D47 PolarHBondContact O-N 2.78Å; P45-A48 HydrophobicContact CB-CB 4.29Å; P45-A48 VanDerWaalsContact O-CB 3.23Å; P45-A48 WeakPolarHBondContact O-CB 3.41Å; P45-A48 PolarHBondContact O-N 2.72Å | ||
| 46 | A | 74 | Confident | 87.1 | Confident | 117 Ų | 117 | 51.2 Ų | 51.2 | 97% | 0.967 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -24.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 47 | D | 70.9 | Confident | 87.2 | Confident | 75 Ų | 75 | 46.7 Ų | 46.7 | 40% | 0.401 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -7.3 | 176.2 | 59.7 | -21 | 0 | 0 | 0 | 113.3 | P45 F346 S347 | P45-D47 WeakPolarHBondContact CB-OD1 3.45Å; P45-D47 PolarHBondContact O-N 2.78Å; D47-F346 WeakPolarHBondContact O-CB 3.38Å; D47-F346 VanDerWaalsContact OD2-O 3.08Å; D47-S347 WeakPolarHBondContact OD2-CA 2.98Å |
| 48 | A | 72.6 | Confident | 87.1 | Confident | 14 Ų | 14 | 46.7 Ų | 46.7 | 12% | 0.116 | 26% | 0.261 | C | S | . | . | trans | -68.6 | 146.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | M44 P45 P50 I344 | M44-A48 HydrophobicContact CB-CB 4.01Å; M44-A48 HydrophobicContact CE-CB 3.48Å; M44-A48 VanDerWaalsContact CE-CB 3.48Å; P45-A48 HydrophobicContact CB-CB 4.29Å; P45-A48 VanDerWaalsContact O-CB 3.23Å; P45-A48 WeakPolarHBondContact O-CB 3.41Å; P45-A48 PolarHBondContact O-N 2.72Å; A48-P50 VanDerWaalsContact O-CD 3.29Å; A48-P50 WeakPolarHBondContact O-CD 3.38Å; A48-I344 WeakPolarHBondContact CB-O 3.36Å | ||
| 49 | V | 78.3 | Confident | 87 | Confident | 19 Ų | 19 | 44.3 Ų | 44.3 | 12% | 0.115 | 25% | 0.249 | C | C | . | . | trans | -98.7 | 104 | 179.8 | -173.5 | 0 | 0 | 0 | 0 | 108.2 | L51 W311 F312 F346 | V49-L51 VanDerWaalsContact C-N 3.3Å; V49-L51 HydrophobicContact CG1-CD1 3.92Å; V49-L51 HydrophobicContact CG1-CG 4.01Å; V49-L51 PolarHBondContact O-N 2.82Å; V49-W311 HydrophobicContact CG1-CH2 3.54Å; V49-W311 HydrophobicContact CG1-CZ3 4.03Å; V49-F312 HydrophobicContact CG1-CD2 4.18Å; V49-F312 HydrophobicContact CG1-CE2 4.27Å; V49-F346 HydrophobicContact CG2-CB 3.98Å; V49-F346 HydrophobicContact CG2-CD1 4.12Å; V49-F346 HydrophobicContact CG2-CD2 3.96Å; V49-F346 HydrophobicContact CG2-CE2 4.47Å; V49-F346 HydrophobicContact CG2-CG 3.77Å | ||
| 50 | P | 81.3 | Confident | 86.7 | Confident | 76 Ų | 76 | 39 Ų | 39 | 49% | 0.494 | 22% | 0.221 | S | C | . | . | trans | -78.7 | 77.7 | -169.6 | 34.2 | -36.9 | 0 | 0 | 0 | 111 | M44 A48 L215 | M44-P50 HydrophobicContact CE-CB 4.42Å; M44-P50 HydrophobicContact SD-CB 4.32Å; A48-P50 VanDerWaalsContact O-CD 3.29Å; A48-P50 WeakPolarHBondContact O-CD 3.38Å; P50-L215 HydrophobicContact CB-CD1 4.04Å; P50-L215 HydrophobicContact CB-CD2 3.93Å; P50-L215 HydrophobicContact CB-CG 4.49Å; P50-L215 WeakPolarHBondContact O-CD2 3.14Å | ||
| 51 | L | 92 | Very high | 86.6 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -98.6 | 139.2 | 175.3 | -71.2 | 166.6 | 0 | 0 | 0 | 110.9 | V49 Y140 V275 P309 W311 F312 I343 | V49-L51 VanDerWaalsContact C-N 3.3Å; V49-L51 HydrophobicContact CG1-CD1 3.92Å; V49-L51 HydrophobicContact CG1-CG 4.01Å; V49-L51 PolarHBondContact O-N 2.82Å; L51-Y140 WeakPolarHBondContact O-CE1 3.45Å; L51-Y140 PolarHBondContact O-OH 2.83Å; L51-V275 HydrophobicContact CB-CG2 4.08Å; L51-V275 HydrophobicContact CD1-CG2 3.59Å; L51-V275 HydrophobicContact CG-CG2 4.33Å; L51-P309 HydrophobicContact CD2-CG 3.69Å; L51-W311 HydrophobicContact CD2-CH2 3.96Å; L51-W311 HydrophobicContact CD2-CZ2 3.47Å; L51-W311 VanDerWaalsContact CD2-CZ2 3.47Å; L51-W311 HydrophobicContact CG-CH2 4.34Å; L51-W311 HydrophobicContact CG-CZ2 4.32Å; L51-F312 HydrophobicContact CD1-CD2 3.72Å; L51-F312 HydrophobicContact CD1-CE2 4.04Å; L51-F312 HydrophobicContact CD1-CG 4.44Å; L51-I343 HydrophobicContact CB-CG2 4.22Å | ||
| 52 | N | 95.2 | Very high | 86.7 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.011 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 151.9 | 161.1 | -53.9 | -60.7 | 0 | 0 | 0 | 109.4 | F207 L215 K216 D273 T274 V275 | N52-F207 HydrophobicContact CB-CE1 3.96Å; N52-F207 HydrophobicContact CB-CZ 4.35Å; N52-L215 WeakPolarHBondContact OD1-CA 3.36Å; N52-K216 CarbonylContact C-O 3.51Å; N52-K216 VanDerWaalsContact CA-O 3.26Å; N52-K216 WeakPolarHBondContact CA-O 3.33Å; N52-K216 HydrophobicContact CB-CB 4.22Å; N52-K216 WeakPolarHBondContact CB-O 3.35Å; N52-K216 WeakPolarHBondContact OD1-CB 3.36Å; N52-K216 PolarHBondContact OD1-N 2.94Å; N52-D273 WeakPolarHBondContact CB-O 3.46Å; N52-D273 PolarHBondContact N-O 3.35Å; N52-D273 PolarHBondContact ND2-O 3.41Å; N52-T274 HydrophobicContact CB-CG2 3.94Å; N52-T274 WeakPolarHBondContact CB-OG1 3.36Å; N52-T274 PolarHBondContact ND2-OG1 2.71Å; N52-T274 CarbonylContact O-C 3.43Å; N52-T274 WeakPolarHBondContact O-CA 3.42Å; N52-V275 PolarHBondContact O-N 2.99Å |
| 53 | I | 97 | Very high | 87.2 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 122.7 | 178.3 | -62.9 | 170.1 | 0 | 0 | 0 | 107.3 | I55 L135 Y140 K216 F217 A218 L340 I343 | I53-I55 HydrophobicContact CG2-CD1 4.46Å; I53-I55 HydrophobicContact CG2-CG1 4.2Å; I53-L135 HydrophobicContact CD1-CD1 4.39Å; I53-L135 HydrophobicContact CD1-CD2 4.17Å; I53-Y140 HydrophobicContact CD1-CE1 4.41Å; I53-Y140 HydrophobicContact CG1-CE1 4.48Å; I53-K216 PolarHBondContact N-O 3.21Å; I53-F217 HydrophobicContact CB-CD2 3.84Å; I53-F217 HydrophobicContact CG2-CD2 3.68Å; I53-F217 HydrophobicContact CG2-CE2 3.85Å; I53-F217 CarbonylContact O-C 3.2Å; I53-F217 VanDerWaalsContact O-CA 3.28Å; I53-F217 WeakPolarHBondContact O-CA 3.29Å; I53-A218 PolarHBondContact O-N 3.26Å; I53-L340 HydrophobicContact CG2-CD2 3.82Å; I53-I343 HydrophobicContact CD1-CG2 4.46Å |
| 54 | Y | 98.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 118.4 | 175.3 | 179.7 | -151.6 | 0 | 0 | 0 | 110.5 | I56 V203 A218 Q220 H243 F247 V275 I276 V277 | Y54-I56 HydrophobicContact CD1-CD1 4.17Å; Y54-I56 HydrophobicContact CD1-CG1 4.1Å; Y54-I56 HydrophobicContact CD2-CG1 4.3Å; Y54-I56 HydrophobicContact CE1-CD1 3.49Å; Y54-I56 VanDerWaalsContact CE1-CD1 3.49Å; Y54-I56 HydrophobicContact CE1-CG1 3.6Å; Y54-I56 HydrophobicContact CE2-CG1 3.8Å; Y54-I56 HydrophobicContact CG-CG1 4.42Å; Y54-I56 VanDerWaalsContact CZ-CG1 3.42Å; Y54-V203 HydrophobicContact CD1-CG1 4.49Å; Y54-V203 HydrophobicContact CD2-CG1 4.19Å; Y54-V203 HydrophobicContact CE1-CG1 4.04Å; Y54-V203 HydrophobicContact CE2-CB 4.42Å; Y54-V203 HydrophobicContact CE2-CG1 3.75Å; Y54-V203 HydrophobicContact CE2-CG2 4.12Å; Y54-A218 WeakPolarHBondContact CA-O 3.14Å; Y54-A218 HydrophobicContact CD2-CB 3.59Å; Y54-A218 HydrophobicContact CE2-CB 4.17Å; Y54-A218 HydrophobicContact CG-CB 4.37Å; Y54-Q220 HydrophobicContact CE2-CB 3.91Å; Y54-Q220 PolarHBondContact OH-OE1 2.92Å; Y54-H243 AromaticContact CE1-CD2 3.98Å; Y54-H243 AromaticContact CE1-NE2 3.27Å; Y54-H243 VanDerWaalsContact CE1-NE2 3.27Å; Y54-H243 WeakPolarHBondContact CE1-NE2 3.39Å; Y54-H243 AromaticContact CZ-NE2 3.46Å; Y54-H243 PolarHBondContact OH-NE2 3.36Å; Y54-F247 AromaticContact CD1-CE1 3.94Å; Y54-F247 HydrophobicContact CD1-CE1 3.94Å; Y54-F247 AromaticContact CD1-CE2 3.9Å; Y54-F247 HydrophobicContact CD1-CE2 3.9Å; Y54-F247 AromaticContact CD1-CZ 3.52Å; Y54-F247 HydrophobicContact CD1-CZ 3.52Å; Y54-F247 HydrophobicContact CE1-CD2 4.41Å; Y54-F247 AromaticContact CE1-CE2 3.63Å; Y54-F247 HydrophobicContact CE1-CE2 3.63Å; Y54-F247 AromaticContact CE1-CZ 3.68Å; Y54-F247 HydrophobicContact CE1-CZ 3.68Å; Y54-F247 HydrophobicContact CG-CZ 4.41Å; Y54-V275 PolarHBondContact N-O 3.25Å; Y54-I276 HydrophobicContact CD1-CG1 4.4Å; Y54-I276 HydrophobicContact CD1-CG2 4.27Å; Y54-I276 CarbonylContact O-C 3.54Å; Y54-I276 VanDerWaalsContact O-CA 3.31Å; Y54-I276 WeakPolarHBondContact O-CA 3.4Å; Y54-V277 PolarHBondContact O-N 2.96Å |
| 55 | I | 98.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 120.6 | 178.2 | -54.5 | 176.8 | 0 | 0 | 0 | 108.4 | I53 L104 F217 A218 F219 Q220 V277 M279 L340 | I53-I55 HydrophobicContact CG2-CD1 4.46Å; I53-I55 HydrophobicContact CG2-CG1 4.2Å; I55-L104 HydrophobicContact CD1-CD2 4.49Å; I55-F217 HydrophobicContact CD1-CE2 4.17Å; I55-F217 HydrophobicContact CD1-CZ 4.44Å; I55-A218 PolarHBondContact N-O 3.29Å; I55-F219 HydrophobicContact CB-CD2 3.82Å; I55-F219 HydrophobicContact CB-CE2 4.39Å; I55-F219 HydrophobicContact CD1-CD2 4.09Å; I55-F219 HydrophobicContact CG2-CD2 3.82Å; I55-F219 HydrophobicContact CG2-CE2 3.86Å; I55-Q220 PolarHBondContact O-N 3.38Å; I55-V277 CarbonylContact C-O 3.57Å; I55-V277 WeakPolarHBondContact CA-O 3.36Å; I55-V277 HydrophobicContact CG1-CB 4.17Å; I55-V277 HydrophobicContact CG1-CG2 4.47Å; I55-V277 HydrophobicContact CG2-CB 4.4Å; I55-V277 HydrophobicContact CG2-CG1 4.48Å; I55-M279 HydrophobicContact CG2-CG 4.05Å; I55-M279 HydrophobicContact CG2-SD 3.67Å; I55-L340 HydrophobicContact CD1-CD1 3.74Å; I55-L340 HydrophobicContact CD1-CD2 4.46Å |
| 56 | I | 98.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 115.9 | 175.2 | -42.5 | -174.6 | 0 | 0 | 0 | 107.7 | Y54 F58 F200 Q220 F222 L244 I276 V277 V278 M279 | Y54-I56 HydrophobicContact CD1-CD1 4.17Å; Y54-I56 HydrophobicContact CD1-CG1 4.1Å; Y54-I56 HydrophobicContact CD2-CG1 4.3Å; Y54-I56 HydrophobicContact CE1-CD1 3.49Å; Y54-I56 VanDerWaalsContact CE1-CD1 3.49Å; Y54-I56 HydrophobicContact CE1-CG1 3.6Å; Y54-I56 HydrophobicContact CE2-CG1 3.8Å; Y54-I56 HydrophobicContact CG-CG1 4.42Å; Y54-I56 VanDerWaalsContact CZ-CG1 3.42Å; I56-F58 HydrophobicContact CG2-CE2 3.89Å; I56-F58 HydrophobicContact CG2-CZ 4.05Å; I56-F200 HydrophobicContact CG2-CE1 4.2Å; I56-Q220 CarbonylContact C-O 3.6Å; I56-Q220 WeakPolarHBondContact CA-O 3.34Å; I56-F222 HydrophobicContact CG2-CE2 4.03Å; I56-L244 HydrophobicContact CD1-CD2 4.12Å; I56-I276 HydrophobicContact CD1-CG2 4.03Å; I56-I276 HydrophobicContact CG1-CG2 4.29Å; I56-V277 PolarHBondContact N-O 3.24Å; I56-V278 HydrophobicContact CD1-CG2 4.3Å; I56-V278 CarbonylContact O-C 3.53Å; I56-V278 WeakPolarHBondContact O-CA 3.36Å; I56-M279 PolarHBondContact O-N 3.12Å |
| 57 | G | 96.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 139.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q220 F221 F222 M279 | G57-Q220 PolarHBondContact N-O 3.16Å; G57-F221 VanDerWaalsContact CA-CD2 3.49Å; G57-F221 CarbonylContact O-C 3.52Å; G57-F221 WeakPolarHBondContact O-CA 3.26Å; G57-F222 WeakPolarHBondContact O-CD2 3.23Å; G57-F222 PolarHBondContact O-N 3.11Å; G57-M279 CarbonylContact C-O 3.53Å; G57-M279 VanDerWaalsContact CA-O 3.26Å; G57-M279 WeakPolarHBondContact CA-O 3.2Å |
| 58 | F | 93.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 125.3 | 172.4 | -60.8 | -86.3 | 0 | 0 | 0 | 110.4 | I56 V61 F66 M70 F200 F222 F225 I233 A236 T240 V278 M279 S280 | I56-F58 HydrophobicContact CG2-CE2 3.89Å; I56-F58 HydrophobicContact CG2-CZ 4.05Å; F58-V61 HydrophobicContact CB-CG2 4.01Å; F58-F66 HydrophobicContact CD2-CE2 4.2Å; F58-F66 HydrophobicContact CE2-CE2 4.29Å; F58-M70 HydrophobicContact CE1-CE 4.49Å; F58-M70 HydrophobicContact CZ-CE 4.26Å; F58-F200 HydrophobicContact CZ-CZ 4.37Å; F58-F222 HydrophobicContact CD1-CB 4.17Å; F58-F222 HydrophobicContact CD1-CD2 4.09Å; F58-F222 HydrophobicContact CD1-CG 4.46Å; F58-F222 AromaticContact CE1-CD2 3.82Å; F58-F222 HydrophobicContact CE1-CD2 3.82Å; F58-F222 HydrophobicContact CE1-CE2 4.35Å; F58-F222 HydrophobicContact CE1-CG 4.39Å; F58-F222 HydrophobicContact CZ-CD2 4.35Å; F58-F225 HydrophobicContact CD1-CD2 4.16Å; F58-F225 AromaticContact CD1-CE2 3.81Å; F58-F225 HydrophobicContact CD1-CE2 3.81Å; F58-F225 HydrophobicContact CE1-CE2 4.03Å; F58-I233 HydrophobicContact CB-CD1 4.32Å; F58-I233 HydrophobicContact CD1-CD1 3.67Å; F58-I233 HydrophobicContact CE1-CD1 4.33Å; F58-I233 HydrophobicContact CG-CD1 4.23Å; F58-A236 HydrophobicContact CE1-CB 4.12Å; F58-T240 HydrophobicContact CZ-CG2 4.06Å; F58-V278 HydrophobicContact CD2-CG1 4.49Å; F58-V278 HydrophobicContact CE2-CG1 4.04Å; F58-M279 PolarHBondContact N-O 2.84Å; F58-S280 VanDerWaalsContact O-CA 3.24Å; F58-S280 WeakPolarHBondContact O-CA 3.32Å; F58-S280 WeakPolarHBondContact O-CB 3.34Å; F58-S280 PolarHBondContact O-OG 2.84Å |
| 59 | D | 89.9 | Confident | 92.1 | Very high | 15 Ų | 15 | 22.6 Ų | 22.6 | 8% | 0.08 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 131.5 | -178.4 | -172.2 | 25.3 | 0 | 0 | 0 | 112.3 | V61 F221 F222 V223 D281 | D59-V61 PolarHBondContact O-N 3.21Å; D59-F221 HydrophobicContact CB-CE1 3.88Å; D59-F222 WeakPolarHBondContact CB-O 3.11Å; D59-F222 PolarHBondContact N-O 2.69Å; D59-V223 HydrophobicContact CB-CB 4.49Å; D59-D281 WeakPolarHBondContact CA-OD1 3.49Å |
| 60 | T | 87.5 | Confident | 92.9 | Very high | 14 Ų | 14 | 21.7 Ų | 21.7 | 9% | 0.086 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 40.8 | 171.7 | 66.5 | 0 | 0 | 0 | 0 | 116.6 | K226 D281 Q282 G283 S284 | T60-K226 WeakPolarHBondContact O-CE 3.42Å; T60-K226 PolarHBondContact O-NZ 3.17Å; T60-K226 WeakPolarHBondContact OG1-CB 3.44Å; T60-K226 WeakPolarHBondContact OG1-CD 3.27Å; T60-K226 WeakPolarHBondContact OG1-CG 2.99Å; T60-D281 PolarHBondContact N-OD1 3.27Å; T60-Q282 CarbonylContact C-O 3.58Å; T60-Q282 WeakPolarHBondContact CA-O 3.47Å; T60-Q282 HydrophobicContact CG2-CG 4.09Å; T60-G283 WeakPolarHBondContact CA-O 3.43Å; T60-G283 WeakPolarHBondContact CB-O 3.43Å; T60-G283 CarbonylContact O-C 3.46Å; T60-S284 PolarHBondContact O-N 3.19Å |
| 61 | V | 89.4 | Confident | 93.7 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -111.9 | 116.7 | 175.7 | -172.4 | 0 | 0 | 0 | 0 | 111.1 | F58 D59 E65 F66 I233 S280 Q282 F303 | F58-V61 HydrophobicContact CB-CG2 4.01Å; D59-V61 PolarHBondContact O-N 3.21Å; V61-E65 HydrophobicContact CG1-CB 4.25Å; V61-E65 HydrophobicContact CG1-CG 4.28Å; V61-F66 HydrophobicContact CG1-CB 3.89Å; V61-F66 HydrophobicContact CG1-CD2 4.1Å; V61-I233 HydrophobicContact CG2-CD1 3.99Å; V61-I233 HydrophobicContact CG2-CG1 3.92Å; V61-S280 WeakPolarHBondContact CB-OG 3.37Å; V61-S280 WeakPolarHBondContact O-CB 3.23Å; V61-S280 PolarHBondContact O-OG 3.02Å; V61-Q282 CarbonylContact C-O 3.55Å; V61-Q282 PolarHBondContact N-O 3.07Å; V61-F303 PolarHBondContact O-N 3.33Å | ||
| 62 | S | 90.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | B | Isolated β-bridge | trans | -71.8 | 158.6 | 174.3 | 79.6 | 0 | 0 | 0 | 0 | 110.9 | L64 E65 F66 E298 | S62-L64 VanDerWaalsContact C-N 3.29Å; S62-L64 PolarHBondContact O-N 3.09Å; S62-E65 PolarHBondContact O-N 3.33Å; S62-E65 WeakPolarHBondContact OG-CB 3.48Å; S62-E65 PolarHBondContact OG-N 3.36Å; S62-F66 WeakPolarHBondContact O-CB 3.47Å; S62-F66 PolarHBondContact O-N 3.03Å; S62-E298 WeakPolarHBondContact CB-O 3.26Å; S62-E298 PolarHBondContact OG-OE2 3.46Å |
| 63 | R | 93.2 | Very high | 94.1 | Very high | 46 Ų | 46 | 29.5 Ų | 29.5 | 17% | 0.174 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -54.4 | -46.5 | 173.9 | 179.2 | 174.3 | 65.3 | 130.5 | -8.9 | 111.7 | F66 M67 E87 N301 F303 | R63-F66 WeakPolarHBondContact O-CB 3.43Å; R63-F66 PolarHBondContact O-N 3.13Å; R63-M67 HydrophobicContact CG-SD 4.23Å; R63-M67 VanDerWaalsContact O-CG 3.27Å; R63-M67 WeakPolarHBondContact O-CG 3.43Å; R63-M67 PolarHBondContact O-N 3.24Å; R63-E87 PolarHBondContact NE-O 3.14Å; R63-E87 VanDerWaalsContact NH1-CG 3.35Å; R63-E87 IonicContact NH1-OE2 3.98Å; R63-E87 PolarHBondContact NH2-O 2.97Å; R63-N301 WeakPolarHBondContact CB-O 3.29Å; R63-N301 PolarHBondContact N-O 3.23Å; R63-F303 HydrophobicContact CG-CD2 4.32Å |
| 64 | L | 91.8 | Very high | 94.1 | Very high | 61 Ų | 61 | 32.2 Ų | 32.2 | 32% | 0.319 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -69.9 | -35.7 | -179.4 | -65.3 | -178.6 | 0 | 0 | 0 | 111.9 | S62 M67 R68 E298 | S62-L64 VanDerWaalsContact C-N 3.29Å; S62-L64 PolarHBondContact O-N 3.09Å; L64-M67 HydrophobicContact CD2-SD 4.18Å; L64-M67 PolarHBondContact O-N 2.89Å; L64-R68 WeakPolarHBondContact O-CB 3.36Å; L64-R68 VanDerWaalsContact O-CG 3.22Å; L64-R68 WeakPolarHBondContact O-CG 3.41Å; L64-R68 PolarHBondContact O-N 3.07Å; L64-R68 PolarHBondContact O-NE 3.24Å; L64-E298 HydrophobicContact CB-CG 4.43Å; L64-E298 HydrophobicContact CD1-CG 4.09Å |
| 65 | E | 90 | Very high | 94.1 | Very high | 9 Ų | 9 | 38.1 Ų | 38.1 | 4% | 0.042 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65 | -45.1 | 173.3 | -174.9 | 176.7 | -171.1 | 0 | 0 | 111.8 | V61 S62 M67 R68 K69 K226 | V61-E65 HydrophobicContact CG1-CB 4.25Å; V61-E65 HydrophobicContact CG1-CG 4.28Å; S62-E65 PolarHBondContact O-N 3.33Å; S62-E65 WeakPolarHBondContact OG-CB 3.48Å; S62-E65 PolarHBondContact OG-N 3.36Å; E65-M67 VanDerWaalsContact C-N 3.31Å; E65-M67 PolarHBondContact O-N 3.45Å; E65-R68 CarbonylContact O-C 3.22Å; E65-R68 PolarHBondContact O-N 3Å; E65-K69 HydrophobicContact CG-CB 4.48Å; E65-K69 HydrophobicContact CG-CG 3.76Å; E65-K69 VanDerWaalsContact O-CB 3.31Å; E65-K69 WeakPolarHBondContact O-CB 3.48Å; E65-K69 WeakPolarHBondContact O-CG 3.5Å; E65-K69 PolarHBondContact O-N 3.05Å; E65-K226 VanDerWaalsContact OE1-CE 3.27Å; E65-K226 WeakPolarHBondContact OE1-CE 3.41Å; E65-K226 IonicContact OE1-NZ 3.56Å; E65-K226 PolarHBondContact OE1-NZ 2.73Å; E65-K226 IonicContact OE2-NZ 3.83Å; E65-K226 PolarHBondContact OE2-NZ 3.17Å |
| 66 | F | 93.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -54.4 | -50.2 | 174.1 | -164.6 | -80.4 | 0 | 0 | 0 | 110.2 | F58 V61 S62 R63 R68 K69 M70 T73 Y74 I77 V278 F303 | F58-F66 HydrophobicContact CD2-CE2 4.2Å; F58-F66 HydrophobicContact CE2-CE2 4.29Å; V61-F66 HydrophobicContact CG1-CB 3.89Å; V61-F66 HydrophobicContact CG1-CD2 4.1Å; S62-F66 WeakPolarHBondContact O-CB 3.47Å; S62-F66 PolarHBondContact O-N 3.03Å; R63-F66 WeakPolarHBondContact O-CB 3.43Å; R63-F66 PolarHBondContact O-N 3.13Å; F66-R68 VanDerWaalsContact C-N 3.28Å; F66-R68 PolarHBondContact O-N 2.74Å; F66-K69 PolarHBondContact O-N 3.28Å; F66-M70 HydrophobicContact CD1-CB 3.9Å; F66-M70 HydrophobicContact CD2-CB 4.2Å; F66-M70 HydrophobicContact CD2-CG 4.06Å; F66-M70 HydrophobicContact CE1-CB 3.85Å; F66-M70 HydrophobicContact CE2-CB 4.15Å; F66-M70 HydrophobicContact CE2-CE 4.4Å; F66-M70 HydrophobicContact CE2-CG 4.07Å; F66-M70 HydrophobicContact CG-CB 4.08Å; F66-M70 HydrophobicContact CG-CG 4.34Å; F66-M70 HydrophobicContact CZ-CB 3.98Å; F66-M70 HydrophobicContact CZ-CE 4.47Å; F66-M70 HydrophobicContact CZ-CG 4.36Å; F66-M70 CarbonylContact O-C 3.58Å; F66-M70 VanDerWaalsContact O-CA 3.31Å; F66-M70 WeakPolarHBondContact O-CA 3.49Å; F66-M70 VanDerWaalsContact O-CB 3.28Å; F66-M70 WeakPolarHBondContact O-CB 3.45Å; F66-M70 PolarHBondContact O-N 3.18Å; F66-T73 HydrophobicContact CE1-CG2 4.14Å; F66-T73 HydrophobicContact CZ-CG2 3.74Å; F66-Y74 HydrophobicContact CD1-CD2 4.26Å; F66-I77 HydrophobicContact CE1-CD1 4.47Å; F66-I77 HydrophobicContact CZ-CD1 4.42Å; F66-V278 HydrophobicContact CE2-CG1 4.36Å; F66-V278 HydrophobicContact CZ-CG1 4.2Å; F66-F303 HydrophobicContact CB-CB 3.88Å; F66-F303 HydrophobicContact CB-CD2 3.77Å; F66-F303 HydrophobicContact CB-CE2 4.5Å; F66-F303 HydrophobicContact CB-CG 3.86Å; F66-F303 HydrophobicContact CD1-CD1 4.04Å; F66-F303 AromaticContact CD1-CD2 3.6Å; F66-F303 HydrophobicContact CD1-CD2 3.6Å; F66-F303 AromaticContact CD1-CE1 3.94Å; F66-F303 HydrophobicContact CD1-CE1 3.94Å; F66-F303 AromaticContact CD1-CE2 3.51Å; F66-F303 HydrophobicContact CD1-CE2 3.51Å; F66-F303 AromaticContact CD1-CG 3.87Å; F66-F303 HydrophobicContact CD1-CG 3.87Å; F66-F303 AromaticContact CD1-CZ 3.67Å; F66-F303 HydrophobicContact CD1-CZ 3.67Å; F66-F303 HydrophobicContact CD2-CB 3.99Å; F66-F303 AromaticContact CD2-CD1 3.75Å; F66-F303 HydrophobicContact CD2-CD1 3.75Å; F66-F303 HydrophobicContact CD2-CD2 4.3Å; F66-F303 HydrophobicContact CD2-CE1 4.28Å; F66-F303 AromaticContact CD2-CG 3.75Å; F66-F303 HydrophobicContact CD2-CG 3.75Å; F66-F303 HydrophobicContact CE1-CD1 4.06Å; F66-F303 HydrophobicContact CE1-CD2 4.27Å; F66-F303 AromaticContact CE1-CE1 3.61Å; F66-F303 HydrophobicContact CE1-CE1 3.61Å; F66-F303 AromaticContact CE1-CE2 3.86Å; F66-F303 HydrophobicContact CE1-CE2 3.86Å; F66-F303 HydrophobicContact CE1-CG 4.36Å; F66-F303 AromaticContact CE1-CZ 3.5Å; F66-F303 HydrophobicContact CE1-CZ 3.5Å; F66-F303 VanDerWaalsContact CE1-CZ 3.5Å; F66-F303 AromaticContact CE2-CD1 3.77Å; F66-F303 HydrophobicContact CE2-CD1 3.77Å; F66-F303 AromaticContact CE2-CE1 3.98Å; F66-F303 HydrophobicContact CE2-CE1 3.98Å; F66-F303 HydrophobicContact CE2-CG 4.25Å; F66-F303 HydrophobicContact CG-CB 3.97Å; F66-F303 AromaticContact CG-CD1 3.89Å; F66-F303 HydrophobicContact CG-CD1 3.89Å; F66-F303 AromaticContact CG-CD2 3.62Å; F66-F303 HydrophobicContact CG-CD2 3.62Å; F66-F303 HydrophobicContact CG-CE1 4.27Å; F66-F303 HydrophobicContact CG-CE2 4.04Å; F66-F303 AromaticContact CG-CG 3.54Å; F66-F303 HydrophobicContact CG-CG 3.54Å; F66-F303 HydrophobicContact CG-CZ 4.33Å; F66-F303 AromaticContact CZ-CD1 3.92Å; F66-F303 HydrophobicContact CZ-CD1 3.92Å; F66-F303 AromaticContact CZ-CE1 3.63Å; F66-F303 HydrophobicContact CZ-CE1 3.63Å; F66-F303 HydrophobicContact CZ-CZ 4.03Å |
| 67 | M | 94.3 | Very high | 94.1 | Very high | 66 Ų | 66 | 38.9 Ų | 38.9 | 33% | 0.325 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -58.9 | -35.9 | 176.4 | -69 | 171.1 | 71.4 | 0 | 0 | 113.3 | R63 L64 E65 K71 Y74 | R63-M67 HydrophobicContact CG-SD 4.23Å; R63-M67 VanDerWaalsContact O-CG 3.27Å; R63-M67 WeakPolarHBondContact O-CG 3.43Å; R63-M67 PolarHBondContact O-N 3.24Å; L64-M67 HydrophobicContact CD2-SD 4.18Å; L64-M67 PolarHBondContact O-N 2.89Å; E65-M67 VanDerWaalsContact C-N 3.31Å; E65-M67 PolarHBondContact O-N 3.45Å; M67-K71 WeakPolarHBondContact O-CG 3.41Å; M67-Y74 HydrophobicContact CE-CE1 4.36Å; M67-Y74 HydrophobicContact CG-CD2 3.74Å; M67-Y74 HydrophobicContact CG-CE1 4.37Å; M67-Y74 HydrophobicContact CG-CE2 3.56Å; M67-Y74 HydrophobicContact CG-CG 4.22Å; M67-Y74 HydrophobicContact SD-CE2 4.27Å |
| 68 | R | 93.1 | Very high | 94.2 | Very high | 115 Ų | 115 | 40.4 Ų | 40.4 | 43% | 0.434 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -83.3 | -31.4 | -178.1 | -71 | 179.7 | -54 | -121.7 | 0.2 | 113.6 | L64 E65 F66 K71 E298 | L64-R68 WeakPolarHBondContact O-CB 3.36Å; L64-R68 VanDerWaalsContact O-CG 3.22Å; L64-R68 WeakPolarHBondContact O-CG 3.41Å; L64-R68 PolarHBondContact O-N 3.07Å; L64-R68 PolarHBondContact O-NE 3.24Å; E65-R68 CarbonylContact O-C 3.22Å; E65-R68 PolarHBondContact O-N 3Å; F66-R68 VanDerWaalsContact C-N 3.28Å; F66-R68 PolarHBondContact O-N 2.74Å; R68-K71 WeakPolarHBondContact O-CE 3.01Å; R68-E298 IonicContact CZ-OE1 3.29Å; R68-E298 IonicContact CZ-OE2 2.95Å; R68-E298 IonicContact NH1-OE1 3.08Å; R68-E298 PolarHBondContact NH1-OE1 3.1Å; R68-E298 IonicContact NH1-OE2 3.57Å; R68-E298 VanDerWaalsContact NH2-CD 3.32Å; R68-E298 IonicContact NH2-OE1 3.08Å; R68-E298 PolarHBondContact NH2-OE1 3.27Å; R68-E298 VanDerWaalsContact NH2-OE1 3.1Å; R68-E298 IonicContact NH2-OE2 3.89Å; R68-E298 PolarHBondContact NH2-OE2 2.85Å |
| 69 | K | 92.5 | Very high | 94.3 | Very high | 52 Ų | 52 | 43.9 Ų | 43.9 | 23% | 0.226 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -111.2 | -29.2 | -168.7 | -57.3 | -70.5 | -176.1 | 175.1 | 0 | 113.2 | E65 F66 N231 I233 K234 | E65-K69 HydrophobicContact CG-CB 4.48Å; E65-K69 HydrophobicContact CG-CG 3.76Å; E65-K69 VanDerWaalsContact O-CB 3.31Å; E65-K69 WeakPolarHBondContact O-CB 3.48Å; E65-K69 WeakPolarHBondContact O-CG 3.5Å; E65-K69 PolarHBondContact O-N 3.05Å; F66-K69 PolarHBondContact O-N 3.28Å; K69-N231 PolarHBondContact NZ-OD1 2.72Å; K69-I233 HydrophobicContact CB-CG2 3.71Å; K69-I233 HydrophobicContact CG-CG2 4.21Å; K69-K234 HydrophobicContact CB-CG 3.94Å; K69-K234 HydrophobicContact CD-CD 4.21Å; K69-K234 HydrophobicContact CD-CG 3.93Å; K69-K234 HydrophobicContact CG-CG 4.49Å |
| 70 | M | 95.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -107.9 | 50.5 | 176.7 | -63.1 | -71 | -77.4 | 0 | 0 | 110.1 | F58 F66 Q72 T73 Y74 I233 A236 D237 T240 | F58-M70 HydrophobicContact CE1-CE 4.49Å; F58-M70 HydrophobicContact CZ-CE 4.26Å; F66-M70 HydrophobicContact CD1-CB 3.9Å; F66-M70 HydrophobicContact CD2-CB 4.2Å; F66-M70 HydrophobicContact CD2-CG 4.06Å; F66-M70 HydrophobicContact CE1-CB 3.85Å; F66-M70 HydrophobicContact CE2-CB 4.15Å; F66-M70 HydrophobicContact CE2-CE 4.4Å; F66-M70 HydrophobicContact CE2-CG 4.07Å; F66-M70 HydrophobicContact CG-CB 4.08Å; F66-M70 HydrophobicContact CG-CG 4.34Å; F66-M70 HydrophobicContact CZ-CB 3.98Å; F66-M70 HydrophobicContact CZ-CE 4.47Å; F66-M70 HydrophobicContact CZ-CG 4.36Å; F66-M70 CarbonylContact O-C 3.58Å; F66-M70 VanDerWaalsContact O-CA 3.31Å; F66-M70 WeakPolarHBondContact O-CA 3.49Å; F66-M70 VanDerWaalsContact O-CB 3.28Å; F66-M70 WeakPolarHBondContact O-CB 3.45Å; F66-M70 PolarHBondContact O-N 3.18Å; M70-Q72 PolarHBondContact O-N 3.49Å; M70-T73 HydrophobicContact CE-CG2 4.27Å; M70-T73 WeakPolarHBondContact CE-OG1 3.41Å; M70-T73 PolarHBondContact O-N 3.36Å; M70-Y74 VanDerWaalsContact O-CB 3.32Å; M70-Y74 WeakPolarHBondContact O-CB 3.35Å; M70-Y74 PolarHBondContact O-N 3.15Å; M70-I233 HydrophobicContact CG-CG1 3.98Å; M70-I233 HydrophobicContact SD-CD1 4.44Å; M70-I233 HydrophobicContact SD-CG1 3.96Å; M70-A236 HydrophobicContact CE-CB 3.73Å; M70-A236 HydrophobicContact SD-CB 3.87Å; M70-D237 VanDerWaalsContact CA-OD1 3.29Å; M70-D237 WeakPolarHBondContact CA-OD1 3.18Å; M70-D237 VanDerWaalsContact SD-CA 3.51Å; M70-D237 HydrophobicContact SD-CB 3.8Å; M70-D237 PolarHBondContact SD-N 2.86Å; M70-D237 VanDerWaalsContact SD-N 3.43Å; M70-T240 WeakPolarHBondContact CE-OG1 3.39Å |
| 71 | K | 96.8 | Very high | 94.9 | Very high | 141 Ų | 141 | 48.9 Ų | 48.9 | 61% | 0.613 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -63.9 | -43 | -168.2 | -71.2 | -176 | 179.4 | -173.6 | 0 | 112.3 | M67 R68 K75 D237 | M67-K71 WeakPolarHBondContact O-CG 3.41Å; R68-K71 WeakPolarHBondContact O-CE 3.01Å; K71-K75 WeakPolarHBondContact O-CB 3.31Å; K71-K75 PolarHBondContact O-N 3.44Å; K71-D237 PolarHBondContact N-OD1 2.88Å; K71-D237 PolarHBondContact N-OD2 2.91Å |
| 72 | Q | 98 | Very high | 95.2 | Very high | 100 Ų | 100 | 55.2 Ų | 55.2 | 47% | 0.467 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -70.2 | -41.2 | -178.3 | -63.3 | 171.1 | 90 | 0 | 0 | 110.2 | M70 K75 Y76 D237 V241 | M70-Q72 PolarHBondContact O-N 3.49Å; Q72-K75 PolarHBondContact O-N 2.92Å; Q72-Y76 WeakPolarHBondContact O-CB 3.47Å; Q72-Y76 PolarHBondContact O-N 3.46Å; Q72-D237 WeakPolarHBondContact CB-OD2 3.45Å; Q72-D237 PolarHBondContact N-OD1 3.16Å; Q72-D237 VanDerWaalsContact N-OD1 3.14Å; Q72-D237 PolarHBondContact N-OD2 3.12Å; Q72-D237 PolarHBondContact NE2-OD2 2.49Å; Q72-V241 HydrophobicContact CB-CG2 3.84Å |
| 73 | T | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61 | -50.1 | 175.1 | -53.9 | 0 | 0 | 0 | 0 | 110.8 | F66 M70 K75 Y76 I77 D237 T240 L244 | F66-T73 HydrophobicContact CE1-CG2 4.14Å; F66-T73 HydrophobicContact CZ-CG2 3.74Å; M70-T73 HydrophobicContact CE-CG2 4.27Å; M70-T73 WeakPolarHBondContact CE-OG1 3.41Å; M70-T73 PolarHBondContact O-N 3.36Å; T73-K75 VanDerWaalsContact C-N 3.31Å; T73-K75 PolarHBondContact O-N 2.98Å; T73-Y76 PolarHBondContact O-N 3.24Å; T73-I77 HydrophobicContact CG2-CD1 3.84Å; T73-I77 HydrophobicContact CG2-CG1 4.42Å; T73-I77 WeakPolarHBondContact O-CB 3.43Å; T73-I77 VanDerWaalsContact O-CG1 3.26Å; T73-I77 WeakPolarHBondContact O-CG1 3.48Å; T73-I77 PolarHBondContact O-N 3.14Å; T73-D237 WeakPolarHBondContact CB-OD1 3.24Å; T73-D237 PolarHBondContact N-OD1 2.95Å; T73-D237 PolarHBondContact OG1-O 3.2Å; T73-D237 PolarHBondContact OG1-OD1 3.33Å; T73-T240 HydrophobicContact CG2-CG2 3.56Å; T73-L244 HydrophobicContact CG2-CD1 4.28Å |
| 74 | Y | 98.3 | Very high | 95.7 | Very high | 58 Ų | 58 | 54 Ų | 54 | 23% | 0.227 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.5 | -46.1 | 177.6 | -178.4 | -95.1 | 0 | 0 | 0 | 111.4 | F66 M67 M70 I77 T78 I85 F303 | F66-Y74 HydrophobicContact CD1-CD2 4.26Å; M67-Y74 HydrophobicContact CE-CE1 4.36Å; M67-Y74 HydrophobicContact CG-CD2 3.74Å; M67-Y74 HydrophobicContact CG-CE1 4.37Å; M67-Y74 HydrophobicContact CG-CE2 3.56Å; M67-Y74 HydrophobicContact CG-CG 4.22Å; M67-Y74 HydrophobicContact SD-CE2 4.27Å; M70-Y74 VanDerWaalsContact O-CB 3.32Å; M70-Y74 WeakPolarHBondContact O-CB 3.35Å; M70-Y74 PolarHBondContact O-N 3.15Å; Y74-I77 PolarHBondContact O-N 2.99Å; Y74-T78 HydrophobicContact CD1-CG2 4.47Å; Y74-T78 HydrophobicContact CE1-CG2 4.06Å; Y74-T78 HydrophobicContact CE2-CG2 4.18Å; Y74-T78 WeakPolarHBondContact O-CB 3.43Å; Y74-T78 WeakPolarHBondContact O-CG2 3.48Å; Y74-T78 PolarHBondContact O-N 2.75Å; Y74-T78 PolarHBondContact O-OG1 3.35Å; Y74-I85 HydrophobicContact CE2-CD1 4.09Å; Y74-I85 HydrophobicContact CE2-CG1 3.98Å; Y74-F303 AromaticContact CD2-CE2 3.76Å; Y74-F303 HydrophobicContact CD2-CE2 3.76Å; Y74-F303 HydrophobicContact CD2-CZ 4.25Å; Y74-F303 AromaticContact CE2-CE2 4Å; Y74-F303 HydrophobicContact CE2-CE2 4Å |
| 75 | K | 98.2 | Very high | 96 | Very high | 123 Ų | 123 | 51.8 Ų | 51.8 | 54% | 0.535 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.8 | -47.2 | 176.7 | -168.4 | -176.2 | 177.2 | -175.3 | 0 | 111.5 | K71 Q72 T73 I77 T78 D79 | K71-K75 WeakPolarHBondContact O-CB 3.31Å; K71-K75 PolarHBondContact O-N 3.44Å; Q72-K75 PolarHBondContact O-N 2.92Å; T73-K75 VanDerWaalsContact C-N 3.31Å; T73-K75 PolarHBondContact O-N 2.98Å; K75-I77 PolarHBondContact O-N 3.39Å; K75-T78 PolarHBondContact O-N 2.85Å; K75-T78 PolarHBondContact O-OG1 2.85Å; K75-D79 WeakPolarHBondContact CE-OD2 3.29Å; K75-D79 HydrophobicContact CG-CB 4.29Å; K75-D79 WeakPolarHBondContact CG-OD2 3.32Å; K75-D79 WeakPolarHBondContact O-CA 3.43Å; K75-D79 VanDerWaalsContact O-CB 3.25Å; K75-D79 WeakPolarHBondContact O-CB 3.46Å; K75-D79 PolarHBondContact O-N 3.2Å |
| 76 | Y | 98.1 | Very high | 96.4 | Very high | 17 Ų | 17 | 51.4 Ų | 51.4 | 7% | 0.067 | 24% | 0.235 | C | C | . | . | I | π-helix | trans | -61.9 | -43.2 | 179.7 | -170 | -106.7 | 0 | 0 | 0 | 111.9 | Q72 T73 T78 E80 L81 V241 L244 K245 N248 | Q72-Y76 WeakPolarHBondContact O-CB 3.47Å; Q72-Y76 PolarHBondContact O-N 3.46Å; T73-Y76 PolarHBondContact O-N 3.24Å; Y76-T78 PolarHBondContact O-N 3.41Å; Y76-E80 HydrophobicContact CD2-CB 3.7Å; Y76-E80 HydrophobicContact CD2-CG 3.48Å; Y76-E80 VanDerWaalsContact CD2-CG 3.48Å; Y76-E80 HydrophobicContact CE2-CB 3.67Å; Y76-E80 HydrophobicContact CE2-CG 3.71Å; Y76-E80 HydrophobicContact CG-CB 4.35Å; Y76-E80 HydrophobicContact CG-CG 4.39Å; Y76-E80 WeakPolarHBondContact O-CB 3.4Å; Y76-E80 PolarHBondContact O-N 3.47Å; Y76-E80 VanDerWaalsContact O-N 3.1Å; Y76-L81 HydrophobicContact CD1-CD1 3.89Å; Y76-L81 HydrophobicContact CD1-CG 3.99Å; Y76-L81 HydrophobicContact CE1-CD1 3.71Å; Y76-L81 HydrophobicContact CE1-CD2 3.78Å; Y76-L81 HydrophobicContact CE1-CG 3.73Å; Y76-L81 PolarHBondContact O-N 2.92Å; Y76-V241 HydrophobicContact CD2-CG1 4.36Å; Y76-V241 HydrophobicContact CG-CG1 4.19Å; Y76-L244 HydrophobicContact CD1-CB 3.81Å; Y76-L244 HydrophobicContact CD1-CD1 4.18Å; Y76-L244 HydrophobicContact CE1-CB 3.61Å; Y76-K245 HydrophobicContact CE1-CG 4.06Å; Y76-K245 HydrophobicContact CE2-CG 3.85Å; Y76-K245 VanDerWaalsContact CZ-CG 3.47Å; Y76-K245 VanDerWaalsContact OH-CG 3.3Å; Y76-K245 WeakPolarHBondContact OH-CG 3.38Å; Y76-N248 PolarHBondContact OH-ND2 3.46Å |
| 77 | I | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -59.9 | -45.8 | 175.4 | -69.1 | 171.1 | 0 | 0 | 0 | 111.3 | F66 T73 Y74 K75 K82 G83 I85 L244 V278 F303 A305 I307 | F66-I77 HydrophobicContact CE1-CD1 4.47Å; F66-I77 HydrophobicContact CZ-CD1 4.42Å; T73-I77 HydrophobicContact CG2-CD1 3.84Å; T73-I77 HydrophobicContact CG2-CG1 4.42Å; T73-I77 WeakPolarHBondContact O-CB 3.43Å; T73-I77 VanDerWaalsContact O-CG1 3.26Å; T73-I77 WeakPolarHBondContact O-CG1 3.48Å; T73-I77 PolarHBondContact O-N 3.14Å; Y74-I77 PolarHBondContact O-N 2.99Å; K75-I77 PolarHBondContact O-N 3.39Å; I77-K82 PolarHBondContact O-N 3.44Å; I77-G83 PolarHBondContact O-N 2.78Å; I77-I85 HydrophobicContact CG2-CD1 4Å; I77-L244 HydrophobicContact CD1-CD1 4.2Å; I77-L244 HydrophobicContact CG1-CD1 3.77Å; I77-V278 HydrophobicContact CD1-CB 4.23Å; I77-V278 HydrophobicContact CD1-CG1 4.24Å; I77-V278 HydrophobicContact CD1-CG2 4.03Å; I77-F303 HydrophobicContact CD1-CE1 4.32Å; I77-F303 HydrophobicContact CD1-CZ 4.31Å; I77-A305 HydrophobicContact CG2-CB 3.95Å; I77-I307 HydrophobicContact CG1-CD1 4.26Å; I77-I307 HydrophobicContact CG2-CD1 4.33Å; I77-I307 HydrophobicContact CG2-CG1 4.32Å |
| 78 | T | 97.4 | Very high | 96.4 | Very high | 32 Ų | 32 | 56 Ų | 56 | 20% | 0.196 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -82 | -48 | -172.9 | 48.3 | 0 | 0 | 0 | 0 | 113 | Y74 K75 Y76 I85 | Y74-T78 HydrophobicContact CD1-CG2 4.47Å; Y74-T78 HydrophobicContact CE1-CG2 4.06Å; Y74-T78 HydrophobicContact CE2-CG2 4.18Å; Y74-T78 WeakPolarHBondContact O-CB 3.43Å; Y74-T78 WeakPolarHBondContact O-CG2 3.48Å; Y74-T78 PolarHBondContact O-N 2.75Å; Y74-T78 PolarHBondContact O-OG1 3.35Å; K75-T78 PolarHBondContact O-N 2.85Å; K75-T78 PolarHBondContact O-OG1 2.85Å; Y76-T78 PolarHBondContact O-N 3.41Å; T78-I85 HydrophobicContact CG2-CD1 3.91Å; T78-I85 HydrophobicContact CG2-CG1 3.73Å |
| 79 | D | 97.2 | Very high | 96.5 | Very high | 72 Ų | 72 | 50.6 Ų | 50.6 | 39% | 0.385 | 24% | 0.237 | S | C | . | . | I | π-helix | trans | -84.2 | -43.3 | -173.1 | -66.5 | -11.8 | 0 | 0 | 0 | 112.1 | K75 K82 | K75-D79 WeakPolarHBondContact CE-OD2 3.29Å; K75-D79 HydrophobicContact CG-CB 4.29Å; K75-D79 WeakPolarHBondContact CG-OD2 3.32Å; K75-D79 WeakPolarHBondContact O-CA 3.43Å; K75-D79 VanDerWaalsContact O-CB 3.25Å; K75-D79 WeakPolarHBondContact O-CB 3.46Å; K75-D79 PolarHBondContact O-N 3.2Å; D79-K82 WeakPolarHBondContact O-CD 3.37Å; D79-K82 WeakPolarHBondContact O-CE 3.37Å; D79-K82 PolarHBondContact O-NZ 2.92Å |
| 80 | E | 94.5 | Very high | 96.6 | Very high | 124 Ų | 124 | 48.1 Ų | 48.1 | 58% | 0.579 | 23% | 0.226 | S | C | * | . | I | π-helix | trans | -92.3 | -53.6 | -174.9 | -54.6 | -56.8 | 151.5 | 0 | 0 | 111.4 | Y76 K82 | Y76-E80 HydrophobicContact CD2-CB 3.7Å; Y76-E80 HydrophobicContact CD2-CG 3.48Å; Y76-E80 VanDerWaalsContact CD2-CG 3.48Å; Y76-E80 HydrophobicContact CE2-CB 3.67Å; Y76-E80 HydrophobicContact CE2-CG 3.71Å; Y76-E80 HydrophobicContact CG-CB 4.35Å; Y76-E80 HydrophobicContact CG-CG 4.39Å; Y76-E80 WeakPolarHBondContact O-CB 3.4Å; Y76-E80 PolarHBondContact O-N 3.47Å; Y76-E80 VanDerWaalsContact O-N 3.1Å; E80-K82 VanDerWaalsContact C-N 3.31Å; E80-K82 PolarHBondContact O-N 3.03Å |
| 81 | L | 94.9 | Very high | 96.5 | Very high | 10 Ų | 10 | 48.2 Ų | 48.2 | 5% | 0.052 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -82.4 | -10.1 | -175.1 | -54.6 | -175.4 | 0 | 0 | 0 | 113.8 | Y76 G83 L244 N248 L271 I307 K313 | Y76-L81 HydrophobicContact CD1-CD1 3.89Å; Y76-L81 HydrophobicContact CD1-CG 3.99Å; Y76-L81 HydrophobicContact CE1-CD1 3.71Å; Y76-L81 HydrophobicContact CE1-CD2 3.78Å; Y76-L81 HydrophobicContact CE1-CG 3.73Å; Y76-L81 PolarHBondContact O-N 2.92Å; L81-G83 PolarHBondContact O-N 3.26Å; L81-L244 HydrophobicContact CD1-CB 4.18Å; L81-L244 HydrophobicContact CD1-CD1 4.31Å; L81-L244 HydrophobicContact CD1-CD2 4.38Å; L81-N248 HydrophobicContact CD2-CB 3.85Å; L81-L271 HydrophobicContact CD2-CD2 3.85Å; L81-I307 HydrophobicContact CB-CG2 3.89Å; L81-I307 HydrophobicContact CD1-CD1 3.79Å; L81-I307 HydrophobicContact CD1-CG2 4.35Å; L81-K313 PolarHBondContact O-NZ 3.41Å |
| 82 | K | 95.6 | Very high | 96.1 | Very high | 133 Ų | 133 | 41.9 Ų | 41.9 | 58% | 0.578 | 20% | 0.199 | S | C | * | . | trans | 49.4 | 45.6 | -175.6 | -50.4 | -56.7 | -172.1 | -169.6 | 0 | 111.5 | I77 D79 E80 K313 | I77-K82 PolarHBondContact O-N 3.44Å; D79-K82 WeakPolarHBondContact O-CD 3.37Å; D79-K82 WeakPolarHBondContact O-CE 3.37Å; D79-K82 PolarHBondContact O-NZ 2.92Å; E80-K82 VanDerWaalsContact C-N 3.31Å; E80-K82 PolarHBondContact O-N 3.03Å; K82-K313 PolarHBondContact O-NZ 3.32Å | ||
| 83 | G | 97.1 | Very high | 95.5 | Very high | 12 Ų | 12 | 37.9 Ų | 37.9 | 12% | 0.124 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -72.6 | 147.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I77 L81 I306 | I77-G83 PolarHBondContact O-N 2.78Å; L81-G83 PolarHBondContact O-N 3.26Å; G83-I306 WeakPolarHBondContact CA-O 3.36Å |
| 84 | T | 98 | Very high | 94.7 | Very high | 8 Ų | 8 | 38.1 Ų | 38.1 | 5% | 0.049 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 116.3 | 176.9 | -57.4 | 0 | 0 | 0 | 0 | 109.9 | M86 A305 I306 L323 H324 | T84-M86 HydrophobicContact CG2-SD 4.25Å; T84-A305 VanDerWaalsContact O-CA 3.31Å; T84-A305 WeakPolarHBondContact O-CA 3.42Å; T84-I306 PolarHBondContact N-O 3.13Å; T84-I306 PolarHBondContact O-N 2.91Å; T84-L323 HydrophobicContact CG2-CD1 4.49Å; T84-L323 HydrophobicContact CG2-CG 4.02Å; T84-H324 PolarHBondContact OG1-CE1 3.49Å |
| 85 | I | 98.2 | Very high | 93.9 | Very high | 16 Ų | 16 | 35.9 Ų | 35.9 | 8% | 0.082 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 125.1 | 174.6 | -51.8 | -54.4 | 0 | 0 | 0 | 109.1 | Y74 I77 T78 E87 F303 A305 S327 | Y74-I85 HydrophobicContact CE2-CD1 4.09Å; Y74-I85 HydrophobicContact CE2-CG1 3.98Å; I77-I85 HydrophobicContact CG2-CD1 4Å; T78-I85 HydrophobicContact CG2-CD1 3.91Å; T78-I85 HydrophobicContact CG2-CG1 3.73Å; I85-E87 PolarHBondContact O-N 3.42Å; I85-F303 HydrophobicContact CD1-CE2 3.93Å; I85-F303 HydrophobicContact CD1-CZ 3.73Å; I85-F303 HydrophobicContact CG2-CE2 4.25Å; I85-A305 HydrophobicContact CD1-CB 3.57Å; I85-S327 WeakPolarHBondContact O-CB 3.31Å |
| 86 | M | 97.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -86.2 | 88.7 | 177.5 | -56.2 | -58.9 | -64.5 | 0 | 0 | 109.3 | T84 M88 Y89 L304 L323 N326 T331 L361 | T84-M86 HydrophobicContact CG2-SD 4.25Å; M86-M88 VanDerWaalsContact C-N 3.28Å; M86-M88 PolarHBondContact O-N 3.39Å; M86-Y89 WeakPolarHBondContact O-CB 3.28Å; M86-Y89 PolarHBondContact O-N 3.02Å; M86-L304 HydrophobicContact CB-CB 4.06Å; M86-L304 HydrophobicContact CB-CD2 3.87Å; M86-L304 HydrophobicContact CB-CG 4.02Å; M86-L304 HydrophobicContact CG-CB 4.35Å; M86-L304 HydrophobicContact CG-CD2 3.63Å; M86-L304 HydrophobicContact CG-CG 3.78Å; M86-L304 PolarHBondContact N-O 2.49Å; M86-L323 HydrophobicContact SD-CD1 3.9Å; M86-N326 HydrophobicContact CE-CB 4.1Å; M86-N326 WeakPolarHBondContact CE-O 3.49Å; M86-T331 HydrophobicContact CE-CG2 3.96Å; M86-L361 HydrophobicContact CE-CD1 4.06Å; M86-L361 HydrophobicContact CE-CD2 3.68Å; M86-L361 HydrophobicContact CE-CG 4.4Å | ||
| 87 | E | 95 | Very high | 93 | Very high | 79 Ų | 79 | 30.7 Ų | 30.7 | 37% | 0.369 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -30.7 | -170.9 | -64.1 | -171.4 | -142.5 | 0 | 0 | 114.3 | R63 I85 S327 | R63-E87 PolarHBondContact NE-O 3.14Å; R63-E87 VanDerWaalsContact NH1-CG 3.35Å; R63-E87 IonicContact NH1-OE2 3.98Å; R63-E87 PolarHBondContact NH2-O 2.97Å; I85-E87 PolarHBondContact O-N 3.42Å; E87-S327 WeakPolarHBondContact CA-O 3.21Å; E87-S327 WeakPolarHBondContact CB-O 3.47Å; E87-S327 PolarHBondContact N-O 3.24Å |
| 88 | M | 93.4 | Very high | 92.7 | Very high | 83 Ų | 83 | 32 Ų | 32 | 41% | 0.409 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109 | 23.7 | -176.7 | -64.1 | -65.6 | -71.3 | 0 | 0 | 112 | M86 S327 R329 T331 | M86-M88 VanDerWaalsContact C-N 3.28Å; M86-M88 PolarHBondContact O-N 3.39Å; M88-S327 PolarHBondContact N-O 3.46Å; M88-R329 WeakPolarHBondContact CB-O 3.01Å; M88-T331 PolarHBondContact O-N 3Å |
| 89 | Y | 95.3 | Very high | 92.5 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | B | Isolated β-bridge | trans | -69.3 | 130.3 | 172.5 | -175.5 | -113.6 | 0 | 0 | 0 | 110.6 | M86 P302 L304 T331 P333 | M86-Y89 WeakPolarHBondContact O-CB 3.28Å; M86-Y89 PolarHBondContact O-N 3.02Å; Y89-P302 HydrophobicContact CD1-CB 4.44Å; Y89-P302 HydrophobicContact CD1-CG 3.69Å; Y89-P302 HydrophobicContact CE1-CB 4.45Å; Y89-P302 HydrophobicContact CE1-CG 3.69Å; Y89-L304 HydrophobicContact CD1-CB 3.62Å; Y89-L304 HydrophobicContact CD1-CD2 4.1Å; Y89-L304 HydrophobicContact CD1-CG 4.46Å; Y89-L304 HydrophobicContact CD2-CB 4.4Å; Y89-L304 HydrophobicContact CD2-CD2 3.37Å; Y89-L304 HydrophobicContact CD2-CG 4.49Å; Y89-L304 HydrophobicContact CE1-CB 4.06Å; Y89-L304 HydrophobicContact CE1-CD2 4.25Å; Y89-L304 HydrophobicContact CE2-CD2 3.5Å; Y89-L304 HydrophobicContact CG-CB 3.82Å; Y89-L304 HydrophobicContact CG-CD2 3.68Å; Y89-L304 HydrophobicContact CG-CG 4.39Å; Y89-T331 WeakPolarHBondContact CA-O 3.47Å; Y89-P333 WeakPolarHBondContact OH-CD 3.4Å; Y89-P333 WeakPolarHBondContact OH-CG 3.29Å |
| 90 | N | 93.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | trans | -129.5 | 144.3 | -170.8 | -160.9 | 82 | 0 | 0 | 0 | 111.6 | R300 N301 L330 T331 P333 I376 W380 P382 | N90-R300 WeakPolarHBondContact CA-O 3.4Å; N90-R300 PolarHBondContact OD1-O 3.2Å; N90-N301 PolarHBondContact OD1-ND2 3.11Å; N90-L330 HydrophobicContact CB-CD1 3.79Å; N90-T331 PolarHBondContact N-O 2.89Å; N90-P333 WeakPolarHBondContact O-CD 3.3Å; N90-I376 HydrophobicContact CB-CD1 4.41Å; N90-W380 PolarHBondContact ND2-O 3.1Å; N90-P382 WeakPolarHBondContact OD1-CG 3.26Å | ||
| 91 | V | 92.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.006 | 11% | 0.108 | C | C | . | . | trans | -63.7 | 159.3 | 169.7 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | Q282 R300 P302 W380 | V91-Q282 HydrophobicContact CG1-CB 3.8Å; V91-R300 HydrophobicContact CG2-CB 4.11Å; V91-R300 HydrophobicContact CG2-CG 4.33Å; V91-R300 PolarHBondContact N-O 2.88Å; V91-P302 HydrophobicContact CG1-CG 3.84Å; V91-W380 HydrophobicContact CG2-CB 4.4Å; V91-W380 HydrophobicContact CG2-CD2 4.07Å; V91-W380 HydrophobicContact CG2-CE3 3.43Å; V91-W380 VanDerWaalsContact CG2-CE3 3.43Å; V91-W380 HydrophobicContact CG2-CG 4.47Å; V91-W380 HydrophobicContact CG2-CZ3 4.08Å | ||
| 92 | I | 90.2 | Very high | 92.4 | Very high | 8 Ų | 8 | 20.8 Ų | 20.8 | 4% | 0.041 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -109.8 | -15.1 | 171.7 | 58.8 | 164.9 | 0 | 0 | 0 | 112.2 | A102 T332 P333 F334 I376 P377 | I92-A102 HydrophobicContact CD1-CB 3.31Å; I92-A102 HydrophobicContact CG1-CB 4.49Å; I92-T332 HydrophobicContact CG2-CG2 4.1Å; I92-P333 HydrophobicContact CG1-CG 4.41Å; I92-F334 HydrophobicContact CB-CE2 4.35Å; I92-F334 HydrophobicContact CD1-CE1 4.17Å; I92-F334 HydrophobicContact CD1-CE2 3.72Å; I92-F334 HydrophobicContact CD1-CZ 3.46Å; I92-F334 VanDerWaalsContact CD1-CZ 3.46Å; I92-F334 HydrophobicContact CG2-CD2 4.12Å; I92-F334 HydrophobicContact CG2-CE2 3.77Å; I92-I376 HydrophobicContact CG2-CG1 4.3Å; I92-P377 WeakPolarHBondContact O-CD 3.27Å |
| 93 | S | 85 | Confident | 92.4 | Very high | 17 Ų | 17 | 14.4 Ų | 14.4 | 12% | 0.119 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -169.5 | 171.6 | -177.9 | -159.9 | 0 | 0 | 0 | 0 | 111.1 | R98 | S93-R98 WeakPolarHBondContact OG-CD 3.28Š|
| 94 | D | 80.4 | Confident | 92.3 | Very high | 4 Ų | 4 | 13.9 Ų | 13.9 | 2% | 0.021 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -77 | 129.3 | 172.9 | 179.4 | 17.8 | 0 | 0 | 0 | 111.2 | R98 Q282 R285 W380 F499 | D94-R98 PolarHBondContact O-NH1 2.83Å; D94-Q282 PolarHBondContact OD1-OE1 2.94Å; D94-R285 VanDerWaalsContact OD1-CD 3.29Å; D94-R285 WeakPolarHBondContact OD1-CD 3.13Å; D94-R285 IonicContact OD1-CZ 2.77Å; D94-R285 VanDerWaalsContact OD1-CZ 3.29Å; D94-R285 IonicContact OD1-NE 3.4Å; D94-R285 PolarHBondContact OD1-NE 3.25Å; D94-R285 IonicContact OD1-NH1 2.91Å; D94-R285 IonicContact OD1-NH2 2.72Å; D94-R285 IonicContact OD2-CZ 2.96Å; D94-R285 IonicContact OD2-NE 3.15Å; D94-R285 PolarHBondContact OD2-NE 3.26Å; D94-R285 VanDerWaalsContact OD2-NE 3.08Å; D94-R285 IonicContact OD2-NH2 3.42Å; D94-R285 PolarHBondContact OD2-NH2 2.92Å; D94-W380 HydrophobicContact CB-CH2 3.84Å; D94-W380 HydrophobicContact CB-CZ2 3.55Å; D94-F499 HydrophobicContact CB-CD1 4.05Å; D94-F499 HydrophobicContact CB-CE1 3.71Å; D94-F499 HydrophobicContact CB-CZ 4.22Å; D94-F499 WeakPolarHBondContact OD2-CD1 3.38Å |
| 95 | G | 81.9 | Confident | 92.1 | Very high | 11 Ų | 11 | 13.6 Ų | 13.6 | 11% | 0.113 | 7% | 0.07 | C | C | . | . | S | Bend | trans | 99.2 | 145.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 115 | T97 R98 A99 | G95-T97 VanDerWaalsContact C-N 3.29Å; G95-T97 PolarHBondContact O-N 2.92Å; G95-T97 VanDerWaalsContact O-N 3.15Å; G95-R98 PolarHBondContact O-N 3.2Å; G95-R98 VanDerWaalsContact O-N 3.07Å; G95-A99 PolarHBondContact O-N 2.82Å |
| 96 | I | 87.2 | Confident | 91.9 | Very high | 20 Ų | 20 | 13 Ų | 13 | 10% | 0.103 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -43.5 | -48.3 | 178.2 | -168.1 | 172.9 | 0 | 0 | 0 | 114.1 | R98 A99 V100 T153 F221 V223 D281 | I96-R98 VanDerWaalsContact C-N 3.26Å; I96-R98 PolarHBondContact O-N 2.97Å; I96-R98 VanDerWaalsContact O-N 3.16Å; I96-A99 PolarHBondContact O-N 2.67Å; I96-V100 HydrophobicContact CG1-CG2 3.65Å; I96-V100 VanDerWaalsContact O-CB 3.24Å; I96-V100 WeakPolarHBondContact O-CB 3.49Å; I96-V100 VanDerWaalsContact O-CG2 3.23Å; I96-V100 WeakPolarHBondContact O-CG2 3.47Å; I96-V100 PolarHBondContact O-N 3.5Å; I96-T153 WeakPolarHBondContact CD1-OG1 3.22Å; I96-T153 HydrophobicContact CG1-CG2 4.39Å; I96-T153 WeakPolarHBondContact CG1-OG1 3.34Å; I96-F221 HydrophobicContact CD1-CD1 3.52Å; I96-F221 HydrophobicContact CD1-CE1 3.26Å; I96-F221 HydrophobicContact CD1-CG 4.4Å; I96-F221 HydrophobicContact CD1-CZ 3.98Å; I96-F221 HydrophobicContact CG1-CD1 4.5Å; I96-F221 HydrophobicContact CG1-CE1 3.94Å; I96-F221 HydrophobicContact CG1-CZ 4.18Å; I96-V223 HydrophobicContact CD1-CG2 4.12Å; I96-D281 WeakPolarHBondContact CA-OD2 2.97Å; I96-D281 HydrophobicContact CB-CB 4.31Å; I96-D281 WeakPolarHBondContact CB-OD2 3.31Å; I96-D281 HydrophobicContact CG1-CB 4.08Å; I96-D281 PolarHBondContact N-OD2 3.23Å; I96-D281 VanDerWaalsContact N-OD2 3.14Å |
| 97 | T | 90.7 | Very high | 91.7 | Very high | 11 Ų | 11 | 16 Ų | 16 | 7% | 0.067 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -55.9 | -40.5 | -176.3 | -45.5 | 0 | 0 | 0 | 0 | 112.4 | G95 L101 T153 R157 L158 | G95-T97 VanDerWaalsContact C-N 3.29Å; G95-T97 PolarHBondContact O-N 2.92Å; G95-T97 VanDerWaalsContact O-N 3.15Å; T97-L101 HydrophobicContact CG2-CD1 3.82Å; T97-L101 HydrophobicContact CG2-CG 4.25Å; T97-L101 WeakPolarHBondContact O-CB 3.43Å; T97-L101 WeakPolarHBondContact O-CD1 3.31Å; T97-L101 WeakPolarHBondContact O-CG 3.32Å; T97-L101 PolarHBondContact O-N 3.47Å; T97-T153 WeakPolarHBondContact CG2-O 3.4Å; T97-T153 PolarHBondContact OG1-O 2.71Å; T97-R157 PolarHBondContact OG1-NE 2.82Å; T97-L158 HydrophobicContact CG2-CD1 3.87Å |
| 98 | R | 90.8 | Very high | 91.5 | Very high | 29 Ų | 29 | 13.8 Ų | 13.8 | 11% | 0.109 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -77.9 | -41.6 | -175.3 | -67.9 | -176.7 | -178.2 | 110.2 | -10.9 | 112.1 | S93 D94 G95 I96 A102 E109 E110 | S93-R98 WeakPolarHBondContact OG-CD 3.28Å; D94-R98 PolarHBondContact O-NH1 2.83Å; G95-R98 PolarHBondContact O-N 3.2Å; G95-R98 VanDerWaalsContact O-N 3.07Å; I96-R98 VanDerWaalsContact C-N 3.26Å; I96-R98 PolarHBondContact O-N 2.97Å; I96-R98 VanDerWaalsContact O-N 3.16Å; R98-A102 WeakPolarHBondContact O-CB 3.44Å; R98-A102 PolarHBondContact O-N 3Å; R98-E109 HydrophobicContact CG-CB 4.49Å; R98-E109 IonicContact NE-OE2 2.76Å; R98-E110 IonicContact NE-OE1 2.72Å |
| 99 | A | 93 | Very high | 91.3 | Very high | 1 Ų | 1 | 10.7 Ų | 10.7 | 1% | 0.008 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -64.4 | -43.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G95 I96 A102 T103 D281 | G95-A99 PolarHBondContact O-N 2.82Å; I96-A99 PolarHBondContact O-N 2.67Å; A99-A102 PolarHBondContact O-N 2.76Å; A99-T103 WeakPolarHBondContact O-CB 3.45Å; A99-T103 PolarHBondContact O-N 2.84Å; A99-T103 PolarHBondContact O-OG1 3.12Å; A99-D281 HydrophobicContact CB-CB 3.89Å; A99-D281 WeakPolarHBondContact CB-O 3.17Å |
| 100 | V | 95 | Very high | 90.9 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -70.1 | -41.5 | 179.2 | 177 | 0 | 0 | 0 | 0 | 111.4 | I96 A102 T103 L104 T153 F154 F219 F221 | I96-V100 HydrophobicContact CG1-CG2 3.65Å; I96-V100 VanDerWaalsContact O-CB 3.24Å; I96-V100 WeakPolarHBondContact O-CB 3.49Å; I96-V100 VanDerWaalsContact O-CG2 3.23Å; I96-V100 WeakPolarHBondContact O-CG2 3.47Å; I96-V100 PolarHBondContact O-N 3.5Å; V100-A102 PolarHBondContact O-N 3.25Å; V100-T103 PolarHBondContact O-N 2.58Å; V100-L104 HydrophobicContact CG1-CD1 3.48Å; V100-L104 VanDerWaalsContact CG1-CD1 3.48Å; V100-L104 HydrophobicContact CG1-CG 4.21Å; V100-L104 WeakPolarHBondContact O-CB 3.38Å; V100-L104 WeakPolarHBondContact O-CG 3.19Å; V100-L104 PolarHBondContact O-N 2.92Å; V100-T153 HydrophobicContact CB-CG2 3.85Å; V100-T153 HydrophobicContact CG1-CG2 3.89Å; V100-T153 HydrophobicContact CG2-CG2 4.29Å; V100-F154 HydrophobicContact CG1-CZ 3.97Å; V100-F219 HydrophobicContact CG1-CE1 4.11Å; V100-F219 HydrophobicContact CG1-CE2 4.48Å; V100-F219 HydrophobicContact CG1-CZ 3.64Å; V100-F219 HydrophobicContact CG2-CZ 4.31Å; V100-F221 HydrophobicContact CG2-CD2 4.42Å; V100-F221 HydrophobicContact CG2-CE2 4Å; V100-F221 HydrophobicContact CG2-CZ 4.38Å |
| 101 | L | 95.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.7 | -50.3 | 172.9 | -80.6 | 172.8 | 0 | 0 | 0 | 111.1 | T97 T103 L104 T105 E109 L112 Y128 F130 F154 | T97-L101 HydrophobicContact CG2-CD1 3.82Å; T97-L101 HydrophobicContact CG2-CG 4.25Å; T97-L101 WeakPolarHBondContact O-CB 3.43Å; T97-L101 WeakPolarHBondContact O-CD1 3.31Å; T97-L101 WeakPolarHBondContact O-CG 3.32Å; T97-L101 PolarHBondContact O-N 3.47Å; L101-T103 PolarHBondContact O-N 3.47Å; L101-L104 PolarHBondContact O-N 2.9Å; L101-T105 HydrophobicContact CD2-CG2 4.2Å; L101-T105 WeakPolarHBondContact O-CB 3.45Å; L101-T105 PolarHBondContact O-N 3.39Å; L101-T105 PolarHBondContact O-OG1 2.9Å; L101-E109 HydrophobicContact CD1-CB 4.07Å; L101-E109 HydrophobicContact CD1-CG 4.25Å; L101-L112 HydrophobicContact CD1-CD1 4.1Å; L101-L112 HydrophobicContact CD2-CD1 3.79Å; L101-L112 HydrophobicContact CG-CD1 4.38Å; L101-Y128 HydrophobicContact CD2-CD2 3.66Å; L101-Y128 HydrophobicContact CD2-CE2 3.91Å; L101-F130 HydrophobicContact CD2-CE1 4.03Å; L101-F130 HydrophobicContact CD2-CZ 4.42Å; L101-F154 HydrophobicContact CD2-CE1 3.68Å; L101-F154 HydrophobicContact CG-CE1 4.02Å |
| 102 | A | 94.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.2 | -33.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | I92 R98 A99 V100 G106 M107 P333 F334 | I92-A102 HydrophobicContact CD1-CB 3.31Å; I92-A102 HydrophobicContact CG1-CB 4.49Å; R98-A102 WeakPolarHBondContact O-CB 3.44Å; R98-A102 PolarHBondContact O-N 3Å; A99-A102 PolarHBondContact O-N 2.76Å; V100-A102 PolarHBondContact O-N 3.25Å; A102-G106 WeakPolarHBondContact O-CA 3.35Å; A102-G106 PolarHBondContact O-N 2.87Å; A102-G106 VanDerWaalsContact O-N 3.07Å; A102-M107 WeakPolarHBondContact CA-O 3.27Å; A102-M107 PolarHBondContact N-O 2.66Å; A102-P333 HydrophobicContact CB-CB 3.57Å; A102-P333 HydrophobicContact CB-CG 4.49Å; A102-F334 HydrophobicContact CB-CD1 3.83Å; A102-F334 HydrophobicContact CB-CE1 3.45Å; A102-F334 VanDerWaalsContact CB-CE1 3.45Å; A102-F334 HydrophobicContact CB-CZ 3.97Å |
| 103 | T | 95.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -69.5 | -34.2 | 174.7 | -59.5 | 0 | 0 | 0 | 0 | 112.7 | A99 V100 L101 M279 L336 Y337 | A99-T103 WeakPolarHBondContact O-CB 3.45Å; A99-T103 PolarHBondContact O-N 2.84Å; A99-T103 PolarHBondContact O-OG1 3.12Å; V100-T103 PolarHBondContact O-N 2.58Å; L101-T103 PolarHBondContact O-N 3.47Å; T103-M279 HydrophobicContact CG2-CE 4.38Å; T103-M279 HydrophobicContact CG2-SD 4.2Å; T103-L336 HydrophobicContact CG2-CD2 3.66Å; T103-L336 HydrophobicContact CG2-CG 4.15Å; T103-Y337 WeakPolarHBondContact O-CD2 3.29Å |
| 104 | L | 95.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -105.3 | -13.9 | -170.2 | -61.9 | 177.8 | 0 | 0 | 0 | 114.4 | I55 V100 L101 F130 I131 W132 F217 F219 | I55-L104 HydrophobicContact CD1-CD2 4.49Å; V100-L104 HydrophobicContact CG1-CD1 3.48Å; V100-L104 VanDerWaalsContact CG1-CD1 3.48Å; V100-L104 HydrophobicContact CG1-CG 4.21Å; V100-L104 WeakPolarHBondContact O-CB 3.38Å; V100-L104 WeakPolarHBondContact O-CG 3.19Å; V100-L104 PolarHBondContact O-N 2.92Å; L101-L104 PolarHBondContact O-N 2.9Å; L104-F130 HydrophobicContact CB-CD1 4.07Å; L104-F130 CarbonylContact O-C 3.58Å; L104-F130 WeakPolarHBondContact O-CA 3.33Å; L104-I131 HydrophobicContact CD2-CG2 3.95Å; L104-I131 WeakPolarHBondContact O-CB 3.41Å; L104-I131 PolarHBondContact O-N 3.39Å; L104-W132 HydrophobicContact CB-CZ3 4.35Å; L104-W132 HydrophobicContact CD1-CE3 4.33Å; L104-W132 HydrophobicContact CD1-CH2 4.34Å; L104-W132 HydrophobicContact CD1-CZ3 3.51Å; L104-W132 HydrophobicContact CG-CZ3 4.34Å; L104-F217 HydrophobicContact CD2-CZ 4.3Å; L104-F219 HydrophobicContact CD1-CD1 4.16Å; L104-F219 HydrophobicContact CD1-CD2 3.96Å; L104-F219 HydrophobicContact CD1-CE1 3.97Å; L104-F219 HydrophobicContact CD1-CE2 3.75Å; L104-F219 HydrophobicContact CD1-CG 4.17Å; L104-F219 HydrophobicContact CD1-CZ 3.76Å; L104-F219 HydrophobicContact CD2-CD2 3.82Å; L104-F219 HydrophobicContact CD2-CE2 4.01Å; L104-F219 HydrophobicContact CD2-CG 4.49Å; L104-F219 HydrophobicContact CG-CD2 4.43Å; L104-F219 HydrophobicContact CG-CE2 4.21Å |
| 105 | T | 94.2 | Very high | 91.9 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.012 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -126.9 | -13.7 | 178.1 | 71.7 | 0 | 0 | 0 | 0 | 112.6 | L101 M107 L112 F130 | L101-T105 HydrophobicContact CD2-CG2 4.2Å; L101-T105 WeakPolarHBondContact O-CB 3.45Å; L101-T105 PolarHBondContact O-N 3.39Å; L101-T105 PolarHBondContact O-OG1 2.9Å; T105-M107 PolarHBondContact O-N 2.85Å; T105-M107 WeakPolarHBondContact OG1-CB 3.3Å; T105-M107 PolarHBondContact OG1-N 3.36Å; T105-M107 PolarHBondContact OG1-O 3.31Å; T105-L112 HydrophobicContact CG2-CD1 4.49Å; T105-F130 HydrophobicContact CG2-CD1 3.7Å; T105-F130 HydrophobicContact CG2-CE1 4.07Å; T105-F130 HydrophobicContact CG2-CG 4.36Å |
| 106 | G | 93.2 | Very high | 92.3 | Very high | 3 Ų | 3 | 27.5 Ų | 27.5 | 3% | 0.031 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 70 | 7.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A102 F334 Y337 R357 | A102-G106 WeakPolarHBondContact O-CA 3.35Å; A102-G106 PolarHBondContact O-N 2.87Å; A102-G106 VanDerWaalsContact O-N 3.07Å; G106-F334 VanDerWaalsContact O-CD1 3.23Å; G106-F334 WeakPolarHBondContact O-CD1 3.44Å; G106-F334 WeakPolarHBondContact O-CE1 3.37Å; G106-Y337 VanDerWaalsContact CA-CD1 3.41Å; G106-Y337 VanDerWaalsContact CA-CG 3.46Å; G106-Y337 VanDerWaalsContact N-CD2 3.27Å; G106-R357 PolarHBondContact O-NH2 3.35Å |
| 107 | M | 92.7 | Very high | 92.2 | Very high | 63 Ų | 63 | 30.7 Ų | 30.7 | 31% | 0.31 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -120.3 | 150.7 | -173.4 | -60.7 | -180 | 179.4 | 0 | 0 | 112.6 | A102 T105 E111 L112 P129 | A102-M107 WeakPolarHBondContact CA-O 3.27Å; A102-M107 PolarHBondContact N-O 2.66Å; T105-M107 PolarHBondContact O-N 2.85Å; T105-M107 WeakPolarHBondContact OG1-CB 3.3Å; T105-M107 PolarHBondContact OG1-N 3.36Å; T105-M107 PolarHBondContact OG1-O 3.31Å; M107-E111 WeakPolarHBondContact CA-OE2 3.27Å; M107-E111 HydrophobicContact CB-CB 4.24Å; M107-L112 HydrophobicContact CB-CD1 4.36Å; M107-L112 HydrophobicContact CB-CD2 4.15Å; M107-L112 HydrophobicContact CB-CG 4.04Å; M107-L112 HydrophobicContact SD-CD2 3.63Å; M107-L112 HydrophobicContact SD-CG 4.4Å; M107-P129 HydrophobicContact CE-CG 4.2Å; M107-P129 HydrophobicContact SD-CG 3.99Å |
| 108 | T | 91 | Very high | 91.9 | Very high | 34 Ų | 34 | 32.4 Ų | 32.4 | 21% | 0.209 | 16% | 0.158 | C | C | . | . | trans | -71.5 | 164.1 | 165.9 | 58.4 | 0 | 0 | 0 | 0 | 110.4 | E110 E111 L112 F334 | T108-E110 VanDerWaalsContact C-N 3.25Å; T108-E110 PolarHBondContact O-N 3.48Å; T108-E111 PolarHBondContact N-OE2 3.46Å; T108-E111 PolarHBondContact O-N 2.86Å; T108-E111 WeakPolarHBondContact OG1-CB 3.5Å; T108-E111 VanDerWaalsContact OG1-CD 3.24Å; T108-E111 WeakPolarHBondContact OG1-CG 3.44Å; T108-E111 PolarHBondContact OG1-N 3.43Å; T108-E111 PolarHBondContact OG1-OE2 2.94Å; T108-L112 WeakPolarHBondContact O-CG 3.42Å; T108-F334 HydrophobicContact CG2-CE1 4.46Å; T108-F334 HydrophobicContact CG2-CZ 3.74Å | ||
| 109 | E | 89.2 | Confident | 91.6 | Very high | 18 Ų | 18 | 35.6 Ų | 35.6 | 8% | 0.084 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -64.7 | -35.6 | 175.4 | -174.6 | -171.6 | 173.7 | 0 | 0 | 111.5 | R98 L101 E111 L112 R157 | R98-E109 HydrophobicContact CG-CB 4.49Å; R98-E109 IonicContact NE-OE2 2.76Å; L101-E109 HydrophobicContact CD1-CB 4.07Å; L101-E109 HydrophobicContact CD1-CG 4.25Å; E109-E111 VanDerWaalsContact C-N 3.27Å; E109-E111 PolarHBondContact O-N 3.14Å; E109-L112 PolarHBondContact O-N 2.76Å; E109-L112 VanDerWaalsContact O-N 3.1Å; E109-R157 IonicContact OE1-CZ 3.66Å; E109-R157 IonicContact OE1-NH1 3.29Å; E109-R157 PolarHBondContact OE1-NH1 2.84Å; E109-R157 IonicContact OE1-NH2 2.77Å; E109-R157 PolarHBondContact OE1-NH2 2.83Å; E109-R157 IonicContact OE2-CZ 3.67Å; E109-R157 VanDerWaalsContact OE2-CZ 3.26Å; E109-R157 IonicContact OE2-NH1 3.56Å; E109-R157 PolarHBondContact OE2-NH1 3.33Å; E109-R157 VanDerWaalsContact OE2-NH1 3.13Å; E109-R157 IonicContact OE2-NH2 3.48Å; E109-R157 PolarHBondContact OE2-NH2 3.48Å |
| 110 | E | 87.9 | Confident | 91.1 | Very high | 122 Ų | 122 | 46.6 Ų | 46.6 | 57% | 0.57 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -24.1 | -178.1 | -63.4 | 74.8 | -165.6 | 0 | 0 | 112.7 | R98 T108 L112 | R98-E110 IonicContact NE-OE1 2.72Å; T108-E110 VanDerWaalsContact C-N 3.25Å; T108-E110 PolarHBondContact O-N 3.48Å; E110-L112 VanDerWaalsContact C-N 3.33Å |
| 111 | E | 90.9 | Very high | 90.7 | Very high | 84 Ų | 84 | 54.6 Ų | 54.6 | 39% | 0.393 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -13.5 | 172.9 | -73.8 | 167.9 | 142.5 | 0 | 0 | 112.9 | M107 T108 E109 R357 | M107-E111 WeakPolarHBondContact CA-OE2 3.27Å; M107-E111 HydrophobicContact CB-CB 4.24Å; T108-E111 PolarHBondContact N-OE2 3.46Å; T108-E111 PolarHBondContact O-N 2.86Å; T108-E111 WeakPolarHBondContact OG1-CB 3.5Å; T108-E111 VanDerWaalsContact OG1-CD 3.24Å; T108-E111 WeakPolarHBondContact OG1-CG 3.44Å; T108-E111 PolarHBondContact OG1-N 3.43Å; T108-E111 PolarHBondContact OG1-OE2 2.94Å; E109-E111 VanDerWaalsContact C-N 3.27Å; E109-E111 PolarHBondContact O-N 3.14Å; E111-R357 IonicContact OE1-CZ 3.45Å; E111-R357 IonicContact OE1-NH1 3.86Å; E111-R357 PolarHBondContact OE1-NH1 3Å; E111-R357 IonicContact OE1-NH2 3.1Å; E111-R357 PolarHBondContact OE1-NH2 2.79Å; E111-R357 IonicContact OE2-CZ 2.62Å; E111-R357 IonicContact OE2-NH1 2.69Å; E111-R357 PolarHBondContact OE2-NH1 2.89Å; E111-R357 IonicContact OE2-NH2 3.95Å; E111-R357 PolarHBondContact OE2-NH2 3.41Å |
| 112 | L | 92 | Very high | 90.4 | Very high | 15 Ų | 15 | 55.7 Ų | 55.7 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -99.3 | 156.2 | -176.6 | -69 | 168.6 | 0 | 0 | 0 | 111.7 | L101 T105 M107 T108 E109 E110 D114 Y128 P129 | L101-L112 HydrophobicContact CD1-CD1 4.1Å; L101-L112 HydrophobicContact CD2-CD1 3.79Å; L101-L112 HydrophobicContact CG-CD1 4.38Å; T105-L112 HydrophobicContact CG2-CD1 4.49Å; M107-L112 HydrophobicContact CB-CD1 4.36Å; M107-L112 HydrophobicContact CB-CD2 4.15Å; M107-L112 HydrophobicContact CB-CG 4.04Å; M107-L112 HydrophobicContact SD-CD2 3.63Å; M107-L112 HydrophobicContact SD-CG 4.4Å; T108-L112 WeakPolarHBondContact O-CG 3.42Å; E109-L112 PolarHBondContact O-N 2.76Å; E109-L112 VanDerWaalsContact O-N 3.1Å; E110-L112 VanDerWaalsContact C-N 3.33Å; L112-D114 PolarHBondContact O-N 3.04Å; L112-Y128 HydrophobicContact CB-CD1 4.01Å; L112-Y128 HydrophobicContact CB-CE1 3.66Å; L112-Y128 HydrophobicContact CD1-CD1 4.25Å; L112-Y128 HydrophobicContact CD1-CD2 4.18Å; L112-Y128 HydrophobicContact CD1-CE1 4.36Å; L112-Y128 HydrophobicContact CD1-CE2 4.28Å; L112-Y128 HydrophobicContact CD1-CG 4.15Å; L112-Y128 HydrophobicContact CD2-CD1 4.01Å; L112-Y128 HydrophobicContact CD2-CG 4.32Å; L112-Y128 HydrophobicContact CG-CD1 4.33Å; L112-Y128 HydrophobicContact CG-CE1 4.42Å; L112-P129 HydrophobicContact CD2-CG 4.23Å |
| 113 | P | 93.4 | Very high | 90.3 | Very high | 68 Ų | 68 | 58.6 Ų | 58.6 | 44% | 0.442 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 141.8 | 171.6 | -25.9 | 34.4 | 0 | 0 | 0 | 112 | T115 V127 Y128 | P113-T115 PolarHBondContact O-N 3.31Å; P113-V127 HydrophobicContact CB-CG2 3.92Å; P113-V127 HydrophobicContact CG-CG2 4.02Å; P113-Y128 HydrophobicContact CB-CE1 4.45Å; P113-Y128 WeakPolarHBondContact O-CE1 3.5Å; P113-Y128 PolarHBondContact O-OH 3.17Å |
| 114 | D | 91.2 | Very high | 90.3 | Very high | 46 Ų | 46 | 62 Ų | 62 | 25% | 0.246 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 127.6 | 177.9 | -158.8 | -38.2 | 0 | 0 | 0 | 110.9 | L112 R116 K119 V122 | L112-D114 PolarHBondContact O-N 3.04Å; D114-R116 VanDerWaalsContact CG-NE 3.33Å; D114-R116 WeakPolarHBondContact OD1-CB 3.49Å; D114-R116 VanDerWaalsContact OD1-CG 3.27Å; D114-R116 WeakPolarHBondContact OD1-CG 3.46Å; D114-R116 IonicContact OD1-CZ 3.35Å; D114-R116 PolarHBondContact OD1-N 3.16Å; D114-R116 VanDerWaalsContact OD1-N 3.09Å; D114-R116 IonicContact OD1-NE 3.08Å; D114-R116 PolarHBondContact OD1-NE 2.85Å; D114-R116 IonicContact OD1-NH2 3.34Å; D114-R116 IonicContact OD2-CZ 3.5Å; D114-R116 IonicContact OD2-NE 2.76Å; D114-R116 PolarHBondContact OD2-NE 3.27Å; D114-R116 IonicContact OD2-NH2 2.75Å; D114-R116 PolarHBondContact OD2-NH2 3.19Å; D114-K119 WeakPolarHBondContact OD2-CD 3.31Å; D114-K119 WeakPolarHBondContact OD2-CE 3.4Å; D114-K119 IonicContact OD2-NZ 3.2Å; D114-K119 PolarHBondContact OD2-NZ 3.24Å; D114-V122 HydrophobicContact CB-CG1 4.3Å; D114-V122 WeakPolarHBondContact O-CB 3.46Å |
| 115 | T | 94 | Very high | 90.4 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -128.1 | 16.4 | -179.4 | 63 | 0 | 0 | 0 | 0 | 112.5 | P113 F117 S123 V125 V127 Y128 L158 K159 | P113-T115 PolarHBondContact O-N 3.31Å; T115-F117 PolarHBondContact O-N 3.43Å; T115-S123 WeakPolarHBondContact CA-O 3.36Å; T115-S123 WeakPolarHBondContact CB-O 3.37Å; T115-S123 WeakPolarHBondContact CG2-O 3.39Å; T115-V125 HydrophobicContact CG2-CG1 4.29Å; T115-V125 WeakPolarHBondContact OG1-CG1 3.28Å; T115-V127 HydrophobicContact CG2-CG2 4.14Å; T115-Y128 HydrophobicContact CG2-CE1 3.63Å; T115-Y128 HydrophobicContact CG2-CE2 4.45Å; T115-Y128 VanDerWaalsContact CG2-OH 3.31Å; T115-Y128 WeakPolarHBondContact CG2-OH 3.31Å; T115-Y128 PolarHBondContact OG1-OH 3.27Å; T115-L158 CarbonylContact O-C 3.53Å; T115-L158 WeakPolarHBondContact O-CA 3.43Å; T115-K159 WeakPolarHBondContact O-CG 3.35Å; T115-K159 PolarHBondContact O-N 3.05Å | ||
| 116 | R | 90.2 | Very high | 90.5 | Very high | 62 Ų | 62 | 64.5 Ų | 64.5 | 23% | 0.234 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -67.2 | 126.1 | -177.4 | -66.1 | 177.4 | -77.8 | -166.2 | -21.3 | 111.5 | D114 Q118 K119 V122 L158 F517 | D114-R116 VanDerWaalsContact CG-NE 3.33Å; D114-R116 WeakPolarHBondContact OD1-CB 3.49Å; D114-R116 VanDerWaalsContact OD1-CG 3.27Å; D114-R116 WeakPolarHBondContact OD1-CG 3.46Å; D114-R116 IonicContact OD1-CZ 3.35Å; D114-R116 PolarHBondContact OD1-N 3.16Å; D114-R116 VanDerWaalsContact OD1-N 3.09Å; D114-R116 IonicContact OD1-NE 3.08Å; D114-R116 PolarHBondContact OD1-NE 2.85Å; D114-R116 IonicContact OD1-NH2 3.34Å; D114-R116 IonicContact OD2-CZ 3.5Å; D114-R116 IonicContact OD2-NE 2.76Å; D114-R116 PolarHBondContact OD2-NE 3.27Å; D114-R116 IonicContact OD2-NH2 2.75Å; D114-R116 PolarHBondContact OD2-NH2 3.19Å; R116-Q118 PolarHBondContact O-N 3.35Å; R116-K119 VanDerWaalsContact CZ-CE 3.46Å; R116-K119 VanDerWaalsContact NH2-CE 3.25Å; R116-K119 PolarHBondContact O-N 2.68Å; R116-V122 VanDerWaalsContact O-CG2 3.25Å; R116-V122 WeakPolarHBondContact O-CG2 3.26Å; R116-L158 HydrophobicContact CG-CD2 3.85Å; R116-F517 HydrophobicContact CG-CE2 4.47Å; R116-F517 VanDerWaalsContact NH1-CE2 3.27Å |
| 117 | F | 86.9 | Confident | 90.6 | Very high | 86 Ų | 86 | 67.7 Ų | 67.7 | 38% | 0.377 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -25.1 | -172.4 | 72.8 | -102.5 | 0 | 0 | 0 | 114.2 | T115 K119 R157 K159 F516 | T115-F117 PolarHBondContact O-N 3.43Å; F117-K119 VanDerWaalsContact C-N 3.33Å; F117-R157 VanDerWaalsContact CD1-O 3.31Å; F117-R157 WeakPolarHBondContact CD1-O 3.44Å; F117-R157 PolarHBondContact N-O 3.19Å; F117-K159 HydrophobicContact CB-CG 3.95Å; F117-F516 HydrophobicContact CE1-CD2 4.39Å; F117-F516 HydrophobicContact CZ-CD2 4.44Å |
| 118 | Q | 83.5 | Confident | 90.7 | Very high | 47 Ų | 47 | 64.9 Ų | 64.9 | 22% | 0.22 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -20.2 | 179.9 | -63.9 | 173.4 | -26.8 | 0 | 0 | 113.5 | R116 Q512 D515 F516 | R116-Q118 PolarHBondContact O-N 3.35Å; Q118-Q512 PolarHBondContact NE2-O 2.93Å; Q118-D515 VanDerWaalsContact OE1-CA 3.29Å; Q118-F516 VanDerWaalsContact CD-N 3.31Å |
| 119 | K | 84 | Confident | 90.9 | Very high | 97 Ų | 97 | 66.2 Ų | 66.2 | 42% | 0.422 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -84.3 | 139.5 | 178.5 | -74.9 | -164.2 | 176.5 | -173.5 | 0 | 111.1 | D114 R116 F117 V122 | D114-K119 WeakPolarHBondContact OD2-CD 3.31Å; D114-K119 WeakPolarHBondContact OD2-CE 3.4Å; D114-K119 IonicContact OD2-NZ 3.2Å; D114-K119 PolarHBondContact OD2-NZ 3.24Å; R116-K119 VanDerWaalsContact CZ-CE 3.46Å; R116-K119 VanDerWaalsContact NH2-CE 3.25Å; R116-K119 PolarHBondContact O-N 2.68Å; F117-K119 VanDerWaalsContact C-N 3.33Å; K119-V122 HydrophobicContact CB-CG1 3.47Å; K119-V122 VanDerWaalsContact CB-CG1 3.47Å; K119-V122 HydrophobicContact CB-CG2 4.32Å; K119-V122 HydrophobicContact CD-CG1 4.4Å; K119-V122 VanDerWaalsContact O-CG2 3.23Å; K119-V122 WeakPolarHBondContact O-CG2 3.42Å |
| 120 | R | 82.7 | Confident | 91.2 | Very high | 231 Ų | 231 | 65.5 Ų | 65.5 | 87% | 0.872 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | 146.8 | 174.7 | -64.1 | -175.8 | 178.8 | -177.1 | -0.4 | 109.9 | V122 | R120-V122 PolarHBondContact O-N 2.81Š|
| 121 | N | 86 | Confident | 91.5 | Very high | 169 Ų | 169 | 59.8 Ų | 59.8 | 90% | 0.904 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 25.4 | 173.9 | -57.9 | -16.9 | 0 | 0 | 0 | 116.3 | ||
| 122 | V | 89.4 | Confident | 91.7 | Very high | 23 Ų | 23 | 55.9 Ų | 55.9 | 14% | 0.139 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -88.1 | 151.7 | 173.6 | -64.8 | 0 | 0 | 0 | 0 | 113.1 | D114 R116 K119 R120 K159 | D114-V122 HydrophobicContact CB-CG1 4.3Å; D114-V122 WeakPolarHBondContact O-CB 3.46Å; R116-V122 VanDerWaalsContact O-CG2 3.25Å; R116-V122 WeakPolarHBondContact O-CG2 3.26Å; K119-V122 HydrophobicContact CB-CG1 3.47Å; K119-V122 VanDerWaalsContact CB-CG1 3.47Å; K119-V122 HydrophobicContact CB-CG2 4.32Å; K119-V122 HydrophobicContact CD-CG1 4.4Å; K119-V122 VanDerWaalsContact O-CG2 3.23Å; K119-V122 WeakPolarHBondContact O-CG2 3.42Å; R120-V122 PolarHBondContact O-N 2.81Å; V122-K159 HydrophobicContact CG2-CD 3.79Å; V122-K159 HydrophobicContact CG2-CG 4.32Å; V122-K159 PolarHBondContact O-NZ 3.16Å |
| 123 | S | 92.9 | Very high | 91.8 | Very high | 60 Ų | 60 | 58.1 Ų | 58.1 | 42% | 0.42 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 168.6 | 177.2 | -66.1 | 0 | 0 | 0 | 0 | 112.4 | T115 | T115-S123 WeakPolarHBondContact CA-O 3.36Å; T115-S123 WeakPolarHBondContact CB-O 3.37Å; T115-S123 WeakPolarHBondContact CG2-O 3.39Å |
| 124 | F | 96 | Very high | 91.7 | Very high | 73 Ų | 73 | 59 Ų | 59 | 32% | 0.32 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 164.9 | 165.7 | -68 | -99.9 | 0 | 0 | 0 | 110.1 | D126 V127 K159 G160 K162 | F124-D126 WeakPolarHBondContact CB-OD2 3.4Å; F124-D126 PolarHBondContact O-N 2.8Å; F124-D126 VanDerWaalsContact O-N 3.07Å; F124-V127 WeakPolarHBondContact O-CG2 3.33Å; F124-V127 PolarHBondContact O-N 3.37Å; F124-K159 HydrophobicContact CD1-CB 3.99Å; F124-K159 HydrophobicContact CE1-CB 4.46Å; F124-K159 HydrophobicContact CG-CB 4.39Å; F124-G160 WeakPolarHBondContact CB-O 3.41Å; F124-G160 WeakPolarHBondContact CD1-O 3.25Å; F124-K162 HydrophobicContact CB-CB 3.99Å; F124-K162 HydrophobicContact CD1-CB 3.71Å; F124-K162 HydrophobicContact CD2-CB 3.77Å; F124-K162 HydrophobicContact CD2-CD 3.86Å; F124-K162 HydrophobicContact CD2-CG 4.22Å; F124-K162 HydrophobicContact CE1-CB 4.04Å; F124-K162 HydrophobicContact CE1-CG 4.43Å; F124-K162 HydrophobicContact CE2-CB 4.11Å; F124-K162 HydrophobicContact CE2-CD 3.74Å; F124-K162 HydrophobicContact CE2-CG 4.11Å; F124-K162 HydrophobicContact CG-CB 3.57Å; F124-K162 HydrophobicContact CG-CG 4.44Å; F124-K162 HydrophobicContact CZ-CB 4.23Å; F124-K162 HydrophobicContact CZ-CD 4.29Å; F124-K162 HydrophobicContact CZ-CG 4.21Å |
| 125 | V | 96.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -66.6 | -9 | -179.4 | -60.5 | 0 | 0 | 0 | 0 | 113.6 | T115 V127 Y128 F130 F154 L158 G160 F161 | T115-V125 HydrophobicContact CG2-CG1 4.29Å; T115-V125 WeakPolarHBondContact OG1-CG1 3.28Å; V125-V127 PolarHBondContact O-N 2.67Å; V125-Y128 HydrophobicContact CB-CD2 3.86Å; V125-Y128 HydrophobicContact CB-CE2 3.9Å; V125-Y128 HydrophobicContact CG1-CD2 4.18Å; V125-Y128 HydrophobicContact CG1-CE2 3.69Å; V125-Y128 WeakPolarHBondContact O-CB 3.49Å; V125-Y128 PolarHBondContact O-N 2.8Å; V125-F130 WeakPolarHBondContact O-CE2 3.24Å; V125-F154 HydrophobicContact CG1-CB 4.44Å; V125-F154 HydrophobicContact CG2-CB 4.16Å; V125-L158 HydrophobicContact CG1-CB 3.9Å; V125-L158 HydrophobicContact CG1-CD1 3.8Å; V125-G160 VanDerWaalsContact CG2-C 3.44Å; V125-G160 VanDerWaalsContact CG2-O 3.29Å; V125-G160 WeakPolarHBondContact CG2-O 3.31Å; V125-G160 PolarHBondContact N-O 3.33Å; V125-F161 HydrophobicContact CB-CE1 4.48Å; V125-F161 HydrophobicContact CG2-CB 4.45Å; V125-F161 HydrophobicContact CG2-CD1 3.42Å; V125-F161 VanDerWaalsContact CG2-CD1 3.42Å; V125-F161 HydrophobicContact CG2-CD2 3.81Å; V125-F161 HydrophobicContact CG2-CE1 3.4Å; V125-F161 VanDerWaalsContact CG2-CE1 3.4Å; V125-F161 HydrophobicContact CG2-CE2 3.78Å; V125-F161 HydrophobicContact CG2-CG 3.64Å; V125-F161 HydrophobicContact CG2-CZ 3.59Å |
| 126 | D | 96.4 | Very high | 91.7 | Very high | 53 Ų | 53 | 60.2 Ų | 60.2 | 28% | 0.283 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -50 | -24.2 | 172 | -53.3 | -134.7 | 0 | 0 | 0 | 113.3 | F124 Y128 F161 K162 K163 | F124-D126 WeakPolarHBondContact CB-OD2 3.4Å; F124-D126 PolarHBondContact O-N 2.8Å; F124-D126 VanDerWaalsContact O-N 3.07Å; D126-Y128 VanDerWaalsContact C-N 3.26Å; D126-Y128 PolarHBondContact O-N 3.47Å; D126-F161 WeakPolarHBondContact OD2-CA 3.48Å; D126-K162 PolarHBondContact OD1-N 2.92Å; D126-K162 PolarHBondContact OD2-N 2.81Å; D126-K163 WeakPolarHBondContact OD1-CB 3.45Å; D126-K163 PolarHBondContact OD1-N 3.33Å |
| 127 | V | 95.7 | Very high | 91.7 | Very high | 71 Ų | 71 | 64.1 Ų | 64.1 | 43% | 0.43 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -76.3 | -9.6 | 178.8 | -57.7 | 0 | 0 | 0 | 0 | 113.9 | P113 T115 F124 V125 | P113-V127 HydrophobicContact CB-CG2 3.92Å; P113-V127 HydrophobicContact CG-CG2 4.02Å; T115-V127 HydrophobicContact CG2-CG2 4.14Å; F124-V127 WeakPolarHBondContact O-CG2 3.33Å; F124-V127 PolarHBondContact O-N 3.37Å; V125-V127 PolarHBondContact O-N 2.67Å |
| 128 | Y | 95.8 | Very high | 91.8 | Very high | 3 Ų | 3 | 61 Ų | 61 | 1% | 0.012 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -77.8 | 142.7 | -178.8 | -62.3 | -14.5 | 0 | 0 | 0 | 111.5 | L101 L112 P113 T115 V125 D126 F130 L158 | L101-Y128 HydrophobicContact CD2-CD2 3.66Å; L101-Y128 HydrophobicContact CD2-CE2 3.91Å; L112-Y128 HydrophobicContact CB-CD1 4.01Å; L112-Y128 HydrophobicContact CB-CE1 3.66Å; L112-Y128 HydrophobicContact CD1-CD1 4.25Å; L112-Y128 HydrophobicContact CD1-CD2 4.18Å; L112-Y128 HydrophobicContact CD1-CE1 4.36Å; L112-Y128 HydrophobicContact CD1-CE2 4.28Å; L112-Y128 HydrophobicContact CD1-CG 4.15Å; L112-Y128 HydrophobicContact CD2-CD1 4.01Å; L112-Y128 HydrophobicContact CD2-CG 4.32Å; L112-Y128 HydrophobicContact CG-CD1 4.33Å; L112-Y128 HydrophobicContact CG-CE1 4.42Å; P113-Y128 HydrophobicContact CB-CE1 4.45Å; P113-Y128 WeakPolarHBondContact O-CE1 3.5Å; P113-Y128 PolarHBondContact O-OH 3.17Å; T115-Y128 HydrophobicContact CG2-CE1 3.63Å; T115-Y128 HydrophobicContact CG2-CE2 4.45Å; T115-Y128 VanDerWaalsContact CG2-OH 3.31Å; T115-Y128 WeakPolarHBondContact CG2-OH 3.31Å; T115-Y128 PolarHBondContact OG1-OH 3.27Å; V125-Y128 HydrophobicContact CB-CD2 3.86Å; V125-Y128 HydrophobicContact CB-CE2 3.9Å; V125-Y128 HydrophobicContact CG1-CD2 4.18Å; V125-Y128 HydrophobicContact CG1-CE2 3.69Å; V125-Y128 WeakPolarHBondContact O-CB 3.49Å; V125-Y128 PolarHBondContact O-N 2.8Å; D126-Y128 VanDerWaalsContact C-N 3.26Å; D126-Y128 PolarHBondContact O-N 3.47Å; Y128-F130 HydrophobicContact CD2-CE1 4.42Å; Y128-F130 HydrophobicContact CD2-CE2 4.13Å; Y128-F130 AromaticContact CD2-CZ 3.73Å; Y128-F130 HydrophobicContact CD2-CZ 3.73Å; Y128-F130 HydrophobicContact CG-CE2 4.28Å; Y128-F130 HydrophobicContact CG-CZ 4.27Å; Y128-F130 WeakPolarHBondContact O-CD2 3.41Å; Y128-F130 PolarHBondContact O-N 2.95Å; Y128-L158 HydrophobicContact CE2-CD1 4.35Å |
| 129 | P | 95 | Very high | 92.2 | Very high | 62 Ų | 62 | 58.7 Ų | 58.7 | 40% | 0.403 | 29% | 0.289 | S | S | . | . | trans | -81.2 | 62.8 | -178.4 | 35.5 | -35.6 | 0 | 0 | 0 | 110.4 | M107 L112 | M107-P129 HydrophobicContact CE-CG 4.2Å; M107-P129 HydrophobicContact SD-CG 3.99Å; L112-P129 HydrophobicContact CD2-CG 4.23Å | ||
| 130 | F | 95.8 | Very high | 92.7 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | trans | -65.5 | 138.9 | 180 | -65.9 | -72.4 | 0 | 0 | 0 | 111.9 | L101 L104 T105 V125 Y128 W132 N133 F154 F161 | L101-F130 HydrophobicContact CD2-CE1 4.03Å; L101-F130 HydrophobicContact CD2-CZ 4.42Å; L104-F130 HydrophobicContact CB-CD1 4.07Å; L104-F130 CarbonylContact O-C 3.58Å; L104-F130 WeakPolarHBondContact O-CA 3.33Å; T105-F130 HydrophobicContact CG2-CD1 3.7Å; T105-F130 HydrophobicContact CG2-CE1 4.07Å; T105-F130 HydrophobicContact CG2-CG 4.36Å; V125-F130 WeakPolarHBondContact O-CE2 3.24Å; Y128-F130 HydrophobicContact CD2-CE1 4.42Å; Y128-F130 HydrophobicContact CD2-CE2 4.13Å; Y128-F130 AromaticContact CD2-CZ 3.73Å; Y128-F130 HydrophobicContact CD2-CZ 3.73Å; Y128-F130 HydrophobicContact CG-CE2 4.28Å; Y128-F130 HydrophobicContact CG-CZ 4.27Å; Y128-F130 WeakPolarHBondContact O-CD2 3.41Å; Y128-F130 PolarHBondContact O-N 2.95Å; F130-W132 HydrophobicContact CB-CD2 3.52Å; F130-W132 HydrophobicContact CB-CE3 3.97Å; F130-W132 HydrophobicContact CB-CG 4.09Å; F130-W132 HydrophobicContact CB-CH2 3.89Å; F130-W132 HydrophobicContact CB-CZ2 3.42Å; F130-W132 VanDerWaalsContact CB-CZ2 3.42Å; F130-W132 HydrophobicContact CB-CZ3 4.14Å; F130-W132 HydrophobicContact CD1-CE3 4.4Å; F130-W132 AromaticContact CD1-CH2 3.21Å; F130-W132 HydrophobicContact CD1-CH2 3.21Å; F130-W132 AromaticContact CD1-CZ2 3.47Å; F130-W132 HydrophobicContact CD1-CZ2 3.47Å; F130-W132 VanDerWaalsContact CD1-CZ2 3.47Å; F130-W132 AromaticContact CD1-CZ3 3.74Å; F130-W132 HydrophobicContact CD1-CZ3 3.74Å; F130-W132 AromaticContact CD2-CE2 3.75Å; F130-W132 AromaticContact CD2-CH2 3.85Å; F130-W132 HydrophobicContact CD2-CH2 3.85Å; F130-W132 AromaticContact CD2-CZ2 3.18Å; F130-W132 HydrophobicContact CD2-CZ2 3.18Å; F130-W132 AromaticContact CE1-CH2 3.47Å; F130-W132 HydrophobicContact CE1-CH2 3.47Å; F130-W132 VanDerWaalsContact CE1-CH2 3.47Å; F130-W132 AromaticContact CE1-CZ2 3.89Å; F130-W132 HydrophobicContact CE1-CZ2 3.89Å; F130-W132 HydrophobicContact CE1-CZ3 4.28Å; F130-W132 HydrophobicContact CE2-CH2 4.05Å; F130-W132 AromaticContact CE2-CZ2 3.62Å; F130-W132 HydrophobicContact CE2-CZ2 3.62Å; F130-W132 HydrophobicContact CG-CD2 4.15Å; F130-W132 AromaticContact CG-CE2 3.48Å; F130-W132 VanDerWaalsContact CG-CE2 3.48Å; F130-W132 HydrophobicContact CG-CE3 4.38Å; F130-W132 AromaticContact CG-CH2 3.4Å; F130-W132 HydrophobicContact CG-CH2 3.4Å; F130-W132 AromaticContact CG-CZ2 3.07Å; F130-W132 HydrophobicContact CG-CZ2 3.07Å; F130-W132 HydrophobicContact CG-CZ3 4.05Å; F130-W132 AromaticContact CZ-CH2 3.88Å; F130-W132 HydrophobicContact CZ-CH2 3.88Å; F130-W132 AromaticContact CZ-CZ2 3.94Å; F130-W132 HydrophobicContact CZ-CZ2 3.94Å; F130-W132 PolarHBondContact O-N 3.08Å; F130-W132 VanDerWaalsContact O-N 3.13Å; F130-N133 VanDerWaalsContact O-CB 3.28Å; F130-N133 WeakPolarHBondContact O-CB 3.28Å; F130-N133 PolarHBondContact O-N 3.3Å; F130-F154 AromaticContact CE1-CE1 3.88Å; F130-F154 HydrophobicContact CE1-CE1 3.88Å; F130-F154 HydrophobicContact CE1-CE2 4.38Å; F130-F154 AromaticContact CE1-CZ 3.65Å; F130-F154 HydrophobicContact CE1-CZ 3.65Å; F130-F154 HydrophobicContact CZ-CD1 4.37Å; F130-F154 AromaticContact CZ-CE1 3.93Å; F130-F154 HydrophobicContact CZ-CE1 3.93Å; F130-F154 HydrophobicContact CZ-CE2 4.46Å; F130-F154 AromaticContact CZ-CZ 3.96Å; F130-F154 HydrophobicContact CZ-CZ 3.96Å; F130-F161 HydrophobicContact CD2-CE1 4.23Å; F130-F161 AromaticContact CE2-CE1 3.49Å; F130-F161 HydrophobicContact CE2-CE1 3.49Å; F130-F161 VanDerWaalsContact CE2-CE1 3.49Å; F130-F161 AromaticContact CE2-CZ 3.84Å; F130-F161 HydrophobicContact CE2-CZ 3.84Å; F130-F161 HydrophobicContact CZ-CE1 4.03Å; F130-F161 AromaticContact CZ-CZ 3.89Å; F130-F161 HydrophobicContact CZ-CZ 3.89Å | ||
| 131 | I | 94 | Very high | 93.4 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.7 | -31.1 | -178.5 | -166.5 | 170.4 | 0 | 0 | 0 | 113.2 | L104 N133 E134 L135 F217 Y337 L340 T341 I344 | L104-I131 HydrophobicContact CD2-CG2 3.95Å; L104-I131 WeakPolarHBondContact O-CB 3.41Å; L104-I131 PolarHBondContact O-N 3.39Å; I131-N133 PolarHBondContact O-N 2.88Å; I131-E134 PolarHBondContact O-N 3.43Å; I131-L135 HydrophobicContact CG1-CD1 3.99Å; I131-L135 HydrophobicContact CG1-CG 4.33Å; I131-L135 WeakPolarHBondContact O-CB 3.34Å; I131-L135 WeakPolarHBondContact O-CG 3.49Å; I131-L135 PolarHBondContact O-N 3.42Å; I131-F217 HydrophobicContact CG2-CE2 4.26Å; I131-F217 HydrophobicContact CG2-CZ 4.02Å; I131-Y337 HydrophobicContact CB-CE2 4.07Å; I131-Y337 HydrophobicContact CD1-CD2 4.41Å; I131-Y337 HydrophobicContact CD1-CE2 4.32Å; I131-Y337 HydrophobicContact CG1-CE2 4.44Å; I131-L340 HydrophobicContact CD1-CB 3.41Å; I131-L340 VanDerWaalsContact CD1-CB 3.41Å; I131-L340 HydrophobicContact CD1-CD1 4.14Å; I131-L340 HydrophobicContact CD1-CG 4.43Å; I131-T341 HydrophobicContact CD1-CG2 4.14Å; I131-I344 HydrophobicContact CD1-CD1 4.41Å; I131-I344 HydrophobicContact CG1-CD1 4.3Å |
| 132 | W | 95.5 | Very high | 94 | Very high | 3 Ų | 3 | 35 Ų | 35 | 1% | 0.011 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.5 | -23.2 | 177.3 | 60 | 69.7 | 0 | 0 | 0 | 112.9 | L104 F130 K136 T142 F154 F161 P165 T166 F217 | L104-W132 HydrophobicContact CB-CZ3 4.35Å; L104-W132 HydrophobicContact CD1-CE3 4.33Å; L104-W132 HydrophobicContact CD1-CH2 4.34Å; L104-W132 HydrophobicContact CD1-CZ3 3.51Å; L104-W132 HydrophobicContact CG-CZ3 4.34Å; F130-W132 HydrophobicContact CB-CD2 3.52Å; F130-W132 HydrophobicContact CB-CE3 3.97Å; F130-W132 HydrophobicContact CB-CG 4.09Å; F130-W132 HydrophobicContact CB-CH2 3.89Å; F130-W132 HydrophobicContact CB-CZ2 3.42Å; F130-W132 VanDerWaalsContact CB-CZ2 3.42Å; F130-W132 HydrophobicContact CB-CZ3 4.14Å; F130-W132 HydrophobicContact CD1-CE3 4.4Å; F130-W132 AromaticContact CD1-CH2 3.21Å; F130-W132 HydrophobicContact CD1-CH2 3.21Å; F130-W132 AromaticContact CD1-CZ2 3.47Å; F130-W132 HydrophobicContact CD1-CZ2 3.47Å; F130-W132 VanDerWaalsContact CD1-CZ2 3.47Å; F130-W132 AromaticContact CD1-CZ3 3.74Å; F130-W132 HydrophobicContact CD1-CZ3 3.74Å; F130-W132 AromaticContact CD2-CE2 3.75Å; F130-W132 AromaticContact CD2-CH2 3.85Å; F130-W132 HydrophobicContact CD2-CH2 3.85Å; F130-W132 AromaticContact CD2-CZ2 3.18Å; F130-W132 HydrophobicContact CD2-CZ2 3.18Å; F130-W132 AromaticContact CE1-CH2 3.47Å; F130-W132 HydrophobicContact CE1-CH2 3.47Å; F130-W132 VanDerWaalsContact CE1-CH2 3.47Å; F130-W132 AromaticContact CE1-CZ2 3.89Å; F130-W132 HydrophobicContact CE1-CZ2 3.89Å; F130-W132 HydrophobicContact CE1-CZ3 4.28Å; F130-W132 HydrophobicContact CE2-CH2 4.05Å; F130-W132 AromaticContact CE2-CZ2 3.62Å; F130-W132 HydrophobicContact CE2-CZ2 3.62Å; F130-W132 HydrophobicContact CG-CD2 4.15Å; F130-W132 AromaticContact CG-CE2 3.48Å; F130-W132 VanDerWaalsContact CG-CE2 3.48Å; F130-W132 HydrophobicContact CG-CE3 4.38Å; F130-W132 AromaticContact CG-CH2 3.4Å; F130-W132 HydrophobicContact CG-CH2 3.4Å; F130-W132 AromaticContact CG-CZ2 3.07Å; F130-W132 HydrophobicContact CG-CZ2 3.07Å; F130-W132 HydrophobicContact CG-CZ3 4.05Å; F130-W132 AromaticContact CZ-CH2 3.88Å; F130-W132 HydrophobicContact CZ-CH2 3.88Å; F130-W132 AromaticContact CZ-CZ2 3.94Å; F130-W132 HydrophobicContact CZ-CZ2 3.94Å; F130-W132 PolarHBondContact O-N 3.08Å; F130-W132 VanDerWaalsContact O-N 3.13Å; W132-K136 WeakPolarHBondContact O-CB 3.25Å; W132-K136 PolarHBondContact O-N 3.35Å; W132-T142 HydrophobicContact CB-CG2 4.07Å; W132-F154 HydrophobicContact CH2-CE2 4.38Å; W132-F161 HydrophobicContact CH2-CZ 4.1Å; W132-F161 AromaticContact CZ2-CE1 3.93Å; W132-F161 HydrophobicContact CZ2-CE1 3.93Å; W132-F161 AromaticContact CZ2-CZ 3.87Å; W132-F161 HydrophobicContact CZ2-CZ 3.87Å; W132-P165 HydrophobicContact CZ2-CB 4.04Å; W132-P165 PolarHBondContact NE1-O 3.19Å; W132-T166 HydrophobicContact CB-CG2 4.28Å; W132-T166 HydrophobicContact CD2-CG2 4.2Å; W132-T166 HydrophobicContact CG-CG2 3.94Å; W132-F217 HydrophobicContact CB-CD1 3.85Å; W132-F217 HydrophobicContact CB-CE1 3.74Å; W132-F217 HydrophobicContact CE3-CE1 4.19Å |
| 133 | N | 93.9 | Very high | 94.4 | Very high | 61 Ų | 61 | 34 Ų | 34 | 33% | 0.326 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -68.2 | -48.6 | 174.4 | -64.8 | -29.4 | 0 | 0 | 0 | 110.1 | F130 I131 K136 E137 | F130-N133 VanDerWaalsContact O-CB 3.28Å; F130-N133 WeakPolarHBondContact O-CB 3.28Å; F130-N133 PolarHBondContact O-N 3.3Å; I131-N133 PolarHBondContact O-N 2.88Å; N133-K136 PolarHBondContact O-N 3.25Å; N133-E137 WeakPolarHBondContact O-CG 3.37Å; N133-E137 PolarHBondContact O-N 2.78Å |
| 134 | E | 90 | Very high | 94.7 | Very high | 86 Ų | 86 | 31.1 Ų | 31.1 | 40% | 0.402 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -63.6 | -42 | 176.4 | -174.7 | 178.7 | 173.9 | 0 | 0 | 111.7 | I131 K136 E137 T138 | I131-E134 PolarHBondContact O-N 3.43Å; E134-K136 PolarHBondContact O-N 2.8Å; E134-E137 PolarHBondContact O-N 2.84Å; E134-T138 WeakPolarHBondContact O-CG2 3.45Å; E134-T138 PolarHBondContact O-N 2.59Å; E134-T138 VanDerWaalsContact O-N 3.11Å; E134-T138 PolarHBondContact O-OG1 2.96Å |
| 135 | L | 92.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.7 | -42.8 | 174.7 | -75.1 | 166.2 | 0 | 0 | 0 | 112 | I53 I131 E137 T138 G139 Y140 F217 I344 | I53-L135 HydrophobicContact CD1-CD1 4.39Å; I53-L135 HydrophobicContact CD1-CD2 4.17Å; I131-L135 HydrophobicContact CG1-CD1 3.99Å; I131-L135 HydrophobicContact CG1-CG 4.33Å; I131-L135 WeakPolarHBondContact O-CB 3.34Å; I131-L135 WeakPolarHBondContact O-CG 3.49Å; I131-L135 PolarHBondContact O-N 3.42Å; L135-E137 VanDerWaalsContact C-N 3.33Å; L135-E137 PolarHBondContact O-N 3.28Å; L135-T138 WeakPolarHBondContact CA-OG1 3.49Å; L135-T138 PolarHBondContact O-N 2.99Å; L135-T138 PolarHBondContact O-OG1 3.04Å; L135-G139 PolarHBondContact O-N 3.29Å; L135-Y140 HydrophobicContact CB-CD2 4.17Å; L135-Y140 HydrophobicContact CB-CG 4Å; L135-Y140 HydrophobicContact CD2-CD1 3.94Å; L135-Y140 HydrophobicContact CD2-CD2 3.66Å; L135-Y140 HydrophobicContact CD2-CE1 3.85Å; L135-Y140 HydrophobicContact CD2-CE2 3.55Å; L135-Y140 HydrophobicContact CD2-CG 3.86Å; L135-Y140 VanDerWaalsContact O-CB 3.31Å; L135-Y140 WeakPolarHBondContact O-CB 3.48Å; L135-Y140 WeakPolarHBondContact O-CD2 3.45Å; L135-Y140 PolarHBondContact O-N 3.09Å; L135-F217 HydrophobicContact CD1-CB 3.91Å; L135-F217 HydrophobicContact CD1-CD1 4.33Å; L135-F217 HydrophobicContact CD1-CD2 3.25Å; L135-F217 HydrophobicContact CD1-CE2 3.8Å; L135-F217 HydrophobicContact CD1-CG 3.56Å; L135-I344 HydrophobicContact CD1-CD1 4.43Å; L135-I344 HydrophobicContact CD2-CD1 3.29Å; L135-I344 HydrophobicContact CD2-CG1 3.49Å; L135-I344 VanDerWaalsContact CD2-CG1 3.49Å; L135-I344 HydrophobicContact CG-CD1 3.64Å; L135-I344 HydrophobicContact CG-CG1 4.39Å |
| 136 | K | 93.4 | Very high | 94.7 | Very high | 72 Ų | 72 | 28 Ų | 28 | 31% | 0.313 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -60.5 | -43.9 | 176.2 | 177.4 | 160.4 | 174.9 | 162.4 | 0 | 111 | R40 W132 N133 E134 T138 G139 T142 D167 | R40-K136 VanDerWaalsContact CD-O 3.23Å; R40-K136 WeakPolarHBondContact CD-O 3.44Å; W132-K136 WeakPolarHBondContact O-CB 3.25Å; W132-K136 PolarHBondContact O-N 3.35Å; N133-K136 PolarHBondContact O-N 3.25Å; E134-K136 PolarHBondContact O-N 2.8Å; K136-T138 PolarHBondContact O-N 3.38Å; K136-G139 PolarHBondContact O-N 3.02Å; K136-G139 VanDerWaalsContact O-N 3.11Å; K136-T142 HydrophobicContact CB-CG2 4.05Å; K136-D167 WeakPolarHBondContact CE-OD1 3.5Å; K136-D167 IonicContact NZ-OD1 3.71Å; K136-D167 PolarHBondContact NZ-OD1 3.45Å |
| 137 | E | 90 | Very high | 94.5 | Very high | 144 Ų | 144 | 25.5 Ų | 25.5 | 67% | 0.673 | 13% | 0.131 | S | C | * | . | H | α-helix | trans | -63 | -28.9 | 177.4 | -71.9 | 179.4 | 179.1 | 0 | 0 | 113.8 | N133 E134 L135 | N133-E137 WeakPolarHBondContact O-CG 3.37Å; N133-E137 PolarHBondContact O-N 2.78Å; E134-E137 PolarHBondContact O-N 2.84Å; L135-E137 VanDerWaalsContact C-N 3.33Å; L135-E137 PolarHBondContact O-N 3.28Å |
| 138 | T | 88 | Confident | 94.1 | Very high | 20 Ų | 20 | 23.8 Ų | 23.8 | 12% | 0.123 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -86.5 | -4.5 | 177.1 | 55.5 | 0 | 0 | 0 | 0 | 113.9 | R43 E134 L135 K136 I344 | R43-T138 PolarHBondContact N-O 3.1Å; E134-T138 WeakPolarHBondContact O-CG2 3.45Å; E134-T138 PolarHBondContact O-N 2.59Å; E134-T138 VanDerWaalsContact O-N 3.11Å; E134-T138 PolarHBondContact O-OG1 2.96Å; L135-T138 WeakPolarHBondContact CA-OG1 3.49Å; L135-T138 PolarHBondContact O-N 2.99Å; L135-T138 PolarHBondContact O-OG1 3.04Å; K136-T138 PolarHBondContact O-N 3.38Å; T138-I344 HydrophobicContact CG2-CG2 4.16Å |
| 139 | G | 91.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 112.6 | 5.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | A41 L135 K136 R214 | A41-G139 WeakPolarHBondContact O-CA 3.29Å; L135-G139 PolarHBondContact O-N 3.29Å; K136-G139 PolarHBondContact O-N 3.02Å; K136-G139 VanDerWaalsContact O-N 3.11Å; G139-R214 PolarHBondContact O-NH1 2.95Å |
| 140 | Y | 95 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -69.5 | 144 | 173.6 | -75 | -115.8 | 0 | 0 | 0 | 110.6 | R40 M44 L51 I53 L135 L215 F217 | R40-Y140 PolarHBondContact NH1-O 2.98Å; M44-Y140 HydrophobicContact SD-CE2 4.03Å; L51-Y140 WeakPolarHBondContact O-CE1 3.45Å; L51-Y140 PolarHBondContact O-OH 2.83Å; I53-Y140 HydrophobicContact CD1-CE1 4.41Å; I53-Y140 HydrophobicContact CG1-CE1 4.48Å; L135-Y140 HydrophobicContact CB-CD2 4.17Å; L135-Y140 HydrophobicContact CB-CG 4Å; L135-Y140 HydrophobicContact CD2-CD1 3.94Å; L135-Y140 HydrophobicContact CD2-CD2 3.66Å; L135-Y140 HydrophobicContact CD2-CE1 3.85Å; L135-Y140 HydrophobicContact CD2-CE2 3.55Å; L135-Y140 HydrophobicContact CD2-CG 3.86Å; L135-Y140 VanDerWaalsContact O-CB 3.31Å; L135-Y140 WeakPolarHBondContact O-CB 3.48Å; L135-Y140 WeakPolarHBondContact O-CD2 3.45Å; L135-Y140 PolarHBondContact O-N 3.09Å; Y140-L215 CarbonylContact C-O 3.58Å; Y140-L215 WeakPolarHBondContact CA-O 3.22Å; Y140-L215 HydrophobicContact CD1-CB 3.83Å; Y140-L215 HydrophobicContact CD2-CB 3.96Å; Y140-L215 HydrophobicContact CD2-CD1 4.16Å; Y140-L215 HydrophobicContact CE1-CB 3.92Å; Y140-L215 HydrophobicContact CE1-CD2 4.5Å; Y140-L215 HydrophobicContact CE2-CB 4.05Å; Y140-L215 HydrophobicContact CE2-CD1 3.68Å; Y140-L215 HydrophobicContact CE2-CG 4.39Å; Y140-L215 HydrophobicContact CG-CB 3.83Å; Y140-F217 HydrophobicContact CD1-CB 3.93Å | ||
| 141 | V | 97.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 136.3 | 157.9 | -167.3 | 0 | 0 | 0 | 0 | 108.3 | A37 D167 F206 Y210 R214 L215 K216 F217 | A37-V141 HydrophobicContact CB-CG1 3.95Å; A37-V141 HydrophobicContact CB-CG2 4.05Å; V141-D167 WeakPolarHBondContact CA-OD2 3.38Å; V141-D167 HydrophobicContact CG1-CB 3.79Å; V141-D167 WeakPolarHBondContact CG1-OD2 3.23Å; V141-F206 HydrophobicContact CB-CE2 4.02Å; V141-F206 HydrophobicContact CB-CZ 4.03Å; V141-F206 HydrophobicContact CG1-CE2 3.61Å; V141-F206 HydrophobicContact CG1-CZ 4.05Å; V141-Y210 HydrophobicContact CB-CE1 4.5Å; V141-Y210 HydrophobicContact CG1-CE1 4.13Å; V141-Y210 HydrophobicContact CG1-CE2 3.89Å; V141-Y210 HydrophobicContact CG2-CD1 3.99Å; V141-Y210 HydrophobicContact CG2-CE1 3.76Å; V141-Y210 HydrophobicContact CG2-CG 4.49Å; V141-R214 HydrophobicContact CG2-CG 3.5Å; V141-L215 PolarHBondContact N-O 3.4Å; V141-K216 WeakPolarHBondContact O-CA 3.33Å; V141-F217 PolarHBondContact O-N 3.39Å |
| 142 | T | 98.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 139.3 | -172.9 | 61.2 | 0 | 0 | 0 | 0 | 112.3 | W132 K136 T166 D167 H168 F217 | W132-T142 HydrophobicContact CB-CG2 4.07Å; K136-T142 HydrophobicContact CB-CG2 4.05Å; T142-T166 VanDerWaalsContact OG1-CA 3.3Å; T142-T166 WeakPolarHBondContact OG1-CA 3.4Å; T142-T166 WeakPolarHBondContact OG1-CB 3.26Å; T142-D167 PolarHBondContact N-OD2 3.45Å; T142-D167 WeakPolarHBondContact O-CA 3.04Å; T142-D167 WeakPolarHBondContact O-CB 3.43Å; T142-D167 PolarHBondContact O-N 3Å; T142-D167 PolarHBondContact OG1-N 3.47Å; T142-D167 VanDerWaalsContact OG1-N 3.1Å; T142-D167 PolarHBondContact OG1-OD2 3.21Å; T142-H168 PolarHBondContact O-N 3.4Å; T142-F217 CarbonylContact C-O 3.52Å; T142-F217 WeakPolarHBondContact CA-O 3.15Å; T142-F217 HydrophobicContact CG2-CB 4.3Å; T142-F217 HydrophobicContact CG2-CD1 4.4Å |
| 143 | L | 98.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 134.5 | 175.9 | -178 | 152.7 | 0 | 0 | 0 | 110.1 | I31 A145 H168 Y202 V203 F206 F217 A218 F219 | I31-L143 HydrophobicContact CD1-CD1 4.06Å; L143-A145 HydrophobicContact CD2-CB 3.81Å; L143-H168 WeakPolarHBondContact CA-O 3.25Å; L143-H168 HydrophobicContact CB-CB 4.03Å; L143-H168 HydrophobicContact CD1-CB 3.92Å; L143-H168 HydrophobicContact CG-CB 3.89Å; L143-Y202 HydrophobicContact CD1-CD1 3.91Å; L143-Y202 HydrophobicContact CD1-CE1 3.63Å; L143-Y202 HydrophobicContact CD2-CD1 4.39Å; L143-Y202 HydrophobicContact CD2-CE1 4.27Å; L143-Y202 HydrophobicContact CG-CD1 4.46Å; L143-Y202 HydrophobicContact CG-CE1 3.98Å; L143-V203 HydrophobicContact CD2-CG2 4.06Å; L143-F206 HydrophobicContact CB-CD1 4.06Å; L143-F206 HydrophobicContact CB-CD2 4.35Å; L143-F206 HydrophobicContact CB-CE1 3.91Å; L143-F206 HydrophobicContact CB-CE2 4.26Å; L143-F206 HydrophobicContact CB-CG 4.26Å; L143-F206 HydrophobicContact CB-CZ 4.04Å; L143-F206 HydrophobicContact CD1-CB 3.51Å; L143-F206 HydrophobicContact CD1-CD1 3.85Å; L143-F206 HydrophobicContact CD1-CD2 3.92Å; L143-F206 HydrophobicContact CD1-CG 3.48Å; L143-F206 VanDerWaalsContact CD1-CG 3.48Å; L143-F217 PolarHBondContact N-O 2.78Å; L143-A218 HydrophobicContact CB-CB 4.28Å; L143-A218 HydrophobicContact CD2-CB 4.27Å; L143-A218 WeakPolarHBondContact O-CA 3.44Å; L143-F219 PolarHBondContact O-N 3.1Å |
| 144 | Y | 98.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 120.7 | 169 | 176.3 | -158 | 0 | 0 | 0 | 109.8 | E146 F154 F161 P165 T166 H168 Y169 L170 F219 | Y144-E146 HydrophobicContact CE2-CB 3.75Å; Y144-E146 PolarHBondContact OH-OE2 2.89Å; Y144-F154 HydrophobicContact CE1-CD2 4.1Å; Y144-F154 HydrophobicContact CE1-CE2 4.16Å; Y144-F154 AromaticContact CZ-CE2 3.95Å; Y144-F154 WeakPolarHBondContact OH-CD2 3.23Å; Y144-F154 WeakPolarHBondContact OH-CE2 3.4Å; Y144-F161 HydrophobicContact CD1-CE2 4.47Å; Y144-F161 AromaticContact CE1-CE2 3.78Å; Y144-F161 HydrophobicContact CE1-CE2 3.78Å; Y144-F161 HydrophobicContact CE1-CZ 4.26Å; Y144-P165 HydrophobicContact CD1-CG 3.8Å; Y144-T166 WeakPolarHBondContact CB-OG1 3.24Å; Y144-T166 PolarHBondContact N-OG1 3.26Å; Y144-H168 PolarHBondContact N-O 2.73Å; Y144-Y169 AromaticContact CD1-CD2 3.81Å; Y144-Y169 HydrophobicContact CD1-CD2 3.81Å; Y144-Y169 AromaticContact CD1-CE2 3.44Å; Y144-Y169 HydrophobicContact CD1-CE2 3.44Å; Y144-Y169 VanDerWaalsContact CD1-CE2 3.44Å; Y144-Y169 AromaticContact CE1-CE2 3.73Å; Y144-Y169 HydrophobicContact CE1-CE2 3.73Å; Y144-Y169 HydrophobicContact CG-CD2 4.13Å; Y144-Y169 HydrophobicContact CG-CE2 4.11Å; Y144-Y169 WeakPolarHBondContact O-CA 3.29Å; Y144-Y169 WeakPolarHBondContact O-CD2 3.3Å; Y144-L170 PolarHBondContact O-N 2.84Å; Y144-F219 CarbonylContact C-O 3.42Å; Y144-F219 WeakPolarHBondContact CA-O 3.14Å; Y144-F219 AromaticContact CD2-CD1 3.63Å; Y144-F219 HydrophobicContact CD2-CD1 3.63Å; Y144-F219 HydrophobicContact CD2-CE1 4.35Å; Y144-F219 AromaticContact CE2-CD1 3.7Å; Y144-F219 HydrophobicContact CE2-CD1 3.7Å; Y144-F219 AromaticContact CE2-CE1 3.96Å; Y144-F219 HydrophobicContact CE2-CE1 3.96Å |
| 145 | A | 97.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 120.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L143 L170 Y202 F219 Q220 F221 | L143-A145 HydrophobicContact CD2-CB 3.81Å; A145-L170 HydrophobicContact CB-CB 3.79Å; A145-L170 HydrophobicContact CB-CD2 3.62Å; A145-L170 HydrophobicContact CB-CG 4.38Å; A145-Y202 HydrophobicContact CB-CD1 4.27Å; A145-F219 PolarHBondContact N-O 2.96Å; A145-Q220 HydrophobicContact CB-CB 4.28Å; A145-Q220 HydrophobicContact CB-CG 3.99Å; A145-Q220 CarbonylContact O-C 3.43Å; A145-Q220 VanDerWaalsContact O-CA 3.23Å; A145-Q220 WeakPolarHBondContact O-CA 3.44Å; A145-F221 PolarHBondContact O-N 2.94Å |
| 146 | E | 95.5 | Very high | 91.8 | Very high | 8 Ų | 8 | 25.5 Ų | 25.5 | 4% | 0.037 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 134.7 | 172.1 | -171.1 | 179.2 | -166.2 | 0 | 0 | 108.3 | Y144 G152 T153 F221 V223 | Y144-E146 HydrophobicContact CE2-CB 3.75Å; Y144-E146 PolarHBondContact OH-OE2 2.89Å; E146-G152 WeakPolarHBondContact OE1-CA 3.24Å; E146-T153 WeakPolarHBondContact OE1-CB 3.35Å; E146-T153 PolarHBondContact OE1-N 2.81Å; E146-T153 PolarHBondContact OE1-OG1 3.05Å; E146-T153 PolarHBondContact OE2-N 2.87Å; E146-F221 WeakPolarHBondContact CA-O 3.36Å; E146-F221 HydrophobicContact CG-CB 4.25Å; E146-V223 HydrophobicContact CG-CG2 3.91Å |
| 147 | D | 91.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -81.1 | -175.4 | 173 | 60.1 | -13 | 0 | 0 | 0 | 111.4 | Y174 V223 Q224 | D147-Y174 HydrophobicContact CB-CD2 4.33Å; D147-Y174 HydrophobicContact CB-CE1 4.19Å; D147-Y174 HydrophobicContact CB-CE2 3.74Å; D147-V223 WeakPolarHBondContact OD1-CB 3.12Å; D147-V223 PolarHBondContact OD1-N 2.77Å; D147-V223 PolarHBondContact OD2-N 2.87Å; D147-Q224 WeakPolarHBondContact OD2-CB 3.09Å; D147-Q224 WeakPolarHBondContact OD2-CG 3.3Å; D147-Q224 PolarHBondContact OD2-N 3.15Å; D147-Q224 PolarHBondContact OD2-OE1 2.91Å |
| 148 | K | 87.3 | Confident | 91.6 | Very high | 34 Ų | 34 | 16.4 Ų | 16.4 | 15% | 0.148 | 8% | 0.082 | C | C | . | . | trans | 44.6 | 61 | 178.5 | -59.7 | -64.2 | -178.8 | -172 | 0 | 113.5 | T150 L151 G152 D188 V223 Q224 | K148-T150 PolarHBondContact O-N 2.88Å; K148-L151 HydrophobicContact CB-CB 4.45Å; K148-L151 CarbonylContact O-C 3.55Å; K148-L151 PolarHBondContact O-N 2.85Å; K148-G152 PolarHBondContact O-N 2.84Å; K148-D188 IonicContact NZ-OD1 3.17Å; K148-V223 HydrophobicContact CB-CB 4.22Å; K148-V223 HydrophobicContact CB-CG1 4.19Å; K148-V223 HydrophobicContact CG-CB 4.32Å; K148-V223 HydrophobicContact CG-CG1 4.41Å; K148-Q224 HydrophobicContact CD-CB 4.43Å; K148-Q224 VanDerWaalsContact CE-CB 3.41Å; K148-Q224 HydrophobicContact CG-CB 4.13Å | ||
| 149 | P | 89 | Confident | 91.9 | Very high | 4 Ų | 4 | 18.9 Ų | 18.9 | 3% | 0.026 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -13.9 | -174 | 24.3 | -38.5 | 0 | 0 | 0 | 116.1 | R171 V175 E178 | P149-R171 HydrophobicContact CB-CG 3.83Å; P149-R171 PolarHBondContact O-NH2 2.7Å; P149-R171 VanDerWaalsContact O-NH2 3.07Å; P149-V175 HydrophobicContact CB-CG2 3.54Å; P149-V175 HydrophobicContact CG-CG2 3.87Å; P149-E178 VanDerWaalsContact CD-OE1 3.32Å; P149-E178 WeakPolarHBondContact CD-OE1 3.46Å; P149-E178 HydrophobicContact CG-CG 4.21Å; P149-E178 WeakPolarHBondContact CG-OE2 3.45Å |
| 150 | T | 82.1 | Confident | 92 | Very high | 89 Ų | 89 | 19 Ų | 19 | 55% | 0.546 | 9% | 0.093 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -24.2 | 172.4 | 40.5 | 0 | 0 | 0 | 0 | 113.6 | K148 E178 | K148-T150 PolarHBondContact O-N 2.88Å; T150-E178 WeakPolarHBondContact CG2-OE2 3.4Å; T150-E178 PolarHBondContact OG1-OE2 3.1Å |
| 151 | L | 82.8 | Confident | 92 | Very high | 54 Ų | 54 | 20.5 Ų | 20.5 | 28% | 0.283 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | 3.7 | 179.4 | -60.1 | 176.7 | 0 | 0 | 0 | 112.9 | K148 Y156 H227 | K148-L151 HydrophobicContact CB-CB 4.45Å; K148-L151 CarbonylContact O-C 3.55Å; K148-L151 PolarHBondContact O-N 2.85Å; L151-Y156 HydrophobicContact CD2-CD2 3.64Å; L151-Y156 HydrophobicContact CD2-CE2 3.48Å; L151-Y156 VanDerWaalsContact CD2-CE2 3.48Å; L151-Y156 HydrophobicContact CD2-CG 4.33Å; L151-H227 WeakPolarHBondContact CD1-NE2 3.07Å |
| 152 | G | 87.6 | Confident | 91.9 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | trans | -59 | 153.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | E146 K148 F154 Q155 Y156 | E146-G152 WeakPolarHBondContact OE1-CA 3.24Å; K148-G152 PolarHBondContact O-N 2.84Å; G152-F154 PolarHBondContact O-N 3.28Å; G152-Q155 PolarHBondContact O-N 3.32Å; G152-Y156 PolarHBondContact O-N 3.38Å; G152-Y156 VanDerWaalsContact O-N 3.08Å | ||
| 153 | T | 92.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -43.7 | -42.1 | -172.2 | -63.2 | 0 | 0 | 0 | 0 | 113.8 | I96 T97 V100 E146 | I96-T153 WeakPolarHBondContact CD1-OG1 3.22Å; I96-T153 HydrophobicContact CG1-CG2 4.39Å; I96-T153 WeakPolarHBondContact CG1-OG1 3.34Å; T97-T153 WeakPolarHBondContact CG2-O 3.4Å; T97-T153 PolarHBondContact OG1-O 2.71Å; V100-T153 HydrophobicContact CB-CG2 3.85Å; V100-T153 HydrophobicContact CG1-CG2 3.89Å; V100-T153 HydrophobicContact CG2-CG2 4.29Å; E146-T153 WeakPolarHBondContact OE1-CB 3.35Å; E146-T153 PolarHBondContact OE1-N 2.81Å; E146-T153 PolarHBondContact OE1-OG1 3.05Å; E146-T153 PolarHBondContact OE2-N 2.87Å |
| 154 | F | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | 2.5 | -173.1 | -53.8 | -66.6 | 0 | 0 | 0 | 114 | V100 L101 V125 F130 W132 Y144 G152 L158 G160 F161 | V100-F154 HydrophobicContact CG1-CZ 3.97Å; L101-F154 HydrophobicContact CD2-CE1 3.68Å; L101-F154 HydrophobicContact CG-CE1 4.02Å; V125-F154 HydrophobicContact CG1-CB 4.44Å; V125-F154 HydrophobicContact CG2-CB 4.16Å; F130-F154 AromaticContact CE1-CE1 3.88Å; F130-F154 HydrophobicContact CE1-CE1 3.88Å; F130-F154 HydrophobicContact CE1-CE2 4.38Å; F130-F154 AromaticContact CE1-CZ 3.65Å; F130-F154 HydrophobicContact CE1-CZ 3.65Å; F130-F154 HydrophobicContact CZ-CD1 4.37Å; F130-F154 AromaticContact CZ-CE1 3.93Å; F130-F154 HydrophobicContact CZ-CE1 3.93Å; F130-F154 HydrophobicContact CZ-CE2 4.46Å; F130-F154 AromaticContact CZ-CZ 3.96Å; F130-F154 HydrophobicContact CZ-CZ 3.96Å; W132-F154 HydrophobicContact CH2-CE2 4.38Å; Y144-F154 HydrophobicContact CE1-CD2 4.1Å; Y144-F154 HydrophobicContact CE1-CE2 4.16Å; Y144-F154 AromaticContact CZ-CE2 3.95Å; Y144-F154 WeakPolarHBondContact OH-CD2 3.23Å; Y144-F154 WeakPolarHBondContact OH-CE2 3.4Å; G152-F154 PolarHBondContact O-N 3.28Å; F154-L158 HydrophobicContact CD1-CD1 4.3Å; F154-L158 CarbonylContact O-C 3.54Å; F154-L158 WeakPolarHBondContact O-CB 3.35Å; F154-G160 WeakPolarHBondContact O-CA 3.29Å; F154-G160 PolarHBondContact O-N 3.03Å; F154-F161 HydrophobicContact CB-CE2 3.94Å; F154-F161 AromaticContact CD2-CE2 3.53Å; F154-F161 HydrophobicContact CD2-CE2 3.53Å; F154-F161 AromaticContact CD2-CZ 3.79Å; F154-F161 HydrophobicContact CD2-CZ 3.79Å; F154-F161 HydrophobicContact CE2-CE2 4.3Å; F154-F161 HydrophobicContact CE2-CZ 4.17Å; F154-F161 AromaticContact CG-CE2 3.94Å; F154-F161 HydrophobicContact CG-CE2 3.94Å; F154-F161 HydrophobicContact CG-CZ 4.19Å |
| 155 | Q | 91 | Very high | 91.6 | Very high | 28 Ų | 28 | 41.6 Ų | 41.6 | 13% | 0.131 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | -19.4 | -173 | -59.3 | 86.4 | -6.6 | 0 | 0 | 112.6 | G152 Y169 | G152-Q155 PolarHBondContact O-N 3.32Å; Q155-Y169 PolarHBondContact NE2-OH 3.39Å; Q155-Y169 VanDerWaalsContact NE2-OH 3.09Å |
| 156 | Y | 86.2 | Confident | 91.6 | Very high | 79 Ų | 79 | 41.8 Ų | 41.8 | 31% | 0.31 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -64.9 | -45.2 | 179.7 | -174.5 | -143.5 | 0 | 0 | 0 | 112.4 | L151 G152 F516 | L151-Y156 HydrophobicContact CD2-CD2 3.64Å; L151-Y156 HydrophobicContact CD2-CE2 3.48Å; L151-Y156 VanDerWaalsContact CD2-CE2 3.48Å; L151-Y156 HydrophobicContact CD2-CG 4.33Å; G152-Y156 PolarHBondContact O-N 3.38Å; G152-Y156 VanDerWaalsContact O-N 3.08Å; Y156-F516 HydrophobicContact CD1-CE1 4Å; Y156-F516 AromaticContact CD1-CZ 3.48Å; Y156-F516 HydrophobicContact CD1-CZ 3.48Å; Y156-F516 VanDerWaalsContact CD1-CZ 3.48Å; Y156-F516 HydrophobicContact CD2-CE2 4.22Å; Y156-F516 AromaticContact CD2-CZ 3.84Å; Y156-F516 HydrophobicContact CD2-CZ 3.84Å; Y156-F516 AromaticContact CE1-CE1 3.76Å; Y156-F516 HydrophobicContact CE1-CE1 3.76Å; Y156-F516 HydrophobicContact CE1-CE2 4.34Å; Y156-F516 AromaticContact CE1-CZ 3.24Å; Y156-F516 HydrophobicContact CE1-CZ 3.24Å; Y156-F516 AromaticContact CE2-CE2 3.94Å; Y156-F516 HydrophobicContact CE2-CE2 3.94Å; Y156-F516 AromaticContact CE2-CZ 3.6Å; Y156-F516 HydrophobicContact CE2-CZ 3.6Å; Y156-F516 HydrophobicContact CG-CE2 4.49Å; Y156-F516 AromaticContact CG-CZ 3.76Å; Y156-F516 HydrophobicContact CG-CZ 3.76Å; Y156-F516 AromaticContact CZ-CE2 3.99Å; Y156-F516 AromaticContact CZ-CZ 3.27Å |
| 157 | R | 87.3 | Confident | 91.7 | Very high | 22 Ų | 22 | 42.5 Ų | 42.5 | 8% | 0.083 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -127.5 | -14.9 | -176.5 | 69.9 | -169.7 | -178 | 81.8 | -3 | 115.1 | T97 E109 F117 F516 | T97-R157 PolarHBondContact OG1-NE 2.82Å; E109-R157 IonicContact OE1-CZ 3.66Å; E109-R157 IonicContact OE1-NH1 3.29Å; E109-R157 PolarHBondContact OE1-NH1 2.84Å; E109-R157 IonicContact OE1-NH2 2.77Å; E109-R157 PolarHBondContact OE1-NH2 2.83Å; E109-R157 IonicContact OE2-CZ 3.67Å; E109-R157 VanDerWaalsContact OE2-CZ 3.26Å; E109-R157 IonicContact OE2-NH1 3.56Å; E109-R157 PolarHBondContact OE2-NH1 3.33Å; E109-R157 VanDerWaalsContact OE2-NH1 3.13Å; E109-R157 IonicContact OE2-NH2 3.48Å; E109-R157 PolarHBondContact OE2-NH2 3.48Å; F117-R157 VanDerWaalsContact CD1-O 3.31Å; F117-R157 WeakPolarHBondContact CD1-O 3.44Å; F117-R157 PolarHBondContact N-O 3.19Å; R157-F516 HydrophobicContact CB-CD1 3.66Å; R157-F516 HydrophobicContact CB-CD2 4.26Å; R157-F516 HydrophobicContact CB-CE1 3.6Å; R157-F516 HydrophobicContact CB-CE2 4.19Å; R157-F516 HydrophobicContact CB-CG 3.96Å; R157-F516 HydrophobicContact CB-CZ 3.8Å; R157-F516 HydrophobicContact CG-CE1 4.47Å |
| 158 | L | 92 | Very high | 92.1 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -102 | 163.5 | 177.1 | -49.6 | -179.4 | 0 | 0 | 0 | 109.4 | T97 T115 R116 V125 Y128 F154 G160 | T97-L158 HydrophobicContact CG2-CD1 3.87Å; T115-L158 CarbonylContact O-C 3.53Å; T115-L158 WeakPolarHBondContact O-CA 3.43Å; R116-L158 HydrophobicContact CG-CD2 3.85Å; V125-L158 HydrophobicContact CG1-CB 3.9Å; V125-L158 HydrophobicContact CG1-CD1 3.8Å; Y128-L158 HydrophobicContact CE2-CD1 4.35Å; F154-L158 HydrophobicContact CD1-CD1 4.3Å; F154-L158 CarbonylContact O-C 3.54Å; F154-L158 WeakPolarHBondContact O-CB 3.35Å; L158-G160 PolarHBondContact O-N 2.94Å |
| 159 | K | 92.4 | Very high | 92.6 | Very high | 72 Ų | 72 | 42 Ų | 42 | 31% | 0.313 | 20% | 0.197 | S | C | . | . | trans | -63.6 | -7.9 | 178.9 | -82.4 | -166.1 | 169.7 | 178.1 | 0 | 114.1 | T115 F117 V122 F124 | T115-K159 WeakPolarHBondContact O-CG 3.35Å; T115-K159 PolarHBondContact O-N 3.05Å; F117-K159 HydrophobicContact CB-CG 3.95Å; V122-K159 HydrophobicContact CG2-CD 3.79Å; V122-K159 HydrophobicContact CG2-CG 4.32Å; V122-K159 PolarHBondContact O-NZ 3.16Å; F124-K159 HydrophobicContact CD1-CB 3.99Å; F124-K159 HydrophobicContact CE1-CB 4.46Å; F124-K159 HydrophobicContact CG-CB 4.39Å | ||
| 160 | G | 94.3 | Very high | 92.9 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | trans | 67.2 | -166.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F124 V125 F154 L158 | F124-G160 WeakPolarHBondContact CB-O 3.41Å; F124-G160 WeakPolarHBondContact CD1-O 3.25Å; V125-G160 VanDerWaalsContact CG2-C 3.44Å; V125-G160 VanDerWaalsContact CG2-O 3.29Å; V125-G160 WeakPolarHBondContact CG2-O 3.31Å; V125-G160 PolarHBondContact N-O 3.33Å; F154-G160 WeakPolarHBondContact O-CA 3.29Å; F154-G160 PolarHBondContact O-N 3.03Å; L158-G160 PolarHBondContact O-N 2.94Å | ||
| 161 | F | 95.6 | Very high | 93.5 | Very high | 32 Ų | 32 | 41 Ų | 41 | 14% | 0.14 | 18% | 0.183 | C | C | . | . | trans | -90.4 | 134 | 179.9 | -62.7 | -85.8 | 0 | 0 | 0 | 110.6 | V125 D126 F130 W132 Y144 F154 K163 P165 | V125-F161 HydrophobicContact CB-CE1 4.48Å; V125-F161 HydrophobicContact CG2-CB 4.45Å; V125-F161 HydrophobicContact CG2-CD1 3.42Å; V125-F161 VanDerWaalsContact CG2-CD1 3.42Å; V125-F161 HydrophobicContact CG2-CD2 3.81Å; V125-F161 HydrophobicContact CG2-CE1 3.4Å; V125-F161 VanDerWaalsContact CG2-CE1 3.4Å; V125-F161 HydrophobicContact CG2-CE2 3.78Å; V125-F161 HydrophobicContact CG2-CG 3.64Å; V125-F161 HydrophobicContact CG2-CZ 3.59Å; D126-F161 WeakPolarHBondContact OD2-CA 3.48Å; F130-F161 HydrophobicContact CD2-CE1 4.23Å; F130-F161 AromaticContact CE2-CE1 3.49Å; F130-F161 HydrophobicContact CE2-CE1 3.49Å; F130-F161 VanDerWaalsContact CE2-CE1 3.49Å; F130-F161 AromaticContact CE2-CZ 3.84Å; F130-F161 HydrophobicContact CE2-CZ 3.84Å; F130-F161 HydrophobicContact CZ-CE1 4.03Å; F130-F161 AromaticContact CZ-CZ 3.89Å; F130-F161 HydrophobicContact CZ-CZ 3.89Å; W132-F161 HydrophobicContact CH2-CZ 4.1Å; W132-F161 AromaticContact CZ2-CE1 3.93Å; W132-F161 HydrophobicContact CZ2-CE1 3.93Å; W132-F161 AromaticContact CZ2-CZ 3.87Å; W132-F161 HydrophobicContact CZ2-CZ 3.87Å; Y144-F161 HydrophobicContact CD1-CE2 4.47Å; Y144-F161 AromaticContact CE1-CE2 3.78Å; Y144-F161 HydrophobicContact CE1-CE2 3.78Å; Y144-F161 HydrophobicContact CE1-CZ 4.26Å; F154-F161 HydrophobicContact CB-CE2 3.94Å; F154-F161 AromaticContact CD2-CE2 3.53Å; F154-F161 HydrophobicContact CD2-CE2 3.53Å; F154-F161 AromaticContact CD2-CZ 3.79Å; F154-F161 HydrophobicContact CD2-CZ 3.79Å; F154-F161 HydrophobicContact CE2-CE2 4.3Å; F154-F161 HydrophobicContact CE2-CZ 4.17Å; F154-F161 AromaticContact CG-CE2 3.94Å; F154-F161 HydrophobicContact CG-CE2 3.94Å; F154-F161 HydrophobicContact CG-CZ 4.19Å; F161-K163 VanDerWaalsContact CB-O 3.3Å; F161-K163 WeakPolarHBondContact CB-O 3.47Å; F161-P165 HydrophobicContact CD1-CB 3.64Å; F161-P165 HydrophobicContact CD1-CG 4.11Å; F161-P165 HydrophobicContact CD2-CG 4.15Å; F161-P165 HydrophobicContact CE1-CB 3.57Å; F161-P165 HydrophobicContact CE1-CG 4.2Å; F161-P165 HydrophobicContact CE2-CB 4.47Å; F161-P165 HydrophobicContact CE2-CG 4.26Å; F161-P165 HydrophobicContact CG-CB 4.13Å; F161-P165 HydrophobicContact CG-CG 4.08Å; F161-P165 HydrophobicContact CZ-CB 4.01Å; F161-P165 HydrophobicContact CZ-CG 4.27Å | ||
| 162 | K | 95.4 | Very high | 94 | Very high | 154 Ų | 154 | 41.3 Ų | 41.3 | 67% | 0.67 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -79.4 | -43.5 | 170 | -170.9 | 175.8 | -177.8 | 177.6 | 0 | 111 | F124 D126 | F124-K162 HydrophobicContact CB-CB 3.99Å; F124-K162 HydrophobicContact CD1-CB 3.71Å; F124-K162 HydrophobicContact CD2-CB 3.77Å; F124-K162 HydrophobicContact CD2-CD 3.86Å; F124-K162 HydrophobicContact CD2-CG 4.22Å; F124-K162 HydrophobicContact CE1-CB 4.04Å; F124-K162 HydrophobicContact CE1-CG 4.43Å; F124-K162 HydrophobicContact CE2-CB 4.11Å; F124-K162 HydrophobicContact CE2-CD 3.74Å; F124-K162 HydrophobicContact CE2-CG 4.11Å; F124-K162 HydrophobicContact CG-CB 3.57Å; F124-K162 HydrophobicContact CG-CG 4.44Å; F124-K162 HydrophobicContact CZ-CB 4.23Å; F124-K162 HydrophobicContact CZ-CD 4.29Å; F124-K162 HydrophobicContact CZ-CG 4.21Å; D126-K162 PolarHBondContact OD1-N 2.92Å; D126-K162 PolarHBondContact OD2-N 2.81Å |
| 163 | K | 96.1 | Very high | 94.3 | Very high | 161 Ų | 161 | 41.5 Ų | 41.5 | 70% | 0.7 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -104.8 | 155.8 | 176.1 | -62.1 | -179.2 | -179.6 | 179.3 | 0 | 109.9 | D126 F161 P165 | D126-K163 WeakPolarHBondContact OD1-CB 3.45Å; D126-K163 PolarHBondContact OD1-N 3.33Å; F161-K163 VanDerWaalsContact CB-O 3.3Å; F161-K163 WeakPolarHBondContact CB-O 3.47Å; K163-P165 WeakPolarHBondContact O-CD 3.24Å |
| 164 | Q | 96 | Very high | 94.2 | Very high | 111 Ų | 111 | 41.9 Ų | 41.9 | 52% | 0.519 | 19% | 0.192 | S | C | . | . | trans | -58.7 | 124 | 172.4 | -168.8 | 176.1 | -63 | 0 | 0 | 109.6 | T166 D167 Y169 | Q164-T166 WeakPolarHBondContact CG-O 3.4Å; Q164-T166 PolarHBondContact NE2-O 3.19Å; Q164-T166 PolarHBondContact O-N 3.5Å; Q164-D167 VanDerWaalsContact NE2-C 3.35Å; Q164-D167 PolarHBondContact NE2-O 3.46Å; Q164-Y169 HydrophobicContact CG-CD1 3.94Å; Q164-Y169 HydrophobicContact CG-CG 4.09Å | ||
| 165 | P | 97.1 | Very high | 94.1 | Very high | 16 Ų | 16 | 43.8 Ų | 43.8 | 10% | 0.104 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -74.7 | -24.4 | -170.8 | 26.1 | -33.3 | 0 | 0 | 0 | 114.2 | W132 Y144 F161 K163 Y169 | W132-P165 HydrophobicContact CZ2-CB 4.04Å; W132-P165 PolarHBondContact NE1-O 3.19Å; Y144-P165 HydrophobicContact CD1-CG 3.8Å; F161-P165 HydrophobicContact CD1-CB 3.64Å; F161-P165 HydrophobicContact CD1-CG 4.11Å; F161-P165 HydrophobicContact CD2-CG 4.15Å; F161-P165 HydrophobicContact CE1-CB 3.57Å; F161-P165 HydrophobicContact CE1-CG 4.2Å; F161-P165 HydrophobicContact CE2-CB 4.47Å; F161-P165 HydrophobicContact CE2-CG 4.26Å; F161-P165 HydrophobicContact CG-CB 4.13Å; F161-P165 HydrophobicContact CG-CG 4.08Å; F161-P165 HydrophobicContact CZ-CB 4.01Å; F161-P165 HydrophobicContact CZ-CG 4.27Å; K163-P165 WeakPolarHBondContact O-CD 3.24Å; P165-Y169 HydrophobicContact CG-CD1 4.47Å; P165-Y169 HydrophobicContact CG-CD2 4.02Å; P165-Y169 HydrophobicContact CG-CE1 4.4Å; P165-Y169 HydrophobicContact CG-CE2 4Å; P165-Y169 HydrophobicContact CG-CG 4.25Å |
| 166 | T | 98 | Very high | 94 | Very high | 4 Ų | 4 | 48.8 Ų | 48.8 | 3% | 0.025 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -136 | 169 | -172.5 | 47.8 | 0 | 0 | 0 | 0 | 110.2 | W132 T142 Y144 Q164 H168 | W132-T166 HydrophobicContact CB-CG2 4.28Å; W132-T166 HydrophobicContact CD2-CG2 4.2Å; W132-T166 HydrophobicContact CG-CG2 3.94Å; T142-T166 VanDerWaalsContact OG1-CA 3.3Å; T142-T166 WeakPolarHBondContact OG1-CA 3.4Å; T142-T166 WeakPolarHBondContact OG1-CB 3.26Å; Y144-T166 WeakPolarHBondContact CB-OG1 3.24Å; Y144-T166 PolarHBondContact N-OG1 3.26Å; Q164-T166 WeakPolarHBondContact CG-O 3.4Å; Q164-T166 PolarHBondContact NE2-O 3.19Å; Q164-T166 PolarHBondContact O-N 3.5Å; T166-H168 PolarHBondContact O-N 3.26Å; T166-H168 PolarHBondContact OG1-O 2.86Å |
| 167 | D | 98.1 | Very high | 94 | Very high | 23 Ų | 23 | 45.6 Ų | 45.6 | 12% | 0.123 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -62.8 | -34.3 | 177.1 | -59.5 | -54.1 | 0 | 0 | 0 | 112.3 | R40 K136 V141 T142 Q164 | R40-D167 IonicContact CZ-OD1 3.66Å; R40-D167 IonicContact CZ-OD2 2.83Å; R40-D167 IonicContact NH1-OD1 3.94Å; R40-D167 IonicContact NH1-OD2 3.67Å; R40-D167 PolarHBondContact NH1-OD2 2.93Å; R40-D167 VanDerWaalsContact NH2-CG 3.33Å; R40-D167 IonicContact NH2-OD1 3.49Å; R40-D167 PolarHBondContact NH2-OD1 3.22Å; R40-D167 IonicContact NH2-OD2 3.5Å; R40-D167 PolarHBondContact NH2-OD2 2.79Å; K136-D167 WeakPolarHBondContact CE-OD1 3.5Å; K136-D167 IonicContact NZ-OD1 3.71Å; K136-D167 PolarHBondContact NZ-OD1 3.45Å; V141-D167 WeakPolarHBondContact CA-OD2 3.38Å; V141-D167 HydrophobicContact CG1-CB 3.79Å; V141-D167 WeakPolarHBondContact CG1-OD2 3.23Å; T142-D167 PolarHBondContact N-OD2 3.45Å; T142-D167 WeakPolarHBondContact O-CA 3.04Å; T142-D167 WeakPolarHBondContact O-CB 3.43Å; T142-D167 PolarHBondContact O-N 3Å; T142-D167 PolarHBondContact OG1-N 3.47Å; T142-D167 VanDerWaalsContact OG1-N 3.1Å; T142-D167 PolarHBondContact OG1-OD2 3.21Å; Q164-D167 VanDerWaalsContact NE2-C 3.35Å; Q164-D167 PolarHBondContact NE2-O 3.46Å |
| 168 | H | 98.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 1% | 0.014 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 130.1 | 177 | -65.4 | -68.9 | 0 | 0 | 0 | 110 | D10 I31 T142 L143 Y144 T166 Y202 F206 Y210 | D10-H168 IonicContact OD1-CE1 2.68Å; D10-H168 IonicContact OD1-ND1 3.81Å; D10-H168 PolarHBondContact OD1-ND1 3.07Å; D10-H168 IonicContact OD2-CE1 3.59Å; D10-H168 IonicContact OD2-CG 3.69Å; D10-H168 IonicContact OD2-ND1 2.76Å; D10-H168 PolarHBondContact OD2-ND1 3.3Å; I31-H168 HydrophobicContact CD1-CB 4.02Å; T142-H168 PolarHBondContact O-N 3.4Å; L143-H168 WeakPolarHBondContact CA-O 3.25Å; L143-H168 HydrophobicContact CB-CB 4.03Å; L143-H168 HydrophobicContact CD1-CB 3.92Å; L143-H168 HydrophobicContact CG-CB 3.89Å; Y144-H168 PolarHBondContact N-O 2.73Å; T166-H168 PolarHBondContact O-N 3.26Å; T166-H168 PolarHBondContact OG1-O 2.86Å; H168-Y202 WeakPolarHBondContact CB-OH 3.38Å; H168-F206 AromaticContact CD2-CD2 3.64Å; H168-F206 AromaticContact CD2-CE2 3.54Å; H168-Y210 AromaticContact NE2-CE2 3.4Å; H168-Y210 WeakPolarHBondContact NE2-CE2 3.25Å; H168-Y210 AromaticContact NE2-CZ 3.47Å; H168-Y210 PolarHBondContact NE2-OH 2.68Å |
| 169 | Y | 97.7 | Very high | 93.4 | Very high | 23 Ų | 23 | 51.9 Ų | 51.9 | 9% | 0.09 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 106.4 | -173.1 | -176.7 | -138.6 | 0 | 0 | 0 | 112.7 | F11 Y144 Q155 Q164 P165 R171 Y202 | F11-Y169 VanDerWaalsContact CE2-O 3.23Å; F11-Y169 WeakPolarHBondContact CE2-O 3.44Å; F11-Y169 WeakPolarHBondContact CZ-O 3.41Å; Y144-Y169 AromaticContact CD1-CD2 3.81Å; Y144-Y169 HydrophobicContact CD1-CD2 3.81Å; Y144-Y169 AromaticContact CD1-CE2 3.44Å; Y144-Y169 HydrophobicContact CD1-CE2 3.44Å; Y144-Y169 VanDerWaalsContact CD1-CE2 3.44Å; Y144-Y169 AromaticContact CE1-CE2 3.73Å; Y144-Y169 HydrophobicContact CE1-CE2 3.73Å; Y144-Y169 HydrophobicContact CG-CD2 4.13Å; Y144-Y169 HydrophobicContact CG-CE2 4.11Å; Y144-Y169 WeakPolarHBondContact O-CA 3.29Å; Y144-Y169 WeakPolarHBondContact O-CD2 3.3Å; Q155-Y169 PolarHBondContact NE2-OH 3.39Å; Q155-Y169 VanDerWaalsContact NE2-OH 3.09Å; Q164-Y169 HydrophobicContact CG-CD1 3.94Å; Q164-Y169 HydrophobicContact CG-CG 4.09Å; P165-Y169 HydrophobicContact CG-CD1 4.47Å; P165-Y169 HydrophobicContact CG-CD2 4.02Å; P165-Y169 HydrophobicContact CG-CE1 4.4Å; P165-Y169 HydrophobicContact CG-CE2 4Å; P165-Y169 HydrophobicContact CG-CG 4.25Å; Y169-R171 VanDerWaalsContact C-N 3.26Å; Y169-R171 HydrophobicContact CD1-CB 4.14Å; Y169-R171 HydrophobicContact CD2-CB 4.15Å; Y169-R171 HydrophobicContact CE1-CB 3.64Å; Y169-R171 HydrophobicContact CE1-CG 4.46Å; Y169-R171 HydrophobicContact CE2-CB 3.59Å; Y169-R171 HydrophobicContact CG-CB 4.41Å; Y169-R171 PolarHBondContact O-N 3.34Å; Y169-R171 WeakPolarHBondContact OH-CD 3.37Å; Y169-Y202 PolarHBondContact N-OH 2.92Å |
| 170 | L | 96.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -24.9 | -170.6 | -170.2 | 56.4 | 0 | 0 | 0 | 114.3 | F11 Y144 A145 S172 M173 Y174 Q199 Y202 | F11-L170 HydrophobicContact CE1-CD1 3.72Å; F11-L170 HydrophobicContact CZ-CD1 4.19Å; Y144-L170 PolarHBondContact O-N 2.84Å; A145-L170 HydrophobicContact CB-CB 3.79Å; A145-L170 HydrophobicContact CB-CD2 3.62Å; A145-L170 HydrophobicContact CB-CG 4.38Å; L170-S172 VanDerWaalsContact C-N 3.26Å; L170-S172 PolarHBondContact O-N 3.49Å; L170-S172 VanDerWaalsContact O-N 3.11Å; L170-M173 PolarHBondContact O-N 3.45Å; L170-M173 VanDerWaalsContact O-N 3.15Å; L170-Y174 HydrophobicContact CD2-CD2 4.07Å; L170-Y174 HydrophobicContact CD2-CE2 3.46Å; L170-Y174 VanDerWaalsContact CD2-CE2 3.46Å; L170-Y174 HydrophobicContact CG-CD2 3.81Å; L170-Y174 HydrophobicContact CG-CE2 3.72Å; L170-Q199 HydrophobicContact CD2-CB 4.09Å; L170-Q199 HydrophobicContact CD2-CG 3.67Å; L170-Y202 HydrophobicContact CB-CD1 4.12Å; L170-Y202 HydrophobicContact CB-CE1 3.87Å; L170-Y202 HydrophobicContact CD1-CD1 3.84Å; L170-Y202 HydrophobicContact CD1-CD2 4.44Å; L170-Y202 HydrophobicContact CD1-CE1 4.06Å; L170-Y202 HydrophobicContact CD1-CG 4.03Å; L170-Y202 HydrophobicContact CD2-CD1 4.23Å; L170-Y202 HydrophobicContact CG-CD1 4.28Å; L170-Y202 HydrophobicContact CG-CE1 4.44Å |
| 171 | R | 94.6 | Very high | 91.6 | Very high | 70 Ų | 70 | 52.5 Ų | 52.5 | 26% | 0.264 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -56.2 | -36.6 | -167.3 | -169.9 | -178.7 | 177.2 | -90.7 | -2.6 | 113.7 | P149 Y169 M173 Y174 V175 | P149-R171 HydrophobicContact CB-CG 3.83Å; P149-R171 PolarHBondContact O-NH2 2.7Å; P149-R171 VanDerWaalsContact O-NH2 3.07Å; Y169-R171 VanDerWaalsContact C-N 3.26Å; Y169-R171 HydrophobicContact CD1-CB 4.14Å; Y169-R171 HydrophobicContact CD2-CB 4.15Å; Y169-R171 HydrophobicContact CE1-CB 3.64Å; Y169-R171 HydrophobicContact CE1-CG 4.46Å; Y169-R171 HydrophobicContact CE2-CB 3.59Å; Y169-R171 HydrophobicContact CG-CB 4.41Å; Y169-R171 PolarHBondContact O-N 3.34Å; Y169-R171 WeakPolarHBondContact OH-CD 3.37Å; R171-M173 VanDerWaalsContact C-N 3.28Å; R171-M173 PolarHBondContact O-N 2.76Å; R171-Y174 PolarHBondContact O-N 3.26Å; R171-V175 HydrophobicContact CG-CG2 4.01Å; R171-V175 WeakPolarHBondContact O-CG2 3.46Å; R171-V175 PolarHBondContact O-N 2.76Å |
| 172 | S | 93 | Very high | 89.9 | Confident | 61 Ų | 61 | 60.7 Ų | 60.7 | 43% | 0.427 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.5 | -37.1 | -176.4 | 55.6 | 0 | 0 | 0 | 0 | 112.3 | F11 L170 R176 | F11-S172 WeakPolarHBondContact CD2-OG 3.19Å; F11-S172 WeakPolarHBondContact CE2-OG 3.12Å; L170-S172 VanDerWaalsContact C-N 3.26Å; L170-S172 PolarHBondContact O-N 3.49Å; L170-S172 VanDerWaalsContact O-N 3.11Å; S172-R176 PolarHBondContact O-N 3.24Å; S172-R176 VanDerWaalsContact O-N 3.11Å |
| 173 | M | 92.9 | Very high | 88.3 | Confident | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.02 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.2 | -48.4 | 173.8 | -174.4 | 169 | 112.3 | 0 | 0 | 111.7 | F11 A29 L170 R171 V175 R176 R177 F190 V198 | F11-M173 HydrophobicContact CB-CB 4.19Å; F11-M173 HydrophobicContact CB-CG 4.46Å; F11-M173 HydrophobicContact CB-SD 4.42Å; F11-M173 HydrophobicContact CD1-CB 3.67Å; F11-M173 HydrophobicContact CD1-CG 4.15Å; F11-M173 HydrophobicContact CD1-SD 3.57Å; F11-M173 VanDerWaalsContact CD1-SD 3.57Å; F11-M173 HydrophobicContact CD2-CB 4.22Å; F11-M173 HydrophobicContact CE1-CB 4.12Å; F11-M173 HydrophobicContact CE1-SD 4.27Å; F11-M173 HydrophobicContact CG-CB 3.73Å; F11-M173 HydrophobicContact CG-CG 4.38Å; F11-M173 HydrophobicContact CG-SD 4.27Å; A29-M173 HydrophobicContact CB-CE 3.94Å; A29-M173 HydrophobicContact CB-SD 3.71Å; L170-M173 PolarHBondContact O-N 3.45Å; L170-M173 VanDerWaalsContact O-N 3.15Å; R171-M173 VanDerWaalsContact C-N 3.28Å; R171-M173 PolarHBondContact O-N 2.76Å; M173-V175 PolarHBondContact O-N 3.1Å; M173-R176 PolarHBondContact O-N 3.19Å; M173-R177 PolarHBondContact O-N 2.77Å; M173-F190 HydrophobicContact CE-CD1 3.91Å; M173-F190 HydrophobicContact CE-CD2 4.25Å; M173-F190 HydrophobicContact CE-CE1 3.27Å; M173-F190 HydrophobicContact CE-CE2 3.66Å; M173-F190 HydrophobicContact CE-CG 4.36Å; M173-F190 HydrophobicContact CE-CZ 3.14Å; M173-F190 HydrophobicContact CG-CE1 4.17Å; M173-F190 HydrophobicContact CG-CZ 4.46Å; M173-F190 HydrophobicContact SD-CE1 4.39Å; M173-V198 HydrophobicContact CE-CG1 3.6Å |
| 174 | Y | 91.7 | Very high | 86.4 | Confident | 10 Ų | 10 | 53.1 Ų | 53.1 | 4% | 0.039 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.6 | -39.2 | 179.1 | -81.4 | -63.8 | 0 | 0 | 0 | 112.7 | D147 L170 R171 R176 R177 E178 F190 A195 Q199 | D147-Y174 HydrophobicContact CB-CD2 4.33Å; D147-Y174 HydrophobicContact CB-CE1 4.19Å; D147-Y174 HydrophobicContact CB-CE2 3.74Å; L170-Y174 HydrophobicContact CD2-CD2 4.07Å; L170-Y174 HydrophobicContact CD2-CE2 3.46Å; L170-Y174 VanDerWaalsContact CD2-CE2 3.46Å; L170-Y174 HydrophobicContact CG-CD2 3.81Å; L170-Y174 HydrophobicContact CG-CE2 3.72Å; R171-Y174 PolarHBondContact O-N 3.26Å; Y174-R176 VanDerWaalsContact C-N 3.33Å; Y174-R176 PolarHBondContact O-N 3.39Å; Y174-R177 PolarHBondContact O-N 3.25Å; Y174-E178 WeakPolarHBondContact O-CG 3.31Å; Y174-E178 PolarHBondContact O-N 2.93Å; Y174-F190 HydrophobicContact CD1-CE2 4.35Å; Y174-F190 AromaticContact CD1-CZ 3.77Å; Y174-F190 HydrophobicContact CD1-CZ 3.77Å; Y174-F190 AromaticContact CE1-CE2 3.59Å; Y174-F190 HydrophobicContact CE1-CE2 3.59Å; Y174-F190 AromaticContact CE1-CZ 3.48Å; Y174-F190 HydrophobicContact CE1-CZ 3.48Å; Y174-F190 VanDerWaalsContact CE1-CZ 3.48Å; Y174-A195 PolarHBondContact OH-O 3.1Å; Y174-Q199 PolarHBondContact OH-OE1 2.79Å |
| 175 | V | 91.1 | Very high | 84.4 | Confident | 40 Ų | 40 | 56.3 Ų | 56.3 | 24% | 0.242 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.8 | -45.8 | 176 | 169.1 | 0 | 0 | 0 | 0 | 110.3 | P149 R171 M173 R177 E178 N179 | P149-V175 HydrophobicContact CB-CG2 3.54Å; P149-V175 HydrophobicContact CG-CG2 3.87Å; R171-V175 HydrophobicContact CG-CG2 4.01Å; R171-V175 WeakPolarHBondContact O-CG2 3.46Å; R171-V175 PolarHBondContact O-N 2.76Å; M173-V175 PolarHBondContact O-N 3.1Å; V175-R177 VanDerWaalsContact C-N 3.32Å; V175-R177 PolarHBondContact O-N 2.91Å; V175-E178 PolarHBondContact O-N 3.38Å; V175-N179 WeakPolarHBondContact O-CB 3.45Å; V175-N179 VanDerWaalsContact O-CG 3.29Å; V175-N179 PolarHBondContact O-N 3.21Å; V175-N179 PolarHBondContact O-ND2 3.17Å |
| 176 | R | 89.7 | Confident | 82.6 | Confident | 132 Ų | 132 | 60.3 Ų | 60.3 | 50% | 0.498 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 178.7 | -178.8 | 63.1 | -169.3 | 167.3 | 15.7 | 111.1 | Y27 S172 M173 Y174 N179 D180 | Y27-R176 HydrophobicContact CD1-CG 4.46Å; Y27-R176 HydrophobicContact CE1-CB 4.44Å; Y27-R176 HydrophobicContact CE1-CG 3.53Å; Y27-R176 HydrophobicContact CE2-CG 4.5Å; Y27-R176 WeakPolarHBondContact OH-CG 3.37Å; Y27-R176 PolarHBondContact OH-NE 3.06Å; Y27-R176 VanDerWaalsContact OH-NE 3.1Å; S172-R176 PolarHBondContact O-N 3.24Å; S172-R176 VanDerWaalsContact O-N 3.11Å; M173-R176 PolarHBondContact O-N 3.19Å; Y174-R176 VanDerWaalsContact C-N 3.33Å; Y174-R176 PolarHBondContact O-N 3.39Å; R176-N179 PolarHBondContact O-N 2.96Å; R176-D180 IonicContact CZ-OD1 2.62Å; R176-D180 IonicContact CZ-OD2 3.46Å; R176-D180 IonicContact NE-OD1 3.88Å; R176-D180 PolarHBondContact NE-OD1 2.94Å; R176-D180 IonicContact NE-OD2 3.43Å; R176-D180 PolarHBondContact NE-OD2 3.45Å; R176-D180 IonicContact NH1-OD1 3.13Å; R176-D180 VanDerWaalsContact NH2-CG 3.3Å; R176-D180 IonicContact NH2-OD1 2.64Å; R176-D180 PolarHBondContact NH2-OD1 2.76Å; R176-D180 IonicContact NH2-OD2 3.26Å; R176-D180 PolarHBondContact NH2-OD2 2.73Å; R176-D180 PolarHBondContact O-N 3.14Å; R176-D180 VanDerWaalsContact O-N 3.15Å |
| 177 | R | 85.4 | Confident | 81.1 | Confident | 12 Ų | 12 | 64.4 Ų | 64.4 | 5% | 0.045 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.8 | -46 | 176.6 | 175.3 | 167.3 | 172 | -148.5 | -7.2 | 112.9 | Y27 M173 Y174 V175 N179 D180 S181 L186 K187 C189 F190 | Y27-R177 HydrophobicContact CD2-CB 4.35Å; M173-R177 PolarHBondContact O-N 2.77Å; Y174-R177 PolarHBondContact O-N 3.25Å; V175-R177 VanDerWaalsContact C-N 3.32Å; V175-R177 PolarHBondContact O-N 2.91Å; R177-N179 VanDerWaalsContact C-N 3.27Å; R177-N179 PolarHBondContact O-N 3.47Å; R177-D180 PolarHBondContact O-N 3.47Å; R177-S181 VanDerWaalsContact O-CB 3.3Å; R177-S181 WeakPolarHBondContact O-CB 3.42Å; R177-S181 PolarHBondContact O-N 3.12Å; R177-S181 PolarHBondContact O-OG 3.11Å; R177-L186 PolarHBondContact NH2-O 3.41Å; R177-K187 PolarHBondContact NH2-O 3.38Å; R177-C189 VanDerWaalsContact CZ-O 3.22Å; R177-C189 PolarHBondContact NH2-O 2.77Å; R177-F190 HydrophobicContact CB-CE1 4.21Å; R177-F190 VanDerWaalsContact CD-CD1 3.45Å; R177-F190 HydrophobicContact CG-CE1 4.22Å; R177-F190 VanDerWaalsContact NH1-CG 3.31Å |
| 178 | E | 82.5 | Confident | 80.2 | Confident | 46 Ų | 46 | 66.3 Ų | 66.3 | 22% | 0.215 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63 | -34.9 | 178.9 | -75.5 | -166.4 | 173.6 | 0 | 0 | 112 | P149 T150 Y174 V175 | P149-E178 VanDerWaalsContact CD-OE1 3.32Å; P149-E178 WeakPolarHBondContact CD-OE1 3.46Å; P149-E178 HydrophobicContact CG-CG 4.21Å; P149-E178 WeakPolarHBondContact CG-OE2 3.45Å; T150-E178 WeakPolarHBondContact CG2-OE2 3.4Å; T150-E178 PolarHBondContact OG1-OE2 3.1Å; Y174-E178 WeakPolarHBondContact O-CG 3.31Å; Y174-E178 PolarHBondContact O-N 2.93Å; V175-E178 PolarHBondContact O-N 3.38Å |
| 179 | N | 84.4 | Confident | 79.5 | Confident | 112 Ų | 112 | 68.4 Ų | 68.4 | 60% | 0.599 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -72.4 | -31.1 | 176.5 | -72.1 | -16.4 | 0 | 0 | 0 | 113.6 | V175 R176 R177 | V175-N179 WeakPolarHBondContact O-CB 3.45Å; V175-N179 VanDerWaalsContact O-CG 3.29Å; V175-N179 PolarHBondContact O-N 3.21Å; V175-N179 PolarHBondContact O-ND2 3.17Å; R176-N179 PolarHBondContact O-N 2.96Å; R177-N179 VanDerWaalsContact C-N 3.27Å; R177-N179 PolarHBondContact O-N 3.47Å |
| 180 | D | 81.1 | Confident | 79 | Confident | 63 Ų | 63 | 67.3 Ų | 67.3 | 34% | 0.337 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -88.4 | -24.3 | -178.2 | -76.8 | 9.5 | 0 | 0 | 0 | 112.9 | Y27 R176 R177 F182 | Y27-D180 PolarHBondContact OH-OD2 3.27Å; R176-D180 IonicContact CZ-OD1 2.62Å; R176-D180 IonicContact CZ-OD2 3.46Å; R176-D180 IonicContact NE-OD1 3.88Å; R176-D180 PolarHBondContact NE-OD1 2.94Å; R176-D180 IonicContact NE-OD2 3.43Å; R176-D180 PolarHBondContact NE-OD2 3.45Å; R176-D180 IonicContact NH1-OD1 3.13Å; R176-D180 VanDerWaalsContact NH2-CG 3.3Å; R176-D180 IonicContact NH2-OD1 2.64Å; R176-D180 PolarHBondContact NH2-OD1 2.76Å; R176-D180 IonicContact NH2-OD2 3.26Å; R176-D180 PolarHBondContact NH2-OD2 2.73Å; R176-D180 PolarHBondContact O-N 3.14Å; R176-D180 VanDerWaalsContact O-N 3.15Å; R177-D180 PolarHBondContact O-N 3.47Å; D180-F182 PolarHBondContact O-N 3.21Å |
| 181 | S | 69.3 | Low | 78.4 | Confident | 25 Ų | 25 | 69.5 Ų | 69.5 | 18% | 0.175 | 36% | 0.359 | C | S | . | . | trans | -92 | 93.1 | -174 | -51.6 | 0 | 0 | 0 | 0 | 111.3 | R177 D183 | R177-S181 VanDerWaalsContact O-CB 3.3Å; R177-S181 WeakPolarHBondContact O-CB 3.42Å; R177-S181 PolarHBondContact O-N 3.12Å; R177-S181 PolarHBondContact O-OG 3.11Å; S181-D183 VanDerWaalsContact C-N 3.26Å | ||
| 182 | F | 59.8 | Low | 77.9 | Confident | 203 Ų | 203 | 73.5 Ų | 73.5 | 89% | 0.89 | 39% | 0.386 | S | S | * | . | trans | -69.6 | -24.8 | 169.2 | -73.6 | -82.4 | 0 | 0 | 0 | 112.6 | D180 S184 | D180-F182 PolarHBondContact O-N 3.21Å; F182-S184 PolarHBondContact O-N 2.91Å | ||
| 183 | D | 60.3 | Low | 77.7 | Confident | 74 Ų | 74 | 73.2 Ų | 73.2 | 40% | 0.396 | 38% | 0.378 | S | S | . | . | trans | -83.6 | 117.3 | 179 | -166.9 | -14.4 | 0 | 0 | 0 | 110.7 | S181 K185 L186 | S181-D183 VanDerWaalsContact C-N 3.26Å; D183-K185 PolarHBondContact O-N 3.1Å; D183-K185 WeakPolarHBondContact OD1-CB 3.5Å; D183-K185 PolarHBondContact OD1-N 3.02Å; D183-L186 HydrophobicContact CB-CB 4.34Å; D183-L186 HydrophobicContact CB-CD1 3.98Å; D183-L186 HydrophobicContact CB-CG 4.07Å; D183-L186 PolarHBondContact O-N 2.86Å | ||
| 184 | S | 57.4 | Low | 77.5 | Confident | 82 Ų | 82 | 74.5 Ų | 74.5 | 57% | 0.573 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -60 | -26.3 | 174.9 | 56.2 | 0 | 0 | 0 | 0 | 113 | F182 K187 | F182-S184 PolarHBondContact O-N 2.91Å; S184-K187 WeakPolarHBondContact O-CB 3.26Å; S184-K187 WeakPolarHBondContact O-CG 3.47Å; S184-K187 PolarHBondContact O-N 3.28Å |
| 185 | K | 53.9 | Low | 77.4 | Confident | 178 Ų | 178 | 74 Ų | 74 | 77% | 0.774 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -75 | -25.8 | 178.9 | -63.1 | -177.2 | 179.5 | -179.7 | 0 | 113.3 | D183 K187 | D183-K185 PolarHBondContact O-N 3.1Å; D183-K185 WeakPolarHBondContact OD1-CB 3.5Å; D183-K185 PolarHBondContact OD1-N 3.02Å; K185-K187 PolarHBondContact O-N 3.32Å |
| 186 | L | 58.2 | Low | 77.4 | Confident | 100 Ų | 100 | 72.1 Ų | 72.1 | 52% | 0.524 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -80.8 | 2.8 | 176.2 | -67.9 | 175.1 | 0 | 0 | 0 | 112.7 | R177 D183 D188 | R177-L186 PolarHBondContact NH2-O 3.41Å; D183-L186 HydrophobicContact CB-CB 4.34Å; D183-L186 HydrophobicContact CB-CD1 3.98Å; D183-L186 HydrophobicContact CB-CG 4.07Å; D183-L186 PolarHBondContact O-N 2.86Å; L186-D188 VanDerWaalsContact C-N 3.33Å; L186-D188 PolarHBondContact O-N 2.97Å |
| 187 | K | 68 | Low | 77.5 | Confident | 90 Ų | 90 | 69.9 Ų | 69.9 | 39% | 0.391 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -77 | -15.3 | -175.8 | -67.4 | -175.3 | 177.5 | -175.8 | 0 | 114.4 | R177 S184 K185 | R177-K187 PolarHBondContact NH2-O 3.38Å; S184-K187 WeakPolarHBondContact O-CB 3.26Å; S184-K187 WeakPolarHBondContact O-CG 3.47Å; S184-K187 PolarHBondContact O-N 3.28Å; K185-K187 PolarHBondContact O-N 3.32Å |
| 188 | D | 77.7 | Confident | 77.9 | Confident | 63 Ų | 63 | 69.7 Ų | 69.7 | 34% | 0.337 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -106.7 | -11 | -175.9 | -59.4 | -27.3 | 0 | 0 | 0 | 114.1 | K148 L186 A195 | K148-D188 IonicContact NZ-OD1 3.17Å; L186-D188 VanDerWaalsContact C-N 3.33Å; L186-D188 PolarHBondContact O-N 2.97Å; D188-A195 WeakPolarHBondContact O-CB 3.42Å; D188-A195 PolarHBondContact O-N 2.83Å |
| 189 | C | 84.1 | Confident | 78.5 | Confident | 47 Ų | 47 | 67.5 Ų | 67.5 | 32% | 0.318 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 138 | 175.7 | -57.1 | 0 | 0 | 0 | 0 | 114.1 | R177 G191 E193 | R177-C189 VanDerWaalsContact CZ-O 3.22Å; R177-C189 PolarHBondContact NH2-O 2.77Å; C189-G191 WeakPolarHBondContact CB-O 3.48Å; C189-E193 CarbonylContact C-O 3.47Å; C189-E193 VanDerWaalsContact CA-O 3.24Å; C189-E193 WeakPolarHBondContact CA-O 3.26Å; C189-E193 WeakPolarHBondContact CB-O 3.47Å |
| 190 | F | 86.7 | Confident | 79.1 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 0% | 0.004 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 93 | 163.6 | -69.3 | -85.9 | 0 | 0 | 0 | 108.4 | N26 M173 Y174 R177 D192 E193 A195 V198 | N26-F190 PolarHBondContact ND2-O 2.74Å; M173-F190 HydrophobicContact CE-CD1 3.91Å; M173-F190 HydrophobicContact CE-CD2 4.25Å; M173-F190 HydrophobicContact CE-CE1 3.27Å; M173-F190 HydrophobicContact CE-CE2 3.66Å; M173-F190 HydrophobicContact CE-CG 4.36Å; M173-F190 HydrophobicContact CE-CZ 3.14Å; M173-F190 HydrophobicContact CG-CE1 4.17Å; M173-F190 HydrophobicContact CG-CZ 4.46Å; M173-F190 HydrophobicContact SD-CE1 4.39Å; Y174-F190 HydrophobicContact CD1-CE2 4.35Å; Y174-F190 AromaticContact CD1-CZ 3.77Å; Y174-F190 HydrophobicContact CD1-CZ 3.77Å; Y174-F190 AromaticContact CE1-CE2 3.59Å; Y174-F190 HydrophobicContact CE1-CE2 3.59Å; Y174-F190 AromaticContact CE1-CZ 3.48Å; Y174-F190 HydrophobicContact CE1-CZ 3.48Å; Y174-F190 VanDerWaalsContact CE1-CZ 3.48Å; R177-F190 HydrophobicContact CB-CE1 4.21Å; R177-F190 VanDerWaalsContact CD-CD1 3.45Å; R177-F190 HydrophobicContact CG-CE1 4.22Å; R177-F190 VanDerWaalsContact NH1-CG 3.31Å; F190-D192 PolarHBondContact O-N 3.35Å; F190-E193 PolarHBondContact N-O 2.71Å; F190-E193 PolarHBondContact O-N 3.4Å; F190-A195 HydrophobicContact CD2-CB 4.19Å; F190-A195 HydrophobicContact CE2-CB 4.08Å; F190-V198 HydrophobicContact CB-CG2 3.95Å; F190-V198 HydrophobicContact CD2-CB 3.72Å; F190-V198 HydrophobicContact CD2-CG1 3.74Å; F190-V198 HydrophobicContact CD2-CG2 3.56Å; F190-V198 HydrophobicContact CE2-CB 4.08Å; F190-V198 HydrophobicContact CE2-CG1 3.84Å; F190-V198 HydrophobicContact CE2-CG2 4.41Å; F190-V198 HydrophobicContact CG-CG1 4.41Å; F190-V198 HydrophobicContact CG-CG2 4.09Å |
| 191 | G | 84 | Confident | 79.8 | Confident | 46 Ų | 46 | 60 Ų | 60 | 47% | 0.474 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69 | -123.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | N26 C189 | N26-G191 PolarHBondContact ND2-N 2.86Å; N26-G191 PolarHBondContact OD1-N 3.4Å; C189-G191 WeakPolarHBondContact CB-O 3.48Å |
| 192 | D | 85.6 | Confident | 81.1 | Confident | 154 Ų | 154 | 58.8 Ų | 58.8 | 82% | 0.824 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -8.5 | 175.6 | 60.4 | -28.5 | 0 | 0 | 0 | 113.7 | F190 | F190-D192 PolarHBondContact O-N 3.35Š|
| 193 | E | 88.1 | Confident | 82.9 | Confident | 56 Ų | 56 | 49.1 Ų | 49.1 | 26% | 0.262 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 129.8 | -179.5 | -162.6 | -177.7 | 156.6 | 0 | 0 | 111.5 | C189 F190 H197 V198 | C189-E193 CarbonylContact C-O 3.47Å; C189-E193 VanDerWaalsContact CA-O 3.24Å; C189-E193 WeakPolarHBondContact CA-O 3.26Å; C189-E193 WeakPolarHBondContact CB-O 3.47Å; F190-E193 PolarHBondContact N-O 2.71Å; F190-E193 PolarHBondContact O-N 3.4Å; E193-H197 HydrophobicContact CG-CB 4.22Å; E193-H197 IonicContact OE1-CE1 2.74Å; E193-H197 IonicContact OE1-CG 3Å; E193-H197 IonicContact OE1-ND1 2.72Å; E193-H197 PolarHBondContact OE1-ND1 2.81Å; E193-V198 HydrophobicContact CB-CG2 3.96Å; E193-V198 HydrophobicContact CG-CG2 3.64Å; E193-V198 VanDerWaalsContact OE1-CA 3.31Å; E193-V198 WeakPolarHBondContact OE1-CA 3.23Å; E193-V198 VanDerWaalsContact OE1-CG2 3.25Å; E193-V198 WeakPolarHBondContact OE1-CG2 3.33Å; E193-V198 PolarHBondContact OE1-N 2.99Å |
| 194 | H | 88.8 | Confident | 84.7 | Confident | 30 Ų | 30 | 47.3 Ų | 47.3 | 14% | 0.139 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 141 | 176.6 | -166 | -91.7 | 0 | 0 | 0 | 111.1 | L196 H197 V198 Q224 M235 M239 | H194-L196 WeakPolarHBondContact CE1-CD1 3.26Å; H194-L196 VanDerWaalsContact CE1-CG 3.44Å; H194-L196 WeakPolarHBondContact CE1-CG 3.49Å; H194-L196 WeakPolarHBondContact ND1-CD1 3.27Å; H194-L196 WeakPolarHBondContact ND1-CG 3.33Å; H194-L196 PolarHBondContact ND1-N 3.42Å; H194-L196 PolarHBondContact O-N 2.81Å; H194-L196 VanDerWaalsContact O-N 3.14Å; H194-H197 WeakPolarHBondContact O-CB 3.39Å; H194-H197 PolarHBondContact O-N 3.19Å; H194-V198 PolarHBondContact O-N 3.31Å; H194-V198 VanDerWaalsContact O-N 3.1Å; H194-Q224 PolarHBondContact CE1-NE2 2.94Å; H194-M235 WeakPolarHBondContact NE2-CE 3.09Å; H194-M239 HydrophobicContact CB-CE 3.95Å |
| 195 | A | 89.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.4 | -34.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y174 D188 F190 V198 Q199 | Y174-A195 PolarHBondContact OH-O 3.1Å; D188-A195 WeakPolarHBondContact O-CB 3.42Å; D188-A195 PolarHBondContact O-N 2.83Å; F190-A195 HydrophobicContact CD2-CB 4.19Å; F190-A195 HydrophobicContact CE2-CB 4.08Å; A195-V198 PolarHBondContact O-N 2.9Å; A195-Q199 WeakPolarHBondContact O-CB 3.33Å; A195-Q199 PolarHBondContact O-N 2.73Å |
| 196 | L | 90 | Very high | 88.6 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.6 | -46.1 | 174.2 | -59.8 | 169.4 | 0 | 0 | 0 | 112.5 | H194 V198 Q199 F200 F222 Q224 F225 M239 | H194-L196 WeakPolarHBondContact CE1-CD1 3.26Å; H194-L196 VanDerWaalsContact CE1-CG 3.44Å; H194-L196 WeakPolarHBondContact CE1-CG 3.49Å; H194-L196 WeakPolarHBondContact ND1-CD1 3.27Å; H194-L196 WeakPolarHBondContact ND1-CG 3.33Å; H194-L196 PolarHBondContact ND1-N 3.42Å; H194-L196 PolarHBondContact O-N 2.81Å; H194-L196 VanDerWaalsContact O-N 3.14Å; L196-V198 VanDerWaalsContact C-N 3.35Å; L196-Q199 PolarHBondContact O-N 2.93Å; L196-F200 WeakPolarHBondContact O-CD2 3.47Å; L196-F200 PolarHBondContact O-N 2.86Å; L196-F222 HydrophobicContact CB-CE1 4.48Å; L196-F222 HydrophobicContact CD2-CD1 3.39Å; L196-F222 HydrophobicContact CD2-CE1 3.78Å; L196-F222 HydrophobicContact CD2-CG 4.26Å; L196-Q224 VanDerWaalsContact CD2-CD 3.43Å; L196-Q224 HydrophobicContact CD2-CG 3.88Å; L196-F225 HydrophobicContact CD1-CE1 3.33Å; L196-F225 HydrophobicContact CD1-CE2 4.4Å; L196-F225 HydrophobicContact CD1-CZ 3.2Å; L196-F225 HydrophobicContact CD2-CE1 3.86Å; L196-F225 HydrophobicContact CD2-CE2 3.47Å; L196-F225 VanDerWaalsContact CD2-CE2 3.47Å; L196-F225 HydrophobicContact CD2-CZ 3.07Å; L196-F225 HydrophobicContact CG-CE1 4.13Å; L196-F225 HydrophobicContact CG-CZ 3.67Å; L196-M239 HydrophobicContact CB-SD 3.84Å; L196-M239 HydrophobicContact CD1-SD 4.06Å |
| 197 | H | 92.5 | Very high | 90.3 | Very high | 85 Ų | 85 | 33.5 Ų | 33.5 | 39% | 0.394 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -65.5 | -42.3 | 179.8 | -174.8 | -84.8 | 0 | 0 | 0 | 110.1 | E193 H194 Q199 F200 S201 M239 | E193-H197 HydrophobicContact CG-CB 4.22Å; E193-H197 IonicContact OE1-CE1 2.74Å; E193-H197 IonicContact OE1-CG 3Å; E193-H197 IonicContact OE1-ND1 2.72Å; E193-H197 PolarHBondContact OE1-ND1 2.81Å; H194-H197 WeakPolarHBondContact O-CB 3.39Å; H194-H197 PolarHBondContact O-N 3.19Å; H197-Q199 VanDerWaalsContact C-N 3.3Å; H197-Q199 PolarHBondContact O-N 3.33Å; H197-F200 PolarHBondContact O-N 2.82Å; H197-S201 VanDerWaalsContact O-CB 3.26Å; H197-S201 WeakPolarHBondContact O-CB 3.45Å; H197-S201 PolarHBondContact O-N 3.1Å; H197-M239 HydrophobicContact CB-SD 4.42Å |
| 198 | V | 93.9 | Very high | 91.5 | Very high | 9 Ų | 9 | 30.7 Ų | 30.7 | 6% | 0.055 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.5 | -44.7 | 173.8 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | A29 M173 F190 E193 H194 A195 L196 S201 Y202 | A29-V198 HydrophobicContact CB-CG1 4.41Å; M173-V198 HydrophobicContact CE-CG1 3.6Å; F190-V198 HydrophobicContact CB-CG2 3.95Å; F190-V198 HydrophobicContact CD2-CB 3.72Å; F190-V198 HydrophobicContact CD2-CG1 3.74Å; F190-V198 HydrophobicContact CD2-CG2 3.56Å; F190-V198 HydrophobicContact CE2-CB 4.08Å; F190-V198 HydrophobicContact CE2-CG1 3.84Å; F190-V198 HydrophobicContact CE2-CG2 4.41Å; F190-V198 HydrophobicContact CG-CG1 4.41Å; F190-V198 HydrophobicContact CG-CG2 4.09Å; E193-V198 HydrophobicContact CB-CG2 3.96Å; E193-V198 HydrophobicContact CG-CG2 3.64Å; E193-V198 VanDerWaalsContact OE1-CA 3.31Å; E193-V198 WeakPolarHBondContact OE1-CA 3.23Å; E193-V198 VanDerWaalsContact OE1-CG2 3.25Å; E193-V198 WeakPolarHBondContact OE1-CG2 3.33Å; E193-V198 PolarHBondContact OE1-N 2.99Å; H194-V198 PolarHBondContact O-N 3.31Å; H194-V198 VanDerWaalsContact O-N 3.1Å; A195-V198 PolarHBondContact O-N 2.9Å; L196-V198 VanDerWaalsContact C-N 3.35Å; V198-S201 PolarHBondContact O-N 3.12Å; V198-Y202 PolarHBondContact O-N 2.97Å |
| 199 | Q | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.6 | -41.1 | -179.6 | 175.2 | 163.1 | -17.2 | 0 | 0 | 112.2 | L170 Y174 A195 L196 H197 Y202 Q220 F221 F222 | L170-Q199 HydrophobicContact CD2-CB 4.09Å; L170-Q199 HydrophobicContact CD2-CG 3.67Å; Y174-Q199 PolarHBondContact OH-OE1 2.79Å; A195-Q199 WeakPolarHBondContact O-CB 3.33Å; A195-Q199 PolarHBondContact O-N 2.73Å; L196-Q199 PolarHBondContact O-N 2.93Å; H197-Q199 VanDerWaalsContact C-N 3.3Å; H197-Q199 PolarHBondContact O-N 3.33Å; Q199-Y202 WeakPolarHBondContact O-CB 3.37Å; Q199-Y202 PolarHBondContact O-N 2.84Å; Q199-Q220 HydrophobicContact CG-CG 3.94Å; Q199-Q220 PolarHBondContact O-NE2 2.77Å; Q199-F221 PolarHBondContact NE2-O 3.21Å; Q199-F222 HydrophobicContact CB-CE1 3.83Å; Q199-F222 HydrophobicContact CB-CZ 4.46Å; Q199-F222 HydrophobicContact CG-CD1 4.28Å; Q199-F222 HydrophobicContact CG-CE1 3.54Å; Q199-F222 HydrophobicContact CG-CZ 3.94Å |
| 200 | F | 96.3 | Very high | 92.7 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 1% | 0.013 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.4 | -50.5 | 170.2 | -79.3 | -53 | 0 | 0 | 0 | 111.3 | I56 F58 L196 H197 Y202 V203 E204 F222 M239 T240 H243 | I56-F200 HydrophobicContact CG2-CE1 4.2Å; F58-F200 HydrophobicContact CZ-CZ 4.37Å; L196-F200 WeakPolarHBondContact O-CD2 3.47Å; L196-F200 PolarHBondContact O-N 2.86Å; H197-F200 PolarHBondContact O-N 2.82Å; F200-Y202 PolarHBondContact O-N 2.79Å; F200-V203 PolarHBondContact O-N 2.88Å; F200-E204 PolarHBondContact O-N 2.84Å; F200-E204 VanDerWaalsContact O-N 3.08Å; F200-F222 HydrophobicContact CD1-CE2 4.15Å; F200-F222 AromaticContact CD1-CZ 3.65Å; F200-F222 HydrophobicContact CD1-CZ 3.65Å; F200-F222 HydrophobicContact CD2-CZ 4.04Å; F200-F222 AromaticContact CE1-CE2 3.46Å; F200-F222 HydrophobicContact CE1-CE2 3.46Å; F200-F222 VanDerWaalsContact CE1-CE2 3.46Å; F200-F222 AromaticContact CE1-CZ 3.38Å; F200-F222 HydrophobicContact CE1-CZ 3.38Å; F200-F222 HydrophobicContact CE2-CE1 4.36Å; F200-F222 HydrophobicContact CE2-CE2 4.32Å; F200-F222 AromaticContact CE2-CZ 3.79Å; F200-F222 HydrophobicContact CE2-CZ 3.79Å; F200-F222 AromaticContact CG-CZ 3.97Å; F200-F222 HydrophobicContact CG-CZ 3.97Å; F200-F222 HydrophobicContact CZ-CE1 4.39Å; F200-F222 AromaticContact CZ-CE2 3.56Å; F200-F222 HydrophobicContact CZ-CE2 3.56Å; F200-F222 AromaticContact CZ-CZ 3.46Å; F200-F222 HydrophobicContact CZ-CZ 3.46Å; F200-F222 VanDerWaalsContact CZ-CZ 3.46Å; F200-M239 HydrophobicContact CD2-CB 4.27Å; F200-M239 HydrophobicContact CE2-CB 4.08Å; F200-T240 HydrophobicContact CZ-CG2 4.36Å; F200-H243 HydrophobicContact CB-CB 4.39Å; F200-H243 HydrophobicContact CD1-CB 3.87Å; F200-H243 AromaticContact CD1-CD2 3.35Å; F200-H243 WeakPolarHBondContact CD1-CD2 3.3Å; F200-H243 AromaticContact CD1-CE1 3.92Å; F200-H243 AromaticContact CD1-CG 3.38Å; F200-H243 AromaticContact CD1-ND1 3.77Å; F200-H243 AromaticContact CD1-NE2 3.71Å; F200-H243 HydrophobicContact CE1-CB 4.25Å; F200-H243 AromaticContact CE1-CD2 3.74Å; F200-H243 HydrophobicContact CG-CB 4.05Å; F200-H243 AromaticContact CG-CG 3.83Å; F200-H243 AromaticContact CG-ND1 3.99Å; F200-H243 PolarHBondContact O-CE1 2.92Å |
| 201 | S | 95.6 | Very high | 92.9 | Very high | 13 Ų | 13 | 31.1 Ų | 31.1 | 9% | 0.091 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.9 | -32.6 | 177.4 | -177.3 | 0 | 0 | 0 | 0 | 112.9 | H197 V198 V203 E204 K205 | H197-S201 VanDerWaalsContact O-CB 3.26Å; H197-S201 WeakPolarHBondContact O-CB 3.45Å; H197-S201 PolarHBondContact O-N 3.1Å; V198-S201 PolarHBondContact O-N 3.12Å; S201-V203 VanDerWaalsContact C-N 3.31Å; S201-V203 PolarHBondContact O-N 3.26Å; S201-E204 PolarHBondContact O-N 2.89Å; S201-K205 WeakPolarHBondContact O-CB 3.26Å; S201-K205 VanDerWaalsContact O-CG 3.27Å; S201-K205 WeakPolarHBondContact O-CG 3.49Å; S201-K205 PolarHBondContact O-N 2.72Å; S201-K205 WeakPolarHBondContact OG-CE 3.41Å; S201-K205 PolarHBondContact OG-NZ 3.28Å |
| 202 | Y | 97.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.4 | -38.8 | 175.1 | -175 | -122 | 0 | 0 | 0 | 112.3 | D10 F11 A29 T30 I31 L143 A145 H168 Y169 L170 V198 Q199 F200 F206 | D10-Y202 HydrophobicContact CB-CE2 4.26Å; D10-Y202 PolarHBondContact OD2-OH 2.85Å; F11-Y202 HydrophobicContact CE1-CD2 4.27Å; F11-Y202 AromaticContact CE1-CE2 3.61Å; F11-Y202 HydrophobicContact CE1-CE2 3.61Å; F11-Y202 AromaticContact CE1-CZ 3.82Å; F11-Y202 AromaticContact CZ-CE2 3.97Å; F11-Y202 HydrophobicContact CZ-CE2 3.97Å; F11-Y202 AromaticContact CZ-CZ 3.71Å; F11-Y202 WeakPolarHBondContact CZ-OH 3.45Å; A29-Y202 HydrophobicContact CB-CD2 3.81Å; A29-Y202 HydrophobicContact CB-CE2 4.46Å; A29-Y202 HydrophobicContact CB-CG 4.43Å; T30-Y202 VanDerWaalsContact O-CE2 3.26Å; T30-Y202 WeakPolarHBondContact O-CE2 3.41Å; I31-Y202 HydrophobicContact CD1-CD2 3.88Å; I31-Y202 HydrophobicContact CD1-CE1 4.39Å; I31-Y202 HydrophobicContact CD1-CE2 3.3Å; I31-Y202 HydrophobicContact CG1-CD2 4.21Å; I31-Y202 HydrophobicContact CG1-CE2 4.02Å; L143-Y202 HydrophobicContact CD1-CD1 3.91Å; L143-Y202 HydrophobicContact CD1-CE1 3.63Å; L143-Y202 HydrophobicContact CD2-CD1 4.39Å; L143-Y202 HydrophobicContact CD2-CE1 4.27Å; L143-Y202 HydrophobicContact CG-CD1 4.46Å; L143-Y202 HydrophobicContact CG-CE1 3.98Å; A145-Y202 HydrophobicContact CB-CD1 4.27Å; H168-Y202 WeakPolarHBondContact CB-OH 3.38Å; Y169-Y202 PolarHBondContact N-OH 2.92Å; L170-Y202 HydrophobicContact CB-CD1 4.12Å; L170-Y202 HydrophobicContact CB-CE1 3.87Å; L170-Y202 HydrophobicContact CD1-CD1 3.84Å; L170-Y202 HydrophobicContact CD1-CD2 4.44Å; L170-Y202 HydrophobicContact CD1-CE1 4.06Å; L170-Y202 HydrophobicContact CD1-CG 4.03Å; L170-Y202 HydrophobicContact CD2-CD1 4.23Å; L170-Y202 HydrophobicContact CG-CD1 4.28Å; L170-Y202 HydrophobicContact CG-CE1 4.44Å; V198-Y202 PolarHBondContact O-N 2.97Å; Q199-Y202 WeakPolarHBondContact O-CB 3.37Å; Q199-Y202 PolarHBondContact O-N 2.84Å; F200-Y202 PolarHBondContact O-N 2.79Å; Y202-F206 WeakPolarHBondContact O-CB 3.32Å; Y202-F206 PolarHBondContact O-N 3.01Å; Y202-F206 VanDerWaalsContact O-N 3.09Å |
| 203 | V | 97.9 | Very high | 93 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -74.2 | -38.8 | 174.6 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | Y54 L143 F200 S201 K205 F206 F207 A218 Q220 F247 | Y54-V203 HydrophobicContact CD1-CG1 4.49Å; Y54-V203 HydrophobicContact CD2-CG1 4.19Å; Y54-V203 HydrophobicContact CE1-CG1 4.04Å; Y54-V203 HydrophobicContact CE2-CB 4.42Å; Y54-V203 HydrophobicContact CE2-CG1 3.75Å; Y54-V203 HydrophobicContact CE2-CG2 4.12Å; L143-V203 HydrophobicContact CD2-CG2 4.06Å; F200-V203 PolarHBondContact O-N 2.88Å; S201-V203 VanDerWaalsContact C-N 3.31Å; S201-V203 PolarHBondContact O-N 3.26Å; V203-K205 VanDerWaalsContact C-N 3.34Å; V203-K205 PolarHBondContact O-N 2.93Å; V203-F206 WeakPolarHBondContact O-CA 3.22Å; V203-F206 VanDerWaalsContact O-CB 3.29Å; V203-F206 WeakPolarHBondContact O-CB 3.49Å; V203-F206 PolarHBondContact O-N 3.2Å; V203-F207 HydrophobicContact CG1-CD2 3.78Å; V203-F207 HydrophobicContact CG1-CE2 3.77Å; V203-F207 WeakPolarHBondContact O-CD2 3.42Å; V203-F207 PolarHBondContact O-N 2.94Å; V203-A218 HydrophobicContact CG1-CB 4.21Å; V203-Q220 HydrophobicContact CG2-CB 4.2Å; V203-Q220 HydrophobicContact CG2-CG 4.29Å; V203-F247 HydrophobicContact CG1-CZ 4.12Å |
| 204 | E | 96.5 | Very high | 93.1 | Very high | 37 Ų | 37 | 25.2 Ų | 25.2 | 17% | 0.173 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.4 | -49.2 | 175.1 | -62.1 | 174.5 | 179.4 | 0 | 0 | 111.1 | F200 S201 F206 F207 T208 H243 F246 | F200-E204 PolarHBondContact O-N 2.84Å; F200-E204 VanDerWaalsContact O-N 3.08Å; S201-E204 PolarHBondContact O-N 2.89Å; E204-F206 PolarHBondContact O-N 3.11Å; E204-F207 PolarHBondContact O-N 3.45Å; E204-F207 VanDerWaalsContact O-N 3.1Å; E204-T208 PolarHBondContact O-N 2.89Å; E204-T208 PolarHBondContact O-OG1 3.05Å; E204-H243 VanDerWaalsContact CG-CE1 3.47Å; E204-H243 WeakPolarHBondContact CG-CE1 3.44Å; E204-H243 WeakPolarHBondContact CG-ND1 3.31Å; E204-H243 IonicContact OE1-CE1 3.56Å; E204-H243 IonicContact OE1-CG 3.31Å; E204-H243 IonicContact OE1-ND1 3.84Å; E204-H243 PolarHBondContact OE1-ND1 2.65Å; E204-F246 HydrophobicContact CB-CD1 4.15Å; E204-F246 HydrophobicContact CB-CD2 4.49Å; E204-F246 HydrophobicContact CB-CE1 3.7Å; E204-F246 HydrophobicContact CB-CE2 4.05Å; E204-F246 HydrophobicContact CB-CZ 3.63Å; E204-F246 HydrophobicContact CG-CD1 3.66Å; E204-F246 HydrophobicContact CG-CD2 4.27Å; E204-F246 HydrophobicContact CG-CE1 3.73Å; E204-F246 HydrophobicContact CG-CE2 4.32Å; E204-F246 HydrophobicContact CG-CG 3.95Å; E204-F246 HydrophobicContact CG-CZ 4.06Å |
| 205 | K | 95.5 | Very high | 93.4 | Very high | 69 Ų | 69 | 24.1 Ų | 24.1 | 30% | 0.3 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -59.1 | -35 | 174.2 | -71.2 | 171.1 | -175.6 | 151.8 | 0 | 111.8 | A29 I31 S201 V203 T208 S209 | A29-K205 PolarHBondContact O-NZ 3.48Å; I31-K205 HydrophobicContact CB-CB 4.48Å; I31-K205 HydrophobicContact CG1-CB 4.04Å; S201-K205 WeakPolarHBondContact O-CB 3.26Å; S201-K205 VanDerWaalsContact O-CG 3.27Å; S201-K205 WeakPolarHBondContact O-CG 3.49Å; S201-K205 PolarHBondContact O-N 2.72Å; S201-K205 WeakPolarHBondContact OG-CE 3.41Å; S201-K205 PolarHBondContact OG-NZ 3.28Å; V203-K205 VanDerWaalsContact C-N 3.34Å; V203-K205 PolarHBondContact O-N 2.93Å; K205-T208 WeakPolarHBondContact CA-OG1 3.16Å; K205-T208 PolarHBondContact O-N 3.2Å; K205-T208 PolarHBondContact O-OG1 3.26Å; K205-T208 VanDerWaalsContact O-OG1 3.13Å; K205-S209 WeakPolarHBondContact O-CB 3.38Å; K205-S209 PolarHBondContact O-N 2.86Å; K205-S209 PolarHBondContact O-OG 2.72Å |
| 206 | F | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.6 | -40.2 | 176.7 | 172.1 | -114.7 | 0 | 0 | 0 | 112 | I31 V141 L143 H168 Y202 V203 E204 Y210 K216 A218 | I31-F206 HydrophobicContact CD1-CB 3.92Å; I31-F206 HydrophobicContact CD1-CD2 4.27Å; I31-F206 HydrophobicContact CG1-CB 3.9Å; I31-F206 HydrophobicContact CG2-CD2 4.44Å; V141-F206 HydrophobicContact CB-CE2 4.02Å; V141-F206 HydrophobicContact CB-CZ 4.03Å; V141-F206 HydrophobicContact CG1-CE2 3.61Å; V141-F206 HydrophobicContact CG1-CZ 4.05Å; L143-F206 HydrophobicContact CB-CD1 4.06Å; L143-F206 HydrophobicContact CB-CD2 4.35Å; L143-F206 HydrophobicContact CB-CE1 3.91Å; L143-F206 HydrophobicContact CB-CE2 4.26Å; L143-F206 HydrophobicContact CB-CG 4.26Å; L143-F206 HydrophobicContact CB-CZ 4.04Å; L143-F206 HydrophobicContact CD1-CB 3.51Å; L143-F206 HydrophobicContact CD1-CD1 3.85Å; L143-F206 HydrophobicContact CD1-CD2 3.92Å; L143-F206 HydrophobicContact CD1-CG 3.48Å; L143-F206 VanDerWaalsContact CD1-CG 3.48Å; H168-F206 AromaticContact CD2-CD2 3.64Å; H168-F206 AromaticContact CD2-CE2 3.54Å; Y202-F206 WeakPolarHBondContact O-CB 3.32Å; Y202-F206 PolarHBondContact O-N 3.01Å; Y202-F206 VanDerWaalsContact O-N 3.09Å; V203-F206 WeakPolarHBondContact O-CA 3.22Å; V203-F206 VanDerWaalsContact O-CB 3.29Å; V203-F206 WeakPolarHBondContact O-CB 3.49Å; V203-F206 PolarHBondContact O-N 3.2Å; E204-F206 PolarHBondContact O-N 3.11Å; F206-Y210 HydrophobicContact CD2-CD2 4.04Å; F206-Y210 AromaticContact CD2-CE2 3.83Å; F206-Y210 HydrophobicContact CD2-CE2 3.83Å; F206-Y210 HydrophobicContact CE2-CD2 4Å; F206-Y210 AromaticContact CE2-CE2 3.73Å; F206-Y210 HydrophobicContact CE2-CE2 3.73Å; F206-Y210 WeakPolarHBondContact O-CD2 3.28Å; F206-K216 HydrophobicContact CE1-CB 3.71Å; F206-K216 HydrophobicContact CE1-CD 4.33Å; F206-K216 HydrophobicContact CE1-CG 4.06Å; F206-K216 HydrophobicContact CZ-CB 3.97Å; F206-K216 HydrophobicContact CZ-CG 4.05Å; F206-A218 HydrophobicContact CD1-CB 4.25Å; F206-A218 HydrophobicContact CE1-CB 4.12Å |
| 207 | F | 95.1 | Very high | 94 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -70.2 | -33.6 | 176.2 | -85.3 | -100.6 | 0 | 0 | 0 | 112.7 | N52 V203 E204 K216 A218 F247 F270 T274 | N52-F207 HydrophobicContact CB-CE1 3.96Å; N52-F207 HydrophobicContact CB-CZ 4.35Å; V203-F207 HydrophobicContact CG1-CD2 3.78Å; V203-F207 HydrophobicContact CG1-CE2 3.77Å; V203-F207 WeakPolarHBondContact O-CD2 3.42Å; V203-F207 PolarHBondContact O-N 2.94Å; E204-F207 PolarHBondContact O-N 3.45Å; E204-F207 VanDerWaalsContact O-N 3.1Å; F207-K216 HydrophobicContact CB-CD 4.44Å; F207-K216 HydrophobicContact CD1-CD 3.64Å; F207-K216 HydrophobicContact CD2-CD 4.39Å; F207-K216 HydrophobicContact CE1-CB 4.23Å; F207-K216 HydrophobicContact CE1-CD 3.88Å; F207-K216 HydrophobicContact CG-CD 3.92Å; F207-K216 HydrophobicContact CZ-CB 4.15Å; F207-K216 HydrophobicContact CZ-CD 4.36Å; F207-K216 WeakPolarHBondContact O-CE 3.44Å; F207-A218 HydrophobicContact CE2-CB 4.24Å; F207-F247 AromaticContact CD1-CE1 3.71Å; F207-F247 HydrophobicContact CD1-CE1 3.71Å; F207-F247 HydrophobicContact CD1-CZ 4.26Å; F207-F247 AromaticContact CD2-CE1 3.86Å; F207-F247 HydrophobicContact CD2-CE1 3.86Å; F207-F247 AromaticContact CD2-CZ 3.56Å; F207-F247 HydrophobicContact CD2-CZ 3.56Å; F207-F247 AromaticContact CE1-CE1 3.64Å; F207-F247 HydrophobicContact CE1-CE1 3.64Å; F207-F247 HydrophobicContact CE1-CZ 4.32Å; F207-F247 AromaticContact CE2-CE1 3.77Å; F207-F247 HydrophobicContact CE2-CE1 3.77Å; F207-F247 AromaticContact CE2-CZ 3.63Å; F207-F247 HydrophobicContact CE2-CZ 3.63Å; F207-F247 AromaticContact CG-CE1 3.83Å; F207-F247 HydrophobicContact CG-CE1 3.83Å; F207-F247 AromaticContact CG-CZ 3.89Å; F207-F247 HydrophobicContact CG-CZ 3.89Å; F207-F247 AromaticContact CZ-CE1 3.67Å; F207-F247 HydrophobicContact CZ-CE1 3.67Å; F207-F247 HydrophobicContact CZ-CZ 4.03Å; F207-F270 HydrophobicContact CB-CD1 4.2Å; F207-F270 HydrophobicContact CB-CD2 4.21Å; F207-F270 HydrophobicContact CB-CE1 4.09Å; F207-F270 HydrophobicContact CB-CE2 4.1Å; F207-F270 HydrophobicContact CB-CG 4.28Å; F207-F270 HydrophobicContact CB-CZ 4.06Å; F207-F270 HydrophobicContact CD1-CB 4.28Å; F207-F270 AromaticContact CD1-CD1 3.99Å; F207-F270 HydrophobicContact CD1-CD1 3.99Å; F207-F270 HydrophobicContact CD1-CG 4.14Å; F207-F270 WeakPolarHBondContact O-CE1 3.35Å; F207-T274 HydrophobicContact CE1-CG2 4.23Å; F207-T274 HydrophobicContact CZ-CG2 4.26Å |
| 208 | T | 93.5 | Very high | 94.3 | Very high | 32 Ų | 32 | 20.1 Ų | 20.1 | 20% | 0.196 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -83.2 | -29.4 | 178.8 | 57.6 | 0 | 0 | 0 | 0 | 114.3 | E204 K205 Y210 F246 I254 M255 F270 | E204-T208 PolarHBondContact O-N 2.89Å; E204-T208 PolarHBondContact O-OG1 3.05Å; K205-T208 WeakPolarHBondContact CA-OG1 3.16Å; K205-T208 PolarHBondContact O-N 3.2Å; K205-T208 PolarHBondContact O-OG1 3.26Å; K205-T208 VanDerWaalsContact O-OG1 3.13Å; T208-Y210 PolarHBondContact O-N 3.48Å; T208-F246 HydrophobicContact CG2-CE2 4.5Å; T208-F246 HydrophobicContact CG2-CZ 3.85Å; T208-I254 HydrophobicContact CG2-CG2 4.42Å; T208-M255 HydrophobicContact CG2-SD 4.2Å; T208-M255 VanDerWaalsContact O-CE 3.23Å; T208-M255 WeakPolarHBondContact O-CE 3.45Å; T208-F270 HydrophobicContact CG2-CE2 3.92Å; T208-F270 HydrophobicContact CG2-CZ 3.88Å |
| 209 | S | 93.7 | Very high | 94.5 | Very high | 42 Ų | 42 | 19.7 Ų | 19.7 | 29% | 0.294 | 12% | 0.115 | S | C | . | . | S | Bend | trans | -74.6 | -7.4 | -176.7 | -73 | 0 | 0 | 0 | 0 | 114.3 | I31 P33 K205 | I31-S209 PolarHBondContact O-OG 3.01Å; P33-S209 VanDerWaalsContact CG-O 3.3Å; P33-S209 WeakPolarHBondContact CG-O 3.45Å; K205-S209 WeakPolarHBondContact O-CB 3.38Å; K205-S209 PolarHBondContact O-N 2.86Å; K205-S209 PolarHBondContact O-OG 2.72Å |
| 210 | Y | 93.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.008 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -122.8 | 145.4 | -179.8 | -74.8 | -83.2 | 0 | 0 | 0 | 111 | I31 P33 A37 L38 V141 H168 F206 T208 R214 | I31-Y210 HydrophobicContact CG2-CE2 3.93Å; P33-Y210 WeakPolarHBondContact CA-OH 3.45Å; P33-Y210 HydrophobicContact CB-CD1 4.38Å; P33-Y210 HydrophobicContact CB-CE1 3.69Å; P33-Y210 HydrophobicContact CB-CE2 4.38Å; P33-Y210 HydrophobicContact CG-CE1 4.24Å; P33-Y210 HydrophobicContact CG-CE2 4.24Å; A37-Y210 HydrophobicContact CB-CE1 3.76Å; A37-Y210 VanDerWaalsContact CB-OH 3.26Å; A37-Y210 WeakPolarHBondContact CB-OH 3.47Å; L38-Y210 HydrophobicContact CD2-CD1 3.87Å; L38-Y210 HydrophobicContact CD2-CE1 4.05Å; L38-Y210 HydrophobicContact CG-CE1 4.32Å; V141-Y210 HydrophobicContact CB-CE1 4.5Å; V141-Y210 HydrophobicContact CG1-CE1 4.13Å; V141-Y210 HydrophobicContact CG1-CE2 3.89Å; V141-Y210 HydrophobicContact CG2-CD1 3.99Å; V141-Y210 HydrophobicContact CG2-CE1 3.76Å; V141-Y210 HydrophobicContact CG2-CG 4.49Å; H168-Y210 AromaticContact NE2-CE2 3.4Å; H168-Y210 WeakPolarHBondContact NE2-CE2 3.25Å; H168-Y210 AromaticContact NE2-CZ 3.47Å; H168-Y210 PolarHBondContact NE2-OH 2.68Å; F206-Y210 HydrophobicContact CD2-CD2 4.04Å; F206-Y210 AromaticContact CD2-CE2 3.83Å; F206-Y210 HydrophobicContact CD2-CE2 3.83Å; F206-Y210 HydrophobicContact CE2-CD2 4Å; F206-Y210 AromaticContact CE2-CE2 3.73Å; F206-Y210 HydrophobicContact CE2-CE2 3.73Å; F206-Y210 WeakPolarHBondContact O-CD2 3.28Å; T208-Y210 PolarHBondContact O-N 3.48Å; Y210-R214 HydrophobicContact CD1-CG 3.99Å; Y210-R214 HydrophobicContact CG-CG 4.37Å |
| 211 | P | 90.3 | Very high | 94.6 | Very high | 76 Ų | 76 | 19.6 Ų | 19.6 | 49% | 0.494 | 12% | 0.115 | S | C | . | . | trans | -52.8 | 149.1 | 176.2 | -25.5 | 33.7 | 0 | 0 | 0 | 112.7 | G213 R214 K216 | P211-G213 PolarHBondContact O-N 2.96Å; P211-R214 WeakPolarHBondContact O-CB 3.33Å; P211-R214 PolarHBondContact O-N 2.77Å; P211-K216 PolarHBondContact O-NZ 2.93Å; P211-K216 VanDerWaalsContact O-NZ 3.1Å | ||
| 212 | R | 85.3 | Confident | 94.5 | Very high | 57 Ų | 57 | 19 Ų | 19 | 22% | 0.215 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -39.7 | 179.9 | -66.4 | -70.2 | -88.6 | 110.3 | -0.8 | 112 | R214 D252 N268 D273 | R212-R214 PolarHBondContact O-N 2.93Å; R212-D252 IonicContact CZ-OD1 3.23Å; R212-D252 IonicContact NE-OD1 2.91Å; R212-D252 PolarHBondContact NE-OD1 2.95Å; R212-D252 IonicContact NH2-OD1 3.09Å; R212-N268 PolarHBondContact NH2-O 3.1Å; R212-D273 IonicContact CZ-OD2 3.91Å; R212-D273 IonicContact NH1-OD2 3.23Å; R212-D273 PolarHBondContact NH1-OD2 2.68Å; R212-D273 IonicContact NH2-OD2 3.76Å; R212-D273 PolarHBondContact NH2-OD2 3.3Å |
| 213 | G | 86.2 | Confident | 94.1 | Very high | 48 Ų | 48 | 19.1 Ų | 19.1 | 50% | 0.495 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -11.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | K42 P211 | K42-G213 WeakPolarHBondContact CE-O 3.48Å; K42-G213 PolarHBondContact NZ-O 3.28Å; P211-G213 PolarHBondContact O-N 2.96Å |
| 214 | R | 91.3 | Very high | 93 | Very high | 27 Ų | 27 | 20.3 Ų | 20.3 | 10% | 0.102 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -81.5 | 121 | 175.4 | 177.3 | 57.4 | 64.1 | -174.3 | 2.9 | 109.2 | A37 L38 R40 G139 V141 Y210 P211 R212 K216 | A37-R214 PolarHBondContact O-NE 3.4Å; L38-R214 PolarHBondContact O-NH2 3.26Å; R40-R214 VanDerWaalsContact O-CZ 3.25Å; R40-R214 PolarHBondContact O-NH1 3.26Å; R40-R214 PolarHBondContact O-NH2 3Å; G139-R214 PolarHBondContact O-NH1 2.95Å; V141-R214 HydrophobicContact CG2-CG 3.5Å; Y210-R214 HydrophobicContact CD1-CG 3.99Å; Y210-R214 HydrophobicContact CG-CG 4.37Å; P211-R214 WeakPolarHBondContact O-CB 3.33Å; P211-R214 PolarHBondContact O-N 2.77Å; R212-R214 PolarHBondContact O-N 2.93Å; R214-K216 PolarHBondContact O-NZ 3Å |
| 215 | L | 93.7 | Very high | 91.7 | Very high | 7 Ų | 7 | 18.8 Ų | 18.8 | 4% | 0.037 | 11% | 0.11 | C | C | . | . | trans | -69.4 | 141.3 | 178.7 | -70.2 | 170.4 | 0 | 0 | 0 | 111.7 | M44 P50 N52 Y140 V141 | M44-L215 HydrophobicContact SD-CD1 3.24Å; M44-L215 WeakPolarHBondContact SD-CD1 3.41Å; P50-L215 HydrophobicContact CB-CD1 4.04Å; P50-L215 HydrophobicContact CB-CD2 3.93Å; P50-L215 HydrophobicContact CB-CG 4.49Å; P50-L215 WeakPolarHBondContact O-CD2 3.14Å; N52-L215 WeakPolarHBondContact OD1-CA 3.36Å; Y140-L215 CarbonylContact C-O 3.58Å; Y140-L215 WeakPolarHBondContact CA-O 3.22Å; Y140-L215 HydrophobicContact CD1-CB 3.83Å; Y140-L215 HydrophobicContact CD2-CB 3.96Å; Y140-L215 HydrophobicContact CD2-CD1 4.16Å; Y140-L215 HydrophobicContact CE1-CB 3.92Å; Y140-L215 HydrophobicContact CE1-CD2 4.5Å; Y140-L215 HydrophobicContact CE2-CB 4.05Å; Y140-L215 HydrophobicContact CE2-CD1 3.68Å; Y140-L215 HydrophobicContact CE2-CG 4.39Å; Y140-L215 HydrophobicContact CG-CB 3.83Å; V141-L215 PolarHBondContact N-O 3.4Å | ||
| 216 | K | 96.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 131.9 | -171.5 | -63.7 | 172.3 | -170.5 | 77 | 0 | 110.2 | N52 I53 V141 F206 F207 P211 R214 | N52-K216 CarbonylContact C-O 3.51Å; N52-K216 VanDerWaalsContact CA-O 3.26Å; N52-K216 WeakPolarHBondContact CA-O 3.33Å; N52-K216 HydrophobicContact CB-CB 4.22Å; N52-K216 WeakPolarHBondContact CB-O 3.35Å; N52-K216 WeakPolarHBondContact OD1-CB 3.36Å; N52-K216 PolarHBondContact OD1-N 2.94Å; I53-K216 PolarHBondContact N-O 3.21Å; V141-K216 WeakPolarHBondContact O-CA 3.33Å; F206-K216 HydrophobicContact CE1-CB 3.71Å; F206-K216 HydrophobicContact CE1-CD 4.33Å; F206-K216 HydrophobicContact CE1-CG 4.06Å; F206-K216 HydrophobicContact CZ-CB 3.97Å; F206-K216 HydrophobicContact CZ-CG 4.05Å; F207-K216 HydrophobicContact CB-CD 4.44Å; F207-K216 HydrophobicContact CD1-CD 3.64Å; F207-K216 HydrophobicContact CD2-CD 4.39Å; F207-K216 HydrophobicContact CE1-CB 4.23Å; F207-K216 HydrophobicContact CE1-CD 3.88Å; F207-K216 HydrophobicContact CG-CD 3.92Å; F207-K216 HydrophobicContact CZ-CB 4.15Å; F207-K216 HydrophobicContact CZ-CD 4.36Å; F207-K216 WeakPolarHBondContact O-CE 3.44Å; P211-K216 PolarHBondContact O-NZ 2.93Å; P211-K216 VanDerWaalsContact O-NZ 3.1Å; R214-K216 PolarHBondContact O-NZ 3Å |
| 217 | F | 97.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 120.2 | 167.3 | 172.4 | -93.8 | 0 | 0 | 0 | 107.9 | I53 I55 L104 I131 W132 L135 Y140 V141 T142 L143 F219 | I53-F217 HydrophobicContact CB-CD2 3.84Å; I53-F217 HydrophobicContact CG2-CD2 3.68Å; I53-F217 HydrophobicContact CG2-CE2 3.85Å; I53-F217 CarbonylContact O-C 3.2Å; I53-F217 VanDerWaalsContact O-CA 3.28Å; I53-F217 WeakPolarHBondContact O-CA 3.29Å; I55-F217 HydrophobicContact CD1-CE2 4.17Å; I55-F217 HydrophobicContact CD1-CZ 4.44Å; L104-F217 HydrophobicContact CD2-CZ 4.3Å; I131-F217 HydrophobicContact CG2-CE2 4.26Å; I131-F217 HydrophobicContact CG2-CZ 4.02Å; W132-F217 HydrophobicContact CB-CD1 3.85Å; W132-F217 HydrophobicContact CB-CE1 3.74Å; W132-F217 HydrophobicContact CE3-CE1 4.19Å; L135-F217 HydrophobicContact CD1-CB 3.91Å; L135-F217 HydrophobicContact CD1-CD1 4.33Å; L135-F217 HydrophobicContact CD1-CD2 3.25Å; L135-F217 HydrophobicContact CD1-CE2 3.8Å; L135-F217 HydrophobicContact CD1-CG 3.56Å; Y140-F217 HydrophobicContact CD1-CB 3.93Å; V141-F217 PolarHBondContact O-N 3.39Å; T142-F217 CarbonylContact C-O 3.52Å; T142-F217 WeakPolarHBondContact CA-O 3.15Å; T142-F217 HydrophobicContact CG2-CB 4.3Å; T142-F217 HydrophobicContact CG2-CD1 4.4Å; L143-F217 PolarHBondContact N-O 2.78Å; F217-F219 HydrophobicContact CE1-CB 3.92Å; F217-F219 HydrophobicContact CZ-CB 4.01Å |
| 218 | A | 98.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 126.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | I53 Y54 I55 L143 V203 F206 F207 | I53-A218 PolarHBondContact O-N 3.26Å; Y54-A218 WeakPolarHBondContact CA-O 3.14Å; Y54-A218 HydrophobicContact CD2-CB 3.59Å; Y54-A218 HydrophobicContact CE2-CB 4.17Å; Y54-A218 HydrophobicContact CG-CB 4.37Å; I55-A218 PolarHBondContact N-O 3.29Å; L143-A218 HydrophobicContact CB-CB 4.28Å; L143-A218 HydrophobicContact CD2-CB 4.27Å; L143-A218 WeakPolarHBondContact O-CA 3.44Å; V203-A218 HydrophobicContact CG1-CB 4.21Å; F206-A218 HydrophobicContact CD1-CB 4.25Å; F206-A218 HydrophobicContact CE1-CB 4.12Å; F207-A218 HydrophobicContact CE2-CB 4.24Å |
| 219 | F | 98.4 | Very high | 84.4 | Confident | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 111.9 | 167.9 | -176.9 | -94.7 | 0 | 0 | 0 | 108.2 | I55 V100 L104 L143 Y144 A145 F217 F221 | I55-F219 HydrophobicContact CB-CD2 3.82Å; I55-F219 HydrophobicContact CB-CE2 4.39Å; I55-F219 HydrophobicContact CD1-CD2 4.09Å; I55-F219 HydrophobicContact CG2-CD2 3.82Å; I55-F219 HydrophobicContact CG2-CE2 3.86Å; V100-F219 HydrophobicContact CG1-CE1 4.11Å; V100-F219 HydrophobicContact CG1-CE2 4.48Å; V100-F219 HydrophobicContact CG1-CZ 3.64Å; V100-F219 HydrophobicContact CG2-CZ 4.31Å; L104-F219 HydrophobicContact CD1-CD1 4.16Å; L104-F219 HydrophobicContact CD1-CD2 3.96Å; L104-F219 HydrophobicContact CD1-CE1 3.97Å; L104-F219 HydrophobicContact CD1-CE2 3.75Å; L104-F219 HydrophobicContact CD1-CG 4.17Å; L104-F219 HydrophobicContact CD1-CZ 3.76Å; L104-F219 HydrophobicContact CD2-CD2 3.82Å; L104-F219 HydrophobicContact CD2-CE2 4.01Å; L104-F219 HydrophobicContact CD2-CG 4.49Å; L104-F219 HydrophobicContact CG-CD2 4.43Å; L104-F219 HydrophobicContact CG-CE2 4.21Å; L143-F219 PolarHBondContact O-N 3.1Å; Y144-F219 CarbonylContact C-O 3.42Å; Y144-F219 WeakPolarHBondContact CA-O 3.14Å; Y144-F219 AromaticContact CD2-CD1 3.63Å; Y144-F219 HydrophobicContact CD2-CD1 3.63Å; Y144-F219 HydrophobicContact CD2-CE1 4.35Å; Y144-F219 AromaticContact CE2-CD1 3.7Å; Y144-F219 HydrophobicContact CE2-CD1 3.7Å; Y144-F219 AromaticContact CE2-CE1 3.96Å; Y144-F219 HydrophobicContact CE2-CE1 3.96Å; A145-F219 PolarHBondContact N-O 2.96Å; F217-F219 HydrophobicContact CE1-CB 3.92Å; F217-F219 HydrophobicContact CZ-CB 4.01Å; F219-F221 HydrophobicContact CE1-CB 4.09Å; F219-F221 HydrophobicContact CE1-CD2 4.02Å; F219-F221 HydrophobicContact CE1-CG 4.45Å; F219-F221 HydrophobicContact CE2-CD2 4.38Å; F219-F221 HydrophobicContact CZ-CB 4.49Å; F219-F221 AromaticContact CZ-CD2 3.57Å; F219-F221 HydrophobicContact CZ-CD2 3.57Å; F219-F221 HydrophobicContact CZ-CE2 4.29Å; F219-F221 HydrophobicContact CZ-CG 4.41Å |
| 220 | Q | 97.9 | Very high | 83 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 126.5 | -179.4 | -175.5 | -166.7 | 53.9 | 0 | 0 | 109.4 | Y54 I55 I56 G57 A145 Q199 V203 F222 | Y54-Q220 HydrophobicContact CE2-CB 3.91Å; Y54-Q220 PolarHBondContact OH-OE1 2.92Å; I55-Q220 PolarHBondContact O-N 3.38Å; I56-Q220 CarbonylContact C-O 3.6Å; I56-Q220 WeakPolarHBondContact CA-O 3.34Å; G57-Q220 PolarHBondContact N-O 3.16Å; A145-Q220 HydrophobicContact CB-CB 4.28Å; A145-Q220 HydrophobicContact CB-CG 3.99Å; A145-Q220 CarbonylContact O-C 3.43Å; A145-Q220 VanDerWaalsContact O-CA 3.23Å; A145-Q220 WeakPolarHBondContact O-CA 3.44Å; Q199-Q220 HydrophobicContact CG-CG 3.94Å; Q199-Q220 PolarHBondContact O-NE2 2.77Å; V203-Q220 HydrophobicContact CG2-CB 4.2Å; V203-Q220 HydrophobicContact CG2-CG 4.29Å; Q220-F222 VanDerWaalsContact CD-CZ 3.44Å; Q220-F222 HydrophobicContact CG-CE2 3.97Å; Q220-F222 HydrophobicContact CG-CZ 4.05Å; Q220-F222 VanDerWaalsContact OE1-CE2 3.27Å |
| 221 | F | 95.7 | Very high | 82.1 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 137.6 | -178.3 | -143.1 | -83.7 | 0 | 0 | 0 | 111 | G57 D59 I96 V100 A145 E146 Q199 F219 V223 D281 | G57-F221 VanDerWaalsContact CA-CD2 3.49Å; G57-F221 CarbonylContact O-C 3.52Å; G57-F221 WeakPolarHBondContact O-CA 3.26Å; D59-F221 HydrophobicContact CB-CE1 3.88Å; I96-F221 HydrophobicContact CD1-CD1 3.52Å; I96-F221 HydrophobicContact CD1-CE1 3.26Å; I96-F221 HydrophobicContact CD1-CG 4.4Å; I96-F221 HydrophobicContact CD1-CZ 3.98Å; I96-F221 HydrophobicContact CG1-CD1 4.5Å; I96-F221 HydrophobicContact CG1-CE1 3.94Å; I96-F221 HydrophobicContact CG1-CZ 4.18Å; V100-F221 HydrophobicContact CG2-CD2 4.42Å; V100-F221 HydrophobicContact CG2-CE2 4Å; V100-F221 HydrophobicContact CG2-CZ 4.38Å; A145-F221 PolarHBondContact O-N 2.94Å; E146-F221 WeakPolarHBondContact CA-O 3.36Å; E146-F221 HydrophobicContact CG-CB 4.25Å; Q199-F221 PolarHBondContact NE2-O 3.21Å; F219-F221 HydrophobicContact CE1-CB 4.09Å; F219-F221 HydrophobicContact CE1-CD2 4.02Å; F219-F221 HydrophobicContact CE1-CG 4.45Å; F219-F221 HydrophobicContact CE2-CD2 4.38Å; F219-F221 HydrophobicContact CZ-CB 4.49Å; F219-F221 AromaticContact CZ-CD2 3.57Å; F219-F221 HydrophobicContact CZ-CD2 3.57Å; F219-F221 HydrophobicContact CZ-CE2 4.29Å; F219-F221 HydrophobicContact CZ-CG 4.41Å; F221-V223 HydrophobicContact CD1-CG2 4.2Å; F221-D281 HydrophobicContact CZ-CB 3.85Å |
| 222 | F | 93.2 | Very high | 81.5 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 111.6 | 179.8 | -60.3 | -87.3 | 0 | 0 | 0 | 111 | I56 G57 F58 D59 L196 Q199 F200 Q220 F225 | I56-F222 HydrophobicContact CG2-CE2 4.03Å; G57-F222 WeakPolarHBondContact O-CD2 3.23Å; G57-F222 PolarHBondContact O-N 3.11Å; F58-F222 HydrophobicContact CD1-CB 4.17Å; F58-F222 HydrophobicContact CD1-CD2 4.09Å; F58-F222 HydrophobicContact CD1-CG 4.46Å; F58-F222 AromaticContact CE1-CD2 3.82Å; F58-F222 HydrophobicContact CE1-CD2 3.82Å; F58-F222 HydrophobicContact CE1-CE2 4.35Å; F58-F222 HydrophobicContact CE1-CG 4.39Å; F58-F222 HydrophobicContact CZ-CD2 4.35Å; D59-F222 WeakPolarHBondContact CB-O 3.11Å; D59-F222 PolarHBondContact N-O 2.69Å; L196-F222 HydrophobicContact CB-CE1 4.48Å; L196-F222 HydrophobicContact CD2-CD1 3.39Å; L196-F222 HydrophobicContact CD2-CE1 3.78Å; L196-F222 HydrophobicContact CD2-CG 4.26Å; Q199-F222 HydrophobicContact CB-CE1 3.83Å; Q199-F222 HydrophobicContact CB-CZ 4.46Å; Q199-F222 HydrophobicContact CG-CD1 4.28Å; Q199-F222 HydrophobicContact CG-CE1 3.54Å; Q199-F222 HydrophobicContact CG-CZ 3.94Å; F200-F222 HydrophobicContact CD1-CE2 4.15Å; F200-F222 AromaticContact CD1-CZ 3.65Å; F200-F222 HydrophobicContact CD1-CZ 3.65Å; F200-F222 HydrophobicContact CD2-CZ 4.04Å; F200-F222 AromaticContact CE1-CE2 3.46Å; F200-F222 HydrophobicContact CE1-CE2 3.46Å; F200-F222 VanDerWaalsContact CE1-CE2 3.46Å; F200-F222 AromaticContact CE1-CZ 3.38Å; F200-F222 HydrophobicContact CE1-CZ 3.38Å; F200-F222 HydrophobicContact CE2-CE1 4.36Å; F200-F222 HydrophobicContact CE2-CE2 4.32Å; F200-F222 AromaticContact CE2-CZ 3.79Å; F200-F222 HydrophobicContact CE2-CZ 3.79Å; F200-F222 AromaticContact CG-CZ 3.97Å; F200-F222 HydrophobicContact CG-CZ 3.97Å; F200-F222 HydrophobicContact CZ-CE1 4.39Å; F200-F222 AromaticContact CZ-CE2 3.56Å; F200-F222 HydrophobicContact CZ-CE2 3.56Å; F200-F222 AromaticContact CZ-CZ 3.46Å; F200-F222 HydrophobicContact CZ-CZ 3.46Å; F200-F222 VanDerWaalsContact CZ-CZ 3.46Å; Q220-F222 VanDerWaalsContact CD-CZ 3.44Å; Q220-F222 HydrophobicContact CG-CE2 3.97Å; Q220-F222 HydrophobicContact CG-CZ 4.05Å; Q220-F222 VanDerWaalsContact OE1-CE2 3.27Å; F222-F225 HydrophobicContact CB-CD2 3.74Å; F222-F225 HydrophobicContact CB-CE2 3.42Å; F222-F225 VanDerWaalsContact CB-CE2 3.42Å; F222-F225 HydrophobicContact CD1-CE2 4.29Å; F222-F225 AromaticContact CG-CE2 3.96Å; F222-F225 HydrophobicContact CG-CE2 3.96Å |
| 223 | V | 88.2 | Confident | 81.6 | Confident | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.018 | 16% | 0.161 | C | C | . | . | trans | -99.1 | -26.2 | -176.6 | -177.6 | 0 | 0 | 0 | 0 | 111.5 | D59 I96 E146 D147 K148 F221 F225 | D59-V223 HydrophobicContact CB-CB 4.49Å; I96-V223 HydrophobicContact CD1-CG2 4.12Å; E146-V223 HydrophobicContact CG-CG2 3.91Å; D147-V223 WeakPolarHBondContact OD1-CB 3.12Å; D147-V223 PolarHBondContact OD1-N 2.77Å; D147-V223 PolarHBondContact OD2-N 2.87Å; K148-V223 HydrophobicContact CB-CB 4.22Å; K148-V223 HydrophobicContact CB-CG1 4.19Å; K148-V223 HydrophobicContact CG-CB 4.32Å; K148-V223 HydrophobicContact CG-CG1 4.41Å; F221-V223 HydrophobicContact CD1-CG2 4.2Å; V223-F225 PolarHBondContact O-N 2.78Å | ||
| 224 | Q | 76.6 | Confident | 81.7 | Confident | 26 Ų | 26 | 34.8 Ų | 34.8 | 12% | 0.121 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -16.4 | -171.4 | 64.4 | 177.2 | 58.4 | 0 | 0 | 116.1 | D147 K148 H194 L196 K226 | D147-Q224 WeakPolarHBondContact OD2-CB 3.09Å; D147-Q224 WeakPolarHBondContact OD2-CG 3.3Å; D147-Q224 PolarHBondContact OD2-N 3.15Å; D147-Q224 PolarHBondContact OD2-OE1 2.91Å; K148-Q224 HydrophobicContact CD-CB 4.43Å; K148-Q224 VanDerWaalsContact CE-CB 3.41Å; K148-Q224 HydrophobicContact CG-CB 4.13Å; H194-Q224 PolarHBondContact CE1-NE2 2.94Å; L196-Q224 VanDerWaalsContact CD2-CD 3.43Å; L196-Q224 HydrophobicContact CD2-CG 3.88Å; Q224-K226 PolarHBondContact O-N 3.09Å |
| 225 | F | 67.4 | Low | 81.5 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -7.5 | -163.2 | -71.2 | -66.6 | 0 | 0 | 0 | 117.4 | F58 L196 F222 V223 Y232 I233 A236 | F58-F225 HydrophobicContact CD1-CD2 4.16Å; F58-F225 AromaticContact CD1-CE2 3.81Å; F58-F225 HydrophobicContact CD1-CE2 3.81Å; F58-F225 HydrophobicContact CE1-CE2 4.03Å; L196-F225 HydrophobicContact CD1-CE1 3.33Å; L196-F225 HydrophobicContact CD1-CE2 4.4Å; L196-F225 HydrophobicContact CD1-CZ 3.2Å; L196-F225 HydrophobicContact CD2-CE1 3.86Å; L196-F225 HydrophobicContact CD2-CE2 3.47Å; L196-F225 VanDerWaalsContact CD2-CE2 3.47Å; L196-F225 HydrophobicContact CD2-CZ 3.07Å; L196-F225 HydrophobicContact CG-CE1 4.13Å; L196-F225 HydrophobicContact CG-CZ 3.67Å; F222-F225 HydrophobicContact CB-CD2 3.74Å; F222-F225 HydrophobicContact CB-CE2 3.42Å; F222-F225 VanDerWaalsContact CB-CE2 3.42Å; F222-F225 HydrophobicContact CD1-CE2 4.29Å; F222-F225 AromaticContact CG-CE2 3.96Å; F222-F225 HydrophobicContact CG-CE2 3.96Å; V223-F225 PolarHBondContact O-N 2.78Å; F225-Y232 WeakPolarHBondContact O-CB 3.23Å; F225-I233 HydrophobicContact CB-CD1 4.09Å; F225-I233 HydrophobicContact CD1-CD1 4.11Å; F225-I233 HydrophobicContact CD2-CD1 3.72Å; F225-I233 HydrophobicContact CE1-CD1 4.39Å; F225-I233 HydrophobicContact CE2-CD1 4.03Å; F225-I233 HydrophobicContact CG-CD1 3.72Å; F225-I233 HydrophobicContact CZ-CD1 4.32Å; F225-A236 HydrophobicContact CE1-CB 3.75Å; F225-A236 HydrophobicContact CE2-CB 4.16Å; F225-A236 HydrophobicContact CZ-CB 3.37Å |
| 226 | K | 59.2 | Low | 81.4 | Confident | 22 Ų | 22 | 37.4 Ų | 37.4 | 10% | 0.096 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -142.4 | 4.1 | -158.6 | -77.9 | -90 | -177.1 | 141.4 | 0 | 117.5 | T60 E65 Q224 H228 N230 | T60-K226 WeakPolarHBondContact O-CE 3.42Å; T60-K226 PolarHBondContact O-NZ 3.17Å; T60-K226 WeakPolarHBondContact OG1-CB 3.44Å; T60-K226 WeakPolarHBondContact OG1-CD 3.27Å; T60-K226 WeakPolarHBondContact OG1-CG 2.99Å; E65-K226 VanDerWaalsContact OE1-CE 3.27Å; E65-K226 WeakPolarHBondContact OE1-CE 3.41Å; E65-K226 IonicContact OE1-NZ 3.56Å; E65-K226 PolarHBondContact OE1-NZ 2.73Å; E65-K226 IonicContact OE2-NZ 3.83Å; E65-K226 PolarHBondContact OE2-NZ 3.17Å; Q224-K226 PolarHBondContact O-N 3.09Å; K226-H228 PolarHBondContact O-N 2.96Å; K226-N230 HydrophobicContact CD-CB 4.41Å; K226-N230 WeakPolarHBondContact CD-OD1 3.46Å; K226-N230 VanDerWaalsContact CE-OD1 3.3Å; K226-N230 WeakPolarHBondContact CE-OD1 3.47Å; K226-N230 PolarHBondContact NZ-OD1 2.91Å |
| 227 | H | 54.9 | Low | 81.4 | Confident | 79 Ų | 79 | 37.9 Ų | 37.9 | 37% | 0.366 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -70.7 | -17.5 | -179.1 | -66.5 | -54.3 | 0 | 0 | 0 | 114.5 | L151 | L151-H227 WeakPolarHBondContact CD1-NE2 3.07Š|
| 228 | H | 50.8 | Low | 81.2 | Confident | 170 Ų | 170 | 42.8 Ų | 42.8 | 79% | 0.787 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -137.5 | -23.9 | -178 | -61.2 | -57.2 | 0 | 0 | 0 | 116.5 | K226 | K226-H228 PolarHBondContact O-N 2.96Š|
| 229 | D | 63.8 | Low | 81 | Confident | 67 Ų | 67 | 45 Ų | 45 | 36% | 0.358 | 21% | 0.211 | S | C | . | . | trans | -154.6 | 125.5 | 177.9 | -175.2 | -6.5 | 0 | 0 | 0 | 111.6 | N231 Y232 | D229-N231 PolarHBondContact O-N 3.04Å; D229-N231 WeakPolarHBondContact OD1-CB 3.33Å; D229-N231 PolarHBondContact OD1-N 3.22Å; D229-N231 PolarHBondContact OD1-ND2 3.46Å; D229-N231 PolarHBondContact OD2-ND2 2.73Å; D229-Y232 HydrophobicContact CB-CD2 3.56Å; D229-Y232 HydrophobicContact CB-CE2 3.54Å; D229-Y232 WeakPolarHBondContact O-CD2 3.45Å; D229-Y232 PolarHBondContact O-N 2.9Å | ||
| 230 | N | 64.5 | Low | 80.9 | Confident | 35 Ų | 35 | 45 Ų | 45 | 19% | 0.187 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -15 | 175.1 | -74.6 | -24.9 | 0 | 0 | 0 | 113.3 | K226 I233 S284 | K226-N230 HydrophobicContact CD-CB 4.41Å; K226-N230 WeakPolarHBondContact CD-OD1 3.46Å; K226-N230 VanDerWaalsContact CE-OD1 3.3Å; K226-N230 WeakPolarHBondContact CE-OD1 3.47Å; K226-N230 PolarHBondContact NZ-OD1 2.91Å; N230-I233 WeakPolarHBondContact O-CG2 3.36Å; N230-S284 PolarHBondContact ND2-OG 2.86Å; N230-S284 VanDerWaalsContact ND2-OG 3.14Å; N230-S284 PolarHBondContact OD1-OG 2.8Å; N230-S284 VanDerWaalsContact OD1-OG 3.12Å |
| 231 | N | 73.9 | Confident | 80.9 | Confident | 66 Ų | 66 | 45.5 Ų | 45.5 | 35% | 0.353 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -17.4 | 178.4 | -65.4 | -62.9 | 0 | 0 | 0 | 114.5 | K69 D229 I233 K234 | K69-N231 PolarHBondContact NZ-OD1 2.72Å; D229-N231 PolarHBondContact O-N 3.04Å; D229-N231 WeakPolarHBondContact OD1-CB 3.33Å; D229-N231 PolarHBondContact OD1-N 3.22Å; D229-N231 PolarHBondContact OD1-ND2 3.46Å; D229-N231 PolarHBondContact OD2-ND2 2.73Å; N231-I233 PolarHBondContact O-N 3.22Å; N231-K234 WeakPolarHBondContact O-CB 3.41Å; N231-K234 WeakPolarHBondContact O-CG 3.5Å; N231-K234 PolarHBondContact O-N 3.39Å; N231-K234 VanDerWaalsContact O-N 3.12Å |
| 232 | Y | 78 | Confident | 80.9 | Confident | 114 Ų | 114 | 48.7 Ų | 48.7 | 45% | 0.447 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -62 | -28.4 | -176.8 | -81.9 | -73.9 | 0 | 0 | 0 | 113 | F225 D229 K234 M235 | F225-Y232 WeakPolarHBondContact O-CB 3.23Å; D229-Y232 HydrophobicContact CB-CD2 3.56Å; D229-Y232 HydrophobicContact CB-CE2 3.54Å; D229-Y232 WeakPolarHBondContact O-CD2 3.45Å; D229-Y232 PolarHBondContact O-N 2.9Å; Y232-K234 PolarHBondContact O-N 3.2Å; Y232-K234 VanDerWaalsContact O-N 3.11Å; Y232-M235 HydrophobicContact CD1-SD 3.85Å; Y232-M235 HydrophobicContact CE1-SD 4.48Å; Y232-M235 WeakPolarHBondContact O-CB 3.48Å; Y232-M235 PolarHBondContact O-N 2.93Å |
| 233 | I | 86.9 | Confident | 81 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -57.5 | -27.8 | 177.1 | -166.8 | 62.1 | 0 | 0 | 0 | 112.7 | F58 V61 K69 M70 F225 N230 N231 M235 A236 | F58-I233 HydrophobicContact CB-CD1 4.32Å; F58-I233 HydrophobicContact CD1-CD1 3.67Å; F58-I233 HydrophobicContact CE1-CD1 4.33Å; F58-I233 HydrophobicContact CG-CD1 4.23Å; V61-I233 HydrophobicContact CG2-CD1 3.99Å; V61-I233 HydrophobicContact CG2-CG1 3.92Å; K69-I233 HydrophobicContact CB-CG2 3.71Å; K69-I233 HydrophobicContact CG-CG2 4.21Å; M70-I233 HydrophobicContact CG-CG1 3.98Å; M70-I233 HydrophobicContact SD-CD1 4.44Å; M70-I233 HydrophobicContact SD-CG1 3.96Å; F225-I233 HydrophobicContact CB-CD1 4.09Å; F225-I233 HydrophobicContact CD1-CD1 4.11Å; F225-I233 HydrophobicContact CD2-CD1 3.72Å; F225-I233 HydrophobicContact CE1-CD1 4.39Å; F225-I233 HydrophobicContact CE2-CD1 4.03Å; F225-I233 HydrophobicContact CG-CD1 3.72Å; F225-I233 HydrophobicContact CZ-CD1 4.32Å; N230-I233 WeakPolarHBondContact O-CG2 3.36Å; N231-I233 PolarHBondContact O-N 3.22Å; I233-M235 PolarHBondContact O-N 3.43Å; I233-M235 VanDerWaalsContact O-N 3.1Å; I233-A236 HydrophobicContact CD1-CB 4.19Å; I233-A236 VanDerWaalsContact O-CB 3.24Å; I233-A236 WeakPolarHBondContact O-CB 3.49Å; I233-A236 PolarHBondContact O-N 2.8Å |
| 234 | K | 88.8 | Confident | 81.4 | Confident | 109 Ų | 109 | 48.7 Ų | 48.7 | 47% | 0.474 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -56.9 | -28.4 | 176.3 | -68.1 | -177.8 | 176.6 | -178.7 | 0 | 113 | K69 N231 Y232 A236 D237 | K69-K234 HydrophobicContact CB-CG 3.94Å; K69-K234 HydrophobicContact CD-CD 4.21Å; K69-K234 HydrophobicContact CD-CG 3.93Å; K69-K234 HydrophobicContact CG-CG 4.49Å; N231-K234 WeakPolarHBondContact O-CB 3.41Å; N231-K234 WeakPolarHBondContact O-CG 3.5Å; N231-K234 PolarHBondContact O-N 3.39Å; N231-K234 VanDerWaalsContact O-N 3.12Å; Y232-K234 PolarHBondContact O-N 3.2Å; Y232-K234 VanDerWaalsContact O-N 3.11Å; K234-A236 PolarHBondContact O-N 2.89Å; K234-D237 WeakPolarHBondContact O-CB 3.15Å; K234-D237 PolarHBondContact O-N 2.82Å |
| 235 | M | 87.4 | Confident | 82.2 | Confident | 89 Ų | 89 | 50.9 Ų | 50.9 | 44% | 0.438 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -65 | -26.8 | 177.2 | -64.3 | 177 | 63.4 | 0 | 0 | 112 | H194 Y232 I233 D237 | H194-M235 WeakPolarHBondContact NE2-CE 3.09Å; Y232-M235 HydrophobicContact CD1-SD 3.85Å; Y232-M235 HydrophobicContact CE1-SD 4.48Å; Y232-M235 WeakPolarHBondContact O-CB 3.48Å; Y232-M235 PolarHBondContact O-N 2.93Å; I233-M235 PolarHBondContact O-N 3.43Å; I233-M235 VanDerWaalsContact O-N 3.1Å; M235-D237 VanDerWaalsContact C-N 3.3Å |
| 236 | A | 91.8 | Very high | 83.5 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -76.1 | -17 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F58 M70 F225 I233 K234 M239 T240 | F58-A236 HydrophobicContact CE1-CB 4.12Å; M70-A236 HydrophobicContact CE-CB 3.73Å; M70-A236 HydrophobicContact SD-CB 3.87Å; F225-A236 HydrophobicContact CE1-CB 3.75Å; F225-A236 HydrophobicContact CE2-CB 4.16Å; F225-A236 HydrophobicContact CZ-CB 3.37Å; I233-A236 HydrophobicContact CD1-CB 4.19Å; I233-A236 VanDerWaalsContact O-CB 3.24Å; I233-A236 WeakPolarHBondContact O-CB 3.49Å; I233-A236 PolarHBondContact O-N 2.8Å; K234-A236 PolarHBondContact O-N 2.89Å; A236-M239 PolarHBondContact O-N 2.91Å; A236-T240 VanDerWaalsContact O-CB 3.28Å; A236-T240 WeakPolarHBondContact O-CB 3.2Å; A236-T240 PolarHBondContact O-N 3.12Å; A236-T240 PolarHBondContact O-OG1 3.22Å |
| 237 | D | 94.9 | Very high | 85.1 | Confident | 11 Ų | 11 | 50.6 Ų | 50.6 | 6% | 0.059 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.9 | -57.2 | -167.2 | -168.9 | 25.9 | 0 | 0 | 0 | 111.5 | M70 K71 Q72 T73 K234 M235 M239 T240 V241 | M70-D237 VanDerWaalsContact CA-OD1 3.29Å; M70-D237 WeakPolarHBondContact CA-OD1 3.18Å; M70-D237 VanDerWaalsContact SD-CA 3.51Å; M70-D237 HydrophobicContact SD-CB 3.8Å; M70-D237 PolarHBondContact SD-N 2.86Å; M70-D237 VanDerWaalsContact SD-N 3.43Å; K71-D237 PolarHBondContact N-OD1 2.88Å; K71-D237 PolarHBondContact N-OD2 2.91Å; Q72-D237 WeakPolarHBondContact CB-OD2 3.45Å; Q72-D237 PolarHBondContact N-OD1 3.16Å; Q72-D237 VanDerWaalsContact N-OD1 3.14Å; Q72-D237 PolarHBondContact N-OD2 3.12Å; Q72-D237 PolarHBondContact NE2-OD2 2.49Å; T73-D237 WeakPolarHBondContact CB-OD1 3.24Å; T73-D237 PolarHBondContact N-OD1 2.95Å; T73-D237 PolarHBondContact OG1-O 3.2Å; T73-D237 PolarHBondContact OG1-OD1 3.33Å; K234-D237 WeakPolarHBondContact O-CB 3.15Å; K234-D237 PolarHBondContact O-N 2.82Å; M235-D237 VanDerWaalsContact C-N 3.3Å; D237-M239 PolarHBondContact O-N 3.04Å; D237-T240 PolarHBondContact O-N 2.87Å; D237-V241 WeakPolarHBondContact O-CG2 3.34Å; D237-V241 PolarHBondContact O-N 3.42Å; D237-V241 VanDerWaalsContact O-N 3.16Å |
| 238 | H | 94.9 | Very high | 86.8 | Confident | 102 Ų | 102 | 49.6 Ų | 49.6 | 47% | 0.472 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.4 | -41.3 | 179.4 | -167.6 | -80.7 | 0 | 0 | 0 | 112.2 | T240 V241 D242 | H238-T240 VanDerWaalsContact C-N 3.3Å; H238-T240 PolarHBondContact O-N 3.06Å; H238-V241 WeakPolarHBondContact O-CB 3.36Å; H238-V241 PolarHBondContact O-N 2.95Å; H238-V241 VanDerWaalsContact O-N 3.15Å; H238-D242 VanDerWaalsContact CE1-CG 3.48Å; H238-D242 IonicContact CE1-OD1 3.06Å; H238-D242 PolarHBondContact CE1-OD1 3.14Å; H238-D242 VanDerWaalsContact CE1-OD1 3.24Å; H238-D242 IonicContact CE1-OD2 3.58Å; H238-D242 PolarHBondContact CE1-OD2 2.84Å; H238-D242 IonicContact CG-OD2 3.21Å; H238-D242 IonicContact ND1-OD1 2.78Å; H238-D242 IonicContact ND1-OD2 3.47Å; H238-D242 PolarHBondContact ND1-OD2 2.71Å; H238-D242 PolarHBondContact O-N 3.44Å |
| 239 | M | 94.6 | Very high | 88.4 | Confident | 48 Ų | 48 | 47 Ų | 47 | 24% | 0.236 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.2 | -36.7 | -179.5 | -65 | 179.7 | 178.4 | 0 | 0 | 112.1 | H194 L196 H197 F200 A236 D237 H243 | H194-M239 HydrophobicContact CB-CE 3.95Å; L196-M239 HydrophobicContact CB-SD 3.84Å; L196-M239 HydrophobicContact CD1-SD 4.06Å; H197-M239 HydrophobicContact CB-SD 4.42Å; F200-M239 HydrophobicContact CD2-CB 4.27Å; F200-M239 HydrophobicContact CE2-CB 4.08Å; A236-M239 PolarHBondContact O-N 2.91Å; D237-M239 PolarHBondContact O-N 3.04Å; M239-H243 VanDerWaalsContact O-CB 3.31Å; M239-H243 WeakPolarHBondContact O-CB 3.41Å; M239-H243 PolarHBondContact O-N 2.86Å |
| 240 | T | 96.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -71.1 | -37.3 | 176.8 | -51.1 | 0 | 0 | 0 | 0 | 110.6 | F58 M70 T73 F200 A236 D237 H238 H243 L244 | F58-T240 HydrophobicContact CZ-CG2 4.06Å; M70-T240 WeakPolarHBondContact CE-OG1 3.39Å; T73-T240 HydrophobicContact CG2-CG2 3.56Å; F200-T240 HydrophobicContact CZ-CG2 4.36Å; A236-T240 VanDerWaalsContact O-CB 3.28Å; A236-T240 WeakPolarHBondContact O-CB 3.2Å; A236-T240 PolarHBondContact O-N 3.12Å; A236-T240 PolarHBondContact O-OG1 3.22Å; D237-T240 PolarHBondContact O-N 2.87Å; H238-T240 VanDerWaalsContact C-N 3.3Å; H238-T240 PolarHBondContact O-N 3.06Å; T240-H243 PolarHBondContact O-N 2.8Å; T240-L244 HydrophobicContact CG2-CD1 4.23Å; T240-L244 HydrophobicContact CG2-CG 4.46Å; T240-L244 WeakPolarHBondContact O-CB 3.43Å; T240-L244 VanDerWaalsContact O-CG 3.26Å; T240-L244 WeakPolarHBondContact O-CG 3.19Å; T240-L244 PolarHBondContact O-N 2.69Å |
| 241 | V | 97.1 | Very high | 88.1 | Confident | 11 Ų | 11 | 44.4 Ų | 44.4 | 7% | 0.067 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.1 | -49.5 | 172.5 | 173.3 | 0 | 0 | 0 | 0 | 111 | Q72 Y76 D237 H238 H243 L244 K245 | Q72-V241 HydrophobicContact CB-CG2 3.84Å; Y76-V241 HydrophobicContact CD2-CG1 4.36Å; Y76-V241 HydrophobicContact CG-CG1 4.19Å; D237-V241 WeakPolarHBondContact O-CG2 3.34Å; D237-V241 PolarHBondContact O-N 3.42Å; D237-V241 VanDerWaalsContact O-N 3.16Å; H238-V241 WeakPolarHBondContact O-CB 3.36Å; H238-V241 PolarHBondContact O-N 2.95Å; H238-V241 VanDerWaalsContact O-N 3.15Å; V241-H243 VanDerWaalsContact C-N 3.29Å; V241-H243 PolarHBondContact O-N 2.85Å; V241-L244 PolarHBondContact O-N 2.72Å; V241-K245 HydrophobicContact CG1-CD 4.17Å; V241-K245 HydrophobicContact CG1-CG 4.43Å; V241-K245 WeakPolarHBondContact O-CG 3.37Å; V241-K245 PolarHBondContact O-N 2.83Å |
| 242 | D | 95.1 | Very high | 86.9 | Confident | 67 Ų | 67 | 42.9 Ų | 42.9 | 36% | 0.358 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.3 | -43 | 179.3 | -66.4 | -25.6 | 0 | 0 | 0 | 111.2 | H238 K245 F246 | H238-D242 VanDerWaalsContact CE1-CG 3.48Å; H238-D242 IonicContact CE1-OD1 3.06Å; H238-D242 PolarHBondContact CE1-OD1 3.14Å; H238-D242 VanDerWaalsContact CE1-OD1 3.24Å; H238-D242 IonicContact CE1-OD2 3.58Å; H238-D242 PolarHBondContact CE1-OD2 2.84Å; H238-D242 IonicContact CG-OD2 3.21Å; H238-D242 IonicContact ND1-OD1 2.78Å; H238-D242 IonicContact ND1-OD2 3.47Å; H238-D242 PolarHBondContact ND1-OD2 2.71Å; H238-D242 PolarHBondContact O-N 3.44Å; D242-K245 WeakPolarHBondContact O-CB 3.43Å; D242-K245 PolarHBondContact O-N 3.43Å; D242-F246 PolarHBondContact O-N 2.95Å |
| 243 | H | 95.9 | Very high | 85.7 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.3 | -43.1 | 176.3 | -171.2 | 64.9 | 0 | 0 | 0 | 112.5 | Y54 F200 E204 M239 T240 V241 K245 F246 F247 | Y54-H243 AromaticContact CE1-CD2 3.98Å; Y54-H243 AromaticContact CE1-NE2 3.27Å; Y54-H243 VanDerWaalsContact CE1-NE2 3.27Å; Y54-H243 WeakPolarHBondContact CE1-NE2 3.39Å; Y54-H243 AromaticContact CZ-NE2 3.46Å; Y54-H243 PolarHBondContact OH-NE2 3.36Å; F200-H243 HydrophobicContact CB-CB 4.39Å; F200-H243 HydrophobicContact CD1-CB 3.87Å; F200-H243 AromaticContact CD1-CD2 3.35Å; F200-H243 WeakPolarHBondContact CD1-CD2 3.3Å; F200-H243 AromaticContact CD1-CE1 3.92Å; F200-H243 AromaticContact CD1-CG 3.38Å; F200-H243 AromaticContact CD1-ND1 3.77Å; F200-H243 AromaticContact CD1-NE2 3.71Å; F200-H243 HydrophobicContact CE1-CB 4.25Å; F200-H243 AromaticContact CE1-CD2 3.74Å; F200-H243 HydrophobicContact CG-CB 4.05Å; F200-H243 AromaticContact CG-CG 3.83Å; F200-H243 AromaticContact CG-ND1 3.99Å; F200-H243 PolarHBondContact O-CE1 2.92Å; E204-H243 VanDerWaalsContact CG-CE1 3.47Å; E204-H243 WeakPolarHBondContact CG-CE1 3.44Å; E204-H243 WeakPolarHBondContact CG-ND1 3.31Å; E204-H243 IonicContact OE1-CE1 3.56Å; E204-H243 IonicContact OE1-CG 3.31Å; E204-H243 IonicContact OE1-ND1 3.84Å; E204-H243 PolarHBondContact OE1-ND1 2.65Å; M239-H243 VanDerWaalsContact O-CB 3.31Å; M239-H243 WeakPolarHBondContact O-CB 3.41Å; M239-H243 PolarHBondContact O-N 2.86Å; T240-H243 PolarHBondContact O-N 2.8Å; V241-H243 VanDerWaalsContact C-N 3.29Å; V241-H243 PolarHBondContact O-N 2.85Å; H243-K245 VanDerWaalsContact C-N 3.32Å; H243-K245 PolarHBondContact O-N 3.42Å; H243-F246 WeakPolarHBondContact O-CB 3.35Å; H243-F246 PolarHBondContact O-N 2.88Å; H243-F247 AromaticContact CE1-CE2 3.63Å; H243-F247 AromaticContact NE2-CE2 3.44Å; H243-F247 WeakPolarHBondContact NE2-CE2 3.47Å; H243-F247 WeakPolarHBondContact O-CD2 3.37Å; H243-F247 PolarHBondContact O-N 3.05Å |
| 244 | L | 96.4 | Very high | 84.2 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.3 | -31.3 | 175.7 | -70.1 | 173.7 | 0 | 0 | 0 | 112.4 | I56 T73 Y76 I77 L81 T240 V241 F247 N248 I276 I307 | I56-L244 HydrophobicContact CD1-CD2 4.12Å; T73-L244 HydrophobicContact CG2-CD1 4.28Å; Y76-L244 HydrophobicContact CD1-CB 3.81Å; Y76-L244 HydrophobicContact CD1-CD1 4.18Å; Y76-L244 HydrophobicContact CE1-CB 3.61Å; I77-L244 HydrophobicContact CD1-CD1 4.2Å; I77-L244 HydrophobicContact CG1-CD1 3.77Å; L81-L244 HydrophobicContact CD1-CB 4.18Å; L81-L244 HydrophobicContact CD1-CD1 4.31Å; L81-L244 HydrophobicContact CD1-CD2 4.38Å; T240-L244 HydrophobicContact CG2-CD1 4.23Å; T240-L244 HydrophobicContact CG2-CG 4.46Å; T240-L244 WeakPolarHBondContact O-CB 3.43Å; T240-L244 VanDerWaalsContact O-CG 3.26Å; T240-L244 WeakPolarHBondContact O-CG 3.19Å; T240-L244 PolarHBondContact O-N 2.69Å; V241-L244 PolarHBondContact O-N 2.72Å; L244-F247 PolarHBondContact O-N 2.72Å; L244-N248 WeakPolarHBondContact O-CB 3.36Å; L244-N248 PolarHBondContact O-N 2.76Å; L244-I276 HydrophobicContact CD2-CD1 4.37Å; L244-I276 HydrophobicContact CD2-CG2 4.21Å; L244-I307 HydrophobicContact CD2-CD1 4.39Å |
| 245 | K | 94.4 | Very high | 82.4 | Confident | 73 Ų | 73 | 45.4 Ų | 45.4 | 32% | 0.317 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.2 | -41.5 | 170.6 | -77 | 176.2 | 174.9 | 178 | 0 | 111.9 | Y76 V241 D242 H243 F247 N248 E249 | Y76-K245 HydrophobicContact CE1-CG 4.06Å; Y76-K245 HydrophobicContact CE2-CG 3.85Å; Y76-K245 VanDerWaalsContact CZ-CG 3.47Å; Y76-K245 VanDerWaalsContact OH-CG 3.3Å; Y76-K245 WeakPolarHBondContact OH-CG 3.38Å; V241-K245 HydrophobicContact CG1-CD 4.17Å; V241-K245 HydrophobicContact CG1-CG 4.43Å; V241-K245 WeakPolarHBondContact O-CG 3.37Å; V241-K245 PolarHBondContact O-N 2.83Å; D242-K245 WeakPolarHBondContact O-CB 3.43Å; D242-K245 PolarHBondContact O-N 3.43Å; H243-K245 VanDerWaalsContact C-N 3.32Å; H243-K245 PolarHBondContact O-N 3.42Å; K245-F247 PolarHBondContact O-N 3.35Å; K245-N248 PolarHBondContact O-N 3.37Å; K245-E249 WeakPolarHBondContact O-CB 3.35Å; K245-E249 PolarHBondContact O-N 3.46Å |
| 246 | F | 93.2 | Very high | 80.4 | Confident | 19 Ų | 19 | 44.9 Ų | 44.9 | 8% | 0.083 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -53 | -44.4 | 173.4 | 169.5 | -87.1 | 0 | 0 | 0 | 111.9 | E204 T208 D242 H243 T250 G251 I254 F270 | E204-F246 HydrophobicContact CB-CD1 4.15Å; E204-F246 HydrophobicContact CB-CD2 4.49Å; E204-F246 HydrophobicContact CB-CE1 3.7Å; E204-F246 HydrophobicContact CB-CE2 4.05Å; E204-F246 HydrophobicContact CB-CZ 3.63Å; E204-F246 HydrophobicContact CG-CD1 3.66Å; E204-F246 HydrophobicContact CG-CD2 4.27Å; E204-F246 HydrophobicContact CG-CE1 3.73Å; E204-F246 HydrophobicContact CG-CE2 4.32Å; E204-F246 HydrophobicContact CG-CG 3.95Å; E204-F246 HydrophobicContact CG-CZ 4.06Å; T208-F246 HydrophobicContact CG2-CE2 4.5Å; T208-F246 HydrophobicContact CG2-CZ 3.85Å; D242-F246 PolarHBondContact O-N 2.95Å; H243-F246 WeakPolarHBondContact O-CB 3.35Å; H243-F246 PolarHBondContact O-N 2.88Å; F246-T250 PolarHBondContact O-N 2.9Å; F246-G251 PolarHBondContact O-N 3.48Å; F246-I254 HydrophobicContact CD2-CD1 4.37Å; F246-I254 HydrophobicContact CE2-CD1 3.84Å; F246-F270 HydrophobicContact CD1-CD2 4.44Å; F246-F270 AromaticContact CE1-CD2 3.69Å; F246-F270 HydrophobicContact CE1-CD2 3.69Å; F246-F270 AromaticContact CE1-CE2 3.77Å; F246-F270 HydrophobicContact CE1-CE2 3.77Å; F246-F270 HydrophobicContact CZ-CD2 4.1Å; F246-F270 AromaticContact CZ-CE2 3.7Å; F246-F270 HydrophobicContact CZ-CE2 3.7Å |
| 247 | F | 93.7 | Very high | 78 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -68.7 | -39 | 176.1 | -85.4 | -95.4 | 0 | 0 | 0 | 113.1 | Y54 V203 F207 H243 L244 K245 G269 F270 L271 I276 | Y54-F247 AromaticContact CD1-CE1 3.94Å; Y54-F247 HydrophobicContact CD1-CE1 3.94Å; Y54-F247 AromaticContact CD1-CE2 3.9Å; Y54-F247 HydrophobicContact CD1-CE2 3.9Å; Y54-F247 AromaticContact CD1-CZ 3.52Å; Y54-F247 HydrophobicContact CD1-CZ 3.52Å; Y54-F247 HydrophobicContact CE1-CD2 4.41Å; Y54-F247 AromaticContact CE1-CE2 3.63Å; Y54-F247 HydrophobicContact CE1-CE2 3.63Å; Y54-F247 AromaticContact CE1-CZ 3.68Å; Y54-F247 HydrophobicContact CE1-CZ 3.68Å; Y54-F247 HydrophobicContact CG-CZ 4.41Å; V203-F247 HydrophobicContact CG1-CZ 4.12Å; F207-F247 AromaticContact CD1-CE1 3.71Å; F207-F247 HydrophobicContact CD1-CE1 3.71Å; F207-F247 HydrophobicContact CD1-CZ 4.26Å; F207-F247 AromaticContact CD2-CE1 3.86Å; F207-F247 HydrophobicContact CD2-CE1 3.86Å; F207-F247 AromaticContact CD2-CZ 3.56Å; F207-F247 HydrophobicContact CD2-CZ 3.56Å; F207-F247 AromaticContact CE1-CE1 3.64Å; F207-F247 HydrophobicContact CE1-CE1 3.64Å; F207-F247 HydrophobicContact CE1-CZ 4.32Å; F207-F247 AromaticContact CE2-CE1 3.77Å; F207-F247 HydrophobicContact CE2-CE1 3.77Å; F207-F247 AromaticContact CE2-CZ 3.63Å; F207-F247 HydrophobicContact CE2-CZ 3.63Å; F207-F247 AromaticContact CG-CE1 3.83Å; F207-F247 HydrophobicContact CG-CE1 3.83Å; F207-F247 AromaticContact CG-CZ 3.89Å; F207-F247 HydrophobicContact CG-CZ 3.89Å; F207-F247 AromaticContact CZ-CE1 3.67Å; F207-F247 HydrophobicContact CZ-CE1 3.67Å; F207-F247 HydrophobicContact CZ-CZ 4.03Å; H243-F247 AromaticContact CE1-CE2 3.63Å; H243-F247 AromaticContact NE2-CE2 3.44Å; H243-F247 WeakPolarHBondContact NE2-CE2 3.47Å; H243-F247 WeakPolarHBondContact O-CD2 3.37Å; H243-F247 PolarHBondContact O-N 3.05Å; L244-F247 PolarHBondContact O-N 2.72Å; K245-F247 PolarHBondContact O-N 3.35Å; F247-G269 CarbonylContact O-C 3.47Å; F247-F270 HydrophobicContact CD1-CB 3.66Å; F247-F270 HydrophobicContact CE1-CB 4.16Å; F247-F270 HydrophobicContact CG-CB 4.41Å; F247-F270 PolarHBondContact O-N 3.08Å; F247-L271 WeakPolarHBondContact O-CB 3.47Å; F247-L271 PolarHBondContact O-N 3.47Å; F247-I276 HydrophobicContact CB-CD1 3.94Å; F247-I276 HydrophobicContact CD1-CD1 3.89Å; F247-I276 HydrophobicContact CG-CD1 3.91Å |
| 248 | N | 91.2 | Very high | 75.8 | Confident | 59 Ų | 59 | 59.3 Ų | 59.3 | 32% | 0.316 | 30% | 0.299 | S | S | . | . | I | π-helix | trans | -76.6 | -44.7 | -176.2 | -171 | 45.5 | 0 | 0 | 0 | 113.2 | Y76 L81 L244 K245 L271 | Y76-N248 PolarHBondContact OH-ND2 3.46Å; L81-N248 HydrophobicContact CD2-CB 3.85Å; L244-N248 WeakPolarHBondContact O-CB 3.36Å; L244-N248 PolarHBondContact O-N 2.76Å; K245-N248 PolarHBondContact O-N 3.37Å; N248-L271 HydrophobicContact CB-CD2 4.33Å; N248-L271 WeakPolarHBondContact OD1-CD2 3.49Å |
| 249 | E | 83.4 | Confident | 73 | Confident | 115 Ų | 115 | 60.9 Ų | 60.9 | 54% | 0.537 | 31% | 0.309 | S | S | . | . | I | π-helix | trans | -108.5 | -45 | -165 | -60.8 | 171.2 | -170.5 | 0 | 0 | 112.6 | K245 | K245-E249 WeakPolarHBondContact O-CB 3.35Å; K245-E249 PolarHBondContact O-N 3.46Å |
| 250 | T | 65.1 | Low | 70.4 | Confident | 47 Ų | 47 | 65.7 Ų | 65.7 | 29% | 0.288 | 34% | 0.335 | S | S | . | . | I | π-helix | trans | -100.5 | -8.5 | -159 | -22.7 | 0 | 0 | 0 | 0 | 114.5 | F246 D252 V253 I254 | F246-T250 PolarHBondContact O-N 2.9Å; T250-D252 PolarHBondContact O-N 2.85Å; T250-V253 HydrophobicContact CG2-CB 4.49Å; T250-V253 PolarHBondContact O-N 3.25Å; T250-V253 VanDerWaalsContact O-N 3.13Å; T250-I254 HydrophobicContact CG2-CD1 4.07Å; T250-I254 HydrophobicContact CG2-CG1 4.38Å |
| 251 | G | 56.8 | Low | 67.9 | Low | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -29.6 | -169 | 0 | 0 | 0 | 0 | 0 | 115.4 | F246 F270 | F246-G251 PolarHBondContact O-N 3.48Å; G251-F270 WeakPolarHBondContact O-CE2 3.38Å; G251-F270 WeakPolarHBondContact O-CZ 3.38Å |
| 252 | D | 50 | Low | 65.4 | Low | 34 Ų | 34 | 81.1 Ų | 81.1 | 18% | 0.182 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -28.4 | -179.3 | -62.8 | -32.6 | 0 | 0 | 0 | 113.7 | R212 T250 I254 M255 N268 | R212-D252 IonicContact CZ-OD1 3.23Å; R212-D252 IonicContact NE-OD1 2.91Å; R212-D252 PolarHBondContact NE-OD1 2.95Å; R212-D252 IonicContact NH2-OD1 3.09Å; T250-D252 PolarHBondContact O-N 2.85Å; D252-I254 VanDerWaalsContact C-N 3.25Å; D252-I254 PolarHBondContact O-N 2.8Å; D252-M255 PolarHBondContact O-N 2.67Å; D252-N268 PolarHBondContact OD2-N 2.77Å |
| 253 | V | 52.3 | Low | 62.5 | Low | 112 Ų | 112 | 82.1 Ų | 82.1 | 68% | 0.679 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -66.1 | -30.3 | -175.2 | -178 | 0 | 0 | 0 | 0 | 111.6 | T250 | T250-V253 HydrophobicContact CG2-CB 4.49Å; T250-V253 PolarHBondContact O-N 3.25Å; T250-V253 VanDerWaalsContact O-N 3.13Å |
| 254 | I | 54.9 | Low | 59.8 | Low | 98 Ų | 98 | 87.9 Ų | 87.9 | 50% | 0.503 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -83.4 | -16.9 | -177.9 | -63.1 | 169.6 | 0 | 0 | 0 | 111.8 | T208 F246 T250 D252 | T208-I254 HydrophobicContact CG2-CG2 4.42Å; F246-I254 HydrophobicContact CD2-CD1 4.37Å; F246-I254 HydrophobicContact CE2-CD1 3.84Å; T250-I254 HydrophobicContact CG2-CD1 4.07Å; T250-I254 HydrophobicContact CG2-CG1 4.38Å; D252-I254 VanDerWaalsContact C-N 3.25Å; D252-I254 PolarHBondContact O-N 2.8Å |
| 255 | M | 50.7 | Low | 57.1 | Low | 66 Ų | 66 | 93.1 Ų | 93.1 | 33% | 0.325 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -91.3 | 0.1 | -171.6 | -70.7 | -63.5 | -70.3 | 0 | 0 | 115.3 | T208 D252 F270 | T208-M255 HydrophobicContact CG2-SD 4.2Å; T208-M255 VanDerWaalsContact O-CE 3.23Å; T208-M255 WeakPolarHBondContact O-CE 3.45Å; D252-M255 PolarHBondContact O-N 2.67Å; M255-F270 HydrophobicContact CG-CZ 4.28Å |
| 256 | Q | 46.4 | Very low | 54.7 | Low | 79 Ų | 79 | 92.6 Ų | 92.6 | 37% | 0.369 | 51% | 0.506 | S | S | . | . | trans | -143.6 | 118.5 | 177 | -75.2 | -160.5 | -6.1 | 0 | 0 | 114.7 | ||||
| 257 | P | 41 | Very low | 52.6 | Low | 116 Ų | 116 | 100.7 Ų | 100.7 | 75% | 0.753 | 54% | 0.544 | S | S | * | . | S | Bend | -114.5 | 4 | 128.4 | -7.9 | 26.6 | 0 | 0 | 0 | 114.7 | |||
| 258 | Y | 47.9 | Very low | 51.3 | Low | 198 Ų | 198 | 104.3 Ų | 104.3 | 78% | 0.776 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -115.3 | 92.7 | -176.4 | -73.2 | -84.8 | 0 | 0 | 0 | 112.4 | ||
| 259 | I | 37.3 | Very low | 51 | Low | 135 Ų | 135 | 101.8 Ų | 101.8 | 69% | 0.692 | 55% | 0.551 | S | S | * | * | trans | 30.8 | 107.7 | 140.6 | -51.3 | 173.8 | 0 | 0 | 0 | 115.9 | ||||
| 260 | L | 39.4 | Very low | 51.4 | Low | 148 Ų | 148 | 96.3 Ų | 96.3 | 78% | 0.775 | 53% | 0.526 | S | S | * | . | trans | -132.2 | 133.8 | 145.7 | -78 | 175.9 | 0 | 0 | 0 | 110.1 | D262 | L260-D262 VanDerWaalsContact C-N 3.28Å; L260-D262 PolarHBondContact O-N 2.98Å | ||
| 261 | F | 44.1 | Very low | 52.7 | Low | 191 Ų | 191 | 94.9 Ų | 94.9 | 84% | 0.838 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -83.9 | 10 | -159.6 | -141.5 | -101.4 | 0 | 0 | 0 | 114 | ||
| 262 | D | 43.2 | Very low | 54.3 | Low | 145 Ų | 145 | 96 Ų | 96 | 78% | 0.775 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -125 | 105.9 | -178.3 | -67.2 | -34.7 | 0 | 0 | 0 | 108.9 | L260 C264 | L260-D262 VanDerWaalsContact C-N 3.28Å; L260-D262 PolarHBondContact O-N 2.98Å; D262-C264 PolarHBondContact O-N 2.97Å |
| 263 | G | 35.6 | Very low | 56.2 | Low | 87 Ų | 87 | 96.6 Ų | 96.6 | 90% | 0.897 | 53% | 0.525 | S | S | * | . | trans | -64.4 | 54.5 | -168 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 264 | C | 38.3 | Very low | 58.3 | Low | 122 Ų | 122 | 91.3 Ų | 91.3 | 82% | 0.824 | 49% | 0.493 | S | S | * | . | trans | -122.3 | 49.3 | 174.9 | -71.9 | 0 | 0 | 0 | 0 | 111.9 | D262 S266 | D262-C264 PolarHBondContact O-N 2.97Å; C264-S266 PolarHBondContact O-N 2.72Å | ||
| 265 | L | 39.8 | Very low | 60.2 | Low | 112 Ų | 112 | 86.8 Ų | 86.8 | 59% | 0.586 | 47% | 0.47 | S | S | * | . | trans | -69.5 | 106.2 | 158.7 | -81.2 | 163.9 | 0 | 0 | 0 | 107.5 | E267 | L265-E267 PolarHBondContact O-N 3.38Š| ||
| 266 | S | 44.1 | Very low | 62.5 | Low | 61 Ų | 61 | 83.7 Ų | 83.7 | 43% | 0.427 | 46% | 0.455 | S | S | . | . | trans | -63.7 | 119 | 164.5 | 57.5 | 0 | 0 | 0 | 0 | 107.6 | C264 N268 | C264-S266 PolarHBondContact O-N 2.72Å; S266-N268 PolarHBondContact O-N 2.89Å | ||
| 267 | E | 49.6 | Very low | 64.9 | Low | 189 Ų | 189 | 80 Ų | 80 | 88% | 0.883 | 44% | 0.438 | S | S | * | . | trans | -66.8 | 28.4 | -178 | -61.3 | 177.1 | 147.6 | 0 | 0 | 114.5 | L265 | L265-E267 PolarHBondContact O-N 3.38Š| ||
| 268 | N | 66.7 | Low | 67.7 | Low | 77 Ų | 77 | 74.5 Ų | 74.5 | 41% | 0.412 | 40% | 0.402 | S | S | . | . | trans | -130 | 120.9 | -164.7 | -56.7 | -38.9 | 0 | 0 | 0 | 112.6 | R212 D252 S266 N272 | R212-N268 PolarHBondContact NH2-O 3.1Å; D252-N268 PolarHBondContact OD2-N 2.77Å; S266-N268 PolarHBondContact O-N 2.89Å; N268-N272 HydrophobicContact CB-CB 3.57Å | ||
| 269 | G | 83.7 | Confident | 70 | Confident | 5 Ų | 5 | 65.1 Ų | 65.1 | 5% | 0.052 | 37% | 0.365 | C | S | . | . | trans | -51.7 | 171.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | F247 L271 N272 | F247-G269 CarbonylContact O-C 3.47Å; G269-L271 PolarHBondContact O-N 2.97Å; G269-N272 WeakPolarHBondContact O-CB 3.49Å; G269-N272 PolarHBondContact O-N 3.2Å | ||
| 270 | F | 92.1 | Very high | 72.7 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -50.7 | -26.4 | -174.5 | -70.2 | -65.3 | 0 | 0 | 0 | 115 | F207 T208 F246 F247 G251 M255 N272 D273 T274 | F207-F270 HydrophobicContact CB-CD1 4.2Å; F207-F270 HydrophobicContact CB-CD2 4.21Å; F207-F270 HydrophobicContact CB-CE1 4.09Å; F207-F270 HydrophobicContact CB-CE2 4.1Å; F207-F270 HydrophobicContact CB-CG 4.28Å; F207-F270 HydrophobicContact CB-CZ 4.06Å; F207-F270 HydrophobicContact CD1-CB 4.28Å; F207-F270 AromaticContact CD1-CD1 3.99Å; F207-F270 HydrophobicContact CD1-CD1 3.99Å; F207-F270 HydrophobicContact CD1-CG 4.14Å; F207-F270 WeakPolarHBondContact O-CE1 3.35Å; T208-F270 HydrophobicContact CG2-CE2 3.92Å; T208-F270 HydrophobicContact CG2-CZ 3.88Å; F246-F270 HydrophobicContact CD1-CD2 4.44Å; F246-F270 AromaticContact CE1-CD2 3.69Å; F246-F270 HydrophobicContact CE1-CD2 3.69Å; F246-F270 AromaticContact CE1-CE2 3.77Å; F246-F270 HydrophobicContact CE1-CE2 3.77Å; F246-F270 HydrophobicContact CZ-CD2 4.1Å; F246-F270 AromaticContact CZ-CE2 3.7Å; F246-F270 HydrophobicContact CZ-CE2 3.7Å; F247-F270 HydrophobicContact CD1-CB 3.66Å; F247-F270 HydrophobicContact CE1-CB 4.16Å; F247-F270 HydrophobicContact CG-CB 4.41Å; F247-F270 PolarHBondContact O-N 3.08Å; G251-F270 WeakPolarHBondContact O-CE2 3.38Å; G251-F270 WeakPolarHBondContact O-CZ 3.38Å; M255-F270 HydrophobicContact CG-CZ 4.28Å; F270-N272 PolarHBondContact O-N 3.24Å; F270-D273 PolarHBondContact O-N 3.47Å; F270-D273 VanDerWaalsContact O-N 3.16Å; F270-T274 WeakPolarHBondContact O-CB 3.32Å; F270-T274 PolarHBondContact O-N 3.29Å; F270-T274 PolarHBondContact O-OG1 3.3Å |
| 271 | L | 92.8 | Very high | 75.1 | Confident | 17 Ų | 17 | 51.7 Ų | 51.7 | 9% | 0.089 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -56.5 | -29.5 | 174.2 | -179.1 | 59.6 | 0 | 0 | 0 | 112.7 | L81 F247 N248 G269 D273 T274 I276 I307 P309 | L81-L271 HydrophobicContact CD2-CD2 3.85Å; F247-L271 WeakPolarHBondContact O-CB 3.47Å; F247-L271 PolarHBondContact O-N 3.47Å; N248-L271 HydrophobicContact CB-CD2 4.33Å; N248-L271 WeakPolarHBondContact OD1-CD2 3.49Å; G269-L271 PolarHBondContact O-N 2.97Å; L271-D273 PolarHBondContact O-N 3.27Å; L271-D273 VanDerWaalsContact O-N 3.12Å; L271-T274 PolarHBondContact O-N 3.28Å; L271-I276 HydrophobicContact CD1-CD1 3.81Å; L271-I276 HydrophobicContact CD1-CG1 4.09Å; L271-I307 HydrophobicContact CD1-CG2 3.79Å; L271-I307 HydrophobicContact CD2-CG2 4.3Å; L271-P309 WeakPolarHBondContact O-CG 3.37Å |
| 272 | N | 90.9 | Very high | 77 | Confident | 25 Ų | 25 | 42.8 Ų | 42.8 | 13% | 0.134 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -63.8 | -18 | 179.9 | -164.1 | 51.5 | 0 | 0 | 0 | 113.3 | N268 G269 F270 P309 W311 | N268-N272 HydrophobicContact CB-CB 3.57Å; G269-N272 WeakPolarHBondContact O-CB 3.49Å; G269-N272 PolarHBondContact O-N 3.2Å; F270-N272 PolarHBondContact O-N 3.24Å; N272-P309 WeakPolarHBondContact O-CB 3.19Å; N272-W311 PolarHBondContact O-NE1 3.15Å |
| 273 | D | 90.5 | Very high | 78.7 | Confident | 46 Ų | 46 | 35.9 Ų | 35.9 | 25% | 0.246 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -123.5 | 19.2 | 176.4 | -49.9 | -64.1 | 0 | 0 | 0 | 112.3 | N52 R212 F270 L271 | N52-D273 WeakPolarHBondContact CB-O 3.46Å; N52-D273 PolarHBondContact N-O 3.35Å; N52-D273 PolarHBondContact ND2-O 3.41Å; R212-D273 IonicContact CZ-OD2 3.91Å; R212-D273 IonicContact NH1-OD2 3.23Å; R212-D273 PolarHBondContact NH1-OD2 2.68Å; R212-D273 IonicContact NH2-OD2 3.76Å; R212-D273 PolarHBondContact NH2-OD2 3.3Å; F270-D273 PolarHBondContact O-N 3.47Å; F270-D273 VanDerWaalsContact O-N 3.16Å; L271-D273 PolarHBondContact O-N 3.27Å; L271-D273 VanDerWaalsContact O-N 3.12Å |
| 274 | T | 94.5 | Very high | 80.5 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 130.3 | -169.6 | -52.4 | 0 | 0 | 0 | 0 | 111.7 | N52 F207 F270 L271 I276 P309 | N52-T274 HydrophobicContact CB-CG2 3.94Å; N52-T274 WeakPolarHBondContact CB-OG1 3.36Å; N52-T274 PolarHBondContact ND2-OG1 2.71Å; N52-T274 CarbonylContact O-C 3.43Å; N52-T274 WeakPolarHBondContact O-CA 3.42Å; F207-T274 HydrophobicContact CE1-CG2 4.23Å; F207-T274 HydrophobicContact CZ-CG2 4.26Å; F270-T274 WeakPolarHBondContact O-CB 3.32Å; F270-T274 PolarHBondContact O-N 3.29Å; F270-T274 PolarHBondContact O-OG1 3.3Å; L271-T274 PolarHBondContact O-N 3.28Å; T274-I276 HydrophobicContact CG2-CG1 3.78Å; T274-P309 WeakPolarHBondContact O-CD 3.27Å |
| 275 | V | 96.1 | Very high | 81.6 | Confident | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 117.3 | 159.9 | -178.8 | 0 | 0 | 0 | 0 | 108 | L51 N52 Y54 V277 I306 I307 L308 I343 | L51-V275 HydrophobicContact CB-CG2 4.08Å; L51-V275 HydrophobicContact CD1-CG2 3.59Å; L51-V275 HydrophobicContact CG-CG2 4.33Å; N52-V275 PolarHBondContact O-N 2.99Å; Y54-V275 PolarHBondContact N-O 3.25Å; V275-V277 HydrophobicContact CG1-CG2 4.31Å; V275-I306 HydrophobicContact CG1-CG2 4.35Å; V275-I307 WeakPolarHBondContact CA-O 3.43Å; V275-L308 HydrophobicContact CB-CD2 4.21Å; V275-L308 HydrophobicContact CG1-CD2 3.76Å; V275-L308 HydrophobicContact CG2-CD2 3.61Å; V275-I343 HydrophobicContact CB-CD1 4.42Å; V275-I343 HydrophobicContact CG1-CD1 4.36Å; V275-I343 HydrophobicContact CG2-CD1 3.95Å |
| 276 | I | 97.9 | Very high | 82.5 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 123.3 | 174.6 | -54 | -179.2 | 0 | 0 | 0 | 108.7 | Y54 I56 L244 F247 L271 T274 V278 I307 | Y54-I276 HydrophobicContact CD1-CG1 4.4Å; Y54-I276 HydrophobicContact CD1-CG2 4.27Å; Y54-I276 CarbonylContact O-C 3.54Å; Y54-I276 VanDerWaalsContact O-CA 3.31Å; Y54-I276 WeakPolarHBondContact O-CA 3.4Å; I56-I276 HydrophobicContact CD1-CG2 4.03Å; I56-I276 HydrophobicContact CG1-CG2 4.29Å; L244-I276 HydrophobicContact CD2-CD1 4.37Å; L244-I276 HydrophobicContact CD2-CG2 4.21Å; F247-I276 HydrophobicContact CB-CD1 3.94Å; F247-I276 HydrophobicContact CD1-CD1 3.89Å; F247-I276 HydrophobicContact CG-CD1 3.91Å; L271-I276 HydrophobicContact CD1-CD1 3.81Å; L271-I276 HydrophobicContact CD1-CG1 4.09Å; T274-I276 HydrophobicContact CG2-CG1 3.78Å; I276-V278 HydrophobicContact CG2-CG2 4.2Å; I276-I307 HydrophobicContact CB-CB 4.19Å; I276-I307 HydrophobicContact CB-CD1 4.22Å; I276-I307 HydrophobicContact CG2-CD1 4.21Å; I276-I307 PolarHBondContact N-O 3.28Å; I276-I307 PolarHBondContact O-N 3.1Å |
| 277 | V | 98.5 | Very high | 83.1 | Confident | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.012 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 118.8 | 173.4 | -179.2 | 0 | 0 | 0 | 0 | 107.8 | Y54 I55 I56 V275 M279 L304 A305 L336 | Y54-V277 PolarHBondContact O-N 2.96Å; I55-V277 CarbonylContact C-O 3.57Å; I55-V277 WeakPolarHBondContact CA-O 3.36Å; I55-V277 HydrophobicContact CG1-CB 4.17Å; I55-V277 HydrophobicContact CG1-CG2 4.47Å; I55-V277 HydrophobicContact CG2-CB 4.4Å; I55-V277 HydrophobicContact CG2-CG1 4.48Å; I56-V277 PolarHBondContact N-O 3.24Å; V275-V277 HydrophobicContact CG1-CG2 4.31Å; V277-M279 HydrophobicContact CG1-CB 4.32Å; V277-L304 HydrophobicContact CG1-CD1 3.54Å; V277-A305 WeakPolarHBondContact CA-O 3.47Å; V277-L336 HydrophobicContact CG1-CD1 4.19Å; V277-L336 HydrophobicContact CG1-CD2 4.09Å; V277-L336 HydrophobicContact CG2-CD1 4.27Å |
| 278 | V | 98.3 | Very high | 83.2 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 119.4 | 172.2 | -174.2 | 0 | 0 | 0 | 0 | 107.5 | I56 F58 F66 I77 I276 F303 L304 A305 I307 | I56-V278 HydrophobicContact CD1-CG2 4.3Å; I56-V278 CarbonylContact O-C 3.53Å; I56-V278 WeakPolarHBondContact O-CA 3.36Å; F58-V278 HydrophobicContact CD2-CG1 4.49Å; F58-V278 HydrophobicContact CE2-CG1 4.04Å; F66-V278 HydrophobicContact CE2-CG1 4.36Å; F66-V278 HydrophobicContact CZ-CG1 4.2Å; I77-V278 HydrophobicContact CD1-CB 4.23Å; I77-V278 HydrophobicContact CD1-CG1 4.24Å; I77-V278 HydrophobicContact CD1-CG2 4.03Å; I276-V278 HydrophobicContact CG2-CG2 4.2Å; V278-F303 HydrophobicContact CB-CE1 4.12Å; V278-F303 HydrophobicContact CG1-CD1 4.22Å; V278-F303 HydrophobicContact CG1-CE1 3.86Å; V278-L304 CarbonylContact O-C 3.49Å; V278-L304 WeakPolarHBondContact O-CA 3.49Å; V278-A305 HydrophobicContact CB-CB 4.4Å; V278-A305 PolarHBondContact N-O 3.05Å; V278-A305 PolarHBondContact O-N 3.11Å; V278-I307 HydrophobicContact CG2-CD1 4.22Å |
| 279 | M | 96.9 | Very high | 82.6 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 167.6 | -171.1 | 70.9 | 176 | -67.3 | 0 | 0 | 113.8 | I55 I56 G57 F58 T103 V277 F303 L304 L336 | I55-M279 HydrophobicContact CG2-CG 4.05Å; I55-M279 HydrophobicContact CG2-SD 3.67Å; I56-M279 PolarHBondContact O-N 3.12Å; G57-M279 CarbonylContact C-O 3.53Å; G57-M279 VanDerWaalsContact CA-O 3.26Å; G57-M279 WeakPolarHBondContact CA-O 3.2Å; F58-M279 PolarHBondContact N-O 2.84Å; T103-M279 HydrophobicContact CG2-CE 4.38Å; T103-M279 HydrophobicContact CG2-SD 4.2Å; V277-M279 HydrophobicContact CG1-CB 4.32Å; M279-F303 CarbonylContact C-O 3.58Å; M279-F303 VanDerWaalsContact CA-O 3.26Å; M279-F303 WeakPolarHBondContact CA-O 3.49Å; M279-L304 HydrophobicContact CB-CD1 3.73Å; M279-L336 HydrophobicContact CE-CD2 4.29Å; M279-L336 HydrophobicContact SD-CD2 3.93Å |
| 280 | S | 94 | Very high | 81.4 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 154.3 | 163.7 | -65.7 | 0 | 0 | 0 | 0 | 109.4 | F58 V61 P302 F303 | F58-S280 VanDerWaalsContact O-CA 3.24Å; F58-S280 WeakPolarHBondContact O-CA 3.32Å; F58-S280 WeakPolarHBondContact O-CB 3.34Å; F58-S280 PolarHBondContact O-OG 2.84Å; V61-S280 WeakPolarHBondContact CB-OG 3.37Å; V61-S280 WeakPolarHBondContact O-CB 3.23Å; V61-S280 PolarHBondContact O-OG 3.02Å; S280-P302 WeakPolarHBondContact O-CB 3.23Å; S280-F303 PolarHBondContact N-O 2.77Å |
| 281 | D | 89 | Confident | 79.7 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -77.3 | -40 | 178.8 | 65 | -42.1 | 0 | 0 | 0 | 112.1 | D59 T60 I96 A99 F221 | D59-D281 WeakPolarHBondContact CA-OD1 3.49Å; T60-D281 PolarHBondContact N-OD1 3.27Å; I96-D281 WeakPolarHBondContact CA-OD2 2.97Å; I96-D281 HydrophobicContact CB-CB 4.31Å; I96-D281 WeakPolarHBondContact CB-OD2 3.31Å; I96-D281 HydrophobicContact CG1-CB 4.08Å; I96-D281 PolarHBondContact N-OD2 3.23Å; I96-D281 VanDerWaalsContact N-OD2 3.14Å; A99-D281 HydrophobicContact CB-CB 3.89Å; A99-D281 WeakPolarHBondContact CB-O 3.17Å; F221-D281 HydrophobicContact CZ-CB 3.85Å |
| 282 | Q | 84.6 | Confident | 78.4 | Confident | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.019 | 15% | 0.147 | C | C | . | . | trans | -160.8 | 178.5 | 178.5 | 63.2 | -176.8 | 8.2 | 0 | 0 | 111 | T60 V61 V91 D94 | T60-Q282 CarbonylContact C-O 3.58Å; T60-Q282 WeakPolarHBondContact CA-O 3.47Å; T60-Q282 HydrophobicContact CG2-CG 4.09Å; V61-Q282 CarbonylContact C-O 3.55Å; V61-Q282 PolarHBondContact N-O 3.07Å; V91-Q282 HydrophobicContact CG1-CB 3.8Å; D94-Q282 PolarHBondContact OD1-OE1 2.94Å | ||
| 283 | G | 79.7 | Confident | 77.2 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -84.4 | -169.9 | 168 | 0 | 0 | 0 | 0 | 0 | 113.7 | T60 R285 E298 E299 | T60-G283 WeakPolarHBondContact CA-O 3.43Å; T60-G283 WeakPolarHBondContact CB-O 3.43Å; T60-G283 CarbonylContact O-C 3.46Å; G283-R285 PolarHBondContact O-N 2.95Å; G283-R285 VanDerWaalsContact O-N 3.11Å; G283-E298 WeakPolarHBondContact CA-O 3.37Å; G283-E299 PolarHBondContact N-O 2.79Å |
| 284 | S | 72.5 | Confident | 76.3 | Confident | 10 Ų | 10 | 30.5 Ų | 30.5 | 7% | 0.07 | 17% | 0.171 | C | C | . | . | trans | -65 | 114.6 | -177.6 | -171.2 | 0 | 0 | 0 | 0 | 111.7 | T60 N230 F286 | T60-S284 PolarHBondContact O-N 3.19Å; N230-S284 PolarHBondContact ND2-OG 2.86Å; N230-S284 VanDerWaalsContact ND2-OG 3.14Å; N230-S284 PolarHBondContact OD1-OG 2.8Å; N230-S284 VanDerWaalsContact OD1-OG 3.12Å; S284-F286 PolarHBondContact OG-O 2.91Å | ||
| 285 | R | 62.1 | Low | 75.2 | Confident | 57 Ų | 57 | 32 Ų | 32 | 22% | 0.215 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -74 | -36.2 | 178.8 | -171.4 | 179.5 | -177.1 | -177.7 | 3.5 | 113 | D94 G283 R290 | D94-R285 VanDerWaalsContact OD1-CD 3.29Å; D94-R285 WeakPolarHBondContact OD1-CD 3.13Å; D94-R285 IonicContact OD1-CZ 2.77Å; D94-R285 VanDerWaalsContact OD1-CZ 3.29Å; D94-R285 IonicContact OD1-NE 3.4Å; D94-R285 PolarHBondContact OD1-NE 3.25Å; D94-R285 IonicContact OD1-NH1 2.91Å; D94-R285 IonicContact OD1-NH2 2.72Å; D94-R285 IonicContact OD2-CZ 2.96Å; D94-R285 IonicContact OD2-NE 3.15Å; D94-R285 PolarHBondContact OD2-NE 3.26Å; D94-R285 VanDerWaalsContact OD2-NE 3.08Å; D94-R285 IonicContact OD2-NH2 3.42Å; D94-R285 PolarHBondContact OD2-NH2 2.92Å; G283-R285 PolarHBondContact O-N 2.95Å; G283-R285 VanDerWaalsContact O-N 3.11Å; R285-R290 PolarHBondContact O-NH1 3.45Å |
| 286 | F | 58.9 | Low | 74.1 | Confident | 60 Ų | 60 | 32.2 Ų | 32.2 | 26% | 0.263 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -129.3 | 114.7 | -179.7 | -55.6 | -61.8 | 0 | 0 | 0 | 109.5 | S284 F503 Y504 | S284-F286 PolarHBondContact OG-O 2.91Å; F286-F503 HydrophobicContact CD2-CD2 4.41Å; F286-F503 HydrophobicContact CG-CD2 4.49Å; F286-Y504 HydrophobicContact CE1-CE1 4.46Å; F286-Y504 HydrophobicContact CZ-CD1 4.46Å; F286-Y504 AromaticContact CZ-CE1 3.91Å; F286-Y504 HydrophobicContact CZ-CE1 3.91Å |
| 287 | S | 56.9 | Low | 73.2 | Confident | 22 Ų | 22 | 36 Ų | 36 | 15% | 0.154 | 20% | 0.199 | C | C | . | . | trans | -146.1 | 156.2 | 166.2 | 113.5 | 0 | 0 | 0 | 0 | 107.6 | T289 R290 E295 | S287-T289 PolarHBondContact O-N 3.13Å; S287-T289 VanDerWaalsContact O-N 3.1Å; S287-T289 WeakPolarHBondContact OG-CA 3.27Å; S287-T289 PolarHBondContact OG-N 3.06Å; S287-T289 PolarHBondContact OG-OG1 3.28Å; S287-R290 WeakPolarHBondContact O-CB 3.42Å; S287-R290 PolarHBondContact O-N 3.31Å; S287-R290 PolarHBondContact OG-N 3.28Å; S287-R290 VanDerWaalsContact OG-N 3.11Å; S287-E295 VanDerWaalsContact CB-OE2 3.31Å; S287-E295 WeakPolarHBondContact CB-OE2 3.34Å; S287-E295 PolarHBondContact OG-OE1 2.99Å; S287-E295 VanDerWaalsContact OG-OE1 3.06Å; S287-E295 PolarHBondContact OG-OE2 3.24Å | ||
| 288 | S | 51.5 | Low | 72.5 | Confident | 121 Ų | 121 | 36.8 Ų | 36.8 | 85% | 0.846 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -23.4 | 172.2 | 49.1 | 0 | 0 | 0 | 0 | 112.9 | ||
| 289 | T | 53.4 | Low | 71.8 | Confident | 67 Ų | 67 | 36.8 Ų | 36.8 | 41% | 0.411 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 1.7 | -178.9 | 31.9 | 0 | 0 | 0 | 0 | 112.9 | S287 P291 T292 E295 | S287-T289 PolarHBondContact O-N 3.13Å; S287-T289 VanDerWaalsContact O-N 3.1Å; S287-T289 WeakPolarHBondContact OG-CA 3.27Å; S287-T289 PolarHBondContact OG-N 3.06Å; S287-T289 PolarHBondContact OG-OG1 3.28Å; T289-P291 VanDerWaalsContact C-N 3.27Å; T289-T292 WeakPolarHBondContact O-CB 3.32Å; T289-T292 VanDerWaalsContact O-CG2 3.27Å; T289-T292 WeakPolarHBondContact O-CG2 3.36Å; T289-T292 PolarHBondContact O-N 3.47Å; T289-T292 PolarHBondContact O-OG1 3.39Å; T289-E295 WeakPolarHBondContact CB-OE1 3.43Å; T289-E295 WeakPolarHBondContact O-CG 3.18Å; T289-E295 VanDerWaalsContact OG1-CD 3.31Å; T289-E295 PolarHBondContact OG1-OE1 2.86Å |
| 290 | R | 58.2 | Low | 71.3 | Confident | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -31 | 178.4 | -170.1 | -91.8 | 171.2 | 110.9 | -8.1 | 113.7 | R285 S287 T292 E295 E299 V501 | R285-R290 PolarHBondContact O-NH1 3.45Å; S287-R290 WeakPolarHBondContact O-CB 3.42Å; S287-R290 PolarHBondContact O-N 3.31Å; S287-R290 PolarHBondContact OG-N 3.28Å; S287-R290 VanDerWaalsContact OG-N 3.11Å; R290-T292 PolarHBondContact O-N 2.95Å; R290-E295 WeakPolarHBondContact CA-OE2 3.18Å; R290-E295 WeakPolarHBondContact CB-OE2 3.35Å; R290-E295 PolarHBondContact N-OE2 3.14Å; R290-E299 IonicContact CZ-OE1 2.73Å; R290-E299 IonicContact CZ-OE2 3.75Å; R290-E299 IonicContact NE-OE2 3.36Å; R290-E299 PolarHBondContact NE-OE2 3.47Å; R290-E299 IonicContact NH1-OE1 2.72Å; R290-E299 VanDerWaalsContact NH2-CD 3.33Å; R290-E299 IonicContact NH2-OE1 3.7Å; R290-E299 PolarHBondContact NH2-OE1 3.31Å; R290-E299 VanDerWaalsContact NH2-OE1 3.08Å; R290-E299 IonicContact NH2-OE2 2.67Å; R290-E299 PolarHBondContact NH2-OE2 3.48Å; R290-V501 VanDerWaalsContact CZ-CB 3.44Å; R290-V501 VanDerWaalsContact NH1-CG1 3.34Å |
| 291 | P | 56.4 | Low | 71.2 | Confident | 45 Ų | 45 | 38.6 Ų | 38.6 | 29% | 0.292 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -9.7 | 172 | -26.4 | 36.5 | 0 | 0 | 0 | 115 | T289 K468 | T289-P291 VanDerWaalsContact C-N 3.27Å; P291-K468 PolarHBondContact O-NZ 3.38Å |
| 292 | T | 64.5 | Low | 71.4 | Confident | 62 Ų | 62 | 38.6 Ų | 38.6 | 38% | 0.38 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -80.7 | 154 | 177.8 | 68.3 | 0 | 0 | 0 | 0 | 113.1 | T289 R290 Q294 E295 T296 | T289-T292 WeakPolarHBondContact O-CB 3.32Å; T289-T292 VanDerWaalsContact O-CG2 3.27Å; T289-T292 WeakPolarHBondContact O-CG2 3.36Å; T289-T292 PolarHBondContact O-N 3.47Å; T289-T292 PolarHBondContact O-OG1 3.39Å; R290-T292 PolarHBondContact O-N 2.95Å; T292-Q294 VanDerWaalsContact C-N 3.28Å; T292-Q294 PolarHBondContact O-N 3.44Å; T292-E295 PolarHBondContact O-N 3.34Å; T292-E295 PolarHBondContact OG1-N 2.64Å; T292-T296 PolarHBondContact O-N 3.07Å; T292-T296 VanDerWaalsContact O-N 3.09Å; T292-T296 PolarHBondContact O-OG1 2.99Å |
| 293 | I | 66.1 | Low | 71.9 | Confident | 88 Ų | 88 | 38.4 Ų | 38.4 | 45% | 0.451 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60 | -40.1 | 175.5 | -64.3 | 169.6 | 0 | 0 | 0 | 111.1 | E295 T296 L297 E428 | I293-E295 PolarHBondContact O-N 3.31Å; I293-T296 WeakPolarHBondContact O-CB 3.17Å; I293-T296 PolarHBondContact O-N 3.32Å; I293-L297 HydrophobicContact CG2-CD1 4.48Å; I293-L297 PolarHBondContact O-N 3.2Å; I293-L297 VanDerWaalsContact O-N 3.08Å; I293-E428 WeakPolarHBondContact CG1-OE1 3.25Å |
| 294 | Q | 71.8 | Confident | 72.8 | Confident | 96 Ų | 96 | 38.4 Ų | 38.4 | 45% | 0.449 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.8 | -48.8 | 179 | 178.8 | 61.8 | 28 | 0 | 0 | 111.4 | T292 T296 L297 E298 | T292-Q294 VanDerWaalsContact C-N 3.28Å; T292-Q294 PolarHBondContact O-N 3.44Å; Q294-T296 VanDerWaalsContact C-N 3.32Å; Q294-T296 PolarHBondContact O-N 3.1Å; Q294-L297 PolarHBondContact O-N 2.77Å; Q294-E298 PolarHBondContact NE2-OE1 2.95Å; Q294-E298 WeakPolarHBondContact O-CG 3.5Å; Q294-E298 PolarHBondContact O-N 3.37Å |
| 295 | E | 71.3 | Confident | 74 | Confident | 32 Ų | 32 | 38 Ų | 38 | 15% | 0.15 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.8 | -29 | -179.4 | -71 | -153.7 | -178.7 | 0 | 0 | 113.4 | S287 T289 R290 T292 I293 L297 E298 E299 | S287-E295 VanDerWaalsContact CB-OE2 3.31Å; S287-E295 WeakPolarHBondContact CB-OE2 3.34Å; S287-E295 PolarHBondContact OG-OE1 2.99Å; S287-E295 VanDerWaalsContact OG-OE1 3.06Å; S287-E295 PolarHBondContact OG-OE2 3.24Å; T289-E295 WeakPolarHBondContact CB-OE1 3.43Å; T289-E295 WeakPolarHBondContact O-CG 3.18Å; T289-E295 VanDerWaalsContact OG1-CD 3.31Å; T289-E295 PolarHBondContact OG1-OE1 2.86Å; R290-E295 WeakPolarHBondContact CA-OE2 3.18Å; R290-E295 WeakPolarHBondContact CB-OE2 3.35Å; R290-E295 PolarHBondContact N-OE2 3.14Å; T292-E295 PolarHBondContact O-N 3.34Å; T292-E295 PolarHBondContact OG1-N 2.64Å; I293-E295 PolarHBondContact O-N 3.31Å; E295-L297 VanDerWaalsContact C-N 3.28Å; E295-L297 PolarHBondContact O-N 2.83Å; E295-E298 PolarHBondContact O-N 3.14Å; E295-E299 WeakPolarHBondContact O-CB 3.02Å; E295-E299 PolarHBondContact O-N 2.82Å |
| 296 | T | 72.8 | Confident | 75.8 | Confident | 6 Ų | 6 | 35.4 Ų | 35.4 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.6 | -40.5 | 170 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | T292 I293 Q294 R300 K468 | T292-T296 PolarHBondContact O-N 3.07Å; T292-T296 VanDerWaalsContact O-N 3.09Å; T292-T296 PolarHBondContact O-OG1 2.99Å; I293-T296 WeakPolarHBondContact O-CB 3.17Å; I293-T296 PolarHBondContact O-N 3.32Å; Q294-T296 VanDerWaalsContact C-N 3.32Å; Q294-T296 PolarHBondContact O-N 3.1Å; T296-R300 WeakPolarHBondContact O-CD 3.34Å; T296-R300 VanDerWaalsContact O-CG 3.29Å; T296-R300 WeakPolarHBondContact O-CG 3.47Å; T296-R300 PolarHBondContact O-NE 3.35Å; T296-K468 PolarHBondContact OG1-NZ 3.42Å |
| 297 | L | 79.7 | Confident | 77.6 | Confident | 80 Ų | 80 | 32.5 Ų | 32.5 | 42% | 0.419 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -71.5 | -41.7 | 175.7 | -68.3 | 173.2 | 0 | 0 | 0 | 111.5 | I293 Q294 E295 E299 R300 N301 | I293-L297 HydrophobicContact CG2-CD1 4.48Å; I293-L297 PolarHBondContact O-N 3.2Å; I293-L297 VanDerWaalsContact O-N 3.08Å; Q294-L297 PolarHBondContact O-N 2.77Å; E295-L297 VanDerWaalsContact C-N 3.28Å; E295-L297 PolarHBondContact O-N 2.83Å; L297-E299 PolarHBondContact O-N 3.46Å; L297-R300 PolarHBondContact O-N 3.24Å; L297-R300 VanDerWaalsContact O-N 3.15Å; L297-N301 PolarHBondContact O-N 3.38Å |
| 298 | E | 83.1 | Confident | 79.4 | Confident | 19 Ų | 19 | 31.7 Ų | 31.7 | 9% | 0.089 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.2 | -35.7 | 178.6 | -73.3 | -164.1 | -160.8 | 0 | 0 | 113.1 | S62 L64 R68 G283 Q294 E295 R300 N301 | S62-E298 WeakPolarHBondContact CB-O 3.26Å; S62-E298 PolarHBondContact OG-OE2 3.46Å; L64-E298 HydrophobicContact CB-CG 4.43Å; L64-E298 HydrophobicContact CD1-CG 4.09Å; R68-E298 IonicContact CZ-OE1 3.29Å; R68-E298 IonicContact CZ-OE2 2.95Å; R68-E298 IonicContact NH1-OE1 3.08Å; R68-E298 PolarHBondContact NH1-OE1 3.1Å; R68-E298 IonicContact NH1-OE2 3.57Å; R68-E298 VanDerWaalsContact NH2-CD 3.32Å; R68-E298 IonicContact NH2-OE1 3.08Å; R68-E298 PolarHBondContact NH2-OE1 3.27Å; R68-E298 VanDerWaalsContact NH2-OE1 3.1Å; R68-E298 IonicContact NH2-OE2 3.89Å; R68-E298 PolarHBondContact NH2-OE2 2.85Å; G283-E298 WeakPolarHBondContact CA-O 3.37Å; Q294-E298 PolarHBondContact NE2-OE1 2.95Å; Q294-E298 WeakPolarHBondContact O-CG 3.5Å; Q294-E298 PolarHBondContact O-N 3.37Å; E295-E298 PolarHBondContact O-N 3.14Å; E298-R300 PolarHBondContact O-N 3.28Å; E298-N301 PolarHBondContact O-N 2.49Å |
| 299 | E | 83.8 | Confident | 81.4 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -53.8 | -37.5 | 172.1 | -177 | 179.9 | -169.1 | 0 | 0 | 111.5 | G283 R290 E295 L297 W380 | G283-E299 PolarHBondContact N-O 2.79Å; R290-E299 IonicContact CZ-OE1 2.73Å; R290-E299 IonicContact CZ-OE2 3.75Å; R290-E299 IonicContact NE-OE2 3.36Å; R290-E299 PolarHBondContact NE-OE2 3.47Å; R290-E299 IonicContact NH1-OE1 2.72Å; R290-E299 VanDerWaalsContact NH2-CD 3.33Å; R290-E299 IonicContact NH2-OE1 3.7Å; R290-E299 PolarHBondContact NH2-OE1 3.31Å; R290-E299 VanDerWaalsContact NH2-OE1 3.08Å; R290-E299 IonicContact NH2-OE2 2.67Å; R290-E299 PolarHBondContact NH2-OE2 3.48Å; E295-E299 WeakPolarHBondContact O-CB 3.02Å; E295-E299 PolarHBondContact O-N 2.82Å; L297-E299 PolarHBondContact O-N 3.46Å; E299-W380 HydrophobicContact CG-CZ3 4.29Å |
| 300 | R | 87.4 | Confident | 83.1 | Confident | 6 Ų | 6 | 26 Ų | 26 | 2% | 0.023 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -86.8 | -14.3 | -173.1 | -60.6 | 172.7 | -176.6 | -162.6 | -6.8 | 113.7 | N90 V91 T296 L297 E298 P302 H379 W380 K466 E479 | N90-R300 WeakPolarHBondContact CA-O 3.4Å; N90-R300 PolarHBondContact OD1-O 3.2Å; V91-R300 HydrophobicContact CG2-CB 4.11Å; V91-R300 HydrophobicContact CG2-CG 4.33Å; V91-R300 PolarHBondContact N-O 2.88Å; T296-R300 WeakPolarHBondContact O-CD 3.34Å; T296-R300 VanDerWaalsContact O-CG 3.29Å; T296-R300 WeakPolarHBondContact O-CG 3.47Å; T296-R300 PolarHBondContact O-NE 3.35Å; L297-R300 PolarHBondContact O-N 3.24Å; L297-R300 VanDerWaalsContact O-N 3.15Å; E298-R300 PolarHBondContact O-N 3.28Å; R300-P302 WeakPolarHBondContact O-CD 3.24Å; R300-H379 PolarHBondContact NH1-O 3.35Å; R300-H379 VanDerWaalsContact NH1-O 3.1Å; R300-H379 PolarHBondContact NH2-O 3.15Å; R300-W380 HydrophobicContact CG-CE3 3.9Å; R300-W380 HydrophobicContact CG-CZ3 4.14Å; R300-K466 VanDerWaalsContact NH2-NZ 3.17Å; R300-E479 IonicContact NH2-OE1 3.84Å |
| 301 | N | 90.4 | Very high | 84.6 | Confident | 33 Ų | 33 | 29.5 Ų | 29.5 | 18% | 0.176 | 16% | 0.156 | C | C | . | . | trans | -120.9 | 73 | -168.1 | -76.2 | -152.9 | 0 | 0 | 0 | 109.8 | R63 N90 L297 E298 | R63-N301 WeakPolarHBondContact CB-O 3.29Å; R63-N301 PolarHBondContact N-O 3.23Å; N90-N301 PolarHBondContact OD1-ND2 3.11Å; L297-N301 PolarHBondContact O-N 3.38Å; E298-N301 PolarHBondContact O-N 2.49Å | ||
| 302 | P | 94.2 | Very high | 86.3 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | B | Isolated β-bridge | trans | -66.4 | 160.3 | 177.3 | 22.1 | -27.7 | 0 | 0 | 0 | 111.9 | Y89 V91 S280 R300 | Y89-P302 HydrophobicContact CD1-CB 4.44Å; Y89-P302 HydrophobicContact CD1-CG 3.69Å; Y89-P302 HydrophobicContact CE1-CB 4.45Å; Y89-P302 HydrophobicContact CE1-CG 3.69Å; V91-P302 HydrophobicContact CG1-CG 3.84Å; S280-P302 WeakPolarHBondContact O-CB 3.23Å; R300-P302 WeakPolarHBondContact O-CD 3.24Å |
| 303 | F | 95.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -70 | 138 | 172.1 | -173.9 | -102 | 0 | 0 | 0 | 110.9 | V61 R63 F66 Y74 I77 I85 V278 M279 S280 A305 | V61-F303 PolarHBondContact O-N 3.33Å; R63-F303 HydrophobicContact CG-CD2 4.32Å; F66-F303 HydrophobicContact CB-CB 3.88Å; F66-F303 HydrophobicContact CB-CD2 3.77Å; F66-F303 HydrophobicContact CB-CE2 4.5Å; F66-F303 HydrophobicContact CB-CG 3.86Å; F66-F303 HydrophobicContact CD1-CD1 4.04Å; F66-F303 AromaticContact CD1-CD2 3.6Å; F66-F303 HydrophobicContact CD1-CD2 3.6Å; F66-F303 AromaticContact CD1-CE1 3.94Å; F66-F303 HydrophobicContact CD1-CE1 3.94Å; F66-F303 AromaticContact CD1-CE2 3.51Å; F66-F303 HydrophobicContact CD1-CE2 3.51Å; F66-F303 AromaticContact CD1-CG 3.87Å; F66-F303 HydrophobicContact CD1-CG 3.87Å; F66-F303 AromaticContact CD1-CZ 3.67Å; F66-F303 HydrophobicContact CD1-CZ 3.67Å; F66-F303 HydrophobicContact CD2-CB 3.99Å; F66-F303 AromaticContact CD2-CD1 3.75Å; F66-F303 HydrophobicContact CD2-CD1 3.75Å; F66-F303 HydrophobicContact CD2-CD2 4.3Å; F66-F303 HydrophobicContact CD2-CE1 4.28Å; F66-F303 AromaticContact CD2-CG 3.75Å; F66-F303 HydrophobicContact CD2-CG 3.75Å; F66-F303 HydrophobicContact CE1-CD1 4.06Å; F66-F303 HydrophobicContact CE1-CD2 4.27Å; F66-F303 AromaticContact CE1-CE1 3.61Å; F66-F303 HydrophobicContact CE1-CE1 3.61Å; F66-F303 AromaticContact CE1-CE2 3.86Å; F66-F303 HydrophobicContact CE1-CE2 3.86Å; F66-F303 HydrophobicContact CE1-CG 4.36Å; F66-F303 AromaticContact CE1-CZ 3.5Å; F66-F303 HydrophobicContact CE1-CZ 3.5Å; F66-F303 VanDerWaalsContact CE1-CZ 3.5Å; F66-F303 AromaticContact CE2-CD1 3.77Å; F66-F303 HydrophobicContact CE2-CD1 3.77Å; F66-F303 AromaticContact CE2-CE1 3.98Å; F66-F303 HydrophobicContact CE2-CE1 3.98Å; F66-F303 HydrophobicContact CE2-CG 4.25Å; F66-F303 HydrophobicContact CG-CB 3.97Å; F66-F303 AromaticContact CG-CD1 3.89Å; F66-F303 HydrophobicContact CG-CD1 3.89Å; F66-F303 AromaticContact CG-CD2 3.62Å; F66-F303 HydrophobicContact CG-CD2 3.62Å; F66-F303 HydrophobicContact CG-CE1 4.27Å; F66-F303 HydrophobicContact CG-CE2 4.04Å; F66-F303 AromaticContact CG-CG 3.54Å; F66-F303 HydrophobicContact CG-CG 3.54Å; F66-F303 HydrophobicContact CG-CZ 4.33Å; F66-F303 AromaticContact CZ-CD1 3.92Å; F66-F303 HydrophobicContact CZ-CD1 3.92Å; F66-F303 AromaticContact CZ-CE1 3.63Å; F66-F303 HydrophobicContact CZ-CE1 3.63Å; F66-F303 HydrophobicContact CZ-CZ 4.03Å; Y74-F303 AromaticContact CD2-CE2 3.76Å; Y74-F303 HydrophobicContact CD2-CE2 3.76Å; Y74-F303 HydrophobicContact CD2-CZ 4.25Å; Y74-F303 AromaticContact CE2-CE2 4Å; Y74-F303 HydrophobicContact CE2-CE2 4Å; I77-F303 HydrophobicContact CD1-CE1 4.32Å; I77-F303 HydrophobicContact CD1-CZ 4.31Å; I85-F303 HydrophobicContact CD1-CE2 3.93Å; I85-F303 HydrophobicContact CD1-CZ 3.73Å; I85-F303 HydrophobicContact CG2-CE2 4.25Å; V278-F303 HydrophobicContact CB-CE1 4.12Å; V278-F303 HydrophobicContact CG1-CD1 4.22Å; V278-F303 HydrophobicContact CG1-CE1 3.86Å; M279-F303 CarbonylContact C-O 3.58Å; M279-F303 VanDerWaalsContact CA-O 3.26Å; M279-F303 WeakPolarHBondContact CA-O 3.49Å; S280-F303 PolarHBondContact N-O 2.77Å; F303-A305 HydrophobicContact CE1-CB 3.73Å; F303-A305 HydrophobicContact CZ-CB 3.75Å | ||
| 304 | L | 98 | Very high | 88.6 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 129.1 | 167 | 174.6 | 66.9 | 0 | 0 | 0 | 109.3 | M86 Y89 V277 V278 M279 L336 | M86-L304 HydrophobicContact CB-CB 4.06Å; M86-L304 HydrophobicContact CB-CD2 3.87Å; M86-L304 HydrophobicContact CB-CG 4.02Å; M86-L304 HydrophobicContact CG-CB 4.35Å; M86-L304 HydrophobicContact CG-CD2 3.63Å; M86-L304 HydrophobicContact CG-CG 3.78Å; M86-L304 PolarHBondContact N-O 2.49Å; Y89-L304 HydrophobicContact CD1-CB 3.62Å; Y89-L304 HydrophobicContact CD1-CD2 4.1Å; Y89-L304 HydrophobicContact CD1-CG 4.46Å; Y89-L304 HydrophobicContact CD2-CB 4.4Å; Y89-L304 HydrophobicContact CD2-CD2 3.37Å; Y89-L304 HydrophobicContact CD2-CG 4.49Å; Y89-L304 HydrophobicContact CE1-CB 4.06Å; Y89-L304 HydrophobicContact CE1-CD2 4.25Å; Y89-L304 HydrophobicContact CE2-CD2 3.5Å; Y89-L304 HydrophobicContact CG-CB 3.82Å; Y89-L304 HydrophobicContact CG-CD2 3.68Å; Y89-L304 HydrophobicContact CG-CG 4.39Å; V277-L304 HydrophobicContact CG1-CD1 3.54Å; V278-L304 CarbonylContact O-C 3.49Å; V278-L304 WeakPolarHBondContact O-CA 3.49Å; M279-L304 HydrophobicContact CB-CD1 3.73Å; L304-L336 HydrophobicContact CD1-CD2 4.14Å |
| 305 | A | 98.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 139.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | I77 T84 I85 V277 V278 F303 | I77-A305 HydrophobicContact CG2-CB 3.95Å; T84-A305 VanDerWaalsContact O-CA 3.31Å; T84-A305 WeakPolarHBondContact O-CA 3.42Å; I85-A305 HydrophobicContact CD1-CB 3.57Å; V277-A305 WeakPolarHBondContact CA-O 3.47Å; V278-A305 HydrophobicContact CB-CB 4.4Å; V278-A305 PolarHBondContact N-O 3.05Å; V278-A305 PolarHBondContact O-N 3.11Å; F303-A305 HydrophobicContact CE1-CB 3.73Å; F303-A305 HydrophobicContact CZ-CB 3.75Å |
| 306 | I | 98.1 | Very high | 90.3 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.015 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 121.7 | 176.7 | -60.5 | 177.3 | 0 | 0 | 0 | 108.9 | G83 T84 V275 L308 L323 L361 | G83-I306 WeakPolarHBondContact CA-O 3.36Å; T84-I306 PolarHBondContact N-O 3.13Å; T84-I306 PolarHBondContact O-N 2.91Å; V275-I306 HydrophobicContact CG1-CG2 4.35Å; I306-L308 HydrophobicContact CG2-CD1 4.34Å; I306-L308 HydrophobicContact CG2-CD2 4.15Å; I306-L308 HydrophobicContact CG2-CG 4.02Å; I306-L323 HydrophobicContact CD1-CD1 4.01Å; I306-L323 HydrophobicContact CG2-CD2 4.37Å; I306-L361 HydrophobicContact CD1-CD1 3.36Å |
| 307 | I | 97.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 127.9 | 179.2 | -49.9 | 161.4 | 0 | 0 | 0 | 107.4 | I77 L81 L244 L271 V275 I276 V278 | I77-I307 HydrophobicContact CG1-CD1 4.26Å; I77-I307 HydrophobicContact CG2-CD1 4.33Å; I77-I307 HydrophobicContact CG2-CG1 4.32Å; L81-I307 HydrophobicContact CB-CG2 3.89Å; L81-I307 HydrophobicContact CD1-CD1 3.79Å; L81-I307 HydrophobicContact CD1-CG2 4.35Å; L244-I307 HydrophobicContact CD2-CD1 4.39Å; L271-I307 HydrophobicContact CD1-CG2 3.79Å; L271-I307 HydrophobicContact CD2-CG2 4.3Å; V275-I307 WeakPolarHBondContact CA-O 3.43Å; I276-I307 HydrophobicContact CB-CB 4.19Å; I276-I307 HydrophobicContact CB-CD1 4.22Å; I276-I307 HydrophobicContact CG2-CD1 4.21Å; I276-I307 PolarHBondContact N-O 3.28Å; I276-I307 PolarHBondContact O-N 3.1Å; V278-I307 HydrophobicContact CG2-CD1 4.22Å |
| 308 | L | 94.9 | Very high | 91.9 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | trans | -124.8 | 151.4 | -174.4 | -63.6 | 165 | 0 | 0 | 0 | 110 | V275 I306 F312 K313 M320 L323 F362 | V275-L308 HydrophobicContact CB-CD2 4.21Å; V275-L308 HydrophobicContact CG1-CD2 3.76Å; V275-L308 HydrophobicContact CG2-CD2 3.61Å; I306-L308 HydrophobicContact CG2-CD1 4.34Å; I306-L308 HydrophobicContact CG2-CD2 4.15Å; I306-L308 HydrophobicContact CG2-CG 4.02Å; L308-F312 HydrophobicContact CB-CD1 4.2Å; L308-F312 HydrophobicContact CD1-CD1 3.93Å; L308-F312 HydrophobicContact CD1-CE1 3.97Å; L308-F312 HydrophobicContact CD2-CD1 4.18Å; L308-F312 HydrophobicContact CD2-CE1 4.28Å; L308-F312 HydrophobicContact CG-CD1 4.33Å; L308-K313 HydrophobicContact CB-CG 4.27Å; L308-K313 WeakPolarHBondContact O-CE 3.28Å; L308-M320 HydrophobicContact CD1-CE 4.26Å; L308-M320 HydrophobicContact CD1-SD 3.54Å; L308-M320 VanDerWaalsContact CD1-SD 3.54Å; L308-L323 HydrophobicContact CD1-CD2 3.75Å; L308-F362 HydrophobicContact CD1-CE1 3.98Å; L308-F362 HydrophobicContact CD1-CZ 4.45Å; L308-F362 HydrophobicContact CD2-CE1 4.48Å; L308-F362 HydrophobicContact CD2-CZ 4.15Å | ||
| 309 | P | 92.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | trans | -58.1 | 147.9 | 172 | -21.5 | 31 | 0 | 0 | 0 | 112.2 | L51 L271 N272 T274 W311 F312 K313 | L51-P309 HydrophobicContact CD2-CG 3.69Å; L271-P309 WeakPolarHBondContact O-CG 3.37Å; N272-P309 WeakPolarHBondContact O-CB 3.19Å; T274-P309 WeakPolarHBondContact O-CD 3.27Å; P309-W311 VanDerWaalsContact C-N 3.34Å; P309-W311 HydrophobicContact CB-CD2 4.48Å; P309-W311 HydrophobicContact CB-CG 4.32Å; P309-W311 PolarHBondContact O-N 2.88Å; P309-F312 HydrophobicContact CB-CB 4.28Å; P309-F312 HydrophobicContact CG-CB 4.44Å; P309-F312 WeakPolarHBondContact O-CB 3.37Å; P309-F312 PolarHBondContact O-N 3.21Å; P309-F312 VanDerWaalsContact O-N 3.13Å; P309-K313 WeakPolarHBondContact O-CG 3.42Å; P309-K313 PolarHBondContact O-N 3.02Å | ||
| 310 | S | 90.2 | Very high | 92.9 | Very high | 67 Ų | 67 | 39 Ų | 39 | 47% | 0.469 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58 | -44.2 | 180 | 56.3 | 0 | 0 | 0 | 0 | 112.4 | F312 K313 Q314 | S310-F312 VanDerWaalsContact C-N 3.31Å; S310-F312 PolarHBondContact O-N 2.94Å; S310-K313 WeakPolarHBondContact O-CB 3.43Å; S310-K313 PolarHBondContact O-N 2.78Å; S310-Q314 WeakPolarHBondContact O-CG 3.49Å; S310-Q314 PolarHBondContact O-N 2.74Å; S310-Q314 VanDerWaalsContact O-N 3.13Å |
| 311 | W | 89.9 | Confident | 93.3 | Very high | 76 Ų | 76 | 41 Ų | 41 | 29% | 0.288 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64 | -34.4 | 177.8 | 67.4 | -98.9 | 0 | 0 | 0 | 112.4 | V49 L51 N272 P309 K313 Q314 L315 | V49-W311 HydrophobicContact CG1-CH2 3.54Å; V49-W311 HydrophobicContact CG1-CZ3 4.03Å; L51-W311 HydrophobicContact CD2-CH2 3.96Å; L51-W311 HydrophobicContact CD2-CZ2 3.47Å; L51-W311 VanDerWaalsContact CD2-CZ2 3.47Å; L51-W311 HydrophobicContact CG-CH2 4.34Å; L51-W311 HydrophobicContact CG-CZ2 4.32Å; N272-W311 PolarHBondContact O-NE1 3.15Å; P309-W311 VanDerWaalsContact C-N 3.34Å; P309-W311 HydrophobicContact CB-CD2 4.48Å; P309-W311 HydrophobicContact CB-CG 4.32Å; P309-W311 PolarHBondContact O-N 2.88Å; W311-K313 VanDerWaalsContact C-N 3.31Å; W311-K313 PolarHBondContact O-N 3.09Å; W311-Q314 PolarHBondContact O-N 3.29Å; W311-L315 HydrophobicContact CE3-CD2 4.4Å; W311-L315 HydrophobicContact CZ3-CD2 4.3Å; W311-L315 VanDerWaalsContact O-CB 3.3Å; W311-L315 WeakPolarHBondContact O-CB 3.39Å; W311-L315 PolarHBondContact O-N 3.11Å |
| 312 | F | 90.5 | Very high | 93.6 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 1% | 0.013 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64 | -42.7 | 177.5 | -178.4 | -85.9 | 0 | 0 | 0 | 110.1 | V49 L51 L308 P309 S310 Q314 L315 N316 F362 | V49-F312 HydrophobicContact CG1-CD2 4.18Å; V49-F312 HydrophobicContact CG1-CE2 4.27Å; L51-F312 HydrophobicContact CD1-CD2 3.72Å; L51-F312 HydrophobicContact CD1-CE2 4.04Å; L51-F312 HydrophobicContact CD1-CG 4.44Å; L308-F312 HydrophobicContact CB-CD1 4.2Å; L308-F312 HydrophobicContact CD1-CD1 3.93Å; L308-F312 HydrophobicContact CD1-CE1 3.97Å; L308-F312 HydrophobicContact CD2-CD1 4.18Å; L308-F312 HydrophobicContact CD2-CE1 4.28Å; L308-F312 HydrophobicContact CG-CD1 4.33Å; P309-F312 HydrophobicContact CB-CB 4.28Å; P309-F312 HydrophobicContact CG-CB 4.44Å; P309-F312 WeakPolarHBondContact O-CB 3.37Å; P309-F312 PolarHBondContact O-N 3.21Å; P309-F312 VanDerWaalsContact O-N 3.13Å; S310-F312 VanDerWaalsContact C-N 3.31Å; S310-F312 PolarHBondContact O-N 2.94Å; F312-Q314 VanDerWaalsContact C-N 3.31Å; F312-Q314 PolarHBondContact O-N 3.43Å; F312-L315 PolarHBondContact O-N 3.14Å; F312-N316 HydrophobicContact CE1-CB 4.26Å; F312-N316 HydrophobicContact CZ-CB 4.4Å; F312-N316 WeakPolarHBondContact O-CB 3.2Å; F312-N316 PolarHBondContact O-N 3.42Å; F312-N316 PolarHBondContact O-ND2 2.83Å; F312-N316 VanDerWaalsContact O-ND2 3.09Å; F312-F362 HydrophobicContact CE1-CE1 4.06Å; F312-F362 HydrophobicContact CE1-CZ 4.08Å; F312-F362 HydrophobicContact CZ-CE1 4.32Å; F312-F362 HydrophobicContact CZ-CE2 4.16Å; F312-F362 AromaticContact CZ-CZ 4Å; F312-F362 HydrophobicContact CZ-CZ 4Å |
| 313 | K | 89.5 | Confident | 93.7 | Very high | 49 Ų | 49 | 41.2 Ų | 41.2 | 21% | 0.213 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.6 | -42 | 176.7 | -57 | -179.3 | -169.6 | 177.5 | 0 | 111.3 | L81 K82 L308 P309 S310 W311 M320 | L81-K313 PolarHBondContact O-NZ 3.41Å; K82-K313 PolarHBondContact O-NZ 3.32Å; L308-K313 HydrophobicContact CB-CG 4.27Å; L308-K313 WeakPolarHBondContact O-CE 3.28Å; P309-K313 WeakPolarHBondContact O-CG 3.42Å; P309-K313 PolarHBondContact O-N 3.02Å; S310-K313 WeakPolarHBondContact O-CB 3.43Å; S310-K313 PolarHBondContact O-N 2.78Å; W311-K313 VanDerWaalsContact C-N 3.31Å; W311-K313 PolarHBondContact O-N 3.09Å; K313-M320 HydrophobicContact CB-CE 4.41Å; K313-M320 HydrophobicContact CB-CG 3.96Å; K313-M320 HydrophobicContact CB-SD 4.13Å; K313-M320 HydrophobicContact CD-CE 4.09Å; K313-M320 HydrophobicContact CG-CE 3.83Å; K313-M320 HydrophobicContact CG-CG 4.27Å; K313-M320 HydrophobicContact CG-SD 3.76Å |
| 314 | Q | 89.8 | Confident | 93.8 | Very high | 155 Ų | 155 | 46 Ų | 46 | 72% | 0.724 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -70.2 | -41.6 | 179.9 | -67.6 | 172.6 | 21.5 | 0 | 0 | 112.6 | S310 W311 F312 | S310-Q314 WeakPolarHBondContact O-CG 3.49Å; S310-Q314 PolarHBondContact O-N 2.74Å; S310-Q314 VanDerWaalsContact O-N 3.13Å; W311-Q314 PolarHBondContact O-N 3.29Å; F312-Q314 VanDerWaalsContact C-N 3.31Å; F312-Q314 PolarHBondContact O-N 3.43Å |
| 315 | L | 89.7 | Confident | 93.7 | Very high | 122 Ų | 122 | 48.4 Ų | 48.4 | 64% | 0.639 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -75.2 | -27.1 | -178.3 | -170.9 | 64.7 | 0 | 0 | 0 | 112.6 | W311 F312 P317 | W311-L315 HydrophobicContact CE3-CD2 4.4Å; W311-L315 HydrophobicContact CZ3-CD2 4.3Å; W311-L315 VanDerWaalsContact O-CB 3.3Å; W311-L315 WeakPolarHBondContact O-CB 3.39Å; W311-L315 PolarHBondContact O-N 3.11Å; F312-L315 PolarHBondContact O-N 3.14Å; L315-P317 VanDerWaalsContact O-CD 3.3Å; L315-P317 WeakPolarHBondContact O-CD 2.99Å |
| 316 | N | 89.7 | Confident | 93.7 | Very high | 21 Ų | 21 | 48.4 Ų | 48.4 | 11% | 0.112 | 25% | 0.253 | C | S | . | . | trans | -121.6 | 58.9 | -174.7 | -58.3 | -85.3 | 0 | 0 | 0 | 112.8 | F312 F318 A319 M320 F346 | F312-N316 HydrophobicContact CE1-CB 4.26Å; F312-N316 HydrophobicContact CZ-CB 4.4Å; F312-N316 WeakPolarHBondContact O-CB 3.2Å; F312-N316 PolarHBondContact O-N 3.42Å; F312-N316 PolarHBondContact O-ND2 2.83Å; F312-N316 VanDerWaalsContact O-ND2 3.09Å; N316-F318 VanDerWaalsContact C-N 3.27Å; N316-F318 PolarHBondContact O-N 2.51Å; N316-A319 HydrophobicContact CB-CB 3.82Å; N316-A319 WeakPolarHBondContact O-CB 3.39Å; N316-A319 PolarHBondContact O-N 2.6Å; N316-M320 PolarHBondContact O-N 2.81Å; N316-F346 VanDerWaalsContact OD1-CZ 3.3Å; N316-F346 WeakPolarHBondContact OD1-CZ 3.48Å | ||
| 317 | P | 93.2 | Very high | 93.6 | Very high | 75 Ų | 75 | 48.7 Ų | 48.7 | 49% | 0.487 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.3 | -34.3 | -175.6 | 25.2 | -34.5 | 0 | 0 | 0 | 112.8 | L315 M320 A321 | L315-P317 VanDerWaalsContact O-CD 3.3Å; L315-P317 WeakPolarHBondContact O-CD 2.99Å; P317-M320 PolarHBondContact O-N 3.48Å; P317-A321 WeakPolarHBondContact O-CB 3.4Å; P317-A321 PolarHBondContact O-N 2.76Å |
| 318 | F | 92.5 | Very high | 93.6 | Very high | 176 Ų | 176 | 55.4 Ų | 55.4 | 77% | 0.772 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -65.8 | -41.8 | 174.7 | -67.4 | -72.1 | 0 | 0 | 0 | 112.5 | N316 M320 A321 N322 | N316-F318 VanDerWaalsContact C-N 3.27Å; N316-F318 PolarHBondContact O-N 2.51Å; F318-M320 VanDerWaalsContact C-N 3.29Å; F318-M320 PolarHBondContact O-N 2.79Å; F318-A321 PolarHBondContact O-N 3.08Å; F318-N322 WeakPolarHBondContact O-CB 3Å; F318-N322 VanDerWaalsContact O-CG 3.28Å; F318-N322 PolarHBondContact O-N 3.48Å; F318-N322 PolarHBondContact O-ND2 3.37Å |
| 319 | A | 92.5 | Very high | 93.5 | Very high | 12 Ų | 12 | 57.9 Ų | 57.9 | 10% | 0.099 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64 | -38.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | N316 N322 L323 F362 | N316-A319 HydrophobicContact CB-CB 3.82Å; N316-A319 WeakPolarHBondContact O-CB 3.39Å; N316-A319 PolarHBondContact O-N 2.6Å; A319-N322 PolarHBondContact O-N 3.43Å; A319-L323 VanDerWaalsContact O-CB 3.32Å; A319-L323 WeakPolarHBondContact O-CB 3.35Å; A319-L323 PolarHBondContact O-N 2.86Å; A319-F362 HydrophobicContact CB-CB 3.91Å; A319-F362 HydrophobicContact CB-CD1 4.07Å; A319-F362 HydrophobicContact CB-CG 4.17Å |
| 320 | M | 94.7 | Very high | 93.6 | Very high | 15 Ų | 15 | 58.6 Ų | 58.6 | 7% | 0.074 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.7 | -41.5 | 175.2 | -67.5 | -52.7 | -57.4 | 0 | 0 | 112.6 | L308 K313 N316 P317 F318 N322 L323 H324 | L308-M320 HydrophobicContact CD1-CE 4.26Å; L308-M320 HydrophobicContact CD1-SD 3.54Å; L308-M320 VanDerWaalsContact CD1-SD 3.54Å; K313-M320 HydrophobicContact CB-CE 4.41Å; K313-M320 HydrophobicContact CB-CG 3.96Å; K313-M320 HydrophobicContact CB-SD 4.13Å; K313-M320 HydrophobicContact CD-CE 4.09Å; K313-M320 HydrophobicContact CG-CE 3.83Å; K313-M320 HydrophobicContact CG-CG 4.27Å; K313-M320 HydrophobicContact CG-SD 3.76Å; N316-M320 PolarHBondContact O-N 2.81Å; P317-M320 PolarHBondContact O-N 3.48Å; F318-M320 VanDerWaalsContact C-N 3.29Å; F318-M320 PolarHBondContact O-N 2.79Å; M320-N322 VanDerWaalsContact C-N 3.33Å; M320-N322 PolarHBondContact O-N 3.46Å; M320-L323 HydrophobicContact CE-CD2 4.21Å; M320-L323 PolarHBondContact O-N 3.32Å; M320-L323 HydrophobicContact SD-CD2 4.37Å; M320-H324 WeakPolarHBondContact O-CB 3.23Å; M320-H324 PolarHBondContact O-CD2 3.1Å; M320-H324 PolarHBondContact O-N 3.28Å |
| 321 | A | 96.3 | Very high | 93.8 | Very high | 48 Ų | 48 | 55.5 Ų | 55.5 | 40% | 0.397 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.7 | -42 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P317 F318 T325 | P317-A321 WeakPolarHBondContact O-CB 3.4Å; P317-A321 PolarHBondContact O-N 2.76Å; F318-A321 PolarHBondContact O-N 3.08Å; A321-T325 WeakPolarHBondContact O-CB 3.47Å; A321-T325 PolarHBondContact O-N 3.05Å; A321-T325 PolarHBondContact O-OG1 3.49Å |
| 322 | N | 96.6 | Very high | 94 | Very high | 39 Ų | 39 | 51.9 Ų | 51.9 | 21% | 0.209 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 174.1 | -70.7 | -18.7 | 0 | 0 | 0 | 111.3 | F318 A319 M320 H324 T325 N326 F362 | F318-N322 WeakPolarHBondContact O-CB 3Å; F318-N322 VanDerWaalsContact O-CG 3.28Å; F318-N322 PolarHBondContact O-N 3.48Å; F318-N322 PolarHBondContact O-ND2 3.37Å; A319-N322 PolarHBondContact O-N 3.43Å; M320-N322 VanDerWaalsContact C-N 3.33Å; M320-N322 PolarHBondContact O-N 3.46Å; N322-H324 VanDerWaalsContact C-N 3.34Å; N322-H324 PolarHBondContact O-N 2.82Å; N322-T325 WeakPolarHBondContact O-CB 3.38Å; N322-T325 PolarHBondContact O-N 3.39Å; N322-T325 VanDerWaalsContact O-N 3.12Å; N322-N326 VanDerWaalsContact O-CB 3.25Å; N322-N326 WeakPolarHBondContact O-CB 3.3Å; N322-N326 PolarHBondContact O-N 3.07Å; N322-N326 PolarHBondContact O-ND2 3.15Å; N322-N326 VanDerWaalsContact O-ND2 3.14Å; N322-N326 PolarHBondContact O-OD1 3.49Å; N322-F362 WeakPolarHBondContact CB-O 3.42Å; N322-F362 PolarHBondContact ND2-O 3.17Å |
| 323 | L | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.9 | -44.4 | 177.8 | -179.9 | 61.6 | 0 | 0 | 0 | 111.8 | T84 M86 I306 L308 A319 M320 N326 S327 L361 F362 | T84-L323 HydrophobicContact CG2-CD1 4.49Å; T84-L323 HydrophobicContact CG2-CG 4.02Å; M86-L323 HydrophobicContact SD-CD1 3.9Å; I306-L323 HydrophobicContact CD1-CD1 4.01Å; I306-L323 HydrophobicContact CG2-CD2 4.37Å; L308-L323 HydrophobicContact CD1-CD2 3.75Å; A319-L323 VanDerWaalsContact O-CB 3.32Å; A319-L323 WeakPolarHBondContact O-CB 3.35Å; A319-L323 PolarHBondContact O-N 2.86Å; M320-L323 HydrophobicContact CE-CD2 4.21Å; M320-L323 PolarHBondContact O-N 3.32Å; M320-L323 HydrophobicContact SD-CD2 4.37Å; L323-N326 PolarHBondContact O-N 2.9Å; L323-S327 PolarHBondContact O-N 3.23Å; L323-L361 VanDerWaalsContact CA-O 3.31Å; L323-L361 WeakPolarHBondContact CA-O 3.38Å; L323-L361 HydrophobicContact CD1-CB 3.91Å; L323-L361 PolarHBondContact N-O 3.16Å; L323-F362 HydrophobicContact CD2-CE1 4.45Å |
| 324 | H | 97.2 | Very high | 94.6 | Very high | 99 Ų | 99 | 49.6 Ų | 49.6 | 46% | 0.458 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.5 | -38.1 | 174.7 | -70.9 | -42.3 | 0 | 0 | 0 | 112.6 | T84 M320 N322 S327 | T84-H324 PolarHBondContact OG1-CE1 3.49Å; M320-H324 WeakPolarHBondContact O-CB 3.23Å; M320-H324 PolarHBondContact O-CD2 3.1Å; M320-H324 PolarHBondContact O-N 3.28Å; N322-H324 VanDerWaalsContact C-N 3.34Å; N322-H324 PolarHBondContact O-N 2.82Å; H324-S327 WeakPolarHBondContact O-CB 3.5Å; H324-S327 PolarHBondContact O-N 2.74Å; H324-S327 PolarHBondContact O-OG 3.49Å |
| 325 | T | 97.5 | Very high | 94.8 | Very high | 51 Ų | 51 | 42.2 Ų | 42.2 | 31% | 0.313 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.7 | -47.1 | 173.9 | -61.7 | 0 | 0 | 0 | 0 | 110.6 | A321 N322 S327 K328 R329 E364 | A321-T325 WeakPolarHBondContact O-CB 3.47Å; A321-T325 PolarHBondContact O-N 3.05Å; A321-T325 PolarHBondContact O-OG1 3.49Å; N322-T325 WeakPolarHBondContact O-CB 3.38Å; N322-T325 PolarHBondContact O-N 3.39Å; N322-T325 VanDerWaalsContact O-N 3.12Å; T325-S327 VanDerWaalsContact C-N 3.26Å; T325-S327 PolarHBondContact O-N 3.03Å; T325-K328 PolarHBondContact O-N 2.77Å; T325-K328 VanDerWaalsContact O-N 3.16Å; T325-R329 WeakPolarHBondContact O-CG 3.47Å; T325-E364 HydrophobicContact CG2-CG 4.26Å |
| 326 | N | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.8 | -25 | -178.9 | -65.9 | -19.1 | 0 | 0 | 0 | 113.2 | M86 N322 L323 K328 R329 L361 S363 V365 | M86-N326 HydrophobicContact CE-CB 4.1Å; M86-N326 WeakPolarHBondContact CE-O 3.49Å; N322-N326 VanDerWaalsContact O-CB 3.25Å; N322-N326 WeakPolarHBondContact O-CB 3.3Å; N322-N326 PolarHBondContact O-N 3.07Å; N322-N326 PolarHBondContact O-ND2 3.15Å; N322-N326 VanDerWaalsContact O-ND2 3.14Å; N322-N326 PolarHBondContact O-OD1 3.49Å; L323-N326 PolarHBondContact O-N 2.9Å; N326-K328 PolarHBondContact O-N 3.07Å; N326-R329 PolarHBondContact O-N 2.87Å; N326-L361 HydrophobicContact CB-CD2 4.32Å; N326-L361 PolarHBondContact ND2-O 3.04Å; N326-S363 PolarHBondContact ND2-O 2.83Å; N326-V365 HydrophobicContact CB-CG2 4.36Å; N326-V365 VanDerWaalsContact OD1-CB 3.29Å; N326-V365 WeakPolarHBondContact OD1-CB 3.45Å; N326-V365 WeakPolarHBondContact OD1-CG2 3.16Å; N326-V365 PolarHBondContact OD1-N 3.41Å |
| 327 | S | 97.4 | Very high | 95.4 | Very high | 10 Ų | 10 | 36.5 Ų | 36.5 | 7% | 0.07 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -26.7 | 172.5 | 76.6 | 0 | 0 | 0 | 0 | 112.8 | I85 E87 M88 L323 H324 T325 | I85-S327 WeakPolarHBondContact O-CB 3.31Å; E87-S327 WeakPolarHBondContact CA-O 3.21Å; E87-S327 WeakPolarHBondContact CB-O 3.47Å; E87-S327 PolarHBondContact N-O 3.24Å; M88-S327 PolarHBondContact N-O 3.46Å; L323-S327 PolarHBondContact O-N 3.23Å; H324-S327 WeakPolarHBondContact O-CB 3.5Å; H324-S327 PolarHBondContact O-N 2.74Å; H324-S327 PolarHBondContact O-OG 3.49Å; T325-S327 VanDerWaalsContact C-N 3.26Å; T325-S327 PolarHBondContact O-N 3.03Å |
| 328 | K | 96.4 | Very high | 95.3 | Very high | 140 Ų | 140 | 33.8 Ų | 33.8 | 61% | 0.609 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | 17.8 | 179 | -57.4 | 179.5 | -177.1 | 179.9 | 0 | 113.1 | T325 N326 | T325-K328 PolarHBondContact O-N 2.77Å; T325-K328 VanDerWaalsContact O-N 3.16Å; N326-K328 PolarHBondContact O-N 3.07Å |
| 329 | R | 93.9 | Very high | 95.3 | Very high | 57 Ų | 57 | 25.6 Ų | 25.6 | 22% | 0.215 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -115.8 | 153.3 | 177.2 | -60.8 | -69.1 | -167.9 | -145.2 | -4.6 | 110.5 | M88 T325 N326 T331 V365 K367 | M88-R329 WeakPolarHBondContact CB-O 3.01Å; T325-R329 WeakPolarHBondContact O-CG 3.47Å; N326-R329 PolarHBondContact O-N 2.87Å; R329-T331 PolarHBondContact O-N 2.96Å; R329-V365 HydrophobicContact CB-CB 4.09Å; R329-V365 HydrophobicContact CB-CG1 4Å; R329-V365 HydrophobicContact CG-CB 4.28Å; R329-V365 PolarHBondContact NE-O 2.85Å; R329-K367 VanDerWaalsContact CZ-CB 3.47Å; R329-K367 VanDerWaalsContact NH1-CB 3.34Å |
| 330 | L | 93.2 | Very high | 95.3 | Very high | 16 Ų | 16 | 25.1 Ų | 25.1 | 8% | 0.084 | 13% | 0.13 | C | C | . | . | trans | -57.8 | 114.2 | 172.2 | -177.6 | 63.3 | 0 | 0 | 0 | 109.4 | N90 R369 A374 I376 P382 | N90-L330 HydrophobicContact CB-CD1 3.79Å; L330-R369 PolarHBondContact O-NH1 3.48Å; L330-A374 HydrophobicContact CD2-CB 4.3Å; L330-I376 HydrophobicContact CD1-CD1 3.81Å; L330-I376 HydrophobicContact CD2-CD1 3.89Å; L330-I376 HydrophobicContact CG-CD1 4.02Å; L330-P382 HydrophobicContact CD1-CG 3.85Å | ||
| 331 | T | 95.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | B | Isolated β-bridge | trans | -130.8 | 156.9 | 178.7 | 51.7 | 0 | 0 | 0 | 0 | 109.9 | M86 M88 Y89 N90 R329 D335 L361 V365 | M86-T331 HydrophobicContact CE-CG2 3.96Å; M88-T331 PolarHBondContact O-N 3Å; Y89-T331 WeakPolarHBondContact CA-O 3.47Å; N90-T331 PolarHBondContact N-O 2.89Å; R329-T331 PolarHBondContact O-N 2.96Å; T331-D335 VanDerWaalsContact CA-OD2 3.26Å; T331-D335 WeakPolarHBondContact CA-OD2 3.42Å; T331-L361 HydrophobicContact CG2-CD2 3.48Å; T331-L361 VanDerWaalsContact CG2-CD2 3.48Å; T331-V365 HydrophobicContact CG2-CG2 4.31Å |
| 332 | T | 95.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -142.2 | 166.2 | -168.3 | 63.3 | 0 | 0 | 0 | 0 | 110.6 | I92 F334 D335 L336 A374 I376 | I92-T332 HydrophobicContact CG2-CG2 4.1Å; T332-F334 PolarHBondContact O-N 2.02Å; T332-F334 VanDerWaalsContact O-N 3.07Å; T332-F334 PolarHBondContact OG1-N 3.38Å; T332-D335 PolarHBondContact N-OD2 3.31Å; T332-D335 WeakPolarHBondContact O-CB 2.81Å; T332-D335 PolarHBondContact O-N 3.2Å; T332-D335 PolarHBondContact OG1-OD2 2.99Å; T332-L336 PolarHBondContact O-N 3.35Å; T332-A374 HydrophobicContact CG2-CB 4.1Å; T332-I376 HydrophobicContact CG2-CD1 3.63Å; T332-I376 HydrophobicContact CG2-CG1 3.82Å | ||
| 333 | P | 95.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -45.2 | -34.2 | 167.4 | -33.3 | 36.2 | 0 | 0 | 0 | 114.9 | Y89 N90 I92 A102 D335 L336 Y337 | Y89-P333 WeakPolarHBondContact OH-CD 3.4Å; Y89-P333 WeakPolarHBondContact OH-CG 3.29Å; N90-P333 WeakPolarHBondContact O-CD 3.3Å; I92-P333 HydrophobicContact CG1-CG 4.41Å; A102-P333 HydrophobicContact CB-CB 3.57Å; A102-P333 HydrophobicContact CB-CG 4.49Å; P333-D335 VanDerWaalsContact C-N 3.35Å; P333-D335 PolarHBondContact O-N 3.27Å; P333-L336 PolarHBondContact O-N 2.75Å; P333-Y337 PolarHBondContact O-N 3.38Å |
| 334 | F | 95.1 | Very high | 92.1 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 1% | 0.013 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.2 | -35.4 | 177.7 | -57.9 | -57.7 | 0 | 0 | 0 | 113.1 | I92 A102 G106 T108 T332 Y337 A338 R357 | I92-F334 HydrophobicContact CB-CE2 4.35Å; I92-F334 HydrophobicContact CD1-CE1 4.17Å; I92-F334 HydrophobicContact CD1-CE2 3.72Å; I92-F334 HydrophobicContact CD1-CZ 3.46Å; I92-F334 VanDerWaalsContact CD1-CZ 3.46Å; I92-F334 HydrophobicContact CG2-CD2 4.12Å; I92-F334 HydrophobicContact CG2-CE2 3.77Å; A102-F334 HydrophobicContact CB-CD1 3.83Å; A102-F334 HydrophobicContact CB-CE1 3.45Å; A102-F334 VanDerWaalsContact CB-CE1 3.45Å; A102-F334 HydrophobicContact CB-CZ 3.97Å; G106-F334 VanDerWaalsContact O-CD1 3.23Å; G106-F334 WeakPolarHBondContact O-CD1 3.44Å; G106-F334 WeakPolarHBondContact O-CE1 3.37Å; T108-F334 HydrophobicContact CG2-CE1 4.46Å; T108-F334 HydrophobicContact CG2-CZ 3.74Å; T332-F334 PolarHBondContact O-N 2.02Å; T332-F334 VanDerWaalsContact O-N 3.07Å; T332-F334 PolarHBondContact OG1-N 3.38Å; F334-Y337 PolarHBondContact O-N 3.22Å; F334-A338 WeakPolarHBondContact O-CB 3.33Å; F334-A338 PolarHBondContact O-N 3.26Å; F334-R357 HydrophobicContact CB-CG 4.35Å; F334-R357 HydrophobicContact CD2-CG 4.22Å; F334-R357 HydrophobicContact CG-CG 4.19Å |
| 335 | D | 95.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -70.5 | -36.3 | 176.9 | -57.2 | -55.7 | 0 | 0 | 0 | 110.9 | T331 T332 P333 A338 T339 I359 L361 R369 | T331-D335 VanDerWaalsContact CA-OD2 3.26Å; T331-D335 WeakPolarHBondContact CA-OD2 3.42Å; T332-D335 PolarHBondContact N-OD2 3.31Å; T332-D335 WeakPolarHBondContact O-CB 2.81Å; T332-D335 PolarHBondContact O-N 3.2Å; T332-D335 PolarHBondContact OG1-OD2 2.99Å; P333-D335 VanDerWaalsContact C-N 3.35Å; P333-D335 PolarHBondContact O-N 3.27Å; D335-A338 PolarHBondContact O-N 2.7Å; D335-T339 WeakPolarHBondContact O-CB 3.02Å; D335-T339 PolarHBondContact O-N 3.07Å; D335-T339 PolarHBondContact O-OG1 3.15Å; D335-I359 WeakPolarHBondContact CA-O 3.37Å; D335-I359 VanDerWaalsContact CB-O 3.22Å; D335-I359 WeakPolarHBondContact CB-O 3.07Å; D335-I359 PolarHBondContact OD1-N 2.86Å; D335-L361 HydrophobicContact CB-CD2 3.94Å; D335-L361 HydrophobicContact CB-CG 4.36Å; D335-R369 VanDerWaalsContact CG-NH1 3.27Å; D335-R369 IonicContact OD1-CZ 3Å; D335-R369 IonicContact OD1-NH1 2.8Å; D335-R369 PolarHBondContact OD1-NH1 2.81Å; D335-R369 VanDerWaalsContact OD1-NH1 3.15Å; D335-R369 IonicContact OD1-NH2 3.45Å; D335-R369 PolarHBondContact OD1-NH2 2.85Å; D335-R369 IonicContact OD2-CZ 2.76Å; D335-R369 IonicContact OD2-NH1 3.04Å; D335-R369 PolarHBondContact OD2-NH1 2.98Å; D335-R369 IonicContact OD2-NH2 3.77Å; D335-R369 PolarHBondContact OD2-NH2 3.35Å |
| 336 | L | 95.7 | Very high | 88.5 | Confident | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.6 | -47.5 | 172.7 | -177.8 | 56.8 | 0 | 0 | 0 | 110.6 | T103 V277 M279 L304 T332 P333 A338 T339 L340 | T103-L336 HydrophobicContact CG2-CD2 3.66Å; T103-L336 HydrophobicContact CG2-CG 4.15Å; V277-L336 HydrophobicContact CG1-CD1 4.19Å; V277-L336 HydrophobicContact CG1-CD2 4.09Å; V277-L336 HydrophobicContact CG2-CD1 4.27Å; M279-L336 HydrophobicContact CE-CD2 4.29Å; M279-L336 HydrophobicContact SD-CD2 3.93Å; L304-L336 HydrophobicContact CD1-CD2 4.14Å; T332-L336 PolarHBondContact O-N 3.35Å; P333-L336 PolarHBondContact O-N 2.75Å; L336-A338 VanDerWaalsContact C-N 3.35Å; L336-A338 PolarHBondContact O-N 3.1Å; L336-T339 WeakPolarHBondContact O-CA 3.15Å; L336-T339 VanDerWaalsContact O-CB 3.28Å; L336-T339 WeakPolarHBondContact O-CB 3.36Å; L336-T339 PolarHBondContact O-N 3.23Å; L336-L340 HydrophobicContact CD1-CG 4.44Å; L336-L340 HydrophobicContact CG-CD1 4.44Å; L336-L340 WeakPolarHBondContact O-CG 3.38Å; L336-L340 PolarHBondContact O-N 3.41Å |
| 337 | Y | 94.9 | Very high | 85.8 | Confident | 21 Ų | 21 | 23 Ų | 23 | 8% | 0.082 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57.2 | -45.5 | 173.9 | 179.5 | -95.1 | 0 | 0 | 0 | 112.5 | T103 G106 I131 P333 F334 T339 L340 T341 | T103-Y337 WeakPolarHBondContact O-CD2 3.29Å; G106-Y337 VanDerWaalsContact CA-CD1 3.41Å; G106-Y337 VanDerWaalsContact CA-CG 3.46Å; G106-Y337 VanDerWaalsContact N-CD2 3.27Å; I131-Y337 HydrophobicContact CB-CE2 4.07Å; I131-Y337 HydrophobicContact CD1-CD2 4.41Å; I131-Y337 HydrophobicContact CD1-CE2 4.32Å; I131-Y337 HydrophobicContact CG1-CE2 4.44Å; P333-Y337 PolarHBondContact O-N 3.38Å; F334-Y337 PolarHBondContact O-N 3.22Å; Y337-T339 PolarHBondContact O-N 3.5Å; Y337-L340 PolarHBondContact O-N 2.86Å; Y337-T341 HydrophobicContact CD1-CG2 4.19Å; Y337-T341 HydrophobicContact CE1-CG2 3.72Å; Y337-T341 HydrophobicContact CE2-CG2 4.2Å; Y337-T341 WeakPolarHBondContact O-CG2 3.48Å; Y337-T341 PolarHBondContact O-N 2.56Å; Y337-T341 PolarHBondContact O-OG1 2.8Å |
| 338 | A | 92.6 | Very high | 83.1 | Confident | 18 Ų | 18 | 26.7 Ų | 26.7 | 15% | 0.149 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.5 | -28.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F334 D335 L336 T341 R342 | F334-A338 WeakPolarHBondContact O-CB 3.33Å; F334-A338 PolarHBondContact O-N 3.26Å; D335-A338 PolarHBondContact O-N 2.7Å; L336-A338 VanDerWaalsContact C-N 3.35Å; L336-A338 PolarHBondContact O-N 3.1Å; A338-T341 WeakPolarHBondContact CA-OG1 3.09Å; A338-T341 PolarHBondContact O-OG1 2.91Å; A338-T341 VanDerWaalsContact O-OG1 3.1Å; A338-R342 WeakPolarHBondContact O-CB 3.41Å; A338-R342 PolarHBondContact O-N 3.47Å |
| 339 | T | 92.4 | Very high | 80.4 | Confident | 4 Ų | 4 | 28.8 Ų | 28.8 | 3% | 0.025 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -73.9 | -47.2 | 175.1 | -53.3 | 0 | 0 | 0 | 0 | 111.7 | D335 L336 Y337 T341 R342 I343 L361 F362 | D335-T339 WeakPolarHBondContact O-CB 3.02Å; D335-T339 PolarHBondContact O-N 3.07Å; D335-T339 PolarHBondContact O-OG1 3.15Å; L336-T339 WeakPolarHBondContact O-CA 3.15Å; L336-T339 VanDerWaalsContact O-CB 3.28Å; L336-T339 WeakPolarHBondContact O-CB 3.36Å; L336-T339 PolarHBondContact O-N 3.23Å; Y337-T339 PolarHBondContact O-N 3.5Å; T339-T341 PolarHBondContact O-N 3.36Å; T339-R342 PolarHBondContact O-N 2.98Å; T339-I343 PolarHBondContact O-N 3.26Å; T339-L361 HydrophobicContact CG2-CB 4.24Å; T339-L361 WeakPolarHBondContact OG1-CB 3.16Å; T339-L361 VanDerWaalsContact OG1-CG 3.28Å; T339-L361 WeakPolarHBondContact OG1-CG 3.48Å; T339-L361 PolarHBondContact OG1-N 2.89Å; T339-F362 HydrophobicContact CG2-CD2 3.91Å; T339-F362 HydrophobicContact CG2-CE1 4.39Å; T339-F362 HydrophobicContact CG2-CE2 3.6Å; T339-F362 HydrophobicContact CG2-CG 4.44Å; T339-F362 HydrophobicContact CG2-CZ 3.86Å |
| 340 | L | 91.1 | Very high | 77.5 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.2 | -44.8 | 180 | -63 | 173.8 | 0 | 0 | 0 | 111.4 | I53 I55 I131 L336 Y337 R342 I343 | I53-L340 HydrophobicContact CG2-CD2 3.82Å; I55-L340 HydrophobicContact CD1-CD1 3.74Å; I55-L340 HydrophobicContact CD1-CD2 4.46Å; I131-L340 HydrophobicContact CD1-CB 3.41Å; I131-L340 VanDerWaalsContact CD1-CB 3.41Å; I131-L340 HydrophobicContact CD1-CD1 4.14Å; I131-L340 HydrophobicContact CD1-CG 4.43Å; L336-L340 HydrophobicContact CD1-CG 4.44Å; L336-L340 HydrophobicContact CG-CD1 4.44Å; L336-L340 WeakPolarHBondContact O-CG 3.38Å; L336-L340 PolarHBondContact O-N 3.41Å; Y337-L340 PolarHBondContact O-N 2.86Å; L340-R342 VanDerWaalsContact C-N 3.3Å; L340-R342 PolarHBondContact O-N 3.45Å; L340-I343 WeakPolarHBondContact O-CB 3.45Å; L340-I343 PolarHBondContact O-N 3.11Å |
| 341 | T | 86.8 | Confident | 74.6 | Confident | 16 Ų | 16 | 40.2 Ų | 40.2 | 10% | 0.098 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.5 | -35.5 | 175.6 | 49.9 | 0 | 0 | 0 | 0 | 112.5 | I131 Y337 A338 T339 I343 I344 A345 | I131-T341 HydrophobicContact CD1-CG2 4.14Å; Y337-T341 HydrophobicContact CD1-CG2 4.19Å; Y337-T341 HydrophobicContact CE1-CG2 3.72Å; Y337-T341 HydrophobicContact CE2-CG2 4.2Å; Y337-T341 WeakPolarHBondContact O-CG2 3.48Å; Y337-T341 PolarHBondContact O-N 2.56Å; Y337-T341 PolarHBondContact O-OG1 2.8Å; A338-T341 WeakPolarHBondContact CA-OG1 3.09Å; A338-T341 PolarHBondContact O-OG1 2.91Å; A338-T341 VanDerWaalsContact O-OG1 3.1Å; T339-T341 PolarHBondContact O-N 3.36Å; T341-I343 VanDerWaalsContact C-N 3.35Å; T341-I343 PolarHBondContact O-N 3.42Å; T341-I344 PolarHBondContact O-N 3Å; T341-A345 PolarHBondContact O-N 3.23Å |
| 342 | R | 82.1 | Confident | 71.8 | Confident | 57 Ų | 57 | 44.4 Ų | 44.4 | 22% | 0.215 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.8 | -29.9 | 176.3 | -175.8 | 159.5 | 177.2 | 69 | 6.4 | 113.6 | A338 T339 L340 I344 A345 F346 S347 S360 | A338-R342 WeakPolarHBondContact O-CB 3.41Å; A338-R342 PolarHBondContact O-N 3.47Å; T339-R342 PolarHBondContact O-N 2.98Å; L340-R342 VanDerWaalsContact C-N 3.3Å; L340-R342 PolarHBondContact O-N 3.45Å; R342-I344 VanDerWaalsContact C-N 3.27Å; R342-I344 PolarHBondContact O-N 2.9Å; R342-A345 CarbonylContact O-C 3.58Å; R342-A345 PolarHBondContact O-N 3.07Å; R342-F346 PolarHBondContact O-N 3.41Å; R342-S347 PolarHBondContact NH1-O 2.82Å; R342-S360 WeakPolarHBondContact CD-OG 3.38Å |
| 343 | I | 79 | Confident | 69.3 | Low | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.3 | -37.4 | 174.2 | -66.4 | 166.5 | 0 | 0 | 0 | 110.5 | L51 I53 V275 T339 L340 T341 F362 | L51-I343 HydrophobicContact CB-CG2 4.22Å; I53-I343 HydrophobicContact CD1-CG2 4.46Å; V275-I343 HydrophobicContact CB-CD1 4.42Å; V275-I343 HydrophobicContact CG1-CD1 4.36Å; V275-I343 HydrophobicContact CG2-CD1 3.95Å; T339-I343 PolarHBondContact O-N 3.26Å; L340-I343 WeakPolarHBondContact O-CB 3.45Å; L340-I343 PolarHBondContact O-N 3.11Å; T341-I343 VanDerWaalsContact C-N 3.35Å; T341-I343 PolarHBondContact O-N 3.42Å; I343-F362 HydrophobicContact CD1-CE2 4.16Å; I343-F362 HydrophobicContact CD1-CZ 4.49Å; I343-F362 HydrophobicContact CG1-CE2 3.79Å |
| 344 | I | 70.5 | Confident | 66.9 | Low | 5 Ų | 5 | 60.1 Ų | 60.1 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.6 | -35.5 | -177.7 | -55.2 | 169.6 | 0 | 0 | 0 | 111.8 | A48 I131 L135 T138 T341 R342 | A48-I344 WeakPolarHBondContact CB-O 3.36Å; I131-I344 HydrophobicContact CD1-CD1 4.41Å; I131-I344 HydrophobicContact CG1-CD1 4.3Å; L135-I344 HydrophobicContact CD1-CD1 4.43Å; L135-I344 HydrophobicContact CD2-CD1 3.29Å; L135-I344 HydrophobicContact CD2-CG1 3.49Å; L135-I344 VanDerWaalsContact CD2-CG1 3.49Å; L135-I344 HydrophobicContact CG-CD1 3.64Å; L135-I344 HydrophobicContact CG-CG1 4.39Å; T138-I344 HydrophobicContact CG2-CG2 4.16Å; T341-I344 PolarHBondContact O-N 3Å; R342-I344 VanDerWaalsContact C-N 3.27Å; R342-I344 PolarHBondContact O-N 2.9Å |
| 345 | A | 63.6 | Low | 64.9 | Low | 34 Ų | 34 | 64.1 Ų | 64.1 | 28% | 0.281 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.1 | 67.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | T341 R342 S347 | T341-A345 PolarHBondContact O-N 3.23Å; R342-A345 CarbonylContact O-C 3.58Å; R342-A345 PolarHBondContact O-N 3.07Å; A345-S347 PolarHBondContact O-N 2.93Å |
| 346 | F | 55.6 | Low | 63.5 | Low | 51 Ų | 51 | 73.3 Ų | 73.3 | 22% | 0.224 | 36% | 0.361 | C | S | . | . | trans | -68.3 | 62 | -178 | -166 | -93.5 | 0 | 0 | 0 | 112.3 | D47 V49 N316 R342 | D47-F346 WeakPolarHBondContact O-CB 3.38Å; D47-F346 VanDerWaalsContact OD2-O 3.08Å; V49-F346 HydrophobicContact CG2-CB 3.98Å; V49-F346 HydrophobicContact CG2-CD1 4.12Å; V49-F346 HydrophobicContact CG2-CD2 3.96Å; V49-F346 HydrophobicContact CG2-CE2 4.47Å; V49-F346 HydrophobicContact CG2-CG 3.77Å; N316-F346 VanDerWaalsContact OD1-CZ 3.3Å; N316-F346 WeakPolarHBondContact OD1-CZ 3.48Å; R342-F346 PolarHBondContact O-N 3.41Å | ||
| 347 | S | 40.5 | Very low | 63 | Low | 40 Ų | 40 | 73.8 Ų | 73.8 | 28% | 0.28 | 36% | 0.363 | S | S | . | . | trans | -95.6 | 128.6 | 167.4 | -173.6 | 0 | 0 | 0 | 0 | 108.2 | D47 R342 A345 Q349 | D47-S347 WeakPolarHBondContact OD2-CA 2.98Å; R342-S347 PolarHBondContact NH1-O 2.82Å; A345-S347 PolarHBondContact O-N 2.93Å; S347-Q349 PolarHBondContact O-N 3.07Å | ||
| 348 | P | 40.1 | Very low | 62.7 | Low | 89 Ų | 89 | 74 Ų | 74 | 58% | 0.578 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 127 | 167.8 | 0.5 | 12.3 | 0 | 0 | 0 | 108.3 | ||
| 349 | Q | 38.9 | Very low | 62.7 | Low | 184 Ų | 184 | 75.1 Ų | 75.1 | 86% | 0.86 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | 40.1 | 167.6 | -58.4 | 164.8 | -19.5 | 0 | 0 | 118.4 | S347 C351 | S347-Q349 PolarHBondContact O-N 3.07Å; Q349-C351 PolarHBondContact O-N 3.19Å |
| 350 | R | 33.7 | Very low | 62.7 | Low | 186 Ų | 186 | 75.4 Ų | 75.4 | 70% | 0.702 | 38% | 0.377 | S | S | * | . | trans | -71.6 | 108.5 | 144.9 | -80.7 | -172 | 173.7 | 175.5 | -0.4 | 107.7 | I352 | R350-I352 HydrophobicContact CB-CD1 4.23Å; R350-I352 HydrophobicContact CB-CG1 3.5Å; R350-I352 VanDerWaalsContact CB-CG1 3.5Å; R350-I352 PolarHBondContact O-N 3.09Å | ||
| 351 | C | 31.5 | Very low | 62.9 | Low | 127 Ų | 127 | 75.4 Ų | 75.4 | 86% | 0.858 | 38% | 0.376 | S | S | * | . | trans | -57.5 | 78.1 | 149.5 | -74.2 | 0 | 0 | 0 | 0 | 107 | Q349 R353 | Q349-C351 PolarHBondContact O-N 3.19Å; C351-R353 PolarHBondContact O-N 3.31Å | ||
| 352 | I | 37.8 | Very low | 63.2 | Low | 89 Ų | 89 | 75.2 Ų | 75.2 | 46% | 0.456 | 37% | 0.374 | S | S | . | . | trans | -69.9 | 105 | 175.4 | -64 | -176.8 | 0 | 0 | 0 | 105 | R350 I354 | R350-I352 HydrophobicContact CB-CD1 4.23Å; R350-I352 HydrophobicContact CB-CG1 3.5Å; R350-I352 VanDerWaalsContact CB-CG1 3.5Å; R350-I352 PolarHBondContact O-N 3.09Å; I352-I354 HydrophobicContact CG2-CB 3.81Å; I352-I354 HydrophobicContact CG2-CD1 3.42Å; I352-I354 VanDerWaalsContact CG2-CD1 3.42Å; I352-I354 HydrophobicContact CG2-CG1 3.39Å; I352-I354 PolarHBondContact O-N 3.08Å | ||
| 353 | R | 42.1 | Very low | 63.6 | Low | 250 Ų | 250 | 74.7 Ų | 74.7 | 94% | 0.943 | 38% | 0.38 | S | S | * | . | trans | -62.3 | 29.3 | 170.8 | -86.3 | 177.7 | 134.7 | -176.8 | -3.3 | 113.1 | C351 L355 | C351-R353 PolarHBondContact O-N 3.31Å; R353-L355 VanDerWaalsContact C-N 3.27Å; R353-L355 PolarHBondContact O-N 2.95Å; R353-L355 VanDerWaalsContact O-N 3.1Å | ||
| 354 | I | 46.4 | Very low | 64.3 | Low | 81 Ų | 81 | 79.7 Ų | 79.7 | 42% | 0.415 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -83.1 | 88.7 | 165.9 | -63 | 170.7 | 0 | 0 | 0 | 104.5 | I352 | I352-I354 HydrophobicContact CG2-CB 3.81Å; I352-I354 HydrophobicContact CG2-CD1 3.42Å; I352-I354 VanDerWaalsContact CG2-CD1 3.42Å; I352-I354 HydrophobicContact CG2-CG1 3.39Å; I352-I354 PolarHBondContact O-N 3.08Å |
| 355 | L | 52.5 | Low | 65.3 | Low | 86 Ų | 86 | 79.4 Ų | 79.4 | 45% | 0.45 | 40% | 0.401 | S | S | . | . | trans | 34 | 109.2 | 166.7 | -65.5 | 150.3 | 0 | 0 | 0 | 113.4 | R353 R357 G358 | R353-L355 VanDerWaalsContact C-N 3.27Å; R353-L355 PolarHBondContact O-N 2.95Å; R353-L355 VanDerWaalsContact O-N 3.1Å; L355-R357 HydrophobicContact CB-CG 4.28Å; L355-R357 VanDerWaalsContact CD1-NH1 3.32Å; L355-R357 WeakPolarHBondContact O-CG 3.32Å; L355-R357 PolarHBondContact O-N 3.05Å; L355-G358 PolarHBondContact O-N 2.89Å | ||
| 356 | Q | 65.3 | Low | 66.6 | Low | 194 Ų | 194 | 80.7 Ų | 80.7 | 91% | 0.907 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -37.4 | -11.6 | -176.8 | -73.5 | 174.5 | -26.4 | 0 | 0 | 118.1 | ||
| 357 | R | 84.7 | Confident | 68.2 | Low | 12 Ų | 12 | 86.3 Ų | 86.3 | 5% | 0.045 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -36 | 175.3 | 71.2 | 176.1 | 175 | -111.6 | 4.7 | 115.9 | G106 E111 F334 L355 R369 D373 R375 | G106-R357 PolarHBondContact O-NH2 3.35Å; E111-R357 IonicContact OE1-CZ 3.45Å; E111-R357 IonicContact OE1-NH1 3.86Å; E111-R357 PolarHBondContact OE1-NH1 3Å; E111-R357 IonicContact OE1-NH2 3.1Å; E111-R357 PolarHBondContact OE1-NH2 2.79Å; E111-R357 IonicContact OE2-CZ 2.62Å; E111-R357 IonicContact OE2-NH1 2.69Å; E111-R357 PolarHBondContact OE2-NH1 2.89Å; E111-R357 IonicContact OE2-NH2 3.95Å; E111-R357 PolarHBondContact OE2-NH2 3.41Å; F334-R357 HydrophobicContact CB-CG 4.35Å; F334-R357 HydrophobicContact CD2-CG 4.22Å; F334-R357 HydrophobicContact CG-CG 4.19Å; L355-R357 HydrophobicContact CB-CG 4.28Å; L355-R357 VanDerWaalsContact CD1-NH1 3.32Å; L355-R357 WeakPolarHBondContact O-CG 3.32Å; L355-R357 PolarHBondContact O-N 3.05Å; R357-R369 PolarHBondContact O-NH2 3.45Å; R357-D373 WeakPolarHBondContact CA-O 3.15Å; R357-R375 HydrophobicContact CB-CB 4.09Å; R357-R375 HydrophobicContact CB-CG 3.65Å; R357-R375 HydrophobicContact CG-CG 4.39Å |
| 358 | G | 90.2 | Very high | 70.3 | Confident | 24 Ų | 24 | 88.4 Ų | 88.4 | 25% | 0.247 | 45% | 0.445 | C | S | . | . | trans | -101.5 | 123.6 | -172 | 0 | 0 | 0 | 0 | 0 | 112.7 | L355 | L355-G358 PolarHBondContact O-N 2.89Š| ||
| 359 | I | 91.8 | Very high | 72.6 | Confident | 42 Ų | 42 | 85 Ų | 85 | 22% | 0.215 | 42% | 0.421 | C | S | . | . | trans | -120.2 | 126.2 | 178.4 | -58.5 | 175 | 0 | 0 | 0 | 108.4 | D335 L361 V365 | D335-I359 WeakPolarHBondContact CA-O 3.37Å; D335-I359 VanDerWaalsContact CB-O 3.22Å; D335-I359 WeakPolarHBondContact CB-O 3.07Å; D335-I359 PolarHBondContact OD1-N 2.86Å; I359-L361 PolarHBondContact O-N 2.76Å; I359-V365 HydrophobicContact CB-CG2 4.14Å; I359-V365 HydrophobicContact CG2-CG2 3.97Å | ||
| 360 | S | 93 | Very high | 74.8 | Confident | 11 Ų | 11 | 76.8 Ų | 76.8 | 8% | 0.077 | 39% | 0.386 | C | S | . | . | trans | -55.9 | 134.3 | 173.8 | 174.1 | 0 | 0 | 0 | 0 | 110.1 | R342 F362 S363 | R342-S360 WeakPolarHBondContact CD-OG 3.38Å; S360-F362 PolarHBondContact O-N 3Å; S360-F362 PolarHBondContact OG-N 3.45Å; S360-S363 WeakPolarHBondContact O-CA 3.13Å; S360-S363 WeakPolarHBondContact O-CB 3.43Å; S360-S363 PolarHBondContact O-N 2.81Å | ||
| 361 | L | 94.8 | Very high | 77.4 | Confident | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -9.6 | 178.6 | -60.6 | 175.3 | 0 | 0 | 0 | 113 | M86 I306 L323 N326 T331 D335 T339 I359 | M86-L361 HydrophobicContact CE-CD1 4.06Å; M86-L361 HydrophobicContact CE-CD2 3.68Å; M86-L361 HydrophobicContact CE-CG 4.4Å; I306-L361 HydrophobicContact CD1-CD1 3.36Å; L323-L361 VanDerWaalsContact CA-O 3.31Å; L323-L361 WeakPolarHBondContact CA-O 3.38Å; L323-L361 HydrophobicContact CD1-CB 3.91Å; L323-L361 PolarHBondContact N-O 3.16Å; N326-L361 HydrophobicContact CB-CD2 4.32Å; N326-L361 PolarHBondContact ND2-O 3.04Å; T331-L361 HydrophobicContact CG2-CD2 3.48Å; T331-L361 VanDerWaalsContact CG2-CD2 3.48Å; D335-L361 HydrophobicContact CB-CD2 3.94Å; D335-L361 HydrophobicContact CB-CG 4.36Å; T339-L361 HydrophobicContact CG2-CB 4.24Å; T339-L361 WeakPolarHBondContact OG1-CB 3.16Å; T339-L361 VanDerWaalsContact OG1-CG 3.28Å; T339-L361 WeakPolarHBondContact OG1-CG 3.48Å; T339-L361 PolarHBondContact OG1-N 2.89Å; I359-L361 PolarHBondContact O-N 2.76Å |
| 362 | F | 92.3 | Very high | 79.9 | Confident | 12 Ų | 12 | 66.4 Ų | 66.4 | 5% | 0.053 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -7 | 169.7 | -58.5 | -39.1 | 0 | 0 | 0 | 113.8 | L308 F312 A319 N322 L323 T339 I343 S360 | L308-F362 HydrophobicContact CD1-CE1 3.98Å; L308-F362 HydrophobicContact CD1-CZ 4.45Å; L308-F362 HydrophobicContact CD2-CE1 4.48Å; L308-F362 HydrophobicContact CD2-CZ 4.15Å; F312-F362 HydrophobicContact CE1-CE1 4.06Å; F312-F362 HydrophobicContact CE1-CZ 4.08Å; F312-F362 HydrophobicContact CZ-CE1 4.32Å; F312-F362 HydrophobicContact CZ-CE2 4.16Å; F312-F362 AromaticContact CZ-CZ 4Å; F312-F362 HydrophobicContact CZ-CZ 4Å; A319-F362 HydrophobicContact CB-CB 3.91Å; A319-F362 HydrophobicContact CB-CD1 4.07Å; A319-F362 HydrophobicContact CB-CG 4.17Å; N322-F362 WeakPolarHBondContact CB-O 3.42Å; N322-F362 PolarHBondContact ND2-O 3.17Å; L323-F362 HydrophobicContact CD2-CE1 4.45Å; T339-F362 HydrophobicContact CG2-CD2 3.91Å; T339-F362 HydrophobicContact CG2-CE1 4.39Å; T339-F362 HydrophobicContact CG2-CE2 3.6Å; T339-F362 HydrophobicContact CG2-CG 4.44Å; T339-F362 HydrophobicContact CG2-CZ 3.86Å; I343-F362 HydrophobicContact CD1-CE2 4.16Å; I343-F362 HydrophobicContact CD1-CZ 4.49Å; I343-F362 HydrophobicContact CG1-CE2 3.79Å; S360-F362 PolarHBondContact O-N 3Å; S360-F362 PolarHBondContact OG-N 3.45Å |
| 363 | S | 91.7 | Very high | 82.1 | Confident | 47 Ų | 47 | 65.6 Ų | 65.6 | 33% | 0.329 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -109.3 | 147 | 171.1 | -62.5 | 0 | 0 | 0 | 0 | 109.3 | N326 S360 V365 | N326-S363 PolarHBondContact ND2-O 2.83Å; S360-S363 WeakPolarHBondContact O-CA 3.13Å; S360-S363 WeakPolarHBondContact O-CB 3.43Å; S360-S363 PolarHBondContact O-N 2.81Å; S363-V365 PolarHBondContact O-N 2.94Å |
| 364 | E | 93.1 | Very high | 84.4 | Confident | 108 Ų | 108 | 53.7 Ų | 53.7 | 51% | 0.505 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 125 | -179.6 | -169.9 | 177.7 | 171.2 | 0 | 0 | 111.5 | T325 | T325-E364 HydrophobicContact CG2-CG 4.26Š|
| 365 | V | 91.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 123.2 | 169 | 176.2 | 0 | 0 | 0 | 0 | 108.1 | N326 R329 T331 I359 S363 K367 R369 | N326-V365 HydrophobicContact CB-CG2 4.36Å; N326-V365 VanDerWaalsContact OD1-CB 3.29Å; N326-V365 WeakPolarHBondContact OD1-CB 3.45Å; N326-V365 WeakPolarHBondContact OD1-CG2 3.16Å; N326-V365 PolarHBondContact OD1-N 3.41Å; R329-V365 HydrophobicContact CB-CB 4.09Å; R329-V365 HydrophobicContact CB-CG1 4Å; R329-V365 HydrophobicContact CG-CB 4.28Å; R329-V365 PolarHBondContact NE-O 2.85Å; T331-V365 HydrophobicContact CG2-CG2 4.31Å; I359-V365 HydrophobicContact CB-CG2 4.14Å; I359-V365 HydrophobicContact CG2-CG2 3.97Å; S363-V365 PolarHBondContact O-N 2.94Å; V365-K367 PolarHBondContact O-N 2.97Å; V365-R369 HydrophobicContact CG1-CB 4.3Å |
| 366 | P | 91.5 | Very high | 88 | Confident | 60 Ų | 60 | 51.9 Ų | 51.9 | 39% | 0.39 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 137.9 | -177 | -26.7 | 34 | 0 | 0 | 0 | 112.9 | S368 R369 | P366-S368 PolarHBondContact O-N 3.07Å; P366-S368 VanDerWaalsContact O-N 3.17Å; P366-R369 WeakPolarHBondContact O-CB 3.17Å; P366-R369 PolarHBondContact O-N 3.39Å; P366-R369 VanDerWaalsContact O-N 3.09Å |
| 367 | K | 88.5 | Confident | 88.9 | Confident | 170 Ų | 170 | 44.8 Ų | 44.8 | 74% | 0.739 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -32.4 | 174.3 | -180 | 163.3 | -177.3 | -173.8 | 0 | 112.9 | R329 V365 R369 | R329-K367 VanDerWaalsContact CZ-CB 3.47Å; R329-K367 VanDerWaalsContact NH1-CB 3.34Å; V365-K367 PolarHBondContact O-N 2.97Å; K367-R369 VanDerWaalsContact C-N 3.32Å |
| 368 | S | 85.6 | Confident | 88.8 | Confident | 83 Ų | 83 | 46.2 Ų | 46.2 | 58% | 0.58 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -4.1 | -177.6 | 55.6 | 0 | 0 | 0 | 0 | 114.2 | P366 G370 | P366-S368 PolarHBondContact O-N 3.07Å; P366-S368 VanDerWaalsContact O-N 3.17Å; S368-G370 PolarHBondContact O-N 2.79Å; S368-G370 VanDerWaalsContact O-N 3.14Å |
| 369 | R | 87.1 | Confident | 88.4 | Confident | 18 Ų | 18 | 45 Ų | 45 | 7% | 0.068 | 23% | 0.232 | C | C | . | . | trans | -61 | 117.2 | -176.5 | -175.4 | -176.4 | 179.3 | -157.7 | 9.1 | 110.5 | L330 D335 R357 V365 P366 K367 D373 | L330-R369 PolarHBondContact O-NH1 3.48Å; D335-R369 VanDerWaalsContact CG-NH1 3.27Å; D335-R369 IonicContact OD1-CZ 3Å; D335-R369 IonicContact OD1-NH1 2.8Å; D335-R369 PolarHBondContact OD1-NH1 2.81Å; D335-R369 VanDerWaalsContact OD1-NH1 3.15Å; D335-R369 IonicContact OD1-NH2 3.45Å; D335-R369 PolarHBondContact OD1-NH2 2.85Å; D335-R369 IonicContact OD2-CZ 2.76Å; D335-R369 IonicContact OD2-NH1 3.04Å; D335-R369 PolarHBondContact OD2-NH1 2.98Å; D335-R369 IonicContact OD2-NH2 3.77Å; D335-R369 PolarHBondContact OD2-NH2 3.35Å; R357-R369 PolarHBondContact O-NH2 3.45Å; V365-R369 HydrophobicContact CG1-CB 4.3Å; P366-R369 WeakPolarHBondContact O-CB 3.17Å; P366-R369 PolarHBondContact O-N 3.39Å; P366-R369 VanDerWaalsContact O-N 3.09Å; K367-R369 VanDerWaalsContact C-N 3.32Å; R369-D373 HydrophobicContact CG-CB 3.86Å | ||
| 370 | G | 85 | Confident | 88.2 | Confident | 12 Ų | 12 | 43 Ų | 43 | 12% | 0.124 | 22% | 0.222 | C | C | . | . | trans | -96.6 | 178.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | S368 Y372 D373 A374 | S368-G370 PolarHBondContact O-N 2.79Å; S368-G370 VanDerWaalsContact O-N 3.14Å; G370-Y372 VanDerWaalsContact C-N 3.27Å; G370-Y372 PolarHBondContact O-N 2.92Å; G370-D373 PolarHBondContact N-OD2 3.05Å; G370-D373 PolarHBondContact O-N 3.45Å; G370-A374 PolarHBondContact O-N 2.86Å; G370-A374 VanDerWaalsContact O-N 3.1Å | ||
| 371 | C | 87.8 | Confident | 87.8 | Confident | 9 Ų | 9 | 42.8 Ų | 42.8 | 6% | 0.061 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -35.6 | 176.3 | -64.9 | 0 | 0 | 0 | 0 | 112.8 | A374 R375 I376 C381 | C371-A374 CarbonylContact O-C 3.51Å; C371-A374 PolarHBondContact O-N 2.92Å; C371-R375 PolarHBondContact O-N 2.81Å; C371-I376 HydrophobicContact CB-CB 4.04Å; C371-I376 PolarHBondContact O-N 3.5Å; C371-C381 HydrophobicContact CB-CB 3.65Å; C371-C381 WeakPolarHBondContact CB-SG 3.44Å; C371-C381 WeakPolarHBondContact SG-CA 3.44Å; C371-C381 WeakPolarHBondContact SG-CB 3.05Å; C371-C381 CovalentContact SG-SG 2.02Å; C371-C381 PolarHBondContact SG-SG 3.01Å |
| 372 | Y | 84.3 | Confident | 87 | Confident | 86 Ų | 86 | 44.5 Ų | 44.5 | 34% | 0.337 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -50.1 | 175.9 | -178.9 | -94.4 | 0 | 0 | 0 | 111.4 | G370 A374 R375 S440 E442 | G370-Y372 VanDerWaalsContact C-N 3.27Å; G370-Y372 PolarHBondContact O-N 2.92Å; Y372-A374 VanDerWaalsContact C-N 3.29Å; Y372-A374 PolarHBondContact O-N 2.83Å; Y372-R375 PolarHBondContact O-N 2.96Å; Y372-R375 PolarHBondContact OH-NH1 3.33Å; Y372-S440 WeakPolarHBondContact CD2-OG 3.45Å; Y372-S440 WeakPolarHBondContact CE2-OG 3.37Å; Y372-E442 PolarHBondContact OH-OE1 3.03Å |
| 373 | D | 85.4 | Confident | 86 | Confident | 71 Ų | 71 | 47.1 Ų | 47.1 | 38% | 0.38 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -41.3 | 178.2 | -53.5 | -47 | 0 | 0 | 0 | 111.3 | R357 R369 G370 R375 | R357-D373 WeakPolarHBondContact CA-O 3.15Å; R369-D373 HydrophobicContact CG-CB 3.86Å; G370-D373 PolarHBondContact N-OD2 3.05Å; G370-D373 PolarHBondContact O-N 3.45Å; D373-R375 PolarHBondContact O-N 2.83Å |
| 374 | A | 88.6 | Confident | 85.1 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -2.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L330 T332 G370 C371 Y372 I376 | L330-A374 HydrophobicContact CD2-CB 4.3Å; T332-A374 HydrophobicContact CG2-CB 4.1Å; G370-A374 PolarHBondContact O-N 2.86Å; G370-A374 VanDerWaalsContact O-N 3.1Å; C371-A374 CarbonylContact O-C 3.51Å; C371-A374 PolarHBondContact O-N 2.92Å; Y372-A374 VanDerWaalsContact C-N 3.29Å; Y372-A374 PolarHBondContact O-N 2.83Å; A374-I376 HydrophobicContact CB-CD1 3.81Å; A374-I376 HydrophobicContact CB-CG1 3.83Å; A374-I376 PolarHBondContact O-N 3.33Å |
| 375 | R | 87.9 | Confident | 84.2 | Confident | 123 Ų | 123 | 47 Ų | 47 | 46% | 0.464 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 38 | -172.7 | -60.9 | -66.6 | -170.8 | -164.8 | 1.5 | 113.3 | R357 C371 Y372 D373 | R357-R375 HydrophobicContact CB-CB 4.09Å; R357-R375 HydrophobicContact CB-CG 3.65Å; R357-R375 HydrophobicContact CG-CG 4.39Å; C371-R375 PolarHBondContact O-N 2.81Å; Y372-R375 PolarHBondContact O-N 2.96Å; Y372-R375 PolarHBondContact OH-NH1 3.33Å; D373-R375 PolarHBondContact O-N 2.83Å |
| 376 | I | 88 | Confident | 83.7 | Confident | 7 Ų | 7 | 49.3 Ų | 49.3 | 4% | 0.036 | 25% | 0.254 | C | S | . | . | trans | -86.9 | 121.6 | 171.4 | -58 | 169.2 | 0 | 0 | 0 | 107.7 | N90 I92 L330 T332 C371 A374 W380 | N90-I376 HydrophobicContact CB-CD1 4.41Å; I92-I376 HydrophobicContact CG2-CG1 4.3Å; L330-I376 HydrophobicContact CD1-CD1 3.81Å; L330-I376 HydrophobicContact CD2-CD1 3.89Å; L330-I376 HydrophobicContact CG-CD1 4.02Å; T332-I376 HydrophobicContact CG2-CD1 3.63Å; T332-I376 HydrophobicContact CG2-CG1 3.82Å; C371-I376 HydrophobicContact CB-CB 4.04Å; C371-I376 PolarHBondContact O-N 3.5Å; A374-I376 HydrophobicContact CB-CD1 3.81Å; A374-I376 HydrophobicContact CB-CG1 3.83Å; A374-I376 PolarHBondContact O-N 3.33Å; I376-W380 HydrophobicContact CG2-CB 3.69Å | ||
| 377 | P | 84.6 | Confident | 83.4 | Confident | 45 Ų | 45 | 52.4 Ų | 52.4 | 29% | 0.292 | 26% | 0.261 | S | S | . | . | trans | -57.9 | 146.7 | 175.8 | -21.6 | 31.8 | 0 | 0 | 0 | 111.6 | I92 H379 W380 C381 L497 | I92-P377 WeakPolarHBondContact O-CD 3.27Å; P377-H379 PolarHBondContact O-N 3.4Å; P377-W380 WeakPolarHBondContact O-CA 3.4Å; P377-W380 PolarHBondContact O-N 3.43Å; P377-C381 PolarHBondContact O-N 3.47Å; P377-L497 HydrophobicContact CB-CD1 4.28Å; P377-L497 HydrophobicContact CB-CD2 3.86Å; P377-L497 HydrophobicContact CG-CD2 4.49Å | ||
| 378 | L | 81.6 | Confident | 83.4 | Confident | 41 Ų | 41 | 52.5 Ų | 52.5 | 22% | 0.215 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -51.4 | -37.9 | -175.8 | -71.9 | 171.3 | 0 | 0 | 0 | 113.2 | W380 C381 L384 V439 L464 | L378-W380 PolarHBondContact O-N 2.89Å; L378-C381 WeakPolarHBondContact O-CB 3.2Å; L378-C381 PolarHBondContact O-N 3.46Å; L378-L384 HydrophobicContact CD2-CD1 4.3Å; L378-L384 WeakPolarHBondContact O-CD1 3.47Å; L378-V439 HydrophobicContact CD1-CG1 4.13Å; L378-V439 HydrophobicContact CD2-CG1 4.36Å; L378-L464 HydrophobicContact CD1-CD1 4.37Å; L378-L464 HydrophobicContact CD1-CD2 4.12Å; L378-L464 HydrophobicContact CD2-CD1 4.5Å |
| 379 | H | 82.8 | Confident | 83.5 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -57.1 | -37 | 176.4 | -176 | 84.8 | 0 | 0 | 0 | 112.9 | R300 P377 E479 T481 L497 F499 | R300-H379 PolarHBondContact NH1-O 3.35Å; R300-H379 VanDerWaalsContact NH1-O 3.1Å; R300-H379 PolarHBondContact NH2-O 3.15Å; P377-H379 PolarHBondContact O-N 3.4Å; H379-E479 IonicContact CE1-OE1 3.2Å; H379-E479 PolarHBondContact CE1-OE1 3.06Å; H379-E479 IonicContact NE2-OE1 2.89Å; H379-E479 PolarHBondContact NE2-OE1 3.21Å; H379-T481 PolarHBondContact ND1-OG1 2.74Å; H379-L497 HydrophobicContact CB-CB 4.05Å; H379-L497 HydrophobicContact CB-CD1 4.05Å; H379-L497 HydrophobicContact CB-CD2 4.03Å; H379-L497 HydrophobicContact CB-CG 4.27Å; H379-F499 AromaticContact CD2-CE2 3.64Å; H379-F499 AromaticContact CE1-CD2 3.99Å; H379-F499 AromaticContact NE2-CD2 3.57Å; H379-F499 AromaticContact NE2-CE2 3.6Å |
| 380 | W | 86.2 | Confident | 83.7 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -94.4 | -3.5 | -176.8 | -61.6 | 108.1 | 0 | 0 | 0 | 113.5 | N90 V91 D94 E299 R300 I376 P377 L378 P382 F499 | N90-W380 PolarHBondContact ND2-O 3.1Å; V91-W380 HydrophobicContact CG2-CB 4.4Å; V91-W380 HydrophobicContact CG2-CD2 4.07Å; V91-W380 HydrophobicContact CG2-CE3 3.43Å; V91-W380 VanDerWaalsContact CG2-CE3 3.43Å; V91-W380 HydrophobicContact CG2-CG 4.47Å; V91-W380 HydrophobicContact CG2-CZ3 4.08Å; D94-W380 HydrophobicContact CB-CH2 3.84Å; D94-W380 HydrophobicContact CB-CZ2 3.55Å; E299-W380 HydrophobicContact CG-CZ3 4.29Å; R300-W380 HydrophobicContact CG-CE3 3.9Å; R300-W380 HydrophobicContact CG-CZ3 4.14Å; I376-W380 HydrophobicContact CG2-CB 3.69Å; P377-W380 WeakPolarHBondContact O-CA 3.4Å; P377-W380 PolarHBondContact O-N 3.43Å; L378-W380 PolarHBondContact O-N 2.89Å; W380-P382 WeakPolarHBondContact O-CD 3.34Å; W380-F499 HydrophobicContact CZ2-CD2 4.18Å; W380-F499 HydrophobicContact CZ2-CE1 4.36Å; W380-F499 AromaticContact CZ2-CE2 3.6Å; W380-F499 HydrophobicContact CZ2-CE2 3.6Å; W380-F499 AromaticContact CZ2-CZ 3.7Å; W380-F499 HydrophobicContact CZ2-CZ 3.7Å |
| 381 | C | 85.3 | Confident | 84.1 | Confident | 6 Ų | 6 | 56.4 Ų | 56.4 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | trans | -70.4 | 123.1 | -177.4 | -175.8 | 0 | 0 | 0 | 0 | 111.2 | C371 P377 L378 L384 | C371-C381 HydrophobicContact CB-CB 3.65Å; C371-C381 WeakPolarHBondContact CB-SG 3.44Å; C371-C381 WeakPolarHBondContact SG-CA 3.44Å; C371-C381 WeakPolarHBondContact SG-CB 3.05Å; C371-C381 CovalentContact SG-SG 2.02Å; C371-C381 PolarHBondContact SG-SG 3.01Å; P377-C381 PolarHBondContact O-N 3.47Å; L378-C381 WeakPolarHBondContact O-CB 3.2Å; L378-C381 PolarHBondContact O-N 3.46Å; C381-L384 HydrophobicContact CB-CD1 4.06Å; C381-L384 HydrophobicContact CB-CG 4.15Å | ||
| 382 | P | 78.4 | Confident | 84.2 | Confident | 37 Ų | 37 | 61.2 Ų | 61.2 | 24% | 0.24 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -17.5 | -179.9 | 32 | -36.3 | 0 | 0 | 0 | 113.3 | N90 L330 W380 L384 | N90-P382 WeakPolarHBondContact OD1-CG 3.26Å; L330-P382 HydrophobicContact CD1-CG 3.85Å; W380-P382 WeakPolarHBondContact O-CD 3.34Å; P382-L384 VanDerWaalsContact C-N 3.33Å; P382-L384 PolarHBondContact O-N 3.01Å |
| 383 | C | 70.8 | Confident | 84.5 | Confident | 67 Ų | 67 | 59 Ų | 59 | 45% | 0.453 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -15.4 | -173.1 | -55.1 | 0 | 0 | 0 | 0 | 114.1 | E385 | C383-E385 PolarHBondContact O-N 2.82Š|
| 384 | L | 72.3 | Confident | 84.8 | Confident | 16 Ų | 16 | 62.9 Ų | 62.9 | 8% | 0.084 | 31% | 0.312 | C | S | . | . | trans | -74.4 | 122.3 | -173 | -64.6 | 176 | 0 | 0 | 0 | 111.1 | L378 C381 P382 W386 L464 | L378-L384 HydrophobicContact CD2-CD1 4.3Å; L378-L384 WeakPolarHBondContact O-CD1 3.47Å; C381-L384 HydrophobicContact CB-CD1 4.06Å; C381-L384 HydrophobicContact CB-CG 4.15Å; P382-L384 VanDerWaalsContact C-N 3.33Å; P382-L384 PolarHBondContact O-N 3.01Å; L384-W386 HydrophobicContact CB-CZ2 4.02Å; L384-W386 HydrophobicContact CD1-CH2 4.33Å; L384-W386 HydrophobicContact CD1-CZ2 3.62Å; L384-W386 HydrophobicContact CG-CZ2 4.49Å; L384-W386 PolarHBondContact O-N 2.77Å; L384-W386 PolarHBondContact O-NE1 3.45Å; L384-L464 HydrophobicContact CD1-CD1 4.27Å | ||
| 385 | E | 74.3 | Confident | 84.8 | Confident | 136 Ų | 136 | 65.4 Ų | 65.4 | 64% | 0.636 | 33% | 0.325 | S | S | * | . | trans | -77.5 | 119.9 | 169.9 | -69.7 | -170.7 | 177.7 | 0 | 0 | 110.7 | C383 N432 A433 | C383-E385 PolarHBondContact O-N 2.82Å; E385-N432 WeakPolarHBondContact O-CA 3.26Å; E385-N432 PolarHBondContact O-ND2 2.87Å; E385-A433 HydrophobicContact CB-CB 4.33Å; E385-A433 PolarHBondContact O-N 2.97Å | ||
| 386 | W | 81.1 | Confident | 85.1 | Confident | 49 Ų | 49 | 59.6 Ų | 59.6 | 19% | 0.186 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 126.6 | 179.2 | -63.9 | 101 | 0 | 0 | 0 | 110.1 | L384 E430 N432 L464 K466 T481 | L384-W386 HydrophobicContact CB-CZ2 4.02Å; L384-W386 HydrophobicContact CD1-CH2 4.33Å; L384-W386 HydrophobicContact CD1-CZ2 3.62Å; L384-W386 HydrophobicContact CG-CZ2 4.49Å; L384-W386 PolarHBondContact O-N 2.77Å; L384-W386 PolarHBondContact O-NE1 3.45Å; W386-E430 HydrophobicContact CB-CB 3.86Å; W386-E430 HydrophobicContact CB-CG 4.36Å; W386-E430 HydrophobicContact CE3-CB 4.14Å; W386-E430 HydrophobicContact CG-CB 4.5Å; W386-N432 HydrophobicContact CE3-CB 4.12Å; W386-N432 HydrophobicContact CH2-CB 4.37Å; W386-N432 HydrophobicContact CZ3-CB 3.87Å; W386-L464 HydrophobicContact CH2-CB 3.97Å; W386-L464 HydrophobicContact CZ3-CB 4.05Å; W386-K466 HydrophobicContact CD2-CB 4.2Å; W386-K466 HydrophobicContact CD2-CD 4.49Å; W386-K466 HydrophobicContact CE3-CB 3.74Å; W386-K466 HydrophobicContact CH2-CB 3.95Å; W386-K466 HydrophobicContact CZ2-CB 4.37Å; W386-K466 HydrophobicContact CZ3-CB 3.61Å; W386-T481 HydrophobicContact CH2-CG2 4.17Å |
| 387 | K | 85.7 | Confident | 85.4 | Confident | 124 Ų | 124 | 65.1 Ų | 65.1 | 54% | 0.539 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 117.9 | 174.5 | -75.5 | 178 | -178.5 | 170 | 0 | 109.4 | K389 E430 M431 A433 | K387-K389 PolarHBondContact O-N 2.82Å; K387-E430 CarbonylContact O-C 3.56Å; K387-E430 WeakPolarHBondContact O-CA 3.46Å; K387-M431 PolarHBondContact N-O 3.3Å; K387-M431 PolarHBondContact O-N 3.08Å; K387-A433 HydrophobicContact CD-CB 3.62Å; K387-A433 HydrophobicContact CG-CB 3.98Å |
| 388 | R | 88.1 | Confident | 85.8 | Confident | 172 Ų | 172 | 66.9 Ų | 66.9 | 65% | 0.649 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 136.3 | 175.3 | -166.7 | 171.5 | -176.5 | 169.4 | 3.8 | 111.1 | ||
| 389 | K | 89 | Confident | 86.3 | Confident | 88 Ų | 88 | 65 Ų | 65 | 38% | 0.383 | 32% | 0.316 | S | S | . | . | trans | -115.7 | 166.1 | 175.4 | -65.8 | -63.9 | -178.4 | 163.8 | 0 | 110.2 | K387 N391 V429 M431 | K387-K389 PolarHBondContact O-N 2.82Å; K389-N391 PolarHBondContact O-N 2.76Å; K389-V429 HydrophobicContact CB-CG1 4.29Å; K389-V429 PolarHBondContact N-O 3.14Å; K389-M431 HydrophobicContact CD-CB 4.31Å; K389-M431 HydrophobicContact CD-SD 4.47Å; K389-M431 WeakPolarHBondContact CE-SD 3.47Å; K389-M431 HydrophobicContact CG-CB 3.74Å | ||
| 390 | S | 91.5 | Very high | 87 | Confident | 71 Ų | 71 | 65 Ų | 65 | 50% | 0.497 | 32% | 0.317 | S | S | . | . | trans | -66.8 | 126.8 | 172.5 | 177.4 | 0 | 0 | 0 | 0 | 110.1 | D392 S393 | S390-D392 PolarHBondContact O-N 2.67Å; S390-D392 PolarHBondContact OG-N 3.04Å; S390-S393 WeakPolarHBondContact O-CB 3.35Å; S390-S393 PolarHBondContact O-N 3.01Å; S390-S393 PolarHBondContact O-OG 3.44Å | ||
| 391 | N | 91.5 | Very high | 87.4 | Confident | 37 Ų | 37 | 69.6 Ų | 69.6 | 20% | 0.198 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.4 | 174 | -64.9 | 7.1 | 0 | 0 | 0 | 111.8 | K389 I426 L427 | K389-N391 PolarHBondContact O-N 2.76Å; N391-I426 HydrophobicContact CB-CB 4.26Å; N391-I426 HydrophobicContact CB-CG2 3.91Å; N391-I426 PolarHBondContact ND2-O 3.26Å; N391-L427 VanDerWaalsContact ND2-C 3.26Å; N391-L427 PolarHBondContact ND2-O 3.04Å |
| 392 | D | 90.7 | Very high | 87.9 | Confident | 109 Ų | 109 | 71.7 Ų | 71.7 | 58% | 0.583 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -1.2 | 180 | -70.4 | -50.6 | 0 | 0 | 0 | 114.3 | S390 R397 | S390-D392 PolarHBondContact O-N 2.67Å; S390-D392 PolarHBondContact OG-N 3.04Å; D392-R397 IonicContact OD1-CZ 2.71Å; D392-R397 IonicContact OD1-NH2 3.57Å; D392-R397 PolarHBondContact OD1-NH2 2.88Å |
| 393 | S | 91.4 | Very high | 88.7 | Confident | 40 Ų | 40 | 70 Ų | 70 | 28% | 0.28 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -63.1 | 145.8 | 178.2 | 66.7 | 0 | 0 | 0 | 0 | 111.3 | S390 M395 A396 R397 | S390-S393 WeakPolarHBondContact O-CB 3.35Å; S390-S393 PolarHBondContact O-N 3.01Å; S390-S393 PolarHBondContact O-OG 3.44Å; S393-M395 PolarHBondContact O-N 3Å; S393-A396 WeakPolarHBondContact O-CB 3.09Å; S393-A396 PolarHBondContact O-N 2.78Å; S393-A396 VanDerWaalsContact O-N 3.08Å; S393-A396 WeakPolarHBondContact OG-CB 3.3Å; S393-A396 PolarHBondContact OG-N 3.23Å; S393-A396 VanDerWaalsContact OG-N 3.13Å; S393-R397 PolarHBondContact O-N 2.77Å |
| 394 | I | 91.3 | Very high | 90 | Very high | 153 Ų | 153 | 67.2 Ų | 67.2 | 79% | 0.785 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -54 | -41.6 | 176.8 | -63.5 | 171.3 | 0 | 0 | 0 | 110 | R397 F398 | I394-R397 PolarHBondContact O-N 3.27Å; I394-F398 VanDerWaalsContact O-CB 3.31Å; I394-F398 WeakPolarHBondContact O-CB 3.13Å; I394-F398 PolarHBondContact O-N 2.85Å |
| 395 | M | 89.4 | Confident | 91.1 | Very high | 53 Ų | 53 | 71.6 Ų | 71.6 | 26% | 0.261 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.4 | -43 | 178.7 | -164.9 | 58.5 | -172.9 | 0 | 0 | 112.3 | S393 R397 F398 V399 Y465 V484 | S393-M395 PolarHBondContact O-N 3Å; M395-R397 VanDerWaalsContact C-N 3.34Å; M395-R397 PolarHBondContact O-N 2.86Å; M395-F398 HydrophobicContact CE-CD1 4.33Å; M395-F398 PolarHBondContact O-N 2.87Å; M395-F398 HydrophobicContact SD-CD1 4.03Å; M395-V399 HydrophobicContact CE-CG2 3.56Å; M395-V399 HydrophobicContact CG-CG2 4.23Å; M395-V399 WeakPolarHBondContact O-CG2 3.44Å; M395-V399 PolarHBondContact O-N 2.99Å; M395-V399 HydrophobicContact SD-CG2 4.2Å; M395-Y465 HydrophobicContact CE-CE2 4.13Å; M395-Y465 HydrophobicContact CG-CE1 4.04Å; M395-Y465 HydrophobicContact CG-CE2 4.39Å; M395-Y465 WeakPolarHBondContact CG-OH 3.36Å; M395-V484 HydrophobicContact CE-CB 4.2Å; M395-V484 HydrophobicContact CE-CG1 3.58Å; M395-V484 HydrophobicContact CE-CG2 3.63Å |
| 396 | A | 92.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56.5 | -47.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S393 A400 I426 V429 | S393-A396 WeakPolarHBondContact O-CB 3.09Å; S393-A396 PolarHBondContact O-N 2.78Å; S393-A396 VanDerWaalsContact O-N 3.08Å; S393-A396 WeakPolarHBondContact OG-CB 3.3Å; S393-A396 PolarHBondContact OG-N 3.23Å; S393-A396 VanDerWaalsContact OG-N 3.13Å; A396-A400 WeakPolarHBondContact O-CB 3.27Å; A396-A400 PolarHBondContact O-N 3.22Å; A396-I426 HydrophobicContact CB-CD1 4.34Å; A396-V429 HydrophobicContact CB-CB 4.35Å; A396-V429 HydrophobicContact CB-CG1 4.29Å; A396-V429 HydrophobicContact CB-CG2 3.78Å |
| 397 | R | 94.3 | Very high | 92.8 | Very high | 123 Ų | 123 | 63.8 Ų | 63.8 | 46% | 0.464 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.2 | -47.2 | 178.2 | -69 | -175.7 | -176.8 | 157.4 | 4 | 112.2 | D392 S393 I394 M395 V399 A400 E401 I426 | D392-R397 IonicContact OD1-CZ 2.71Å; D392-R397 IonicContact OD1-NH2 3.57Å; D392-R397 PolarHBondContact OD1-NH2 2.88Å; S393-R397 PolarHBondContact O-N 2.77Å; I394-R397 PolarHBondContact O-N 3.27Å; M395-R397 VanDerWaalsContact C-N 3.34Å; M395-R397 PolarHBondContact O-N 2.86Å; R397-V399 PolarHBondContact O-N 3Å; R397-A400 PolarHBondContact O-N 2.64Å; R397-E401 WeakPolarHBondContact O-CB 3.29Å; R397-E401 WeakPolarHBondContact O-CG 3.3Å; R397-E401 PolarHBondContact O-N 2.91Å; R397-I426 HydrophobicContact CB-CD1 4.37Å; R397-I426 HydrophobicContact CG-CD1 3.83Å |
| 398 | F | 93.4 | Very high | 93.3 | Very high | 82 Ų | 82 | 59.5 Ų | 59.5 | 36% | 0.36 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.4 | -50 | 178.5 | 176.1 | -114.6 | 0 | 0 | 0 | 112.1 | I394 M395 A400 E401 Q402 L491 | I394-F398 VanDerWaalsContact O-CB 3.31Å; I394-F398 WeakPolarHBondContact O-CB 3.13Å; I394-F398 PolarHBondContact O-N 2.85Å; M395-F398 HydrophobicContact CE-CD1 4.33Å; M395-F398 PolarHBondContact O-N 2.87Å; M395-F398 HydrophobicContact SD-CD1 4.03Å; F398-A400 PolarHBondContact O-N 3.13Å; F398-E401 PolarHBondContact O-N 2.98Å; F398-Q402 HydrophobicContact CD2-CG 4.38Å; F398-Q402 HydrophobicContact CE1-CG 4.45Å; F398-Q402 HydrophobicContact CE2-CG 4.03Å; F398-Q402 HydrophobicContact CZ-CG 4.07Å; F398-Q402 WeakPolarHBondContact O-CG 3.4Å; F398-Q402 PolarHBondContact O-N 3Å; F398-L491 HydrophobicContact CD1-CD1 4.42Å; F398-L491 HydrophobicContact CD1-CD2 4.43Å; F398-L491 HydrophobicContact CE1-CD1 3.37Å; F398-L491 HydrophobicContact CE1-CD2 4.09Å; F398-L491 HydrophobicContact CE1-CG 4.36Å; F398-L491 HydrophobicContact CZ-CD1 3.75Å |
| 399 | V | 93.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.1 | -42 | 179.2 | -174.5 | 0 | 0 | 0 | 0 | 110.7 | M395 R397 E401 Q402 V403 L467 V482 V484 L491 | M395-V399 HydrophobicContact CE-CG2 3.56Å; M395-V399 HydrophobicContact CG-CG2 4.23Å; M395-V399 WeakPolarHBondContact O-CG2 3.44Å; M395-V399 PolarHBondContact O-N 2.99Å; M395-V399 HydrophobicContact SD-CG2 4.2Å; R397-V399 PolarHBondContact O-N 3Å; V399-E401 PolarHBondContact O-N 3.32Å; V399-Q402 PolarHBondContact O-N 3.43Å; V399-V403 HydrophobicContact CG1-CG2 4.45Å; V399-V403 VanDerWaalsContact O-CG2 3.23Å; V399-V403 WeakPolarHBondContact O-CG2 3.49Å; V399-V403 PolarHBondContact O-N 2.62Å; V399-L467 HydrophobicContact CB-CD2 4Å; V399-L467 HydrophobicContact CG1-CD2 3.21Å; V399-V482 HydrophobicContact CG1-CB 3.89Å; V399-V482 HydrophobicContact CG1-CG1 3.95Å; V399-V482 HydrophobicContact CG1-CG2 3.8Å; V399-V484 HydrophobicContact CG2-CG2 4.42Å; V399-L491 HydrophobicContact CB-CD2 4.32Å; V399-L491 HydrophobicContact CG1-CD2 4.14Å; V399-L491 HydrophobicContact CG2-CD2 3.87Å |
| 400 | A | 96 | Very high | 93.8 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A396 R397 F398 V403 V404 L423 I426 I469 | A396-A400 WeakPolarHBondContact O-CB 3.27Å; A396-A400 PolarHBondContact O-N 3.22Å; R397-A400 PolarHBondContact O-N 2.64Å; F398-A400 PolarHBondContact O-N 3.13Å; A400-V403 PolarHBondContact O-N 2.72Å; A400-V404 WeakPolarHBondContact O-CG2 3.44Å; A400-V404 PolarHBondContact O-N 3.42Å; A400-L423 HydrophobicContact CB-CD1 4.05Å; A400-L423 HydrophobicContact CB-CD2 3.75Å; A400-I426 HydrophobicContact CB-CD1 3.75Å; A400-I426 HydrophobicContact CB-CG1 3.8Å; A400-I469 HydrophobicContact CB-CG2 3.75Å |
| 401 | E | 96.1 | Very high | 94 | Very high | 96 Ų | 96 | 56.7 Ų | 56.7 | 45% | 0.449 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.7 | -42 | 175.1 | -74 | 172.5 | -179.3 | 0 | 0 | 111.8 | R397 F398 V399 V403 V404 Q405 L423 | R397-E401 WeakPolarHBondContact O-CB 3.29Å; R397-E401 WeakPolarHBondContact O-CG 3.3Å; R397-E401 PolarHBondContact O-N 2.91Å; F398-E401 PolarHBondContact O-N 2.98Å; V399-E401 PolarHBondContact O-N 3.32Å; E401-V403 VanDerWaalsContact C-N 3.29Å; E401-V403 PolarHBondContact O-N 3.13Å; E401-V404 PolarHBondContact O-N 2.98Å; E401-Q405 VanDerWaalsContact O-CG 3.31Å; E401-Q405 WeakPolarHBondContact O-CG 3.26Å; E401-Q405 PolarHBondContact O-N 3.18Å; E401-L423 HydrophobicContact CG-CD2 4.05Å |
| 402 | Q | 95.2 | Very high | 94.1 | Very high | 51 Ų | 51 | 63 Ų | 63 | 24% | 0.238 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.1 | -37.3 | 175.4 | -69.4 | -54 | -63.4 | 0 | 0 | 112.2 | F398 V399 Q405 A406 L491 I493 | F398-Q402 HydrophobicContact CD2-CG 4.38Å; F398-Q402 HydrophobicContact CE1-CG 4.45Å; F398-Q402 HydrophobicContact CE2-CG 4.03Å; F398-Q402 HydrophobicContact CZ-CG 4.07Å; F398-Q402 WeakPolarHBondContact O-CG 3.4Å; F398-Q402 PolarHBondContact O-N 3Å; V399-Q402 PolarHBondContact O-N 3.43Å; Q402-Q405 PolarHBondContact O-N 2.86Å; Q402-A406 WeakPolarHBondContact O-CB 3.47Å; Q402-A406 PolarHBondContact O-N 2.79Å; Q402-L491 HydrophobicContact CB-CD2 4.34Å; Q402-L491 HydrophobicContact CG-CD2 4.23Å; Q402-I493 HydrophobicContact CB-CD1 4.1Å |
| 403 | V | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.4 | -43.4 | 175.1 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | V399 A400 E401 Q405 A406 L407 L467 I469 A480 V482 I493 L498 | V399-V403 HydrophobicContact CG1-CG2 4.45Å; V399-V403 VanDerWaalsContact O-CG2 3.23Å; V399-V403 WeakPolarHBondContact O-CG2 3.49Å; V399-V403 PolarHBondContact O-N 2.62Å; A400-V403 PolarHBondContact O-N 2.72Å; E401-V403 VanDerWaalsContact C-N 3.29Å; E401-V403 PolarHBondContact O-N 3.13Å; V403-Q405 VanDerWaalsContact C-N 3.33Å; V403-Q405 PolarHBondContact O-N 3.04Å; V403-A406 PolarHBondContact O-N 2.83Å; V403-L407 WeakPolarHBondContact O-CG 3.37Å; V403-L407 PolarHBondContact O-N 3.49Å; V403-L467 HydrophobicContact CB-CD1 4.29Å; V403-L467 HydrophobicContact CG1-CD1 4.19Å; V403-L467 HydrophobicContact CG2-CD1 3.86Å; V403-L467 HydrophobicContact CG2-CD2 4.16Å; V403-I469 HydrophobicContact CB-CD1 4.16Å; V403-I469 HydrophobicContact CG1-CD1 3.63Å; V403-A480 HydrophobicContact CG1-CB 4.15Å; V403-A480 HydrophobicContact CG2-CB 4.36Å; V403-V482 HydrophobicContact CG2-CG2 3.7Å; V403-I493 HydrophobicContact CG2-CD1 3.99Å; V403-L498 HydrophobicContact CG1-CD1 3.73Å |
| 404 | V | 97.1 | Very high | 94.3 | Very high | 10 Ų | 10 | 64 Ų | 64 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.7 | -37.1 | 174 | 174.5 | 0 | 0 | 0 | 0 | 111.8 | A400 E401 L407 N408 L421 L423 I469 T471 | A400-V404 WeakPolarHBondContact O-CG2 3.44Å; A400-V404 PolarHBondContact O-N 3.42Å; E401-V404 PolarHBondContact O-N 2.98Å; V404-L407 WeakPolarHBondContact O-CB 3.42Å; V404-L407 PolarHBondContact O-N 2.84Å; V404-N408 WeakPolarHBondContact O-CB 3.41Å; V404-N408 PolarHBondContact O-N 3.1Å; V404-N408 PolarHBondContact O-ND2 3.4Å; V404-L421 VanDerWaalsContact CG1-O 3.29Å; V404-L421 WeakPolarHBondContact CG1-O 3.34Å; V404-L423 HydrophobicContact CG2-CB 3.96Å; V404-L423 HydrophobicContact CG2-CD1 4.08Å; V404-I469 HydrophobicContact CG2-CD1 3.64Å; V404-T471 HydrophobicContact CG2-CG2 4.09Å |
| 405 | Q | 96.4 | Very high | 94.4 | Very high | 107 Ų | 107 | 57.9 Ų | 57.9 | 50% | 0.5 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64 | -42 | 173.6 | -72.6 | 176.8 | 16.2 | 0 | 0 | 111.6 | E401 Q402 V403 N408 K409 | E401-Q405 VanDerWaalsContact O-CG 3.31Å; E401-Q405 WeakPolarHBondContact O-CG 3.26Å; E401-Q405 PolarHBondContact O-N 3.18Å; Q402-Q405 PolarHBondContact O-N 2.86Å; V403-Q405 VanDerWaalsContact C-N 3.33Å; V403-Q405 PolarHBondContact O-N 3.04Å; Q405-N408 PolarHBondContact O-N 3.28Å; Q405-K409 WeakPolarHBondContact O-CB 3.31Å; Q405-K409 PolarHBondContact O-N 2.73Å |
| 406 | A | 95 | Very high | 94.7 | Very high | 21 Ų | 21 | 60.9 Ų | 60.9 | 17% | 0.174 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | Q402 V403 K409 R410 I493 M495 | Q402-A406 WeakPolarHBondContact O-CB 3.47Å; Q402-A406 PolarHBondContact O-N 2.79Å; V403-A406 PolarHBondContact O-N 2.83Å; A406-K409 PolarHBondContact O-N 2.99Å; A406-R410 PolarHBondContact O-N 3.41Å; A406-I493 HydrophobicContact CB-CD1 4.01Å; A406-I493 HydrophobicContact CB-CG2 4.18Å; A406-M495 HydrophobicContact CB-SD 3.78Å |
| 407 | L | 95.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -54.7 | -54.1 | 171.4 | -80 | 171.8 | 0 | 0 | 0 | 111.5 | V403 V404 K409 R410 L411 L421 F478 M495 L498 L521 | V403-L407 WeakPolarHBondContact O-CG 3.37Å; V403-L407 PolarHBondContact O-N 3.49Å; V404-L407 WeakPolarHBondContact O-CB 3.42Å; V404-L407 PolarHBondContact O-N 2.84Å; L407-K409 VanDerWaalsContact C-N 3.32Å; L407-K409 PolarHBondContact O-N 2.83Å; L407-R410 PolarHBondContact O-N 3.4Å; L407-R410 VanDerWaalsContact O-N 3.16Å; L407-L411 WeakPolarHBondContact O-CG 3.12Å; L407-L411 PolarHBondContact O-N 2.87Å; L407-L421 HydrophobicContact CB-CD1 4.42Å; L407-L421 HydrophobicContact CD1-CD1 4.17Å; L407-F478 HydrophobicContact CD1-CD1 4.49Å; L407-F478 HydrophobicContact CD1-CD2 4.03Å; L407-F478 HydrophobicContact CD1-CE2 4.3Å; L407-F478 HydrophobicContact CD1-CG 4.12Å; L407-F478 HydrophobicContact CD2-CD1 4.47Å; L407-F478 HydrophobicContact CD2-CE1 4.41Å; L407-M495 HydrophobicContact CD2-CE 4.24Å; L407-L498 HydrophobicContact CD2-CD1 3.95Å; L407-L498 HydrophobicContact CD2-CD2 3.52Å; L407-L498 HydrophobicContact CD2-CG 4.43Å; L407-L498 HydrophobicContact CG-CD1 3.94Å; L407-L498 HydrophobicContact CG-CD2 4.25Å; L407-L521 HydrophobicContact CD2-CB 4.33Å; L407-L521 HydrophobicContact CD2-CD1 4Å; L407-L521 HydrophobicContact CD2-CD2 3.8Å; L407-L521 HydrophobicContact CD2-CG 4.25Å |
| 408 | N | 96.7 | Very high | 94.9 | Very high | 35 Ų | 35 | 57.3 Ų | 57.3 | 19% | 0.187 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.5 | -38.3 | 179.5 | -78.9 | -52.6 | 0 | 0 | 0 | 112.6 | V404 Q405 R410 L411 K412 S420 L421 | V404-N408 WeakPolarHBondContact O-CB 3.41Å; V404-N408 PolarHBondContact O-N 3.1Å; V404-N408 PolarHBondContact O-ND2 3.4Å; Q405-N408 PolarHBondContact O-N 3.28Å; N408-R410 VanDerWaalsContact C-N 3.32Å; N408-R410 PolarHBondContact O-N 2.95Å; N408-L411 PolarHBondContact O-N 3.44Å; N408-K412 WeakPolarHBondContact O-CB 3.1Å; N408-K412 PolarHBondContact O-N 3.42Å; N408-S420 VanDerWaalsContact OD1-CA 3.24Å; N408-S420 WeakPolarHBondContact OD1-CA 3.43Å; N408-S420 PolarHBondContact OD1-OG 2.82Å; N408-L421 PolarHBondContact ND2-O 2.79Å; N408-L421 PolarHBondContact OD1-N 2.84Å |
| 409 | K | 95.4 | Very high | 95.1 | Very high | 172 Ų | 172 | 53.5 Ų | 53.5 | 75% | 0.748 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60.8 | -42.6 | 175 | -175.7 | -178.9 | 178.1 | -175.9 | 0 | 111 | Q405 A406 L407 K412 | Q405-K409 WeakPolarHBondContact O-CB 3.31Å; Q405-K409 PolarHBondContact O-N 2.73Å; A406-K409 PolarHBondContact O-N 2.99Å; L407-K409 VanDerWaalsContact C-N 3.32Å; L407-K409 PolarHBondContact O-N 2.83Å; K409-K412 WeakPolarHBondContact O-CB 3.46Å; K409-K412 PolarHBondContact O-N 3.08Å |
| 410 | R | 92.2 | Very high | 95.2 | Very high | 95 Ų | 95 | 57.1 Ų | 57.1 | 36% | 0.358 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.7 | -40.6 | 176.8 | -174.2 | 69.5 | 179.1 | 113.7 | 13.7 | 111.9 | A406 L407 N408 K412 M495 D515 L518 L521 | A406-R410 PolarHBondContact O-N 3.41Å; L407-R410 PolarHBondContact O-N 3.4Å; L407-R410 VanDerWaalsContact O-N 3.16Å; N408-R410 VanDerWaalsContact C-N 3.32Å; N408-R410 PolarHBondContact O-N 2.95Å; R410-K412 VanDerWaalsContact C-N 3.32Å; R410-M495 HydrophobicContact CB-CE 3.88Å; R410-M495 HydrophobicContact CG-CE 4.14Å; R410-D515 IonicContact CZ-OD2 3.01Å; R410-D515 IonicContact NH2-OD2 2.75Å; R410-D515 PolarHBondContact NH2-OD2 3.09Å; R410-L518 HydrophobicContact CG-CD2 3.71Å; R410-L521 HydrophobicContact CG-CD1 4.33Å |
| 411 | L | 94.5 | Very high | 95.3 | Very high | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -73.8 | -20.1 | 178.3 | -67.6 | 173.7 | 0 | 0 | 0 | 113.4 | L407 N408 L413 Y414 G415 C418 L421 L518 L521 C522 | L407-L411 WeakPolarHBondContact O-CG 3.12Å; L407-L411 PolarHBondContact O-N 2.87Å; N408-L411 PolarHBondContact O-N 3.44Å; L411-L413 PolarHBondContact O-N 3.09Å; L411-L413 VanDerWaalsContact O-N 3.1Å; L411-Y414 CarbonylContact O-C 3.3Å; L411-Y414 VanDerWaalsContact O-C 3.3Å; L411-Y414 PolarHBondContact O-N 3.26Å; L411-G415 PolarHBondContact O-N 3.34Å; L411-C418 HydrophobicContact CB-CB 4.45Å; L411-C418 HydrophobicContact CD2-CB 4.05Å; L411-L421 HydrophobicContact CD1-CD1 3.98Å; L411-L421 HydrophobicContact CD1-CG 4.07Å; L411-L518 HydrophobicContact CD2-CB 4.45Å; L411-L518 HydrophobicContact CD2-CD1 4.35Å; L411-L518 HydrophobicContact CD2-CD2 4.36Å; L411-L521 HydrophobicContact CD2-CB 4.03Å; L411-C522 HydrophobicContact CD2-CB 4.18Å |
| 412 | K | 94.2 | Very high | 95.4 | Very high | 170 Ų | 170 | 55.8 Ų | 55.8 | 74% | 0.739 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -53.7 | -34.9 | -175.2 | -169.3 | 178.5 | -179.8 | -179.6 | 0 | 113.6 | N408 K409 R410 Y414 G415 | N408-K412 WeakPolarHBondContact O-CB 3.1Å; N408-K412 PolarHBondContact O-N 3.42Å; K409-K412 WeakPolarHBondContact O-CB 3.46Å; K409-K412 PolarHBondContact O-N 3.08Å; R410-K412 VanDerWaalsContact C-N 3.32Å; K412-Y414 PolarHBondContact O-N 3.41Å; K412-G415 PolarHBondContact O-N 3.25Å; K412-G415 VanDerWaalsContact O-N 3.13Å |
| 413 | L | 91.4 | Very high | 95.5 | Very high | 123 Ų | 123 | 55.8 Ų | 55.8 | 64% | 0.644 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -59.7 | -28.6 | 178.1 | -177.7 | 61.8 | 0 | 0 | 0 | 112.6 | L411 | L411-L413 PolarHBondContact O-N 3.09Å; L411-L413 VanDerWaalsContact O-N 3.1Å |
| 414 | Y | 94.7 | Very high | 95.5 | Very high | 48 Ų | 48 | 60.9 Ų | 60.9 | 19% | 0.188 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -119.8 | 36 | 178.1 | -57.7 | -80.1 | 0 | 0 | 0 | 110.5 | L411 K412 D416 L417 C418 I511 K514 D515 L518 | L411-Y414 CarbonylContact O-C 3.3Å; L411-Y414 VanDerWaalsContact O-C 3.3Å; L411-Y414 PolarHBondContact O-N 3.26Å; K412-Y414 PolarHBondContact O-N 3.41Å; Y414-D416 VanDerWaalsContact C-OD1 3.32Å; Y414-D416 PolarHBondContact O-N 3.41Å; Y414-D416 VanDerWaalsContact O-N 3.14Å; Y414-L417 HydrophobicContact CD1-CD1 4.36Å; Y414-L417 PolarHBondContact O-N 2.77Å; Y414-C418 PolarHBondContact O-N 3.19Å; Y414-I511 HydrophobicContact CD1-CD1 3.64Å; Y414-I511 HydrophobicContact CD2-CD1 3.78Å; Y414-I511 HydrophobicContact CE1-CD1 4.25Å; Y414-I511 HydrophobicContact CE2-CD1 4.35Å; Y414-I511 HydrophobicContact CG-CD1 3.36Å; Y414-K514 HydrophobicContact CD1-CB 4.21Å; Y414-K514 HydrophobicContact CE1-CB 3.73Å; Y414-K514 HydrophobicContact CE1-CG 4.45Å; Y414-K514 PolarHBondContact OH-O 3.06Å; Y414-D515 HydrophobicContact CE2-CB 3.67Å; Y414-L518 HydrophobicContact CD2-CD1 3.35Å; Y414-L518 HydrophobicContact CE2-CD1 3.69Å; Y414-L518 HydrophobicContact CG-CD1 4.4Å |
| 415 | G | 94.1 | Very high | 95.5 | Very high | 23 Ų | 23 | 62.4 Ų | 62.4 | 24% | 0.237 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -12.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L411 K412 R525 | L411-G415 PolarHBondContact O-N 3.34Å; K412-G415 PolarHBondContact O-N 3.25Å; K412-G415 VanDerWaalsContact O-N 3.13Å; G415-R525 PolarHBondContact O-NE 2.86Å; G415-R525 PolarHBondContact O-NH1 3.47Å; G415-R525 PolarHBondContact O-NH2 3.23Å |
| 416 | D | 94.4 | Very high | 95.5 | Very high | 117 Ų | 117 | 58.6 Ų | 58.6 | 63% | 0.626 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -28.3 | 169.8 | 59.1 | -39.7 | 0 | 0 | 0 | 112.9 | Y414 | Y414-D416 VanDerWaalsContact C-OD1 3.32Å; Y414-D416 PolarHBondContact O-N 3.41Å; Y414-D416 VanDerWaalsContact O-N 3.14Å |
| 417 | L | 95.8 | Very high | 95.4 | Very high | 46 Ų | 46 | 60.8 Ų | 60.8 | 24% | 0.241 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -44.4 | -178.5 | -59.6 | 175.4 | 0 | 0 | 0 | 112.5 | Y414 C510 I511 K514 C524 R525 | Y414-L417 HydrophobicContact CD1-CD1 4.36Å; Y414-L417 PolarHBondContact O-N 2.77Å; L417-C510 HydrophobicContact CB-CB 4.44Å; L417-I511 HydrophobicContact CD1-CD1 4.1Å; L417-K514 HydrophobicContact CD1-CG 3.98Å; L417-C524 WeakPolarHBondContact O-CA 3.29Å; L417-R525 PolarHBondContact O-N 3.31Å |
| 418 | C | 96.7 | Very high | 95.3 | Very high | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.014 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -97.2 | 134.8 | -175.5 | -59.8 | 0 | 0 | 0 | 0 | 111.4 | L411 Y414 C522 F523 R525 | L411-C418 HydrophobicContact CB-CB 4.45Å; L411-C418 HydrophobicContact CD2-CB 4.05Å; Y414-C418 PolarHBondContact O-N 3.19Å; C418-C522 VanDerWaalsContact CA-SG 3.55Å; C418-C522 HydrophobicContact CB-CB 4.08Å; C418-C522 WeakPolarHBondContact CB-SG 3.34Å; C418-C522 WeakPolarHBondContact SG-CB 3.47Å; C418-C522 CovalentContact SG-SG 2.04Å; C418-C522 PolarHBondContact SG-SG 2.91Å; C418-F523 CarbonylContact C-O 3.57Å; C418-F523 WeakPolarHBondContact CA-O 3.45Å; C418-R525 PolarHBondContact O-NE 3.32Å |
| 419 | A | 96.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.008 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -69 | 147.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | P473 F523 R525 L528 | A419-P473 HydrophobicContact CB-CG 3.55Å; A419-F523 HydrophobicContact CB-CB 4.48Å; A419-F523 HydrophobicContact CB-CD1 4.04Å; A419-F523 WeakPolarHBondContact CB-O 3.35Å; A419-F523 PolarHBondContact N-O 3.23Å; A419-R525 HydrophobicContact CB-CG 4.08Å; A419-L528 HydrophobicContact CB-CD1 3.67Å |
| 420 | S | 96.8 | Very high | 94.9 | Very high | 77 Ų | 77 | 52.7 Ų | 52.7 | 54% | 0.538 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 132.9 | 167.8 | -166.4 | 0 | 0 | 0 | 0 | 108.7 | N408 P473 | N408-S420 VanDerWaalsContact OD1-CA 3.24Å; N408-S420 WeakPolarHBondContact OD1-CA 3.43Å; N408-S420 PolarHBondContact OD1-OG 2.82Å; S420-P473 WeakPolarHBondContact O-CD 3.48Å |
| 421 | L | 97.2 | Very high | 94.7 | Very high | 7 Ų | 7 | 49.9 Ų | 49.9 | 4% | 0.037 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -90.4 | 143 | -179.7 | -55.1 | -178.4 | 0 | 0 | 0 | 110.3 | V404 L407 N408 L411 C472 F478 F523 | V404-L421 VanDerWaalsContact CG1-O 3.29Å; V404-L421 WeakPolarHBondContact CG1-O 3.34Å; L407-L421 HydrophobicContact CB-CD1 4.42Å; L407-L421 HydrophobicContact CD1-CD1 4.17Å; N408-L421 PolarHBondContact ND2-O 2.79Å; N408-L421 PolarHBondContact OD1-N 2.84Å; L411-L421 HydrophobicContact CD1-CD1 3.98Å; L411-L421 HydrophobicContact CD1-CG 4.07Å; L421-C472 CarbonylContact C-O 3.52Å; L421-C472 WeakPolarHBondContact CA-O 3.42Å; L421-F478 HydrophobicContact CD1-CE2 3.97Å; L421-F478 HydrophobicContact CD1-CZ 4.14Å; L421-F523 HydrophobicContact CD2-CB 4.47Å |
| 422 | S | 97.6 | Very high | 94 | Very high | 62 Ų | 62 | 50 Ų | 50 | 43% | 0.434 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 148.7 | 169.1 | 61.8 | 0 | 0 | 0 | 0 | 109.9 | Q424 T471 C472 | S422-Q424 PolarHBondContact O-N 3.26Å; S422-T471 CarbonylContact O-C 3.48Å; S422-T471 WeakPolarHBondContact O-CA 3.27Å; S422-T471 WeakPolarHBondContact O-CB 3.37Å; S422-C472 PolarHBondContact N-O 2.95Å; S422-C472 PolarHBondContact O-N 3.05Å; S422-C472 PolarHBondContact OG-O 2.73Å |
| 423 | L | 97.6 | Very high | 92.6 | Very high | 52 Ų | 52 | 42.8 Ų | 42.8 | 27% | 0.272 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 119.3 | 172.8 | -176.6 | 63.5 | 0 | 0 | 0 | 108.7 | A400 E401 V404 I426 I469 | A400-L423 HydrophobicContact CB-CD1 4.05Å; A400-L423 HydrophobicContact CB-CD2 3.75Å; E401-L423 HydrophobicContact CG-CD2 4.05Å; V404-L423 HydrophobicContact CG2-CB 3.96Å; V404-L423 HydrophobicContact CG2-CD1 4.08Å; L423-I426 HydrophobicContact CD1-CG1 4.49Å; L423-I426 HydrophobicContact CD2-CG1 4.36Å; L423-I469 HydrophobicContact CD1-CB 3.83Å; L423-I469 HydrophobicContact CD1-CD1 4.32Å; L423-I469 HydrophobicContact CD1-CG2 3.99Å |
| 424 | Q | 96.5 | Very high | 90.9 | Very high | 106 Ų | 106 | 39.3 Ų | 39.3 | 50% | 0.495 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -43.9 | 177.5 | -177.5 | -179.1 | 20.8 | 0 | 0 | 111 | S422 G470 C472 | S422-Q424 PolarHBondContact O-N 3.26Å; Q424-G470 WeakPolarHBondContact CB-O 3.41Å; Q424-G470 PolarHBondContact N-O 3.32Å; Q424-C472 HydrophobicContact CB-CB 4.33Å |
| 425 | S | 96.4 | Very high | 88.6 | Confident | 43 Ų | 43 | 44.3 Ų | 44.3 | 30% | 0.301 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 149.8 | -176 | 58.3 | 0 | 0 | 0 | 0 | 111.8 | L427 I469 G470 | S425-L427 WeakPolarHBondContact OG-CD2 3.16Å; S425-I469 CarbonylContact O-C 3.56Å; S425-I469 WeakPolarHBondContact O-CA 3.03Å; S425-G470 PolarHBondContact N-O 2.93Å; S425-G470 PolarHBondContact O-N 2.83Å |
| 426 | I | 96.6 | Very high | 86.4 | Confident | 26 Ų | 26 | 46.4 Ų | 46.4 | 13% | 0.133 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 112.8 | 166.5 | -60.2 | 172 | 0 | 0 | 0 | 106.9 | N391 A396 R397 A400 L423 V429 | N391-I426 HydrophobicContact CB-CB 4.26Å; N391-I426 HydrophobicContact CB-CG2 3.91Å; N391-I426 PolarHBondContact ND2-O 3.26Å; A396-I426 HydrophobicContact CB-CD1 4.34Å; R397-I426 HydrophobicContact CB-CD1 4.37Å; R397-I426 HydrophobicContact CG-CD1 3.83Å; A400-I426 HydrophobicContact CB-CD1 3.75Å; A400-I426 HydrophobicContact CB-CG1 3.8Å; L423-I426 HydrophobicContact CD1-CG1 4.49Å; L423-I426 HydrophobicContact CD2-CG1 4.36Å; I426-V429 HydrophobicContact CG2-CG2 3.35Å |
| 427 | L | 94 | Very high | 83.8 | Confident | 68 Ų | 68 | 48.2 Ų | 48.2 | 36% | 0.356 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -41.3 | -176.1 | -56.8 | -179.7 | 0 | 0 | 0 | 111 | N391 S425 K468 I477 | N391-L427 VanDerWaalsContact ND2-C 3.26Å; N391-L427 PolarHBondContact ND2-O 3.04Å; S425-L427 WeakPolarHBondContact OG-CD2 3.16Å; L427-K468 HydrophobicContact CB-CB 4.2Å; L427-K468 WeakPolarHBondContact CB-O 3.3Å; L427-K468 PolarHBondContact N-O 2.76Å; L427-I477 HydrophobicContact CD1-CD1 4.03Å; L427-I477 HydrophobicContact CD1-CG1 4.19Å; L427-I477 HydrophobicContact CD1-CG2 3.54Å |
| 428 | E | 92.8 | Very high | 81.4 | Confident | 17 Ų | 17 | 52.1 Ų | 52.1 | 8% | 0.079 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 137.9 | -177.2 | -175.5 | 167.3 | -147.3 | 0 | 0 | 109.9 | I293 E430 L467 K468 | I293-E428 WeakPolarHBondContact CG1-OE1 3.25Å; E428-E430 HydrophobicContact CG-CG 4.1Å; E428-L467 CarbonylContact O-C 3.57Å; E428-L467 VanDerWaalsContact O-CA 3.26Å; E428-L467 WeakPolarHBondContact O-CA 3.34Å; E428-K468 HydrophobicContact CB-CB 4.09Å; E428-K468 HydrophobicContact CB-CD 4.36Å; E428-K468 HydrophobicContact CB-CG 4.41Å; E428-K468 PolarHBondContact N-O 3.23Å; E428-K468 PolarHBondContact O-N 3.47Å; E428-K468 WeakPolarHBondContact OE2-CD 3.4Å; E428-K468 WeakPolarHBondContact OE2-CE 2.94Å; E428-K468 IonicContact OE2-NZ 3.74Å; E428-K468 PolarHBondContact OE2-NZ 3.25Å |
| 429 | V | 92.5 | Very high | 78.9 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 129 | 167.8 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | K389 A396 I426 Y465 K466 L467 | K389-V429 HydrophobicContact CB-CG1 4.29Å; K389-V429 PolarHBondContact N-O 3.14Å; A396-V429 HydrophobicContact CB-CB 4.35Å; A396-V429 HydrophobicContact CB-CG1 4.29Å; A396-V429 HydrophobicContact CB-CG2 3.78Å; I426-V429 HydrophobicContact CG2-CG2 3.35Å; V429-Y465 HydrophobicContact CG1-CD1 4.02Å; V429-K466 CarbonylContact C-O 3.54Å; V429-K466 WeakPolarHBondContact CA-O 3.08Å; V429-L467 HydrophobicContact CG2-CB 4.23Å |
| 430 | E | 90.6 | Very high | 76.3 | Confident | 18 Ų | 18 | 55.9 Ų | 55.9 | 8% | 0.084 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 144 | 173.9 | -50 | -178.7 | 110.3 | 0 | 0 | 108.9 | W386 K387 E428 Y465 K466 | W386-E430 HydrophobicContact CB-CB 3.86Å; W386-E430 HydrophobicContact CB-CG 4.36Å; W386-E430 HydrophobicContact CE3-CB 4.14Å; W386-E430 HydrophobicContact CG-CB 4.5Å; K387-E430 CarbonylContact O-C 3.56Å; K387-E430 WeakPolarHBondContact O-CA 3.46Å; E428-E430 HydrophobicContact CG-CG 4.1Å; E430-Y465 CarbonylContact O-C 3.57Å; E430-Y465 WeakPolarHBondContact O-CA 3.39Å; E430-K466 HydrophobicContact CB-CB 4.43Å; E430-K466 PolarHBondContact N-O 3.45Å; E430-K466 PolarHBondContact O-N 2.86Å |
| 431 | M | 87.3 | Confident | 73.7 | Confident | 37 Ų | 37 | 54.6 Ų | 54.6 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 132.6 | 175.6 | 179.3 | -178.6 | 163.6 | 0 | 0 | 106.8 | K387 K389 A433 Q463 L464 Y465 | K387-M431 PolarHBondContact N-O 3.3Å; K387-M431 PolarHBondContact O-N 3.08Å; K389-M431 HydrophobicContact CD-CB 4.31Å; K389-M431 HydrophobicContact CD-SD 4.47Å; K389-M431 WeakPolarHBondContact CE-SD 3.47Å; K389-M431 HydrophobicContact CG-CB 3.74Å; M431-A433 PolarHBondContact O-N 3.34Å; M431-Q463 HydrophobicContact CE-CG 3.55Å; M431-Q463 HydrophobicContact CG-CG 3.84Å; M431-Q463 HydrophobicContact SD-CG 4.17Å; M431-L464 WeakPolarHBondContact CA-O 3.41Å; M431-Y465 HydrophobicContact CB-CD1 4.42Å; M431-Y465 HydrophobicContact CB-CE1 4.21Å; M431-Y465 HydrophobicContact CG-CE1 4.27Å; M431-Y465 HydrophobicContact SD-CE1 4.4Å |
| 432 | N | 81.4 | Confident | 71 | Confident | 7 Ų | 7 | 58.2 Ų | 58.2 | 4% | 0.037 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 132 | 175.8 | 175.6 | -111.9 | 0 | 0 | 0 | 109.8 | E385 W386 V434 Q463 L464 | E385-N432 WeakPolarHBondContact O-CA 3.26Å; E385-N432 PolarHBondContact O-ND2 2.87Å; W386-N432 HydrophobicContact CE3-CB 4.12Å; W386-N432 HydrophobicContact CH2-CB 4.37Å; W386-N432 HydrophobicContact CZ3-CB 3.87Å; N432-V434 PolarHBondContact O-N 3.35Å; N432-V434 VanDerWaalsContact O-N 3.07Å; N432-Q463 PolarHBondContact O-NE2 3.5Å; N432-L464 HydrophobicContact CB-CB 3.78Å; N432-L464 HydrophobicContact CB-CD1 4.3Å; N432-L464 HydrophobicContact CB-CG 4.45Å; N432-L464 PolarHBondContact N-O 2.91Å |
| 433 | A | 63.8 | Low | 68 | Low | 18 Ų | 18 | 59.2 Ų | 59.2 | 15% | 0.149 | 31% | 0.308 | C | S | . | . | trans | -74.5 | 95.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | E385 K387 M431 N435 | E385-A433 HydrophobicContact CB-CB 4.33Å; E385-A433 PolarHBondContact O-N 2.97Å; K387-A433 HydrophobicContact CD-CB 3.62Å; K387-A433 HydrophobicContact CG-CB 3.98Å; M431-A433 PolarHBondContact O-N 3.34Å; A433-N435 PolarHBondContact O-N 3.03Å | ||
| 434 | V | 55.1 | Low | 64.8 | Low | 49 Ų | 49 | 62.5 Ų | 62.5 | 30% | 0.297 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -59.5 | 102.7 | -179.2 | -177.4 | 0 | 0 | 0 | 0 | 109.7 | N432 F460 Q463 | N432-V434 PolarHBondContact O-N 3.35Å; N432-V434 VanDerWaalsContact O-N 3.07Å; V434-F460 HydrophobicContact CG1-CD1 4.38Å; V434-Q463 VanDerWaalsContact CG2-OE1 3.31Å |
| 435 | N | 47.5 | Very low | 61.6 | Low | 154 Ų | 154 | 60.7 Ų | 60.7 | 82% | 0.824 | 34% | 0.335 | S | S | * | . | trans | -146.9 | 1.9 | 161.2 | -121.7 | 9.1 | 0 | 0 | 0 | 112 | A433 | A433-N435 PolarHBondContact O-N 3.03Š| ||
| 436 | D | 47.2 | Very low | 58.7 | Low | 66 Ų | 66 | 67.4 Ų | 67.4 | 35% | 0.353 | 37% | 0.367 | S | S | . | . | trans | -91.8 | 115.6 | -178 | -92.7 | -29.5 | 0 | 0 | 0 | 111 | Y438 | D436-Y438 PolarHBondContact O-N 3.4Š| ||
| 437 | K | 40.2 | Very low | 55.5 | Low | 156 Ų | 156 | 70.5 Ų | 70.5 | 68% | 0.678 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 16.8 | 172.7 | -66.1 | -177.7 | 173.6 | -174.7 | 0 | 114.5 | ||
| 438 | Y | 45.1 | Very low | 52.4 | Low | 128 Ų | 128 | 75.5 Ų | 75.5 | 50% | 0.502 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.1 | 6.3 | -159.4 | -66.7 | -75.2 | 0 | 0 | 0 | 114.9 | D436 S440 | D436-Y438 PolarHBondContact O-N 3.4Å; Y438-S440 PolarHBondContact O-N 2.85Å |
| 439 | V | 44.8 | Very low | 49.3 | Very low | 38 Ų | 38 | 80.9 Ų | 80.9 | 23% | 0.23 | 44% | 0.444 | C | S | . | . | trans | -91.4 | 77.6 | 173.7 | -169.3 | 0 | 0 | 0 | 0 | 109.4 | L378 L464 | L378-V439 HydrophobicContact CD1-CG1 4.13Å; L378-V439 HydrophobicContact CD2-CG1 4.36Å; V439-L464 HydrophobicContact CG1-CD1 4.19Å; V439-L464 HydrophobicContact CG2-CD1 4.2Å | ||
| 440 | S | 42.1 | Very low | 46.3 | Very low | 44 Ų | 44 | 91.8 Ų | 91.8 | 31% | 0.308 | 49% | 0.485 | S | S | . | . | trans | -80.7 | 113.5 | 159.9 | 49.3 | 0 | 0 | 0 | 0 | 108.3 | Y372 Y438 | Y372-S440 WeakPolarHBondContact CD2-OG 3.45Å; Y372-S440 WeakPolarHBondContact CE2-OG 3.37Å; Y438-S440 PolarHBondContact O-N 2.85Å | ||
| 441 | F | 41.2 | Very low | 43.4 | Very low | 49 Ų | 49 | 96.4 Ų | 96.4 | 22% | 0.215 | 51% | 0.514 | C | S | . | . | trans | -93.2 | 114.1 | 172.4 | -173.8 | -102 | 0 | 0 | 0 | 108.8 | V483 H492 | F441-V483 HydrophobicContact CD2-CB 4.46Å; F441-V483 HydrophobicContact CD2-CG1 4.32Å; F441-V483 HydrophobicContact CD2-CG2 3.85Å; F441-V483 HydrophobicContact CE2-CB 4.24Å; F441-V483 HydrophobicContact CE2-CG2 3.63Å; F441-V483 HydrophobicContact CZ-CG2 4.42Å; F441-H492 HydrophobicContact CE1-CB 4.26Å; F441-H492 AromaticContact CE1-CG 3.93Å; F441-H492 HydrophobicContact CZ-CB 3.73Å; F441-H492 AromaticContact CZ-CG 3.92Å | ||
| 442 | E | 41 | Very low | 40.7 | Very low | 83 Ų | 83 | 103.1 Ų | 103.1 | 39% | 0.388 | 55% | 0.545 | S | S | . | . | trans | -89.7 | 113.4 | 164.7 | -80.8 | 176.5 | -157.3 | 0 | 0 | 108.2 | Y372 S444 | Y372-E442 PolarHBondContact OH-OE1 3.03Å; E442-S444 PolarHBondContact O-N 2.89Å | ||
| 443 | S | 34.2 | Very low | 38.4 | Very low | 83 Ų | 83 | 108.5 Ų | 108.5 | 58% | 0.58 | 57% | 0.572 | S | S | * | * | trans | -67.2 | 120.4 | 168.8 | 58.3 | 0 | 0 | 0 | 0 | 109.4 | S445 | S443-S445 PolarHBondContact O-N 3Å; S443-S445 VanDerWaalsContact O-N 3.13Å | ||
| 444 | S | 31.4 | Very low | 36.9 | Very low | 121 Ų | 121 | 112.2 Ų | 112.2 | 85% | 0.846 | 60% | 0.596 | S | S | * | * | trans | -72.5 | 100.7 | 164.8 | 58.9 | 0 | 0 | 0 | 0 | 109.2 | E442 | E442-S444 PolarHBondContact O-N 2.89Š| ||
| 445 | S | 28.4 | Very low | 35.9 | Very low | 68 Ų | 68 | 114.5 Ų | 114.5 | 48% | 0.476 | 62% | 0.615 | S | S | . | * | trans | -80.7 | 144.3 | 158.3 | 51.4 | 0 | 0 | 0 | 0 | 109.3 | S443 T447 | S443-S445 PolarHBondContact O-N 3Å; S443-S445 VanDerWaalsContact O-N 3.13Å; S445-T447 PolarHBondContact O-N 3.09Å; S445-T447 PolarHBondContact OG-O 3.35Å; S445-T447 PolarHBondContact OG-OG1 3.22Å | ||
| 446 | D | 35.2 | Very low | 35.2 | Very low | 184 Ų | 184 | 113.8 Ų | 113.8 | 98% | 0.984 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -63.3 | 16.6 | 173.8 | -73.4 | -38.9 | 0 | 0 | 0 | 114.3 | ||
| 447 | T | 29.9 | Very low | 34.6 | Very low | 91 Ų | 91 | 118.1 Ų | 118.1 | 56% | 0.558 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -126 | 129.3 | 179.1 | 50.7 | 0 | 0 | 0 | 0 | 108.7 | S445 D449 | S445-T447 PolarHBondContact O-N 3.09Å; S445-T447 PolarHBondContact OG-O 3.35Å; S445-T447 PolarHBondContact OG-OG1 3.22Å; T447-D449 PolarHBondContact O-N 2.77Å |
| 448 | N | 29.2 | Very low | 34.5 | Very low | 173 Ų | 173 | 114.3 Ų | 114.3 | 93% | 0.925 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -57.7 | 20.9 | -169.6 | -86.2 | -24.6 | 0 | 0 | 0 | 118.3 | ||
| 449 | D | 28 | Very low | 34.7 | Very low | 131 Ų | 131 | 111.1 Ų | 111.1 | 70% | 0.701 | 61% | 0.614 | S | S | * | * | trans | -102.8 | 96.7 | -178.2 | -67.6 | -29.9 | 0 | 0 | 0 | 110.7 | T447 V451 | T447-D449 PolarHBondContact O-N 2.77Å; D449-V451 PolarHBondContact O-N 3.05Å | ||
| 450 | R | 29.7 | Very low | 35.1 | Very low | 229 Ų | 229 | 116.6 Ų | 116.6 | 86% | 0.864 | 64% | 0.635 | S | S | * | * | trans | -74.6 | 113.3 | 168.4 | -71.6 | -179.3 | 175.1 | 161.6 | -1.5 | 108.8 | ||||
| 451 | V | 29.6 | Very low | 36.6 | Very low | 115 Ų | 115 | 117.9 Ų | 117.9 | 70% | 0.697 | 63% | 0.633 | S | S | * | * | trans | -101.4 | 111.9 | 170.4 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | D449 M453 | D449-V451 PolarHBondContact O-N 3.05Å; V451-M453 PolarHBondContact O-N 3.08Å | ||
| 452 | E | 29.2 | Very low | 38.2 | Very low | 179 Ų | 179 | 117.1 Ų | 117.1 | 84% | 0.836 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 121.7 | 171.8 | -70.1 | -179.1 | 162.8 | 0 | 0 | 109.6 | ||
| 453 | M | 35 | Very low | 40.2 | Very low | 120 Ų | 120 | 113.9 Ų | 113.9 | 59% | 0.591 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 119.8 | 174.2 | -136.7 | 171.5 | 73.7 | 0 | 0 | 110 | V451 | V451-M453 PolarHBondContact O-N 3.08Š|
| 454 | S | 31.6 | Very low | 42.7 | Very low | 96 Ų | 96 | 110 Ų | 110 | 67% | 0.671 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -53 | 139.9 | 179.9 | 163.4 | 0 | 0 | 0 | 0 | 113.4 | D456 | S454-D456 VanDerWaalsContact C-N 3.3Å; S454-D456 PolarHBondContact O-N 3.42Å |
| 455 | S | 34.5 | Very low | 45.5 | Very low | 97 Ų | 97 | 105.2 Ų | 105.2 | 68% | 0.678 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -77.8 | 12.6 | -172.8 | 55.3 | 0 | 0 | 0 | 0 | 116.5 | ||
| 456 | D | 31.2 | Very low | 48.4 | Very low | 138 Ų | 138 | 102.3 Ų | 102.3 | 74% | 0.738 | 53% | 0.529 | S | S | * | . | trans | -105.1 | 12 | -165.1 | -72.7 | -16.9 | 0 | 0 | 0 | 116.3 | S454 | S454-D456 VanDerWaalsContact C-N 3.3Å; S454-D456 PolarHBondContact O-N 3.42Å | ||
| 457 | L | 35.7 | Very low | 51.2 | Low | 158 Ų | 158 | 93.7 Ų | 93.7 | 83% | 0.827 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -127.5 | 123.6 | 172.5 | -79.8 | 150.1 | 0 | 0 | 0 | 109.9 | D459 | L457-D459 PolarHBondContact O-N 3.41Š|
| 458 | V | 37.6 | Very low | 54.2 | Low | 75 Ų | 75 | 89.6 Ų | 89.6 | 46% | 0.455 | 46% | 0.457 | S | S | . | . | trans | -62.9 | 92 | 166.2 | 179.3 | 0 | 0 | 0 | 0 | 106.5 | F460 | V458-F460 HydrophobicContact CB-CE2 4.23Å; V458-F460 HydrophobicContact CG1-CD1 4.49Å; V458-F460 HydrophobicContact CG1-CD2 4.13Å; V458-F460 HydrophobicContact CG1-CE1 4.12Å; V458-F460 HydrophobicContact CG1-CE2 3.72Å; V458-F460 HydrophobicContact CG1-CZ 3.72Å; V458-F460 WeakPolarHBondContact O-CD2 3.02Å; V458-F460 PolarHBondContact O-N 3.46Å | ||
| 459 | D | 48.9 | Very low | 57.4 | Low | 62 Ų | 62 | 81.3 Ų | 81.3 | 33% | 0.332 | 41% | 0.413 | S | S | . | . | trans | -79.9 | 88.1 | -176.7 | -162.3 | 4.2 | 0 | 0 | 0 | 109.2 | L457 R461 Y462 | L457-D459 PolarHBondContact O-N 3.41Å; D459-R461 PolarHBondContact O-N 2.97Å; D459-R461 WeakPolarHBondContact OD1-CB 3.32Å; D459-R461 PolarHBondContact OD1-N 3.32Å; D459-Y462 VanDerWaalsContact OD2-CE2 3.25Å; D459-Y462 WeakPolarHBondContact OD2-CE2 3.46Å | ||
| 460 | F | 54.7 | Low | 60.7 | Low | 152 Ų | 152 | 75.2 Ų | 75.2 | 67% | 0.667 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -4.2 | 172.4 | -68.2 | -78.9 | 0 | 0 | 0 | 113.3 | V434 V458 Y462 | V434-F460 HydrophobicContact CG1-CD1 4.38Å; V458-F460 HydrophobicContact CB-CE2 4.23Å; V458-F460 HydrophobicContact CG1-CD1 4.49Å; V458-F460 HydrophobicContact CG1-CD2 4.13Å; V458-F460 HydrophobicContact CG1-CE1 4.12Å; V458-F460 HydrophobicContact CG1-CE2 3.72Å; V458-F460 HydrophobicContact CG1-CZ 3.72Å; V458-F460 WeakPolarHBondContact O-CD2 3.02Å; V458-F460 PolarHBondContact O-N 3.46Å; F460-Y462 VanDerWaalsContact C-N 3.27Å; F460-Y462 PolarHBondContact O-N 3.45Å |
| 461 | R | 71.8 | Confident | 63.9 | Low | 71 Ų | 71 | 64.3 Ų | 64.3 | 27% | 0.268 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -34.2 | 178.1 | 178.2 | 177.3 | -178.8 | -180 | -5.5 | 113.3 | D459 D485 E486 L487 E488 | D459-R461 PolarHBondContact O-N 2.97Å; D459-R461 WeakPolarHBondContact OD1-CB 3.32Å; D459-R461 PolarHBondContact OD1-N 3.32Å; R461-D485 WeakPolarHBondContact CG-OD1 3.21Å; R461-D485 IonicContact CZ-OD2 2.73Å; R461-D485 VanDerWaalsContact NE-CG 3.26Å; R461-D485 IonicContact NE-OD1 3.85Å; R461-D485 PolarHBondContact NE-OD1 3.16Å; R461-D485 VanDerWaalsContact NE-OD1 3.11Å; R461-D485 IonicContact NE-OD2 3.11Å; R461-D485 PolarHBondContact NE-OD2 2.75Å; R461-D485 IonicContact NH2-OD2 2.85Å; R461-D485 PolarHBondContact NH2-OD2 3.27Å; R461-E486 PolarHBondContact O-N 3.24Å; R461-L487 HydrophobicContact CB-CD1 4.07Å; R461-L487 HydrophobicContact CB-CG 4.38Å; R461-L487 HydrophobicContact CG-CB 4.22Å; R461-L487 HydrophobicContact CG-CD1 3.82Å; R461-L487 HydrophobicContact CG-CG 3.98Å; R461-E488 VanDerWaalsContact NH2-CG 3.31Å |
| 462 | Y | 76.2 | Confident | 67.1 | Low | 33 Ų | 33 | 61.4 Ų | 61.4 | 13% | 0.129 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 124.2 | -171.3 | -58.6 | -71.5 | 0 | 0 | 0 | 111.9 | D459 F460 V483 V484 D485 | D459-Y462 VanDerWaalsContact OD2-CE2 3.25Å; D459-Y462 WeakPolarHBondContact OD2-CE2 3.46Å; F460-Y462 VanDerWaalsContact C-N 3.27Å; F460-Y462 PolarHBondContact O-N 3.45Å; Y462-V483 HydrophobicContact CD1-CG1 3.83Å; Y462-V483 HydrophobicContact CG-CG1 4.18Å; Y462-V484 CarbonylContact C-O 3.58Å; Y462-V484 WeakPolarHBondContact CA-O 3.18Å; Y462-D485 HydrophobicContact CD1-CB 4.01Å; Y462-D485 HydrophobicContact CE1-CB 3.85Å |
| 463 | Q | 82.7 | Confident | 70.2 | Confident | 15 Ų | 15 | 53.8 Ų | 53.8 | 7% | 0.07 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 124.2 | 173.7 | -172.7 | 58.9 | 62.7 | 0 | 0 | 110.7 | M431 N432 V434 Y465 V484 E486 | M431-Q463 HydrophobicContact CE-CG 3.55Å; M431-Q463 HydrophobicContact CG-CG 3.84Å; M431-Q463 HydrophobicContact SD-CG 4.17Å; N432-Q463 PolarHBondContact O-NE2 3.5Å; V434-Q463 VanDerWaalsContact CG2-OE1 3.31Å; Q463-Y465 HydrophobicContact CB-CE2 4.05Å; Q463-Y465 HydrophobicContact CG-CD2 4.09Å; Q463-Y465 HydrophobicContact CG-CE2 3.46Å; Q463-Y465 VanDerWaalsContact CG-CE2 3.46Å; Q463-V484 HydrophobicContact CB-CB 4.44Å; Q463-V484 PolarHBondContact N-O 2.04Å; Q463-V484 PolarHBondContact O-N 2.95Å; Q463-E486 HydrophobicContact CB-CG 4.44Å |
| 464 | L | 86.8 | Confident | 72.9 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 130 | 175.7 | -54.7 | 175.6 | 0 | 0 | 0 | 110.4 | L378 L384 W386 M431 N432 V439 V483 | L378-L464 HydrophobicContact CD1-CD1 4.37Å; L378-L464 HydrophobicContact CD1-CD2 4.12Å; L378-L464 HydrophobicContact CD2-CD1 4.5Å; L384-L464 HydrophobicContact CD1-CD1 4.27Å; W386-L464 HydrophobicContact CH2-CB 3.97Å; W386-L464 HydrophobicContact CZ3-CB 4.05Å; M431-L464 WeakPolarHBondContact CA-O 3.41Å; N432-L464 HydrophobicContact CB-CB 3.78Å; N432-L464 HydrophobicContact CB-CD1 4.3Å; N432-L464 HydrophobicContact CB-CG 4.45Å; N432-L464 PolarHBondContact N-O 2.91Å; V439-L464 HydrophobicContact CG1-CD1 4.19Å; V439-L464 HydrophobicContact CG2-CD1 4.2Å; L464-V483 HydrophobicContact CD2-CB 4.13Å; L464-V483 HydrophobicContact CD2-CG1 4.01Å; L464-V483 HydrophobicContact CD2-CG2 3.57Å |
| 465 | Y | 89.7 | Confident | 75.8 | Confident | 20 Ų | 20 | 49.3 Ų | 49.3 | 8% | 0.078 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 133.3 | 169.1 | -74.2 | -96.1 | 0 | 0 | 0 | 109.5 | M395 V429 E430 M431 Q463 T481 V482 V484 | M395-Y465 HydrophobicContact CE-CE2 4.13Å; M395-Y465 HydrophobicContact CG-CE1 4.04Å; M395-Y465 HydrophobicContact CG-CE2 4.39Å; M395-Y465 WeakPolarHBondContact CG-OH 3.36Å; V429-Y465 HydrophobicContact CG1-CD1 4.02Å; E430-Y465 CarbonylContact O-C 3.57Å; E430-Y465 WeakPolarHBondContact O-CA 3.39Å; M431-Y465 HydrophobicContact CB-CD1 4.42Å; M431-Y465 HydrophobicContact CB-CE1 4.21Å; M431-Y465 HydrophobicContact CG-CE1 4.27Å; M431-Y465 HydrophobicContact SD-CE1 4.4Å; Q463-Y465 HydrophobicContact CB-CE2 4.05Å; Q463-Y465 HydrophobicContact CG-CD2 4.09Å; Q463-Y465 HydrophobicContact CG-CE2 3.46Å; Q463-Y465 VanDerWaalsContact CG-CE2 3.46Å; Y465-T481 CarbonylContact O-C 3.56Å; Y465-T481 WeakPolarHBondContact O-CA 3.16Å; Y465-V482 PolarHBondContact N-O 3.2Å; Y465-V482 PolarHBondContact O-N 3.21Å; Y465-V484 HydrophobicContact CD2-CB 4.31Å; Y465-V484 HydrophobicContact CD2-CG2 3.5Å; Y465-V484 VanDerWaalsContact CD2-CG2 3.5Å; Y465-V484 HydrophobicContact CE2-CB 4.27Å; Y465-V484 HydrophobicContact CE2-CG2 3.77Å |
| 466 | K | 90.2 | Very high | 78.6 | Confident | 7 Ų | 7 | 44.7 Ų | 44.7 | 3% | 0.03 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 132.7 | 166.5 | -174.6 | -179.4 | 179.5 | -175.8 | 0 | 108.1 | R300 W386 V429 E430 E479 A480 | R300-K466 VanDerWaalsContact NH2-NZ 3.17Å; W386-K466 HydrophobicContact CD2-CB 4.2Å; W386-K466 HydrophobicContact CD2-CD 4.49Å; W386-K466 HydrophobicContact CE3-CB 3.74Å; W386-K466 HydrophobicContact CH2-CB 3.95Å; W386-K466 HydrophobicContact CZ2-CB 4.37Å; W386-K466 HydrophobicContact CZ3-CB 3.61Å; V429-K466 CarbonylContact C-O 3.54Å; V429-K466 WeakPolarHBondContact CA-O 3.08Å; E430-K466 HydrophobicContact CB-CB 4.43Å; E430-K466 PolarHBondContact N-O 3.45Å; E430-K466 PolarHBondContact O-N 2.86Å; K466-E479 WeakPolarHBondContact CE-OE1 3.23Å; K466-E479 WeakPolarHBondContact CE-OE2 3.36Å; K466-E479 VanDerWaalsContact NZ-CD 3.27Å; K466-E479 IonicContact NZ-OE1 3.03Å; K466-E479 PolarHBondContact NZ-OE1 3.21Å; K466-E479 IonicContact NZ-OE2 2.85Å; K466-E479 PolarHBondContact NZ-OE2 2.97Å; K466-A480 WeakPolarHBondContact CA-O 3.27Å |
| 467 | L | 92.6 | Very high | 81.6 | Confident | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 144 | -175.1 | 51.4 | 95.2 | 0 | 0 | 0 | 111.9 | V399 V403 E428 V429 I469 E479 A480 V482 | V399-L467 HydrophobicContact CB-CD2 4Å; V399-L467 HydrophobicContact CG1-CD2 3.21Å; V403-L467 HydrophobicContact CB-CD1 4.29Å; V403-L467 HydrophobicContact CG1-CD1 4.19Å; V403-L467 HydrophobicContact CG2-CD1 3.86Å; V403-L467 HydrophobicContact CG2-CD2 4.16Å; E428-L467 CarbonylContact O-C 3.57Å; E428-L467 VanDerWaalsContact O-CA 3.26Å; E428-L467 WeakPolarHBondContact O-CA 3.34Å; V429-L467 HydrophobicContact CG2-CB 4.23Å; L467-I469 HydrophobicContact CD1-CG2 3.79Å; L467-E479 VanDerWaalsContact O-CA 3.3Å; L467-E479 WeakPolarHBondContact O-CA 3.37Å; L467-A480 HydrophobicContact CD1-CB 4.02Å; L467-A480 PolarHBondContact N-O 2.62Å; L467-A480 PolarHBondContact O-N 2.69Å; L467-V482 HydrophobicContact CD2-CG2 4.06Å |
| 468 | K | 94.3 | Very high | 84.4 | Confident | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.017 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 121.2 | 166.8 | -66 | 177.9 | -173 | 147.3 | 0 | 109 | P291 T296 L427 E428 F478 E479 | P291-K468 PolarHBondContact O-NZ 3.38Å; T296-K468 PolarHBondContact OG1-NZ 3.42Å; L427-K468 HydrophobicContact CB-CB 4.2Å; L427-K468 WeakPolarHBondContact CB-O 3.3Å; L427-K468 PolarHBondContact N-O 2.76Å; E428-K468 HydrophobicContact CB-CB 4.09Å; E428-K468 HydrophobicContact CB-CD 4.36Å; E428-K468 HydrophobicContact CB-CG 4.41Å; E428-K468 PolarHBondContact N-O 3.23Å; E428-K468 PolarHBondContact O-N 3.47Å; E428-K468 WeakPolarHBondContact OE2-CD 3.4Å; E428-K468 WeakPolarHBondContact OE2-CE 2.94Å; E428-K468 IonicContact OE2-NZ 3.74Å; E428-K468 PolarHBondContact OE2-NZ 3.25Å; K468-F478 CarbonylContact C-O 3.57Å; K468-F478 VanDerWaalsContact CA-O 3.27Å; K468-F478 WeakPolarHBondContact CA-O 3.16Å; K468-E479 WeakPolarHBondContact CE-OE2 3.23Å; K468-E479 HydrophobicContact CG-CB 4.16Å; K468-E479 HydrophobicContact CG-CG 4.07Å; K468-E479 IonicContact NZ-OE2 2.69Å |
| 469 | I | 96.4 | Very high | 87 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 142 | -178.9 | 60.8 | 169.9 | 0 | 0 | 0 | 110.2 | A400 V403 V404 L423 S425 L467 T471 I477 F478 | A400-I469 HydrophobicContact CB-CG2 3.75Å; V403-I469 HydrophobicContact CB-CD1 4.16Å; V403-I469 HydrophobicContact CG1-CD1 3.63Å; V404-I469 HydrophobicContact CG2-CD1 3.64Å; L423-I469 HydrophobicContact CD1-CB 3.83Å; L423-I469 HydrophobicContact CD1-CD1 4.32Å; L423-I469 HydrophobicContact CD1-CG2 3.99Å; S425-I469 CarbonylContact O-C 3.56Å; S425-I469 WeakPolarHBondContact O-CA 3.03Å; L467-I469 HydrophobicContact CD1-CG2 3.79Å; I469-T471 HydrophobicContact CD1-CG2 4.29Å; I469-I477 CarbonylContact O-C 3.55Å; I469-I477 VanDerWaalsContact O-CA 3.3Å; I469-I477 WeakPolarHBondContact O-CA 3.49Å; I469-F478 HydrophobicContact CG1-CB 4Å; I469-F478 PolarHBondContact N-O 2.8Å; I469-F478 PolarHBondContact O-N 3.11Å |
| 470 | G | 96.8 | Very high | 89.1 | Confident | 3 Ų | 3 | 25.9 Ų | 25.9 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 139.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q424 S425 G476 | Q424-G470 WeakPolarHBondContact CB-O 3.41Å; Q424-G470 PolarHBondContact N-O 3.32Å; S425-G470 PolarHBondContact N-O 2.93Å; S425-G470 PolarHBondContact O-N 2.83Å; G470-G476 CarbonylContact C-O 3.57Å; G470-G476 WeakPolarHBondContact CA-O 3.39Å |
| 471 | T | 97.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 151.1 | 177.2 | 65 | 0 | 0 | 0 | 0 | 112.2 | V404 S422 I469 N475 G476 F478 | V404-T471 HydrophobicContact CG2-CG2 4.09Å; S422-T471 CarbonylContact O-C 3.48Å; S422-T471 WeakPolarHBondContact O-CA 3.27Å; S422-T471 WeakPolarHBondContact O-CB 3.37Å; I469-T471 HydrophobicContact CD1-CG2 4.29Å; T471-N475 WeakPolarHBondContact O-CA 3.31Å; T471-N475 PolarHBondContact O-N 3.11Å; T471-G476 PolarHBondContact N-O 3.47Å; T471-G476 PolarHBondContact O-N 3.13Å; T471-G476 PolarHBondContact OG1-O 3.23Å; T471-F478 HydrophobicContact CG2-CD2 3.76Å; T471-F478 HydrophobicContact CG2-CE2 4.02Å; T471-F478 VanDerWaalsContact OG1-CE2 3.27Å; T471-F478 WeakPolarHBondContact OG1-CE2 3.25Å |
| 472 | C | 95.8 | Very high | 91.7 | Very high | 53 Ų | 53 | 15.8 Ų | 15.8 | 36% | 0.358 | 9% | 0.09 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 143.4 | 170.7 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | L421 S422 Q424 | L421-C472 CarbonylContact C-O 3.52Å; L421-C472 WeakPolarHBondContact CA-O 3.42Å; S422-C472 PolarHBondContact N-O 2.95Å; S422-C472 PolarHBondContact O-N 3.05Å; S422-C472 PolarHBondContact OG-O 2.73Å; Q424-C472 HydrophobicContact CB-CB 4.33Å |
| 473 | P | 95.1 | Very high | 92.3 | Very high | 20 Ų | 20 | 14.6 Ų | 14.6 | 13% | 0.13 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -76.4 | 172.8 | -4 | 34.7 | -39 | 0 | 0 | 0 | 113.8 | A419 S420 F523 L528 | A419-P473 HydrophobicContact CB-CG 3.55Å; S420-P473 WeakPolarHBondContact O-CD 3.48Å; P473-F523 HydrophobicContact CB-CD1 3.74Å; P473-F523 HydrophobicContact CB-CE1 3.78Å; P473-F523 HydrophobicContact CB-CG 4.34Å; P473-F523 HydrophobicContact CB-CZ 4.41Å; P473-F523 HydrophobicContact CG-CB 4.4Å; P473-F523 HydrophobicContact CG-CD1 3.47Å; P473-F523 VanDerWaalsContact CG-CD1 3.47Å; P473-F523 HydrophobicContact CG-CE1 3.99Å; P473-F523 HydrophobicContact CG-CG 4.09Å; P473-L528 HydrophobicContact CB-CD2 3.55Å; P473-L528 HydrophobicContact CG-CD1 4.35Å; P473-L528 HydrophobicContact CG-CD2 3.81Å |
| 474 | G | 90.2 | Very high | 92.5 | Very high | 21 Ų | 21 | 14.3 Ų | 14.3 | 22% | 0.216 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | 2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | G476 R500 | G474-G476 PolarHBondContact O-N 3.29Å; G474-G476 VanDerWaalsContact O-N 3.08Å; G474-R500 PolarHBondContact O-NH2 2.85Å |
| 475 | N | 93.3 | Very high | 92.5 | Very high | 100 Ų | 100 | 14.3 Ų | 14.3 | 54% | 0.535 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | 39 | -179.1 | -61.2 | -34 | 0 | 0 | 0 | 111.9 | T471 I477 N502 | T471-N475 WeakPolarHBondContact O-CA 3.31Å; T471-N475 PolarHBondContact O-N 3.11Å; N475-I477 PolarHBondContact O-N 2.97Å; N475-N502 PolarHBondContact O-ND2 2.91Å |
| 476 | G | 93.1 | Very high | 92 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 128 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | G470 T471 G474 | G470-G476 CarbonylContact C-O 3.57Å; G470-G476 WeakPolarHBondContact CA-O 3.39Å; T471-G476 PolarHBondContact N-O 3.47Å; T471-G476 PolarHBondContact O-N 3.13Å; T471-G476 PolarHBondContact OG1-O 3.23Å; G474-G476 PolarHBondContact O-N 3.29Å; G474-G476 VanDerWaalsContact O-N 3.08Å |
| 477 | I | 95.2 | Very high | 91.4 | Very high | 35 Ų | 35 | 24.2 Ų | 24.2 | 18% | 0.179 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 121.9 | 169.7 | -53.5 | 178 | 0 | 0 | 0 | 106.7 | L427 I469 N475 R500 V501 N502 | L427-I477 HydrophobicContact CD1-CD1 4.03Å; L427-I477 HydrophobicContact CD1-CG1 4.19Å; L427-I477 HydrophobicContact CD1-CG2 3.54Å; I469-I477 CarbonylContact O-C 3.55Å; I469-I477 VanDerWaalsContact O-CA 3.3Å; I469-I477 WeakPolarHBondContact O-CA 3.49Å; N475-I477 PolarHBondContact O-N 2.97Å; I477-R500 CarbonylContact O-C 3.54Å; I477-R500 WeakPolarHBondContact O-CA 3.21Å; I477-R500 WeakPolarHBondContact O-CG 3.47Å; I477-V501 HydrophobicContact CB-CG2 3.57Å; I477-V501 HydrophobicContact CG2-CG2 3.3Å; I477-V501 WeakPolarHBondContact O-CG2 2.98Å; I477-V501 PolarHBondContact O-N 2.03Å; I477-N502 HydrophobicContact CB-CB 4.4Å; I477-N502 HydrophobicContact CD1-CB 4.31Å; I477-N502 HydrophobicContact CG1-CB 4.37Å; I477-N502 PolarHBondContact N-OD1 2.9Å |
| 478 | F | 94.3 | Very high | 91 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.009 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 135.3 | -178.2 | -64.9 | -82.3 | 0 | 0 | 0 | 110.8 | L407 L421 K468 I469 T471 L498 F499 R500 Q520 L521 | L407-F478 HydrophobicContact CD1-CD1 4.49Å; L407-F478 HydrophobicContact CD1-CD2 4.03Å; L407-F478 HydrophobicContact CD1-CE2 4.3Å; L407-F478 HydrophobicContact CD1-CG 4.12Å; L407-F478 HydrophobicContact CD2-CD1 4.47Å; L407-F478 HydrophobicContact CD2-CE1 4.41Å; L421-F478 HydrophobicContact CD1-CE2 3.97Å; L421-F478 HydrophobicContact CD1-CZ 4.14Å; K468-F478 CarbonylContact C-O 3.57Å; K468-F478 VanDerWaalsContact CA-O 3.27Å; K468-F478 WeakPolarHBondContact CA-O 3.16Å; I469-F478 HydrophobicContact CG1-CB 4Å; I469-F478 PolarHBondContact N-O 2.8Å; I469-F478 PolarHBondContact O-N 3.11Å; T471-F478 HydrophobicContact CG2-CD2 3.76Å; T471-F478 HydrophobicContact CG2-CE2 4.02Å; T471-F478 VanDerWaalsContact OG1-CE2 3.27Å; T471-F478 WeakPolarHBondContact OG1-CE2 3.25Å; F478-L498 HydrophobicContact CB-CD2 4.27Å; F478-L498 HydrophobicContact CD1-CD2 3.71Å; F478-L498 HydrophobicContact CE1-CD2 4.48Å; F478-L498 HydrophobicContact CG-CD2 4.3Å; F478-F499 CarbonylContact C-O 3.53Å; F478-F499 VanDerWaalsContact CA-O 3.26Å; F478-F499 WeakPolarHBondContact CA-O 3.27Å; F478-R500 HydrophobicContact CD1-CB 3.92Å; F478-R500 HydrophobicContact CD1-CG 4.42Å; F478-R500 HydrophobicContact CE1-CB 3.65Å; F478-R500 HydrophobicContact CE1-CG 4.07Å; F478-R500 HydrophobicContact CZ-CB 4.43Å; F478-R500 HydrophobicContact CZ-CG 4.4Å; F478-Q520 WeakPolarHBondContact CE1-O 3.45Å; F478-L521 HydrophobicContact CD1-CD2 4.13Å; F478-L521 HydrophobicContact CE1-CD2 3.66Å |
| 479 | E | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 134.2 | 169.6 | -172 | 177.1 | 103.1 | 0 | 0 | 109.3 | R300 H379 K466 L467 K468 L498 F499 V501 | R300-E479 IonicContact NH2-OE1 3.84Å; H379-E479 IonicContact CE1-OE1 3.2Å; H379-E479 PolarHBondContact CE1-OE1 3.06Å; H379-E479 IonicContact NE2-OE1 2.89Å; H379-E479 PolarHBondContact NE2-OE1 3.21Å; K466-E479 WeakPolarHBondContact CE-OE1 3.23Å; K466-E479 WeakPolarHBondContact CE-OE2 3.36Å; K466-E479 VanDerWaalsContact NZ-CD 3.27Å; K466-E479 IonicContact NZ-OE1 3.03Å; K466-E479 PolarHBondContact NZ-OE1 3.21Å; K466-E479 IonicContact NZ-OE2 2.85Å; K466-E479 PolarHBondContact NZ-OE2 2.97Å; L467-E479 VanDerWaalsContact O-CA 3.3Å; L467-E479 WeakPolarHBondContact O-CA 3.37Å; K468-E479 WeakPolarHBondContact CE-OE2 3.23Å; K468-E479 HydrophobicContact CG-CB 4.16Å; K468-E479 HydrophobicContact CG-CG 4.07Å; K468-E479 IonicContact NZ-OE2 2.69Å; E479-L498 WeakPolarHBondContact O-CA 3.45Å; E479-F499 PolarHBondContact N-O 2.78Å; E479-F499 PolarHBondContact O-N 3.17Å; E479-V501 HydrophobicContact CB-CG1 3.5Å |
| 480 | A | 92.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 150.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V403 K466 L467 V482 L498 | V403-A480 HydrophobicContact CG1-CB 4.15Å; V403-A480 HydrophobicContact CG2-CB 4.36Å; K466-A480 WeakPolarHBondContact CA-O 3.27Å; L467-A480 HydrophobicContact CD1-CB 4.02Å; L467-A480 PolarHBondContact N-O 2.62Å; L467-A480 PolarHBondContact O-N 2.69Å; A480-V482 HydrophobicContact CB-CG2 4.47Å; A480-L498 HydrophobicContact CB-CB 4.47Å; A480-L498 HydrophobicContact CB-CD1 4.3Å; A480-L498 HydrophobicContact CB-CG 4.08Å |
| 481 | T | 89.8 | Confident | 89.4 | Confident | 10 Ų | 10 | 44 Ų | 44 | 6% | 0.061 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125 | 164.7 | -58.1 | 0 | 0 | 0 | 0 | 108.5 | H379 W386 Y465 | H379-T481 PolarHBondContact ND1-OG1 2.74Å; W386-T481 HydrophobicContact CH2-CG2 4.17Å; Y465-T481 CarbonylContact O-C 3.56Å; Y465-T481 WeakPolarHBondContact O-CA 3.16Å |
| 482 | V | 90.9 | Very high | 89 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 132.9 | -176.1 | -175.8 | 0 | 0 | 0 | 0 | 109.1 | V399 V403 Y465 L467 A480 V484 L491 I493 | V399-V482 HydrophobicContact CG1-CB 3.89Å; V399-V482 HydrophobicContact CG1-CG1 3.95Å; V399-V482 HydrophobicContact CG1-CG2 3.8Å; V403-V482 HydrophobicContact CG2-CG2 3.7Å; Y465-V482 PolarHBondContact N-O 3.2Å; Y465-V482 PolarHBondContact O-N 3.21Å; L467-V482 HydrophobicContact CD2-CG2 4.06Å; A480-V482 HydrophobicContact CB-CG2 4.47Å; V482-V484 HydrophobicContact CG1-CG2 4.44Å; V482-L491 HydrophobicContact CG1-CB 4.17Å; V482-L491 HydrophobicContact CG1-CD2 4.02Å; V482-I493 HydrophobicContact CG1-CG1 3.84Å; V482-I493 HydrophobicContact CG2-CG1 4.06Å |
| 483 | V | 88.5 | Confident | 88.7 | Confident | 9 Ų | 9 | 46.2 Ų | 46.2 | 6% | 0.055 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 121.5 | 172.5 | -169.1 | 0 | 0 | 0 | 0 | 108 | F441 Y462 L464 L491 H492 | F441-V483 HydrophobicContact CD2-CB 4.46Å; F441-V483 HydrophobicContact CD2-CG1 4.32Å; F441-V483 HydrophobicContact CD2-CG2 3.85Å; F441-V483 HydrophobicContact CE2-CB 4.24Å; F441-V483 HydrophobicContact CE2-CG2 3.63Å; F441-V483 HydrophobicContact CZ-CG2 4.42Å; Y462-V483 HydrophobicContact CD1-CG1 3.83Å; Y462-V483 HydrophobicContact CG-CG1 4.18Å; L464-V483 HydrophobicContact CD2-CB 4.13Å; L464-V483 HydrophobicContact CD2-CG1 4.01Å; L464-V483 HydrophobicContact CD2-CG2 3.57Å; V483-L491 WeakPolarHBondContact O-CA 3.25Å; V483-H492 HydrophobicContact CB-CB 4.2Å; V483-H492 PolarHBondContact N-O 2.78Å; V483-H492 PolarHBondContact O-N 3.24Å |
| 484 | V | 87.7 | Confident | 88.2 | Confident | 9 Ų | 9 | 48.8 Ų | 48.8 | 6% | 0.055 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 117.4 | 176.7 | -179.9 | 0 | 0 | 0 | 0 | 107.6 | M395 V399 Y462 Q463 Y465 V482 E486 L491 | M395-V484 HydrophobicContact CE-CB 4.2Å; M395-V484 HydrophobicContact CE-CG1 3.58Å; M395-V484 HydrophobicContact CE-CG2 3.63Å; V399-V484 HydrophobicContact CG2-CG2 4.42Å; Y462-V484 CarbonylContact C-O 3.58Å; Y462-V484 WeakPolarHBondContact CA-O 3.18Å; Q463-V484 HydrophobicContact CB-CB 4.44Å; Q463-V484 PolarHBondContact N-O 2.04Å; Q463-V484 PolarHBondContact O-N 2.95Å; Y465-V484 HydrophobicContact CD2-CB 4.31Å; Y465-V484 HydrophobicContact CD2-CG2 3.5Å; Y465-V484 VanDerWaalsContact CD2-CG2 3.5Å; Y465-V484 HydrophobicContact CE2-CB 4.27Å; Y465-V484 HydrophobicContact CE2-CG2 3.77Å; V482-V484 HydrophobicContact CG1-CG2 4.44Å; V484-E486 HydrophobicContact CG1-CG 4.44Å; V484-E486 PolarHBondContact O-N 2.99Å; V484-L491 HydrophobicContact CG2-CD2 4.13Å; V484-L491 HydrophobicContact CG2-CG 4.21Å |
| 485 | D | 85.8 | Confident | 88 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.011 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 104.7 | 167.1 | -175.4 | -23.2 | 0 | 0 | 0 | 108.2 | R461 Y462 L487 E488 K489 K490 | R461-D485 WeakPolarHBondContact CG-OD1 3.21Å; R461-D485 IonicContact CZ-OD2 2.73Å; R461-D485 VanDerWaalsContact NE-CG 3.26Å; R461-D485 IonicContact NE-OD1 3.85Å; R461-D485 PolarHBondContact NE-OD1 3.16Å; R461-D485 VanDerWaalsContact NE-OD1 3.11Å; R461-D485 IonicContact NE-OD2 3.11Å; R461-D485 PolarHBondContact NE-OD2 2.75Å; R461-D485 IonicContact NH2-OD2 2.85Å; R461-D485 PolarHBondContact NH2-OD2 3.27Å; Y462-D485 HydrophobicContact CD1-CB 4.01Å; Y462-D485 HydrophobicContact CE1-CB 3.85Å; D485-L487 VanDerWaalsContact C-N 3.3Å; D485-L487 PolarHBondContact O-N 3.47Å; D485-L487 PolarHBondContact OD1-N 3.01Å; D485-E488 HydrophobicContact CB-CB 4.29Å; D485-E488 PolarHBondContact OD1-N 3.02Å; D485-E488 WeakPolarHBondContact OD2-CB 3.31Å; D485-E488 VanDerWaalsContact OD2-CG 3.26Å; D485-E488 WeakPolarHBondContact OD2-CG 3.49Å; D485-K489 VanDerWaalsContact O-CA 3.25Å; D485-K489 WeakPolarHBondContact O-CA 3.48Å; D485-K489 PolarHBondContact O-N 2.94Å; D485-K490 HydrophobicContact CB-CB 4.35Å; D485-K490 PolarHBondContact N-O 2.95Å; D485-K490 PolarHBondContact O-N 3.04Å |
| 486 | E | 79.7 | Confident | 87.3 | Confident | 106 Ų | 106 | 49.6 Ų | 49.6 | 50% | 0.495 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -28 | -176.6 | -62.5 | -162.9 | 160.6 | 0 | 0 | 112.4 | R461 Q463 V484 | R461-E486 PolarHBondContact O-N 3.24Å; Q463-E486 HydrophobicContact CB-CG 4.44Å; V484-E486 HydrophobicContact CG1-CG 4.44Å; V484-E486 PolarHBondContact O-N 2.99Å |
| 487 | L | 78 | Confident | 86.6 | Confident | 129 Ų | 129 | 50.7 Ų | 50.7 | 68% | 0.675 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -49.8 | -179.3 | -65.8 | -179.9 | 0 | 0 | 0 | 111.3 | R461 D485 K489 | R461-L487 HydrophobicContact CB-CD1 4.07Å; R461-L487 HydrophobicContact CB-CG 4.38Å; R461-L487 HydrophobicContact CG-CB 4.22Å; R461-L487 HydrophobicContact CG-CD1 3.82Å; R461-L487 HydrophobicContact CG-CG 3.98Å; D485-L487 VanDerWaalsContact C-N 3.3Å; D485-L487 PolarHBondContact O-N 3.47Å; D485-L487 PolarHBondContact OD1-N 3.01Å; L487-K489 VanDerWaalsContact C-N 3.26Å; L487-K489 PolarHBondContact O-N 3.3Å |
| 488 | E | 83.6 | Confident | 86.3 | Confident | 99 Ų | 99 | 49 Ų | 49 | 46% | 0.463 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -10 | 179.5 | -69 | -72.3 | 133.2 | 0 | 0 | 112.9 | R461 D485 K490 | R461-E488 VanDerWaalsContact NH2-CG 3.31Å; D485-E488 HydrophobicContact CB-CB 4.29Å; D485-E488 PolarHBondContact OD1-N 3.02Å; D485-E488 WeakPolarHBondContact OD2-CB 3.31Å; D485-E488 VanDerWaalsContact OD2-CG 3.26Å; D485-E488 WeakPolarHBondContact OD2-CG 3.49Å; E488-K490 HydrophobicContact CB-CB 4.2Å; E488-K490 HydrophobicContact CB-CD 3.84Å; E488-K490 HydrophobicContact CB-CG 3.95Å; E488-K490 PolarHBondContact O-N 3.02Å; E488-K490 IonicContact OE2-NZ 2.86Å; E488-K490 PolarHBondContact OE2-NZ 3.44Å |
| 489 | K | 80.3 | Confident | 85.9 | Confident | 184 Ų | 184 | 49.1 Ų | 49.1 | 80% | 0.8 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 39.7 | -171.7 | -56.5 | -179.6 | 179.5 | 178.8 | 0 | 111.7 | D485 L487 | D485-K489 VanDerWaalsContact O-CA 3.25Å; D485-K489 WeakPolarHBondContact O-CA 3.48Å; D485-K489 PolarHBondContact O-N 2.94Å; L487-K489 VanDerWaalsContact C-N 3.26Å; L487-K489 PolarHBondContact O-N 3.3Å |
| 490 | K | 85.2 | Confident | 85.7 | Confident | 106 Ų | 106 | 49.5 Ų | 49.5 | 46% | 0.461 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 148.1 | -179.5 | -73.3 | 174.1 | -174.8 | 149.7 | 0 | 110.3 | D485 E488 | D485-K490 HydrophobicContact CB-CB 4.35Å; D485-K490 PolarHBondContact N-O 2.95Å; D485-K490 PolarHBondContact O-N 3.04Å; E488-K490 HydrophobicContact CB-CB 4.2Å; E488-K490 HydrophobicContact CB-CD 3.84Å; E488-K490 HydrophobicContact CB-CG 3.95Å; E488-K490 PolarHBondContact O-N 3.02Å; E488-K490 IonicContact OE2-NZ 2.86Å; E488-K490 PolarHBondContact OE2-NZ 3.44Å |
| 491 | L | 88.7 | Confident | 85.5 | Confident | 38 Ų | 38 | 49.4 Ų | 49.4 | 20% | 0.199 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 128.3 | 173.1 | -67.4 | 87.7 | 0 | 0 | 0 | 108.2 | F398 V399 Q402 V482 V483 V484 | F398-L491 HydrophobicContact CD1-CD1 4.42Å; F398-L491 HydrophobicContact CD1-CD2 4.43Å; F398-L491 HydrophobicContact CE1-CD1 3.37Å; F398-L491 HydrophobicContact CE1-CD2 4.09Å; F398-L491 HydrophobicContact CE1-CG 4.36Å; F398-L491 HydrophobicContact CZ-CD1 3.75Å; V399-L491 HydrophobicContact CB-CD2 4.32Å; V399-L491 HydrophobicContact CG1-CD2 4.14Å; V399-L491 HydrophobicContact CG2-CD2 3.87Å; Q402-L491 HydrophobicContact CB-CD2 4.34Å; Q402-L491 HydrophobicContact CG-CD2 4.23Å; V482-L491 HydrophobicContact CG1-CB 4.17Å; V482-L491 HydrophobicContact CG1-CD2 4.02Å; V483-L491 WeakPolarHBondContact O-CA 3.25Å; V484-L491 HydrophobicContact CG2-CD2 4.13Å; V484-L491 HydrophobicContact CG2-CG 4.21Å |
| 492 | H | 88.5 | Confident | 85.4 | Confident | 57 Ų | 57 | 50.7 Ų | 50.7 | 26% | 0.264 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 113.8 | 173.3 | -56 | -88.2 | 0 | 0 | 0 | 108.2 | F441 V483 | F441-H492 HydrophobicContact CE1-CB 4.26Å; F441-H492 AromaticContact CE1-CG 3.93Å; F441-H492 HydrophobicContact CZ-CB 3.73Å; F441-H492 AromaticContact CZ-CG 3.92Å; V483-H492 HydrophobicContact CB-CB 4.2Å; V483-H492 PolarHBondContact N-O 2.78Å; V483-H492 PolarHBondContact O-N 3.24Å |
| 493 | I | 89.3 | Confident | 84.9 | Confident | 41 Ų | 41 | 56.9 Ų | 56.9 | 21% | 0.21 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 108.7 | 176.9 | -57.1 | 174.3 | 0 | 0 | 0 | 106.7 | Q402 V403 A406 V482 M495 | Q402-I493 HydrophobicContact CB-CD1 4.1Å; V403-I493 HydrophobicContact CG2-CD1 3.99Å; A406-I493 HydrophobicContact CB-CD1 4.01Å; A406-I493 HydrophobicContact CB-CG2 4.18Å; V482-I493 HydrophobicContact CG1-CG1 3.84Å; V482-I493 HydrophobicContact CG2-CG1 4.06Å; I493-M495 HydrophobicContact CG2-SD 4.26Å; I493-M495 PolarHBondContact O-N 3.4Å |
| 494 | D | 85.4 | Confident | 84.9 | Confident | 74 Ų | 74 | 57.9 Ų | 57.9 | 40% | 0.396 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 111.9 | 170.4 | -174.2 | -7.8 | 0 | 0 | 0 | 109.1 | N496 L497 | D494-N496 PolarHBondContact O-N 3.37Å; D494-N496 VanDerWaalsContact OD1-CB 3.3Å; D494-N496 WeakPolarHBondContact OD1-CB 3.4Å; D494-N496 PolarHBondContact OD1-N 2.9Å; D494-N496 PolarHBondContact OD1-ND2 3.16Å; D494-L497 HydrophobicContact CB-CB 4.32Å; D494-L497 HydrophobicContact CB-CD1 4.17Å; D494-L497 HydrophobicContact CB-CG 4.11Å; D494-L497 PolarHBondContact O-N 2.92Å |
| 495 | M | 86.1 | Confident | 84.7 | Confident | 44 Ų | 44 | 58.9 Ų | 58.9 | 22% | 0.217 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | -18.2 | 179.2 | -67.9 | -57.7 | -55.1 | 0 | 0 | 113.1 | A406 L407 R410 I493 L497 L498 L521 | A406-M495 HydrophobicContact CB-SD 3.78Å; L407-M495 HydrophobicContact CD2-CE 4.24Å; R410-M495 HydrophobicContact CB-CE 3.88Å; R410-M495 HydrophobicContact CG-CE 4.14Å; I493-M495 HydrophobicContact CG2-SD 4.26Å; I493-M495 PolarHBondContact O-N 3.4Å; M495-L497 VanDerWaalsContact C-N 3.25Å; M495-L498 HydrophobicContact CE-CD1 4.08Å; M495-L498 HydrophobicContact SD-CD1 4.24Å; M495-L521 HydrophobicContact CE-CD1 4.08Å |
| 496 | N | 77.4 | Confident | 84.9 | Confident | 95 Ų | 95 | 63.6 Ų | 63.6 | 51% | 0.508 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | -13.2 | 173.6 | -59.2 | -49.8 | 0 | 0 | 0 | 112.6 | D494 F499 | D494-N496 PolarHBondContact O-N 3.37Å; D494-N496 VanDerWaalsContact OD1-CB 3.3Å; D494-N496 WeakPolarHBondContact OD1-CB 3.4Å; D494-N496 PolarHBondContact OD1-N 2.9Å; D494-N496 PolarHBondContact OD1-ND2 3.16Å; N496-F499 WeakPolarHBondContact O-CZ 3.26Å |
| 497 | L | 79.3 | Confident | 85.4 | Confident | 24 Ų | 24 | 59.9 Ų | 59.9 | 13% | 0.126 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 20 | 177.9 | -56.1 | -177.5 | 0 | 0 | 0 | 112.4 | P377 H379 D494 M495 F499 | P377-L497 HydrophobicContact CB-CD1 4.28Å; P377-L497 HydrophobicContact CB-CD2 3.86Å; P377-L497 HydrophobicContact CG-CD2 4.49Å; H379-L497 HydrophobicContact CB-CB 4.05Å; H379-L497 HydrophobicContact CB-CD1 4.05Å; H379-L497 HydrophobicContact CB-CD2 4.03Å; H379-L497 HydrophobicContact CB-CG 4.27Å; D494-L497 HydrophobicContact CB-CB 4.32Å; D494-L497 HydrophobicContact CB-CD1 4.17Å; D494-L497 HydrophobicContact CB-CG 4.11Å; D494-L497 PolarHBondContact O-N 2.92Å; M495-L497 VanDerWaalsContact C-N 3.25Å; L497-F499 VanDerWaalsContact CA-CE2 3.48Å; L497-F499 HydrophobicContact CB-CE2 4.49Å |
| 498 | L | 88.1 | Confident | 86.1 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 121.6 | 175.5 | -169.1 | 162.7 | 0 | 0 | 0 | 109.1 | V403 L407 F478 E479 A480 M495 Q520 L521 | V403-L498 HydrophobicContact CG1-CD1 3.73Å; L407-L498 HydrophobicContact CD2-CD1 3.95Å; L407-L498 HydrophobicContact CD2-CD2 3.52Å; L407-L498 HydrophobicContact CD2-CG 4.43Å; L407-L498 HydrophobicContact CG-CD1 3.94Å; L407-L498 HydrophobicContact CG-CD2 4.25Å; F478-L498 HydrophobicContact CB-CD2 4.27Å; F478-L498 HydrophobicContact CD1-CD2 3.71Å; F478-L498 HydrophobicContact CE1-CD2 4.48Å; F478-L498 HydrophobicContact CG-CD2 4.3Å; E479-L498 WeakPolarHBondContact O-CA 3.45Å; A480-L498 HydrophobicContact CB-CB 4.47Å; A480-L498 HydrophobicContact CB-CD1 4.3Å; A480-L498 HydrophobicContact CB-CG 4.08Å; M495-L498 HydrophobicContact CE-CD1 4.08Å; M495-L498 HydrophobicContact SD-CD1 4.24Å; L498-Q520 PolarHBondContact O-NE2 3.01Å; L498-L521 HydrophobicContact CD2-CD2 3.72Å |
| 499 | F | 86.7 | Confident | 86.5 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 145.9 | -172.7 | -52.3 | -79.9 | 0 | 0 | 0 | 112.2 | D94 H379 W380 F478 E479 N496 L497 | D94-F499 HydrophobicContact CB-CD1 4.05Å; D94-F499 HydrophobicContact CB-CE1 3.71Å; D94-F499 HydrophobicContact CB-CZ 4.22Å; D94-F499 WeakPolarHBondContact OD2-CD1 3.38Å; H379-F499 AromaticContact CD2-CE2 3.64Å; H379-F499 AromaticContact CE1-CD2 3.99Å; H379-F499 AromaticContact NE2-CD2 3.57Å; H379-F499 AromaticContact NE2-CE2 3.6Å; W380-F499 HydrophobicContact CZ2-CD2 4.18Å; W380-F499 HydrophobicContact CZ2-CE1 4.36Å; W380-F499 AromaticContact CZ2-CE2 3.6Å; W380-F499 HydrophobicContact CZ2-CE2 3.6Å; W380-F499 AromaticContact CZ2-CZ 3.7Å; W380-F499 HydrophobicContact CZ2-CZ 3.7Å; F478-F499 CarbonylContact C-O 3.53Å; F478-F499 VanDerWaalsContact CA-O 3.26Å; F478-F499 WeakPolarHBondContact CA-O 3.27Å; E479-F499 PolarHBondContact N-O 2.78Å; E479-F499 PolarHBondContact O-N 3.17Å; N496-F499 WeakPolarHBondContact O-CZ 3.26Å; L497-F499 VanDerWaalsContact CA-CE2 3.48Å; L497-F499 HydrophobicContact CB-CE2 4.49Å |
| 500 | R | 89.1 | Confident | 87.2 | Confident | 7 Ų | 7 | 45 Ų | 45 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 128.2 | 167.1 | -172.4 | 173.7 | 171.4 | 164.6 | 1 | 109.5 | G474 I477 F478 N502 Q520 | G474-R500 PolarHBondContact O-NH2 2.85Å; I477-R500 CarbonylContact O-C 3.54Å; I477-R500 WeakPolarHBondContact O-CA 3.21Å; I477-R500 WeakPolarHBondContact O-CG 3.47Å; F478-R500 HydrophobicContact CD1-CB 3.92Å; F478-R500 HydrophobicContact CD1-CG 4.42Å; F478-R500 HydrophobicContact CE1-CB 3.65Å; F478-R500 HydrophobicContact CE1-CG 4.07Å; F478-R500 HydrophobicContact CZ-CB 4.43Å; F478-R500 HydrophobicContact CZ-CG 4.4Å; R500-N502 WeakPolarHBondContact CG-O 3.45Å; R500-N502 WeakPolarHBondContact CG-OD1 3.41Å; R500-N502 PolarHBondContact NE-O 3.35Å; R500-N502 PolarHBondContact NE-OD1 2.98Å; R500-Q520 HydrophobicContact CB-CB 3.99Å; R500-Q520 WeakPolarHBondContact CB-O 3.21Å; R500-Q520 WeakPolarHBondContact CD-O 2.98Å |
| 501 | V | 87 | Confident | 87.5 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -100.3 | -17.4 | -171.6 | -51.2 | 0 | 0 | 0 | 0 | 115.3 | R290 I477 E479 | R290-V501 VanDerWaalsContact CZ-CB 3.44Å; R290-V501 VanDerWaalsContact NH1-CG1 3.34Å; I477-V501 HydrophobicContact CB-CG2 3.57Å; I477-V501 HydrophobicContact CG2-CG2 3.3Å; I477-V501 WeakPolarHBondContact O-CG2 2.98Å; I477-V501 PolarHBondContact O-N 2.03Å; E479-V501 HydrophobicContact CB-CG1 3.5Å | ||
| 502 | N | 87.3 | Confident | 87.4 | Confident | 36 Ų | 36 | 42.3 Ų | 42.3 | 19% | 0.193 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -103.1 | 152.6 | 171.4 | 68 | -31.4 | 0 | 0 | 0 | 111.5 | N475 I477 R500 Y504 | N475-N502 PolarHBondContact O-ND2 2.91Å; I477-N502 HydrophobicContact CB-CB 4.4Å; I477-N502 HydrophobicContact CD1-CB 4.31Å; I477-N502 HydrophobicContact CG1-CB 4.37Å; I477-N502 PolarHBondContact N-OD1 2.9Å; R500-N502 WeakPolarHBondContact CG-O 3.45Å; R500-N502 WeakPolarHBondContact CG-OD1 3.41Å; R500-N502 PolarHBondContact NE-O 3.35Å; R500-N502 PolarHBondContact NE-OD1 2.98Å; N502-Y504 PolarHBondContact O-N 2.86Å |
| 503 | F | 82.3 | Confident | 87.3 | Confident | 131 Ų | 131 | 47.3 Ų | 47.3 | 58% | 0.575 | 25% | 0.253 | S | S | * | . | trans | -57.9 | 136.5 | 177.4 | -172.7 | -109.9 | 0 | 0 | 0 | 111.2 | F286 | F286-F503 HydrophobicContact CD2-CD2 4.41Å; F286-F503 HydrophobicContact CG-CD2 4.49Å | ||
| 504 | Y | 86.6 | Confident | 87.2 | Confident | 29 Ų | 29 | 51 Ų | 51 | 11% | 0.114 | 27% | 0.267 | C | S | . | . | trans | -106.9 | -15.6 | -179.1 | 50.2 | -93.7 | 0 | 0 | 0 | 114.1 | F286 N502 T506 S507 S508 L519 Q520 | F286-Y504 HydrophobicContact CE1-CE1 4.46Å; F286-Y504 HydrophobicContact CZ-CD1 4.46Å; F286-Y504 AromaticContact CZ-CE1 3.91Å; F286-Y504 HydrophobicContact CZ-CE1 3.91Å; N502-Y504 PolarHBondContact O-N 2.86Å; Y504-T506 PolarHBondContact O-N 3.42Å; Y504-S507 WeakPolarHBondContact O-CB 3.46Å; Y504-S507 PolarHBondContact O-N 3.26Å; Y504-S507 PolarHBondContact O-OG 3.31Å; Y504-S508 WeakPolarHBondContact CD2-OG 3.48Å; Y504-L519 HydrophobicContact CE2-CB 4.19Å; Y504-Q520 HydrophobicContact CE1-CB 4.22Å | ||
| 505 | G | 84.3 | Confident | 87.3 | Confident | 31 Ų | 31 | 48.3 Ų | 48.3 | 32% | 0.32 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | 49.2 | -130.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S507 | G505-S507 VanDerWaalsContact C-N 3.26Å; G505-S507 PolarHBondContact O-N 2.87Å |
| 506 | T | 89.2 | Confident | 87.1 | Confident | 100 Ų | 100 | 47.3 Ų | 47.3 | 61% | 0.613 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -81.4 | -0.6 | 179.3 | 55.8 | 0 | 0 | 0 | 0 | 113.8 | Y504 S508 V509 Y527 | Y504-T506 PolarHBondContact O-N 3.42Å; T506-S508 PolarHBondContact O-N 3.33Å; T506-V509 WeakPolarHBondContact O-CB 3.28Å; T506-V509 WeakPolarHBondContact O-CG1 3.37Å; T506-V509 PolarHBondContact O-N 3.33Å; T506-V509 VanDerWaalsContact O-N 3.09Å; T506-Y527 WeakPolarHBondContact O-CE2 3.34Å; T506-Y527 PolarHBondContact O-OH 2.89Å |
| 507 | S | 91.1 | Very high | 87.3 | Confident | 29 Ų | 29 | 44.9 Ų | 44.9 | 20% | 0.203 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -60.7 | -19 | -173.9 | -51.2 | 0 | 0 | 0 | 0 | 113.8 | Y504 G505 F523 C524 | Y504-S507 WeakPolarHBondContact O-CB 3.46Å; Y504-S507 PolarHBondContact O-N 3.26Å; Y504-S507 PolarHBondContact O-OG 3.31Å; G505-S507 VanDerWaalsContact C-N 3.26Å; G505-S507 PolarHBondContact O-N 2.87Å; S507-F523 CarbonylContact O-C 3.57Å; S507-F523 WeakPolarHBondContact O-CA 3.43Å; S507-C524 PolarHBondContact O-N 3.47Å; S507-C524 PolarHBondContact O-SG 3.1Å |
| 508 | S | 92.9 | Very high | 87.8 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.014 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -116.7 | 12.1 | -179 | 57.6 | 0 | 0 | 0 | 0 | 113.9 | Y504 T506 C510 I511 L519 C522 C524 | Y504-S508 WeakPolarHBondContact CD2-OG 3.48Å; T506-S508 PolarHBondContact O-N 3.33Å; S508-C510 PolarHBondContact O-N 2.75Å; S508-I511 WeakPolarHBondContact O-CG2 3.2Å; S508-I511 PolarHBondContact O-N 3.35Å; S508-L519 WeakPolarHBondContact CB-O 3.5Å; S508-L519 WeakPolarHBondContact O-CD2 3.46Å; S508-L519 PolarHBondContact OG-O 2.81Å; S508-C522 VanDerWaalsContact CB-O 3.32Å; S508-C522 WeakPolarHBondContact CB-O 3.07Å; S508-C524 VanDerWaalsContact CA-SG 3.5Å |
| 509 | V | 91.9 | Very high | 87.9 | Confident | 65 Ų | 65 | 43.9 Ų | 43.9 | 39% | 0.394 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -55.6 | -32.4 | -174.1 | 70.4 | 0 | 0 | 0 | 0 | 113.9 | T506 I511 Q512 | T506-V509 WeakPolarHBondContact O-CB 3.28Å; T506-V509 WeakPolarHBondContact O-CG1 3.37Å; T506-V509 PolarHBondContact O-N 3.33Å; T506-V509 VanDerWaalsContact O-N 3.09Å; V509-I511 PolarHBondContact O-N 3.18Å; V509-Q512 VanDerWaalsContact O-CB 3.28Å; V509-Q512 WeakPolarHBondContact O-CB 3.05Å; V509-Q512 PolarHBondContact O-N 3.46Å |
| 510 | C | 94 | Very high | 88 | Confident | 31 Ų | 31 | 44.9 Ų | 44.9 | 21% | 0.209 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -60.4 | -25.6 | 178.2 | 59.5 | 0 | 0 | 0 | 0 | 114.4 | L417 S508 C524 | L417-C510 HydrophobicContact CB-CB 4.44Å; S508-C510 PolarHBondContact O-N 2.75Å; C510-C524 HydrophobicContact CB-CB 3.81Å; C510-C524 WeakPolarHBondContact CB-SG 3.34Å; C510-C524 PolarHBondContact N-SG 3.46Å; C510-C524 WeakPolarHBondContact SG-CA 3.24Å; C510-C524 WeakPolarHBondContact SG-CB 3.42Å; C510-C524 CovalentContact SG-SG 2.03Å; C510-C524 PolarHBondContact SG-SG 2.97Å |
| 511 | I | 91.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -98 | -8.5 | -178.7 | -153.6 | 65.2 | 0 | 0 | 0 | 113.1 | Y414 L417 S508 V509 E513 K514 D515 L518 L519 C522 | Y414-I511 HydrophobicContact CD1-CD1 3.64Å; Y414-I511 HydrophobicContact CD2-CD1 3.78Å; Y414-I511 HydrophobicContact CE1-CD1 4.25Å; Y414-I511 HydrophobicContact CE2-CD1 4.35Å; Y414-I511 HydrophobicContact CG-CD1 3.36Å; L417-I511 HydrophobicContact CD1-CD1 4.1Å; S508-I511 WeakPolarHBondContact O-CG2 3.2Å; S508-I511 PolarHBondContact O-N 3.35Å; V509-I511 PolarHBondContact O-N 3.18Å; I511-E513 VanDerWaalsContact C-N 3.26Å; I511-E513 PolarHBondContact O-N 3.37Å; I511-E513 VanDerWaalsContact O-N 3.16Å; I511-K514 HydrophobicContact CD1-CB 3.89Å; I511-K514 HydrophobicContact CG1-CB 4.49Å; I511-K514 PolarHBondContact O-N 2.76Å; I511-D515 HydrophobicContact CG1-CB 4.43Å; I511-D515 PolarHBondContact O-N 2.8Å; I511-L518 HydrophobicContact CD1-CD1 4.38Å; I511-L518 HydrophobicContact CG1-CB 3.81Å; I511-L518 HydrophobicContact CG1-CD1 4.16Å; I511-L518 HydrophobicContact CG2-CB 4.07Å; I511-L519 HydrophobicContact CG2-CD2 3.92Å; I511-L519 HydrophobicContact CG2-CG 4.29Å; I511-C522 HydrophobicContact CB-CB 4.2Å; I511-C522 HydrophobicContact CG2-CB 3.74Å |
| 512 | Q | 87.4 | Confident | 88.6 | Confident | 88 Ų | 88 | 44.9 Ų | 44.9 | 41% | 0.411 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -37.4 | -172.8 | -172.4 | 173.2 | -40.7 | 0 | 0 | 113.7 | Q118 V509 L519 | Q118-Q512 PolarHBondContact NE2-O 2.93Å; V509-Q512 VanDerWaalsContact O-CB 3.28Å; V509-Q512 WeakPolarHBondContact O-CB 3.05Å; V509-Q512 PolarHBondContact O-N 3.46Å; Q512-L519 HydrophobicContact CB-CD2 3.85Å; Q512-L519 HydrophobicContact CG-CD1 4.39Å; Q512-L519 HydrophobicContact CG-CD2 4.28Å |
| 513 | E | 85.1 | Confident | 89 | Confident | 162 Ų | 162 | 44.2 Ų | 44.2 | 76% | 0.757 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -8.7 | -179.9 | -61.5 | -172.9 | 167.7 | 0 | 0 | 113.5 | I511 | I511-E513 VanDerWaalsContact C-N 3.26Å; I511-E513 PolarHBondContact O-N 3.37Å; I511-E513 VanDerWaalsContact O-N 3.16Å |
| 514 | K | 87.6 | Confident | 89.7 | Confident | 119 Ų | 119 | 38 Ų | 38 | 52% | 0.517 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -53 | -171.4 | -60.3 | -61.3 | -174.4 | -174.5 | 0 | 113.3 | Y414 L417 I511 | Y414-K514 HydrophobicContact CD1-CB 4.21Å; Y414-K514 HydrophobicContact CE1-CB 3.73Å; Y414-K514 HydrophobicContact CE1-CG 4.45Å; Y414-K514 PolarHBondContact OH-O 3.06Å; L417-K514 HydrophobicContact CD1-CG 3.98Å; I511-K514 HydrophobicContact CD1-CB 3.89Å; I511-K514 HydrophobicContact CG1-CB 4.49Å; I511-K514 PolarHBondContact O-N 2.76Å |
| 515 | D | 87.5 | Confident | 90.1 | Very high | 17 Ų | 17 | 42 Ų | 42 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | trans | -149.9 | 105.4 | 175.1 | -171.9 | -17.9 | 0 | 0 | 0 | 109.7 | Q118 R410 Y414 I511 F517 L518 | Q118-D515 VanDerWaalsContact OE1-CA 3.29Å; R410-D515 IonicContact CZ-OD2 3.01Å; R410-D515 IonicContact NH2-OD2 2.75Å; R410-D515 PolarHBondContact NH2-OD2 3.09Å; Y414-D515 HydrophobicContact CE2-CB 3.67Å; I511-D515 HydrophobicContact CG1-CB 4.43Å; I511-D515 PolarHBondContact O-N 2.8Å; D515-F517 VanDerWaalsContact C-N 3.27Å; D515-F517 PolarHBondContact O-N 3.39Å; D515-F517 WeakPolarHBondContact OD1-CB 3.39Å; D515-F517 PolarHBondContact OD1-N 2.84Å; D515-L518 HydrophobicContact CB-CB 4.44Å; D515-L518 HydrophobicContact CB-CD1 3.91Å; D515-L518 HydrophobicContact CB-CG 3.92Å; D515-L518 WeakPolarHBondContact O-CB 3.34Å; D515-L518 PolarHBondContact O-N 3.15Å; D515-L518 VanDerWaalsContact O-N 3.14Å | ||
| 516 | F | 83.3 | Confident | 90.6 | Very high | 24 Ų | 24 | 45.8 Ų | 45.8 | 11% | 0.105 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -65.8 | -30.7 | -175 | -161.9 | -88.5 | 0 | 0 | 0 | 112.4 | F117 Q118 Y156 R157 L518 L519 | F117-F516 HydrophobicContact CE1-CD2 4.39Å; F117-F516 HydrophobicContact CZ-CD2 4.44Å; Q118-F516 VanDerWaalsContact CD-N 3.31Å; Y156-F516 HydrophobicContact CD1-CE1 4Å; Y156-F516 AromaticContact CD1-CZ 3.48Å; Y156-F516 HydrophobicContact CD1-CZ 3.48Å; Y156-F516 VanDerWaalsContact CD1-CZ 3.48Å; Y156-F516 HydrophobicContact CD2-CE2 4.22Å; Y156-F516 AromaticContact CD2-CZ 3.84Å; Y156-F516 HydrophobicContact CD2-CZ 3.84Å; Y156-F516 AromaticContact CE1-CE1 3.76Å; Y156-F516 HydrophobicContact CE1-CE1 3.76Å; Y156-F516 HydrophobicContact CE1-CE2 4.34Å; Y156-F516 AromaticContact CE1-CZ 3.24Å; Y156-F516 HydrophobicContact CE1-CZ 3.24Å; Y156-F516 AromaticContact CE2-CE2 3.94Å; Y156-F516 HydrophobicContact CE2-CE2 3.94Å; Y156-F516 AromaticContact CE2-CZ 3.6Å; Y156-F516 HydrophobicContact CE2-CZ 3.6Å; Y156-F516 HydrophobicContact CG-CE2 4.49Å; Y156-F516 AromaticContact CG-CZ 3.76Å; Y156-F516 HydrophobicContact CG-CZ 3.76Å; Y156-F516 AromaticContact CZ-CE2 3.99Å; Y156-F516 AromaticContact CZ-CZ 3.27Å; R157-F516 HydrophobicContact CB-CD1 3.66Å; R157-F516 HydrophobicContact CB-CD2 4.26Å; R157-F516 HydrophobicContact CB-CE1 3.6Å; R157-F516 HydrophobicContact CB-CE2 4.19Å; R157-F516 HydrophobicContact CB-CG 3.96Å; R157-F516 HydrophobicContact CB-CZ 3.8Å; R157-F516 HydrophobicContact CG-CE1 4.47Å; F516-L518 PolarHBondContact O-N 2.82Å; F516-L519 HydrophobicContact CD1-CD1 3.96Å; F516-L519 HydrophobicContact CD2-CD1 3.47Å; F516-L519 VanDerWaalsContact CD2-CD1 3.47Å; F516-L519 HydrophobicContact CD2-CG 4.49Å; F516-L519 HydrophobicContact CE1-CD1 3.93Å; F516-L519 HydrophobicContact CE2-CD1 3.47Å; F516-L519 VanDerWaalsContact CE2-CD1 3.47Å; F516-L519 HydrophobicContact CG-CD1 3.76Å; F516-L519 HydrophobicContact CZ-CD1 3.73Å; F516-L519 VanDerWaalsContact O-CB 3.27Å; F516-L519 WeakPolarHBondContact O-CB 3.47Å; F516-L519 WeakPolarHBondContact O-CG 3.48Å; F516-L519 PolarHBondContact O-N 2.77Å |
| 517 | F | 81.4 | Confident | 90.8 | Very high | 43 Ų | 43 | 45.9 Ų | 45.9 | 19% | 0.189 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -67.8 | -21.2 | 179.4 | -71.9 | -95.9 | 0 | 0 | 0 | 111.6 | R116 D515 L519 Q520 | R116-F517 HydrophobicContact CG-CE2 4.47Å; R116-F517 VanDerWaalsContact NH1-CE2 3.27Å; D515-F517 VanDerWaalsContact C-N 3.27Å; D515-F517 PolarHBondContact O-N 3.39Å; D515-F517 WeakPolarHBondContact OD1-CB 3.39Å; D515-F517 PolarHBondContact OD1-N 2.84Å; F517-L519 VanDerWaalsContact C-N 3.33Å; F517-Q520 WeakPolarHBondContact O-CG 3.32Å |
| 518 | L | 89.5 | Confident | 90.7 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -85 | -4.9 | 175.8 | -56.1 | -174.3 | 0 | 0 | 0 | 112.8 | R410 L411 Y414 I511 D515 F516 Q520 L521 C522 | R410-L518 HydrophobicContact CG-CD2 3.71Å; L411-L518 HydrophobicContact CD2-CB 4.45Å; L411-L518 HydrophobicContact CD2-CD1 4.35Å; L411-L518 HydrophobicContact CD2-CD2 4.36Å; Y414-L518 HydrophobicContact CD2-CD1 3.35Å; Y414-L518 HydrophobicContact CE2-CD1 3.69Å; Y414-L518 HydrophobicContact CG-CD1 4.4Å; I511-L518 HydrophobicContact CD1-CD1 4.38Å; I511-L518 HydrophobicContact CG1-CB 3.81Å; I511-L518 HydrophobicContact CG1-CD1 4.16Å; I511-L518 HydrophobicContact CG2-CB 4.07Å; D515-L518 HydrophobicContact CB-CB 4.44Å; D515-L518 HydrophobicContact CB-CD1 3.91Å; D515-L518 HydrophobicContact CB-CG 3.92Å; D515-L518 WeakPolarHBondContact O-CB 3.34Å; D515-L518 PolarHBondContact O-N 3.15Å; D515-L518 VanDerWaalsContact O-N 3.14Å; F516-L518 PolarHBondContact O-N 2.82Å; L518-Q520 PolarHBondContact O-N 2.79Å; L518-L521 HydrophobicContact CD2-CD1 4Å; L518-L521 PolarHBondContact O-N 3.14Å; L518-C522 WeakPolarHBondContact O-CB 3.31Å; L518-C522 PolarHBondContact O-N 2.96Å |
| 519 | L | 89.1 | Confident | 89.6 | Confident | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -39.3 | 176.8 | -79.6 | 175.2 | 0 | 0 | 0 | 112.5 | Y504 S508 I511 Q512 F516 F517 L521 | Y504-L519 HydrophobicContact CE2-CB 4.19Å; S508-L519 WeakPolarHBondContact CB-O 3.5Å; S508-L519 WeakPolarHBondContact O-CD2 3.46Å; S508-L519 PolarHBondContact OG-O 2.81Å; I511-L519 HydrophobicContact CG2-CD2 3.92Å; I511-L519 HydrophobicContact CG2-CG 4.29Å; Q512-L519 HydrophobicContact CB-CD2 3.85Å; Q512-L519 HydrophobicContact CG-CD1 4.39Å; Q512-L519 HydrophobicContact CG-CD2 4.28Å; F516-L519 HydrophobicContact CD1-CD1 3.96Å; F516-L519 HydrophobicContact CD2-CD1 3.47Å; F516-L519 VanDerWaalsContact CD2-CD1 3.47Å; F516-L519 HydrophobicContact CD2-CG 4.49Å; F516-L519 HydrophobicContact CE1-CD1 3.93Å; F516-L519 HydrophobicContact CE2-CD1 3.47Å; F516-L519 VanDerWaalsContact CE2-CD1 3.47Å; F516-L519 HydrophobicContact CG-CD1 3.76Å; F516-L519 HydrophobicContact CZ-CD1 3.73Å; F516-L519 VanDerWaalsContact O-CB 3.27Å; F516-L519 WeakPolarHBondContact O-CB 3.47Å; F516-L519 WeakPolarHBondContact O-CG 3.48Å; F516-L519 PolarHBondContact O-N 2.77Å; F517-L519 VanDerWaalsContact C-N 3.33Å; L519-L521 VanDerWaalsContact C-N 3.33Å |
| 520 | Q | 88.9 | Confident | 89.5 | Confident | 25 Ų | 25 | 57.7 Ų | 57.7 | 12% | 0.117 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -25.4 | 176 | 54.2 | 167.4 | 1.7 | 0 | 0 | 112.8 | F478 L498 R500 Y504 F517 L518 | F478-Q520 WeakPolarHBondContact CE1-O 3.45Å; L498-Q520 PolarHBondContact O-NE2 3.01Å; R500-Q520 HydrophobicContact CB-CB 3.99Å; R500-Q520 WeakPolarHBondContact CB-O 3.21Å; R500-Q520 WeakPolarHBondContact CD-O 2.98Å; Y504-Q520 HydrophobicContact CE1-CB 4.22Å; F517-Q520 WeakPolarHBondContact O-CG 3.32Å; L518-Q520 PolarHBondContact O-N 2.79Å |
| 521 | L | 93.5 | Very high | 89.3 | Confident | 6 Ų | 6 | 59.1 Ų | 59.1 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -35.6 | -172.4 | -51 | -171.3 | 0 | 0 | 0 | 113.3 | L407 R410 L411 F478 M495 L498 L518 L519 | L407-L521 HydrophobicContact CD2-CB 4.33Å; L407-L521 HydrophobicContact CD2-CD1 4Å; L407-L521 HydrophobicContact CD2-CD2 3.8Å; L407-L521 HydrophobicContact CD2-CG 4.25Å; R410-L521 HydrophobicContact CG-CD1 4.33Å; L411-L521 HydrophobicContact CD2-CB 4.03Å; F478-L521 HydrophobicContact CD1-CD2 4.13Å; F478-L521 HydrophobicContact CE1-CD2 3.66Å; M495-L521 HydrophobicContact CE-CD1 4.08Å; L498-L521 HydrophobicContact CD2-CD2 3.72Å; L518-L521 HydrophobicContact CD2-CD1 4Å; L518-L521 PolarHBondContact O-N 3.14Å; L519-L521 VanDerWaalsContact C-N 3.33Å |
| 522 | C | 95.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -75.7 | 139.2 | -169.9 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | L411 C418 S508 I511 L518 | L411-C522 HydrophobicContact CD2-CB 4.18Å; C418-C522 VanDerWaalsContact CA-SG 3.55Å; C418-C522 HydrophobicContact CB-CB 4.08Å; C418-C522 WeakPolarHBondContact CB-SG 3.34Å; C418-C522 WeakPolarHBondContact SG-CB 3.47Å; C418-C522 CovalentContact SG-SG 2.04Å; C418-C522 PolarHBondContact SG-SG 2.91Å; S508-C522 VanDerWaalsContact CB-O 3.32Å; S508-C522 WeakPolarHBondContact CB-O 3.07Å; I511-C522 HydrophobicContact CB-CB 4.2Å; I511-C522 HydrophobicContact CG2-CB 3.74Å; L518-C522 WeakPolarHBondContact O-CB 3.31Å; L518-C522 PolarHBondContact O-N 2.96Å | ||
| 523 | F | 96.3 | Very high | 89.2 | Confident | 23 Ų | 23 | 60.9 Ų | 60.9 | 10% | 0.101 | 29% | 0.293 | C | S | . | . | trans | -115.3 | 123.8 | 158.4 | -178.7 | -94.9 | 0 | 0 | 0 | 107.9 | C418 A419 L421 P473 S507 R525 Y527 L528 | C418-F523 CarbonylContact C-O 3.57Å; C418-F523 WeakPolarHBondContact CA-O 3.45Å; A419-F523 HydrophobicContact CB-CB 4.48Å; A419-F523 HydrophobicContact CB-CD1 4.04Å; A419-F523 WeakPolarHBondContact CB-O 3.35Å; A419-F523 PolarHBondContact N-O 3.23Å; L421-F523 HydrophobicContact CD2-CB 4.47Å; P473-F523 HydrophobicContact CB-CD1 3.74Å; P473-F523 HydrophobicContact CB-CE1 3.78Å; P473-F523 HydrophobicContact CB-CG 4.34Å; P473-F523 HydrophobicContact CB-CZ 4.41Å; P473-F523 HydrophobicContact CG-CB 4.4Å; P473-F523 HydrophobicContact CG-CD1 3.47Å; P473-F523 VanDerWaalsContact CG-CD1 3.47Å; P473-F523 HydrophobicContact CG-CE1 3.99Å; P473-F523 HydrophobicContact CG-CG 4.09Å; S507-F523 CarbonylContact O-C 3.57Å; S507-F523 WeakPolarHBondContact O-CA 3.43Å; F523-R525 PolarHBondContact O-N 2.85Å; F523-Y527 HydrophobicContact CZ-CD2 4.37Å; F523-Y527 HydrophobicContact CZ-CG 4.4Å; F523-L528 HydrophobicContact CD1-CD2 4.3Å; F523-L528 HydrophobicContact CD1-CG 4.48Å; F523-L528 HydrophobicContact CE1-CD2 3.69Å; F523-L528 HydrophobicContact CE1-CG 4.03Å | ||
| 524 | C | 96.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -70 | 128 | -173.9 | -63.5 | 0 | 0 | 0 | 0 | 111.4 | L417 S507 S508 C510 I526 Y527 | L417-C524 WeakPolarHBondContact O-CA 3.29Å; S507-C524 PolarHBondContact O-N 3.47Å; S507-C524 PolarHBondContact O-SG 3.1Å; S508-C524 VanDerWaalsContact CA-SG 3.5Å; C510-C524 HydrophobicContact CB-CB 3.81Å; C510-C524 WeakPolarHBondContact CB-SG 3.34Å; C510-C524 PolarHBondContact N-SG 3.46Å; C510-C524 WeakPolarHBondContact SG-CA 3.24Å; C510-C524 WeakPolarHBondContact SG-CB 3.42Å; C510-C524 CovalentContact SG-SG 2.03Å; C510-C524 PolarHBondContact SG-SG 2.97Å; C524-I526 HydrophobicContact CB-CD1 4.35Å; C524-I526 HydrophobicContact CB-CG1 3.86Å; C524-I526 PolarHBondContact O-N 3.25Å; C524-I526 VanDerWaalsContact O-N 3.15Å; C524-Y527 HydrophobicContact CB-CD2 3.74Å; C524-Y527 HydrophobicContact CB-CE2 3.84Å; C524-Y527 PolarHBondContact O-N 2.94Å; C524-Y527 VanDerWaalsContact O-N 3.09Å |
| 525 | R | 95.7 | Very high | 89.6 | Confident | 113 Ų | 113 | 50.3 Ų | 50.3 | 43% | 0.426 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -58.6 | -27.8 | 179.4 | -73.7 | -173.7 | 169.6 | -150.2 | 0.1 | 113.6 | G415 L417 C418 A419 F523 Y527 L528 | G415-R525 PolarHBondContact O-NE 2.86Å; G415-R525 PolarHBondContact O-NH1 3.47Å; G415-R525 PolarHBondContact O-NH2 3.23Å; L417-R525 PolarHBondContact O-N 3.31Å; C418-R525 PolarHBondContact O-NE 3.32Å; A419-R525 HydrophobicContact CB-CG 4.08Å; F523-R525 PolarHBondContact O-N 2.85Å; R525-Y527 PolarHBondContact O-N 2.8Å; R525-L528 WeakPolarHBondContact O-CB 3.37Å; R525-L528 PolarHBondContact O-N 3.13Å |
| 526 | I | 93.6 | Very high | 89.8 | Confident | 110 Ų | 110 | 52.6 Ų | 52.6 | 56% | 0.564 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -58.2 | -19.9 | 177.3 | 66.1 | 178.4 | 0 | 0 | 0 | 113.1 | C524 | C524-I526 HydrophobicContact CB-CD1 4.35Å; C524-I526 HydrophobicContact CB-CG1 3.86Å; C524-I526 PolarHBondContact O-N 3.25Å; C524-I526 VanDerWaalsContact O-N 3.15Å |
| 527 | Y | 93.1 | Very high | 90.3 | Very high | 102 Ų | 102 | 54.8 Ų | 54.8 | 40% | 0.4 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -92.4 | 4.5 | 176.7 | -59 | -54.9 | 0 | 0 | 0 | 113.8 | T506 F523 C524 R525 | T506-Y527 WeakPolarHBondContact O-CE2 3.34Å; T506-Y527 PolarHBondContact O-OH 2.89Å; F523-Y527 HydrophobicContact CZ-CD2 4.37Å; F523-Y527 HydrophobicContact CZ-CG 4.4Å; C524-Y527 HydrophobicContact CB-CD2 3.74Å; C524-Y527 HydrophobicContact CB-CE2 3.84Å; C524-Y527 PolarHBondContact O-N 2.94Å; C524-Y527 VanDerWaalsContact O-N 3.09Å; R525-Y527 PolarHBondContact O-N 2.8Å |
| 528 | L | 89.4 | Confident | 91 | Very high | 101 Ų | 101 | 55.8 Ų | 55.8 | 53% | 0.529 | 28% | 0.276 | S | S | . | . | trans | -95.8 | -4.8 | 175 | -63.6 | -179.3 | 0 | 0 | 0 | 113.8 | A419 P473 F523 R525 | A419-L528 HydrophobicContact CB-CD1 3.67Å; P473-L528 HydrophobicContact CB-CD2 3.55Å; P473-L528 HydrophobicContact CG-CD1 4.35Å; P473-L528 HydrophobicContact CG-CD2 3.81Å; F523-L528 HydrophobicContact CD1-CD2 4.3Å; F523-L528 HydrophobicContact CD1-CG 4.48Å; F523-L528 HydrophobicContact CE1-CD2 3.69Å; F523-L528 HydrophobicContact CE1-CG 4.03Å; R525-L528 WeakPolarHBondContact O-CB 3.37Å; R525-L528 PolarHBondContact O-N 3.13Å | ||
| 529 | V | 70.8 | Confident | 91.1 | Very high | 186 Ų | 186 | 60.9 Ų | 60.9 | 100% | 1.127 | 30% | 0.302 | S | S | * | . | trans | -89.8 | 0 | 174.5 | -168.9 | 0 | 0 | 0 | 0 | 108.1 |
Retrieved 529 of 529 residues in 641.2 ms
(Link to these results)