| 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 | 39.9 | Very low | 76.5 | Confident | 238 Ų | 238 | 100 Ų | 100 | 100% | 1.172 | 58% | 0.577 | S | S | * | * | 0 | 133.9 | 0 | -63.4 | 172.5 | -173.8 | 0 | 0 | 107.1 | T3 | M1-T3 PolarHBondContact O-N 3.35Š| |||
| 2 | A | 46.4 | Very low | 78.2 | Confident | 97 Ų | 97 | 92.4 Ų | 92.4 | 80% | 0.802 | 53% | 0.532 | S | S | * | . | trans | -74.9 | 112.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | V4 | A2-V4 PolarHBondContact O-N 3.04Å; A2-V4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | T | 53.5 | Low | 79.7 | Confident | 126 Ų | 126 | 88.4 Ų | 88.4 | 77% | 0.773 | 51% | 0.513 | S | S | * | . | trans | -67.4 | 105.2 | 170.4 | 41.5 | 0 | 0 | 0 | 0 | 108 | M1 L5 | M1-T3 PolarHBondContact O-N 3.35Å; T3-L5 PolarHBondContact O-N 3.05Å | ||
| 4 | V | 69.6 | Low | 80.8 | Confident | 137 Ų | 137 | 85.9 Ų | 85.9 | 83% | 0.83 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 118.4 | 170.4 | -178.9 | 0 | 0 | 0 | 0 | 107 | A2 | A2-V4 PolarHBondContact O-N 3.04Å; A2-V4 VanDerWaalsContact O-N 3.09Å |
| 5 | L | 79.2 | Confident | 81.8 | Confident | 144 Ų | 144 | 85.4 Ų | 85.4 | 75% | 0.754 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 137.3 | 173.6 | -69.7 | 171 | 0 | 0 | 0 | 108.4 | T3 | T3-L5 PolarHBondContact O-N 3.05Š|
| 6 | P | 83.9 | Confident | 82.5 | Confident | 61 Ų | 61 | 86.8 Ų | 86.8 | 40% | 0.396 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 140.6 | -179 | 27.4 | -35.1 | 0 | 0 | 0 | 110.4 | D10 L11 | P6-D10 HydrophobicContact CB-CB 4.48Å; P6-L11 HydrophobicContact CB-CD1 3.97Å; P6-L11 HydrophobicContact CB-CD2 4.3Å; P6-L11 HydrophobicContact CB-CG 4.03Å; P6-L11 HydrophobicContact CG-CD1 3.73Å; P6-L11 HydrophobicContact CG-CG 4.32Å |
| 7 | K | 91.3 | Very high | 82.9 | Confident | 72 Ų | 72 | 86.8 Ų | 86.8 | 31% | 0.313 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 160 | 172.6 | -64.6 | -167.5 | 168.6 | -127.4 | 0 | 110 | S9 D10 D80 E81 | K7-S9 PolarHBondContact O-N 3.17Å; K7-D10 WeakPolarHBondContact CB-OD2 3.43Å; K7-D10 PolarHBondContact N-OD2 2.66Å; K7-D10 WeakPolarHBondContact O-CB 3.19Å; K7-D10 PolarHBondContact O-N 2.87Å; K7-D80 IonicContact NZ-OD1 2.65Å; K7-D80 PolarHBondContact NZ-OD1 2.99Å; K7-E81 IonicContact NZ-OE1 3.5Å; K7-E81 PolarHBondContact NZ-OE1 3.46Å |
| 8 | F | 94.2 | Very high | 82.8 | Confident | 6 Ų | 6 | 86.3 Ų | 86.3 | 3% | 0.026 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -55.7 | -39.9 | 177.3 | -179 | -83 | 0 | 0 | 0 | 111.6 | D10 L11 Y12 L14 C29 A40 I78 Y85 V87 | F8-D10 PolarHBondContact O-N 3.35Å; F8-L11 PolarHBondContact O-N 2.95Å; F8-Y12 HydrophobicContact CD2-CD2 4.25Å; F8-Y12 VanDerWaalsContact CE1-CB 3.44Å; F8-Y12 HydrophobicContact CE1-CG 4.48Å; F8-Y12 HydrophobicContact CE2-CD2 4.03Å; F8-Y12 HydrophobicContact CE2-CG 4.04Å; F8-Y12 HydrophobicContact CZ-CD2 4.4Å; F8-Y12 AromaticContact CZ-CG 3.97Å; F8-Y12 HydrophobicContact CZ-CG 3.97Å; F8-Y12 PolarHBondContact O-N 2.59Å; F8-L14 HydrophobicContact CD1-CD2 4.42Å; F8-L14 HydrophobicContact CD1-CG 4.43Å; F8-L14 HydrophobicContact CE1-CD1 4.49Å; F8-L14 HydrophobicContact CE1-CD2 3.39Å; F8-L14 HydrophobicContact CE1-CG 3.64Å; F8-L14 HydrophobicContact CZ-CD2 3.54Å; F8-L14 HydrophobicContact CZ-CG 4.31Å; F8-C29 HydrophobicContact CZ-CB 3.97Å; F8-A40 HydrophobicContact CE2-CB 3.94Å; F8-A40 HydrophobicContact CZ-CB 3.88Å; F8-I78 HydrophobicContact CB-CG2 4.37Å; F8-I78 HydrophobicContact CD2-CD1 4.07Å; F8-Y85 HydrophobicContact CB-CD1 4.15Å; F8-Y85 HydrophobicContact CB-CD2 3.89Å; F8-Y85 HydrophobicContact CB-CE1 4.23Å; F8-Y85 HydrophobicContact CB-CE2 3.97Å; F8-Y85 HydrophobicContact CB-CG 4Å; F8-Y85 HydrophobicContact CD1-CD1 4.08Å; F8-Y85 HydrophobicContact CD1-CE1 4.01Å; F8-Y85 VanDerWaalsContact CD2-CB 3.48Å; F8-Y85 AromaticContact CD2-CD1 3.37Å; F8-Y85 HydrophobicContact CD2-CD1 3.37Å; F8-Y85 HydrophobicContact CD2-CD2 4.18Å; F8-Y85 HydrophobicContact CD2-CE1 4.11Å; F8-Y85 AromaticContact CD2-CG 3.42Å; F8-Y85 HydrophobicContact CD2-CG 3.42Å; F8-Y85 VanDerWaalsContact CD2-CG 3.42Å; F8-Y85 HydrophobicContact CE1-CD1 4.39Å; F8-Y85 HydrophobicContact CE1-CE1 4.47Å; F8-Y85 AromaticContact CE2-CD1 3.7Å; F8-Y85 HydrophobicContact CE2-CD1 3.7Å; F8-Y85 HydrophobicContact CE2-CG 4.08Å; F8-Y85 AromaticContact CG-CD1 3.57Å; F8-Y85 HydrophobicContact CG-CD1 3.57Å; F8-Y85 HydrophobicContact CG-CD2 4.19Å; F8-Y85 AromaticContact CG-CE1 3.83Å; F8-Y85 HydrophobicContact CG-CE1 3.83Å; F8-Y85 HydrophobicContact CG-CE2 4.42Å; F8-Y85 AromaticContact CG-CG 3.78Å; F8-Y85 HydrophobicContact CG-CG 3.78Å; F8-Y85 HydrophobicContact CZ-CD1 4.2Å; F8-V87 HydrophobicContact CD2-CG2 4.47Å; F8-V87 HydrophobicContact CE2-CG2 3.82Å |
| 9 | S | 93.7 | Very high | 82.3 | Confident | 72 Ų | 72 | 83.2 Ų | 83.2 | 50% | 0.503 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.2 | -26.7 | 177.4 | 50.1 | 0 | 0 | 0 | 0 | 114.7 | K7 L11 | K7-S9 PolarHBondContact O-N 3.17Å; S9-L11 VanDerWaalsContact C-N 3.3Å |
| 10 | D | 93.9 | Very high | 81.8 | Confident | 95 Ų | 95 | 87.1 Ų | 87.1 | 51% | 0.508 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -83.4 | -16.1 | -174.3 | -48.1 | -19.6 | 0 | 0 | 0 | 111 | P6 K7 F8 | P6-D10 HydrophobicContact CB-CB 4.48Å; K7-D10 WeakPolarHBondContact CB-OD2 3.43Å; K7-D10 PolarHBondContact N-OD2 2.66Å; K7-D10 WeakPolarHBondContact O-CB 3.19Å; K7-D10 PolarHBondContact O-N 2.87Å; F8-D10 PolarHBondContact O-N 3.35Å |
| 11 | L | 95.7 | Very high | 81 | Confident | 52 Ų | 52 | 84.5 Ų | 84.5 | 27% | 0.272 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -117.7 | -29.2 | -175.5 | -61.2 | -180 | 0 | 0 | 0 | 113.4 | P6 F8 S9 Q31 L32 I78 | P6-L11 HydrophobicContact CB-CD1 3.97Å; P6-L11 HydrophobicContact CB-CD2 4.3Å; P6-L11 HydrophobicContact CB-CG 4.03Å; P6-L11 HydrophobicContact CG-CD1 3.73Å; P6-L11 HydrophobicContact CG-CG 4.32Å; F8-L11 PolarHBondContact O-N 2.95Å; S9-L11 VanDerWaalsContact C-N 3.3Å; L11-Q31 WeakPolarHBondContact O-CA 3.44Å; L11-L32 PolarHBondContact O-N 3.3Å; L11-I78 HydrophobicContact CD1-CD1 3.98Å |
| 12 | Y | 97.4 | Very high | 81.9 | Confident | 9 Ų | 9 | 75.4 Ų | 75.4 | 4% | 0.035 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 140.1 | -169.6 | -66.4 | -87.3 | 0 | 0 | 0 | 113.7 | F8 I30 Q31 F38 D76 I78 V87 | F8-Y12 HydrophobicContact CD2-CD2 4.25Å; F8-Y12 VanDerWaalsContact CE1-CB 3.44Å; F8-Y12 HydrophobicContact CE1-CG 4.48Å; F8-Y12 HydrophobicContact CE2-CD2 4.03Å; F8-Y12 HydrophobicContact CE2-CG 4.04Å; F8-Y12 HydrophobicContact CZ-CD2 4.4Å; F8-Y12 AromaticContact CZ-CG 3.97Å; F8-Y12 HydrophobicContact CZ-CG 3.97Å; F8-Y12 PolarHBondContact O-N 2.59Å; Y12-I30 CarbonylContact C-O 3.57Å; Y12-I30 WeakPolarHBondContact CA-O 3.5Å; Y12-Q31 HydrophobicContact CD1-CB 3.87Å; Y12-Q31 HydrophobicContact CD1-CG 4.36Å; Y12-Q31 HydrophobicContact CE1-CB 3.57Å; Y12-Q31 HydrophobicContact CE1-CG 3.88Å; Y12-Q31 PolarHBondContact OH-NE2 3.15Å; Y12-F38 HydrophobicContact CD1-CD2 4.48Å; Y12-F38 AromaticContact CE1-CD2 3.81Å; Y12-F38 HydrophobicContact CE1-CD2 3.81Å; Y12-F38 HydrophobicContact CE1-CE2 4.18Å; Y12-F38 HydrophobicContact CE1-CG 4.47Å; Y12-D76 HydrophobicContact CE2-CB 4.46Å; Y12-I78 HydrophobicContact CD2-CD1 4.11Å; Y12-I78 HydrophobicContact CE2-CD1 4Å; Y12-V87 HydrophobicContact CE1-CG1 3.83Å; Y12-V87 HydrophobicContact CE2-CG2 4.31Å |
| 13 | S | 96.9 | Very high | 83 | Confident | 40 Ų | 40 | 74.8 Ų | 74.8 | 28% | 0.28 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 116.2 | 170.7 | -175.3 | 0 | 0 | 0 | 0 | 110.9 | K15 C29 I30 | S13-K15 PolarHBondContact OG-NZ 3.32Å; S13-C29 CarbonylContact O-C 3.59Å; S13-C29 WeakPolarHBondContact O-CA 3.41Å; S13-I30 PolarHBondContact N-O 3.43Å; S13-I30 PolarHBondContact O-N 2.77Å |
| 14 | L | 96.3 | Very high | 84.2 | Confident | 53 Ų | 53 | 69.9 Ų | 69.9 | 28% | 0.277 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 139.7 | 173.2 | -66 | 179.9 | 0 | 0 | 0 | 111.9 | F8 R27 C29 A40 I42 | F8-L14 HydrophobicContact CD1-CD2 4.42Å; F8-L14 HydrophobicContact CD1-CG 4.43Å; F8-L14 HydrophobicContact CE1-CD1 4.49Å; F8-L14 HydrophobicContact CE1-CD2 3.39Å; F8-L14 HydrophobicContact CE1-CG 3.64Å; F8-L14 HydrophobicContact CZ-CD2 3.54Å; F8-L14 HydrophobicContact CZ-CG 4.31Å; L14-R27 HydrophobicContact CD2-CB 4.31Å; L14-C29 HydrophobicContact CD2-CB 4.1Å; L14-A40 HydrophobicContact CD2-CB 4.22Å; L14-I42 HydrophobicContact CD1-CD1 3.78Å; L14-I42 HydrophobicContact CD2-CD1 3.9Å |
| 15 | K | 95.6 | Very high | 85 | Confident | 79 Ų | 79 | 65.9 Ų | 65.9 | 34% | 0.343 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | -145.3 | 177.7 | -51.7 | -60 | -177.5 | -159.4 | 0 | 110.2 | S13 R27 K28 I30 | S13-K15 PolarHBondContact OG-NZ 3.32Å; K15-R27 PolarHBondContact O-NE 3.34Å; K15-R27 PolarHBondContact O-NH2 3.23Å; K15-K28 HydrophobicContact CB-CB 4.12Å; K15-K28 HydrophobicContact CB-CD 4.37Å; K15-K28 HydrophobicContact CB-CG 4.2Å; K15-K28 PolarHBondContact N-O 3.18Å; K15-I30 HydrophobicContact CD-CD1 4.42Å; K15-I30 VanDerWaalsContact CE-CD1 3.46Å; K15-I30 HydrophobicContact CG-CD1 4.25Å; K15-I30 HydrophobicContact CG-CG1 4.06Å |
| 16 | E | 92.5 | Very high | 85.5 | Confident | 108 Ų | 108 | 60.8 Ų | 60.8 | 51% | 0.505 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 159 | -178.2 | 66.5 | -85.6 | -160.9 | 0 | 0 | 114.2 | V18 R27 K28 | E16-V18 HydrophobicContact CG-CG1 4.45Å; E16-R27 CarbonylContact O-C 3.55Å; E16-R27 VanDerWaalsContact O-CA 3.25Å; E16-R27 WeakPolarHBondContact O-CA 3.41Å; E16-R27 WeakPolarHBondContact O-CB 2.99Å; E16-K28 HydrophobicContact CG-CB 4.32Å; E16-K28 PolarHBondContact O-N 3.04Å; E16-K28 WeakPolarHBondContact OE1-CD 3Å; E16-K28 IonicContact OE1-NZ 3.96Å |
| 17 | E | 90.2 | Very high | 86 | Confident | 87 Ų | 87 | 62.2 Ų | 62.2 | 41% | 0.407 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 131 | 169.1 | -177.5 | 166.3 | 146.6 | 0 | 0 | 109.8 | R20 I25 R27 | E17-R20 IonicContact OE1-CZ 2.83Å; E17-R20 VanDerWaalsContact OE1-CZ 3.27Å; E17-R20 IonicContact OE1-NE 3.56Å; E17-R20 PolarHBondContact OE1-NE 3.39Å; E17-R20 IonicContact OE1-NH2 2.74Å; E17-R20 PolarHBondContact OE1-NH2 2.69Å; E17-R20 IonicContact OE2-CZ 3.77Å; E17-R20 IonicContact OE2-NE 3.84Å; E17-R20 IonicContact OE2-NH2 2.92Å; E17-R20 PolarHBondContact OE2-NH2 3.19Å; E17-I25 VanDerWaalsContact CD-CG2 3.45Å; E17-I25 HydrophobicContact CG-CG2 3.7Å; E17-I25 WeakPolarHBondContact OE2-CG2 3.42Å; E17-R27 HydrophobicContact CB-CG 4.47Å |
| 18 | V | 80.7 | Confident | 86.2 | Confident | 77 Ų | 77 | 60.3 Ų | 60.3 | 47% | 0.467 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | -13.7 | 179.2 | -59.8 | 0 | 0 | 0 | 0 | 112.6 | E16 V26 K28 | E16-V18 HydrophobicContact CG-CG1 4.45Å; V18-V26 HydrophobicContact CG2-CB 3.9Å; V18-V26 HydrophobicContact CG2-CG1 3.55Å; V18-V26 WeakPolarHBondContact CG2-O 3.46Å; V18-V26 PolarHBondContact N-O 2.95Å; V18-K28 HydrophobicContact CG1-CB 4.12Å |
| 19 | G | 72.8 | Confident | 86.3 | Confident | 28 Ų | 28 | 60 Ų | 60 | 29% | 0.289 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.2 | 166.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | V26 | G19-V26 PolarHBondContact N-O 3.1Å; G19-V26 PolarHBondContact O-N 3.17Å |
| 20 | R | 73.4 | Confident | 86.5 | Confident | 161 Ų | 161 | 58.6 Ų | 58.6 | 61% | 0.608 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 134.7 | -177 | -176.2 | 174.5 | -67.3 | -111.4 | 1.6 | 111.3 | E17 | E17-R20 IonicContact OE1-CZ 2.83Å; E17-R20 VanDerWaalsContact OE1-CZ 3.27Å; E17-R20 IonicContact OE1-NE 3.56Å; E17-R20 PolarHBondContact OE1-NE 3.39Å; E17-R20 IonicContact OE1-NH2 2.74Å; E17-R20 PolarHBondContact OE1-NH2 2.69Å; E17-R20 IonicContact OE2-CZ 3.77Å; E17-R20 IonicContact OE2-NE 3.84Å; E17-R20 IonicContact OE2-NH2 2.92Å; E17-R20 PolarHBondContact OE2-NH2 3.19Å |
| 21 | G | 63.1 | Low | 86.7 | Confident | 32 Ų | 32 | 56.1 Ų | 56.1 | 33% | 0.33 | 29% | 0.292 | S | S | . | . | trans | -116.3 | -177.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F23 S24 | G21-F23 VanDerWaalsContact C-N 3.28Å; G21-F23 PolarHBondContact O-N 2.95Å; G21-S24 PolarHBondContact N-O 3.37Å | ||
| 22 | A | 60.5 | Low | 86.8 | Confident | 47 Ų | 47 | 58.5 Ų | 58.5 | 39% | 0.388 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -62.9 | -29 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 23 | F | 68.5 | Low | 86.7 | Confident | 84 Ų | 84 | 62.9 Ų | 62.9 | 37% | 0.368 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -128.2 | 1.2 | -177.1 | -56.6 | -73.1 | 0 | 0 | 0 | 114 | G21 L48 N311 | G21-F23 VanDerWaalsContact C-N 3.28Å; G21-F23 PolarHBondContact O-N 2.95Å; F23-L48 HydrophobicContact CB-CD2 4.39Å; F23-L48 HydrophobicContact CG-CD2 4.44Å; F23-N311 HydrophobicContact CE1-CB 3.93Å; F23-N311 HydrophobicContact CZ-CB 4.2Å; F23-N311 WeakPolarHBondContact CZ-ND2 3.48Å; F23-N311 WeakPolarHBondContact CZ-OD1 3.33Å |
| 24 | S | 79.8 | Confident | 86.7 | Confident | 23 Ų | 23 | 64.6 Ų | 64.6 | 16% | 0.161 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 150.9 | -169.9 | 60.6 | 0 | 0 | 0 | 0 | 112.4 | G21 I42 | G21-S24 PolarHBondContact N-O 3.37Å; S24-I42 CarbonylContact C-O 3.22Å; S24-I42 WeakPolarHBondContact CA-O 3.27Å; S24-I42 WeakPolarHBondContact CB-O 3.42Å |
| 25 | I | 85.4 | Confident | 86.7 | Confident | 54 Ų | 54 | 64.5 Ų | 64.5 | 28% | 0.277 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 132.1 | 170 | -56 | 172.2 | 0 | 0 | 0 | 106.6 | E17 R27 I42 | E17-I25 VanDerWaalsContact CD-CG2 3.45Å; E17-I25 HydrophobicContact CG-CG2 3.7Å; E17-I25 WeakPolarHBondContact OE2-CG2 3.42Å; I25-R27 HydrophobicContact CG2-CG 3.96Å; I25-I42 PolarHBondContact N-O 3.48Å; I25-I42 WeakPolarHBondContact O-CB 3.39Å; I25-I42 PolarHBondContact O-N 2.92Å |
| 26 | V | 88.8 | Confident | 86.7 | Confident | 37 Ų | 37 | 65.5 Ų | 65.5 | 22% | 0.224 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 120.5 | 172 | -166.9 | 0 | 0 | 0 | 0 | 107.7 | V18 G19 A39 A40 K41 | V18-V26 HydrophobicContact CG2-CB 3.9Å; V18-V26 HydrophobicContact CG2-CG1 3.55Å; V18-V26 WeakPolarHBondContact CG2-O 3.46Å; V18-V26 PolarHBondContact N-O 2.95Å; G19-V26 PolarHBondContact N-O 3.1Å; G19-V26 PolarHBondContact O-N 3.17Å; V26-A39 HydrophobicContact CG1-CB 4.05Å; V26-A40 WeakPolarHBondContact CA-O 3.42Å; V26-K41 HydrophobicContact CG2-CB 4.33Å; V26-K41 HydrophobicContact CG2-CG 4.36Å |
| 27 | R | 95 | Very high | 86.9 | Confident | 90 Ų | 90 | 64.9 Ų | 64.9 | 34% | 0.34 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 146.7 | 175.9 | -65 | -176.9 | 70.2 | 165.8 | 1.9 | 110 | L14 K15 E16 E17 I25 A40 I42 | L14-R27 HydrophobicContact CD2-CB 4.31Å; K15-R27 PolarHBondContact O-NE 3.34Å; K15-R27 PolarHBondContact O-NH2 3.23Å; E16-R27 CarbonylContact O-C 3.55Å; E16-R27 VanDerWaalsContact O-CA 3.25Å; E16-R27 WeakPolarHBondContact O-CA 3.41Å; E16-R27 WeakPolarHBondContact O-CB 2.99Å; E17-R27 HydrophobicContact CB-CG 4.47Å; I25-R27 HydrophobicContact CG2-CG 3.96Å; R27-A40 PolarHBondContact N-O 3.36Å; R27-A40 PolarHBondContact O-N 2.79Å; R27-I42 HydrophobicContact CB-CD1 4.32Å; R27-I42 HydrophobicContact CG-CD1 4.07Å |
| 28 | K | 95.9 | Very high | 87.2 | Confident | 32 Ų | 32 | 61.3 Ų | 61.3 | 14% | 0.139 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 142.6 | 162.6 | -179.3 | 178.6 | -171 | 179 | 0 | 108.9 | K15 E16 V18 E37 F38 L90 | K15-K28 HydrophobicContact CB-CB 4.12Å; K15-K28 HydrophobicContact CB-CD 4.37Å; K15-K28 HydrophobicContact CB-CG 4.2Å; K15-K28 PolarHBondContact N-O 3.18Å; E16-K28 HydrophobicContact CG-CB 4.32Å; E16-K28 PolarHBondContact O-N 3.04Å; E16-K28 WeakPolarHBondContact OE1-CD 3Å; E16-K28 IonicContact OE1-NZ 3.96Å; V18-K28 HydrophobicContact CG1-CB 4.12Å; K28-E37 WeakPolarHBondContact CE-OE1 3.5Å; K28-E37 WeakPolarHBondContact CE-OE2 3.3Å; K28-E37 IonicContact NZ-OE1 3.73Å; K28-E37 PolarHBondContact NZ-OE1 2.73Å; K28-E37 IonicContact NZ-OE2 3.18Å; K28-E37 PolarHBondContact NZ-OE2 3.46Å; K28-F38 CarbonylContact C-O 3.55Å; K28-F38 WeakPolarHBondContact CA-O 3.38Å; K28-L90 HydrophobicContact CD-CD2 4.12Å; K28-L90 HydrophobicContact CG-CD2 4.02Å |
| 29 | C | 97.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 157.4 | 170.5 | 62.8 | 0 | 0 | 0 | 0 | 111.4 | F8 S13 L14 E37 F38 A40 | F8-C29 HydrophobicContact CZ-CB 3.97Å; S13-C29 CarbonylContact O-C 3.59Å; S13-C29 WeakPolarHBondContact O-CA 3.41Å; L14-C29 HydrophobicContact CD2-CB 4.1Å; C29-E37 WeakPolarHBondContact O-CA 3.04Å; C29-F38 PolarHBondContact N-O 2.58Å; C29-F38 PolarHBondContact O-N 3.15Å; C29-A40 HydrophobicContact CB-CB 4.36Å |
| 30 | I | 97.5 | Very high | 89 | Confident | 42 Ų | 42 | 56.8 Ų | 56.8 | 22% | 0.215 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 128.6 | 178.2 | -55.1 | -174.7 | 0 | 0 | 0 | 108.6 | Y12 S13 K15 L32 L36 E37 | Y12-I30 CarbonylContact C-O 3.57Å; Y12-I30 WeakPolarHBondContact CA-O 3.5Å; S13-I30 PolarHBondContact N-O 3.43Å; S13-I30 PolarHBondContact O-N 2.77Å; K15-I30 HydrophobicContact CD-CD1 4.42Å; K15-I30 VanDerWaalsContact CE-CD1 3.46Å; K15-I30 HydrophobicContact CG-CD1 4.25Å; K15-I30 HydrophobicContact CG-CG1 4.06Å; I30-L32 PolarHBondContact O-N 3.15Å; I30-L36 WeakPolarHBondContact CA-O 3.48Å; I30-E37 HydrophobicContact CG1-CG 4.38Å |
| 31 | Q | 97.6 | Very high | 89.9 | Confident | 44 Ų | 44 | 50.6 Ų | 50.6 | 21% | 0.206 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 124.2 | 174.8 | -172.7 | 177.8 | 48 | 0 | 0 | 110.1 | L11 Y12 S33 T34 G35 L36 F38 | L11-Q31 WeakPolarHBondContact O-CA 3.44Å; Y12-Q31 HydrophobicContact CD1-CB 3.87Å; Y12-Q31 HydrophobicContact CD1-CG 4.36Å; Y12-Q31 HydrophobicContact CE1-CB 3.57Å; Y12-Q31 HydrophobicContact CE1-CG 3.88Å; Y12-Q31 PolarHBondContact OH-NE2 3.15Å; Q31-S33 VanDerWaalsContact C-N 3.31Å; Q31-S33 PolarHBondContact O-N 3.25Å; Q31-T34 PolarHBondContact O-N 3.43Å; Q31-T34 VanDerWaalsContact OE1-CG2 3.29Å; Q31-T34 PolarHBondContact OE1-OG1 3.46Å; Q31-G35 WeakPolarHBondContact O-CA 3.4Å; Q31-G35 PolarHBondContact O-N 3.42Å; Q31-L36 PolarHBondContact N-O 3.29Å; Q31-F38 HydrophobicContact CB-CD2 4.22Å; Q31-F38 HydrophobicContact CB-CE2 3.78Å |
| 32 | L | 96.8 | Very high | 91.3 | Very high | 102 Ų | 102 | 50 Ų | 50 | 53% | 0.534 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -31.8 | -170.5 | -65 | 176.9 | 0 | 0 | 0 | 113.5 | L11 I30 | L11-L32 PolarHBondContact O-N 3.3Å; I30-L32 PolarHBondContact O-N 3.15Å |
| 33 | S | 96.2 | Very high | 92.7 | Very high | 101 Ų | 101 | 48.3 Ų | 48.3 | 71% | 0.706 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -22.3 | -177.1 | 53.4 | 0 | 0 | 0 | 0 | 114.7 | Q31 | Q31-S33 VanDerWaalsContact C-N 3.31Å; Q31-S33 PolarHBondContact O-N 3.25Å |
| 34 | T | 96.6 | Very high | 93.6 | Very high | 76 Ų | 76 | 46.1 Ų | 46.1 | 47% | 0.466 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | -19.1 | -172 | 62.3 | 0 | 0 | 0 | 0 | 114 | Q31 L36 | Q31-T34 PolarHBondContact O-N 3.43Å; Q31-T34 VanDerWaalsContact OE1-CG2 3.29Å; Q31-T34 PolarHBondContact OE1-OG1 3.46Å; T34-L36 PolarHBondContact O-N 3.01Å; T34-L36 WeakPolarHBondContact OG1-CB 3.44Å; T34-L36 PolarHBondContact OG1-N 2.74Å |
| 35 | G | 95.8 | Very high | 93.9 | Very high | 50 Ų | 50 | 46 Ų | 46 | 52% | 0.515 | 25% | 0.254 | S | S | . | . | trans | 73.2 | 3.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q31 | Q31-G35 WeakPolarHBondContact O-CA 3.4Å; Q31-G35 PolarHBondContact O-N 3.42Å | ||
| 36 | L | 96.1 | Very high | 93.8 | Very high | 101 Ų | 101 | 50.4 Ų | 50.4 | 53% | 0.529 | 27% | 0.272 | S | S | . | . | trans | -72.5 | 143.7 | -179.8 | -66.8 | 175.1 | 0 | 0 | 0 | 112 | I30 Q31 T34 F38 | I30-L36 WeakPolarHBondContact CA-O 3.48Å; Q31-L36 PolarHBondContact N-O 3.29Å; T34-L36 PolarHBondContact O-N 3.01Å; T34-L36 WeakPolarHBondContact OG1-CB 3.44Å; T34-L36 PolarHBondContact OG1-N 2.74Å; L36-F38 HydrophobicContact CB-CD2 4.48Å; L36-F38 HydrophobicContact CB-CE2 3.57Å; L36-F38 HydrophobicContact CB-CZ 3.87Å; L36-F38 HydrophobicContact CD1-CZ 4.42Å; L36-F38 WeakPolarHBondContact O-CD2 3.5Å; L36-F38 WeakPolarHBondContact O-CE2 3.48Å | ||
| 37 | E | 96.9 | Very high | 93.1 | Very high | 94 Ų | 94 | 55.4 Ų | 55.4 | 44% | 0.439 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 137.6 | -176.9 | -49 | -164 | 136 | 0 | 0 | 112.2 | K28 C29 I30 L90 | K28-E37 WeakPolarHBondContact CE-OE1 3.5Å; K28-E37 WeakPolarHBondContact CE-OE2 3.3Å; K28-E37 IonicContact NZ-OE1 3.73Å; K28-E37 PolarHBondContact NZ-OE1 2.73Å; K28-E37 IonicContact NZ-OE2 3.18Å; K28-E37 PolarHBondContact NZ-OE2 3.46Å; C29-E37 WeakPolarHBondContact O-CA 3.04Å; I30-E37 HydrophobicContact CG1-CG 4.38Å; E37-L90 HydrophobicContact CB-CD2 3.82Å |
| 38 | F | 96.8 | Very high | 92.3 | Very high | 12 Ų | 12 | 52.6 Ų | 52.6 | 5% | 0.053 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 168.8 | -175.4 | -61.3 | -84 | 0 | 0 | 0 | 111.2 | Y12 K28 C29 Q31 L36 Y75 V87 F88 | Y12-F38 HydrophobicContact CD1-CD2 4.48Å; Y12-F38 AromaticContact CE1-CD2 3.81Å; Y12-F38 HydrophobicContact CE1-CD2 3.81Å; Y12-F38 HydrophobicContact CE1-CE2 4.18Å; Y12-F38 HydrophobicContact CE1-CG 4.47Å; K28-F38 CarbonylContact C-O 3.55Å; K28-F38 WeakPolarHBondContact CA-O 3.38Å; C29-F38 PolarHBondContact N-O 2.58Å; C29-F38 PolarHBondContact O-N 3.15Å; Q31-F38 HydrophobicContact CB-CD2 4.22Å; Q31-F38 HydrophobicContact CB-CE2 3.78Å; L36-F38 HydrophobicContact CB-CD2 4.48Å; L36-F38 HydrophobicContact CB-CE2 3.57Å; L36-F38 HydrophobicContact CB-CZ 3.87Å; L36-F38 HydrophobicContact CD1-CZ 4.42Å; L36-F38 WeakPolarHBondContact O-CD2 3.5Å; L36-F38 WeakPolarHBondContact O-CE2 3.48Å; F38-Y75 AromaticContact CD1-CD2 3.77Å; F38-Y75 HydrophobicContact CD1-CD2 3.77Å; F38-Y75 HydrophobicContact CD1-CE2 4.07Å; F38-Y75 HydrophobicContact CD1-CG 4.1Å; F38-Y75 AromaticContact CE1-CD1 3.77Å; F38-Y75 HydrophobicContact CE1-CD1 3.77Å; F38-Y75 AromaticContact CE1-CD2 3.65Å; F38-Y75 HydrophobicContact CE1-CD2 3.65Å; F38-Y75 AromaticContact CE1-CE1 3.94Å; F38-Y75 HydrophobicContact CE1-CE1 3.94Å; F38-Y75 AromaticContact CE1-CE2 3.83Å; F38-Y75 HydrophobicContact CE1-CE2 3.83Å; F38-Y75 AromaticContact CE1-CG 3.63Å; F38-Y75 HydrophobicContact CE1-CG 3.63Å; F38-Y75 AromaticContact CE1-CZ 3.97Å; F38-Y75 HydrophobicContact CZ-CD1 4.42Å; F38-V87 HydrophobicContact CB-CG1 3.55Å; F38-V87 HydrophobicContact CD1-CG1 4.23Å; F38-V87 HydrophobicContact CG-CG1 3.86Å; F38-F88 WeakPolarHBondContact CA-O 3.42Å; F38-F88 WeakPolarHBondContact CB-O 3.31Å |
| 39 | A | 95.4 | Very high | 91.7 | Very high | 10 Ų | 10 | 53.8 Ų | 53.8 | 8% | 0.083 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 111.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | V26 F88 L90 | V26-A39 HydrophobicContact CG1-CB 4.05Å; A39-F88 PolarHBondContact N-O 2.93Å; A39-F88 PolarHBondContact O-N 3.03Å; A39-L90 HydrophobicContact CB-CD1 4.04Å |
| 40 | A | 95.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 112.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | F8 L14 V26 R27 C29 I42 L86 | F8-A40 HydrophobicContact CE2-CB 3.94Å; F8-A40 HydrophobicContact CZ-CB 3.88Å; L14-A40 HydrophobicContact CD2-CB 4.22Å; V26-A40 WeakPolarHBondContact CA-O 3.42Å; R27-A40 PolarHBondContact N-O 3.36Å; R27-A40 PolarHBondContact O-N 2.79Å; C29-A40 HydrophobicContact CB-CB 4.36Å; A40-I42 HydrophobicContact CB-CG1 4.35Å; A40-I42 PolarHBondContact O-N 3.25Å; A40-L86 CarbonylContact C-O 3.5Å; A40-L86 WeakPolarHBondContact CA-O 3.35Å |
| 41 | K | 92.3 | Very high | 90.5 | Very high | 32 Ų | 32 | 65.9 Ų | 65.9 | 14% | 0.139 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 101.3 | 166.7 | -178.8 | 178.6 | 177 | -179.2 | 0 | 107.6 | V26 I43 E59 L86 F88 D155 | V26-K41 HydrophobicContact CG2-CB 4.33Å; V26-K41 HydrophobicContact CG2-CG 4.36Å; K41-I43 HydrophobicContact CD-CD1 4.47Å; K41-I43 HydrophobicContact CG-CD1 4.24Å; K41-I43 HydrophobicContact CG-CG1 4.16Å; K41-E59 IonicContact NZ-OE1 3.69Å; K41-E59 PolarHBondContact NZ-OE1 3.48Å; K41-E59 IonicContact NZ-OE2 3Å; K41-E59 PolarHBondContact NZ-OE2 3.29Å; K41-L86 HydrophobicContact CB-CB 4.31Å; K41-L86 PolarHBondContact N-O 3.21Å; K41-L86 PolarHBondContact O-N 3.17Å; K41-F88 HydrophobicContact CB-CD2 4.29Å; K41-F88 HydrophobicContact CB-CE2 4.05Å; K41-F88 HydrophobicContact CD-CE2 4.15Å; K41-D155 IonicContact NZ-OD1 2.9Å |
| 42 | I | 92.6 | Very high | 89.8 | Confident | 20 Ų | 20 | 65.7 Ų | 65.7 | 10% | 0.103 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 119.8 | -177.2 | -47.6 | 175.4 | 0 | 0 | 0 | 108.8 | L14 S24 I25 R27 A40 F83 Y85 | L14-I42 HydrophobicContact CD1-CD1 3.78Å; L14-I42 HydrophobicContact CD2-CD1 3.9Å; S24-I42 CarbonylContact C-O 3.22Å; S24-I42 WeakPolarHBondContact CA-O 3.27Å; S24-I42 WeakPolarHBondContact CB-O 3.42Å; I25-I42 PolarHBondContact N-O 3.48Å; I25-I42 WeakPolarHBondContact O-CB 3.39Å; I25-I42 PolarHBondContact O-N 2.92Å; R27-I42 HydrophobicContact CB-CD1 4.32Å; R27-I42 HydrophobicContact CG-CD1 4.07Å; A40-I42 HydrophobicContact CB-CG1 4.35Å; A40-I42 PolarHBondContact O-N 3.25Å; I42-F83 HydrophobicContact CG2-CD1 3.93Å; I42-Y85 HydrophobicContact CB-CD1 4.38Å; I42-Y85 HydrophobicContact CB-CE1 4.34Å; I42-Y85 HydrophobicContact CD1-CD1 4.46Å; I42-Y85 HydrophobicContact CD1-CE1 4.09Å; I42-Y85 HydrophobicContact CG1-CD1 3.84Å; I42-Y85 HydrophobicContact CG1-CE1 3.89Å; I42-Y85 HydrophobicContact CG2-CD1 4.1Å; I42-Y85 HydrophobicContact CG2-CE1 3.69Å |
| 43 | I | 89.7 | Confident | 89.3 | Confident | 10 Ų | 10 | 62.9 Ų | 62.9 | 5% | 0.051 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 129.5 | -172 | -54.5 | 165.6 | 0 | 0 | 0 | 109 | K41 T45 L48 L56 F83 H84 L86 | K41-I43 HydrophobicContact CD-CD1 4.47Å; K41-I43 HydrophobicContact CG-CD1 4.24Å; K41-I43 HydrophobicContact CG-CG1 4.16Å; I43-T45 PolarHBondContact O-N 2.94Å; I43-L48 HydrophobicContact CG2-CD1 3.99Å; I43-L56 HydrophobicContact CB-CD2 4.49Å; I43-L56 HydrophobicContact CD1-CD1 3.39Å; I43-L56 HydrophobicContact CD1-CD2 4.05Å; I43-L56 HydrophobicContact CD1-CG 4.38Å; I43-L56 HydrophobicContact CG2-CD2 4.09Å; I43-F83 CarbonylContact O-C 3.55Å; I43-F83 VanDerWaalsContact O-CA 3.29Å; I43-F83 WeakPolarHBondContact O-CA 3.34Å; I43-H84 HydrophobicContact CB-CB 4.22Å; I43-H84 PolarHBondContact N-O 2.93Å; I43-H84 PolarHBondContact O-N 2.68Å; I43-L86 HydrophobicContact CD1-CD1 4.11Å; I43-L86 HydrophobicContact CD1-CG 4.49Å |
| 44 | N | 86.7 | Confident | 88.9 | Confident | 39 Ų | 39 | 63.7 Ų | 63.7 | 21% | 0.209 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 97.9 | -179.1 | -171.5 | -49.4 | 0 | 0 | 0 | 111 | K46 R47 F83 | N44-K46 VanDerWaalsContact C-N 3.28Å; N44-K46 PolarHBondContact O-N 3.37Å; N44-K46 WeakPolarHBondContact OD1-CB 3.39Å; N44-K46 PolarHBondContact OD1-N 2.99Å; N44-R47 PolarHBondContact O-N 3.06Å; N44-R47 VanDerWaalsContact O-N 3.15Å; N44-R47 PolarHBondContact OD1-N 3.31Å; N44-F83 HydrophobicContact CB-CD1 4.38Å; N44-F83 HydrophobicContact CB-CE1 4.14Å |
| 45 | T | 86.2 | Confident | 88.4 | Confident | 19 Ų | 19 | 63.8 Ų | 63.8 | 12% | 0.117 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -67.9 | -26.2 | -175.7 | 54.5 | 0 | 0 | 0 | 0 | 113 | I43 R47 L48 M53 G82 F83 H84 | I43-T45 PolarHBondContact O-N 2.94Å; T45-R47 PolarHBondContact O-N 3.5Å; T45-L48 HydrophobicContact CG2-CD1 4.48Å; T45-L48 PolarHBondContact O-N 3.09Å; T45-M53 HydrophobicContact CG2-CE 4.04Å; T45-M53 HydrophobicContact CG2-SD 4.32Å; T45-G82 PolarHBondContact N-O 3.41Å; T45-G82 WeakPolarHBondContact OG1-CA 3.32Å; T45-G82 PolarHBondContact OG1-O 3.19Å; T45-G82 VanDerWaalsContact OG1-O 3.1Å; T45-F83 PolarHBondContact OG1-N 2.68Å; T45-H84 HydrophobicContact CG2-CB 3.74Å |
| 46 | K | 83.4 | Confident | 88 | Confident | 148 Ų | 148 | 61.8 Ų | 61.8 | 64% | 0.643 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -64.3 | -9 | 174.3 | -47.1 | -170.4 | -171.1 | -171.9 | 0 | 113.4 | N44 E81 G82 K315 | N44-K46 VanDerWaalsContact C-N 3.28Å; N44-K46 PolarHBondContact O-N 3.37Å; N44-K46 WeakPolarHBondContact OD1-CB 3.39Å; N44-K46 PolarHBondContact OD1-N 2.99Å; K46-E81 WeakPolarHBondContact CE-O 3.39Å; K46-G82 VanDerWaalsContact CE-CA 3.45Å; K46-K315 PolarHBondContact O-NZ 3.27Å |
| 47 | R | 74.3 | Confident | 87.7 | Confident | 142 Ų | 142 | 62 Ų | 62 | 54% | 0.536 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -109.9 | -6.5 | 178.6 | -64.8 | -175 | -178.9 | -154.1 | 0.5 | 114.4 | N44 T45 | N44-R47 PolarHBondContact O-N 3.06Å; N44-R47 VanDerWaalsContact O-N 3.15Å; N44-R47 PolarHBondContact OD1-N 3.31Å; T45-R47 PolarHBondContact O-N 3.5Å |
| 48 | L | 77.6 | Confident | 87.5 | Confident | 31 Ų | 31 | 60.1 Ų | 60.1 | 16% | 0.162 | 28% | 0.283 | C | S | . | . | trans | -84.4 | 145 | -177.7 | -61.5 | -174.6 | 0 | 0 | 0 | 111.9 | F23 I43 T45 D52 M53 L56 | F23-L48 HydrophobicContact CB-CD2 4.39Å; F23-L48 HydrophobicContact CG-CD2 4.44Å; I43-L48 HydrophobicContact CG2-CD1 3.99Å; T45-L48 HydrophobicContact CG2-CD1 4.48Å; T45-L48 PolarHBondContact O-N 3.09Å; L48-D52 HydrophobicContact CB-CB 4.08Å; L48-D52 HydrophobicContact CD2-CB 4.06Å; L48-D52 HydrophobicContact CG-CB 4.47Å; L48-M53 HydrophobicContact CB-CE 4.15Å; L48-M53 HydrophobicContact CD1-CE 4.12Å; L48-M53 HydrophobicContact CD1-SD 4.38Å; L48-L56 HydrophobicContact CD1-CD2 3.81Å | ||
| 49 | S | 84.1 | Confident | 87.3 | Confident | 57 Ų | 57 | 60.4 Ų | 60.4 | 40% | 0.399 | 28% | 0.284 | S | S | . | . | trans | -75.1 | 163 | 163.7 | 75.7 | 0 | 0 | 0 | 0 | 110.5 | R51 D52 M53 | S49-R51 PolarHBondContact O-N 2.88Å; S49-R51 PolarHBondContact OG-N 2.92Å; S49-D52 WeakPolarHBondContact CB-OD2 3.43Å; S49-D52 PolarHBondContact N-OD2 2.89Å; S49-D52 PolarHBondContact O-N 2.7Å; S49-D52 VanDerWaalsContact OG-CG 3.27Å; S49-D52 PolarHBondContact OG-N 3.19Å; S49-D52 PolarHBondContact OG-OD2 2.82Å; S49-M53 PolarHBondContact O-N 3.21Å | ||
| 50 | T | 85.2 | Confident | 87.1 | Confident | 114 Ų | 114 | 60 Ų | 60 | 70% | 0.699 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -52.4 | -37.5 | 171.6 | -46.1 | 0 | 0 | 0 | 0 | 112.2 | D52 M53 Q54 | T50-D52 VanDerWaalsContact C-N 3.34Å; T50-M53 WeakPolarHBondContact O-CB 3.4Å; T50-M53 PolarHBondContact O-N 3.33Å; T50-Q54 WeakPolarHBondContact O-CG 3.38Å; T50-Q54 PolarHBondContact O-N 3.24Å; T50-Q54 VanDerWaalsContact O-N 3.1Å |
| 51 | R | 84.2 | Confident | 87 | Confident | 181 Ų | 181 | 65 Ų | 65 | 68% | 0.683 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -66.8 | -35.1 | 177.3 | -173.8 | -177.9 | -178.8 | -169.8 | 2.5 | 112.1 | S49 K55 | S49-R51 PolarHBondContact O-N 2.88Å; S49-R51 PolarHBondContact OG-N 2.92Å; R51-K55 WeakPolarHBondContact O-CG 3.45Å; R51-K55 PolarHBondContact O-N 3.1Å |
| 52 | D | 83.5 | Confident | 87.2 | Confident | 40 Ų | 40 | 63.5 Ų | 63.5 | 21% | 0.214 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -78.6 | -30.3 | 177.8 | -56.4 | -52.6 | 0 | 0 | 0 | 111.9 | L48 S49 T50 K55 L56 | L48-D52 HydrophobicContact CB-CB 4.08Å; L48-D52 HydrophobicContact CD2-CB 4.06Å; L48-D52 HydrophobicContact CG-CB 4.47Å; S49-D52 WeakPolarHBondContact CB-OD2 3.43Å; S49-D52 PolarHBondContact N-OD2 2.89Å; S49-D52 PolarHBondContact O-N 2.7Å; S49-D52 VanDerWaalsContact OG-CG 3.27Å; S49-D52 PolarHBondContact OG-N 3.19Å; S49-D52 PolarHBondContact OG-OD2 2.82Å; T50-D52 VanDerWaalsContact C-N 3.34Å; D52-K55 WeakPolarHBondContact O-CB 3.43Å; D52-K55 PolarHBondContact O-N 3.27Å; D52-K55 IonicContact OD1-NZ 2.69Å; D52-K55 PolarHBondContact OD1-NZ 2.68Å; D52-L56 WeakPolarHBondContact O-CB 3.39Å; D52-L56 PolarHBondContact O-N 2.95Å |
| 53 | M | 85.4 | Confident | 87.2 | Confident | 43 Ų | 43 | 62.8 Ų | 62.8 | 21% | 0.212 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.4 | -47.6 | 168.9 | -158.1 | 62.1 | 66.2 | 0 | 0 | 111.3 | T45 L48 S49 T50 K55 L56 E57 | T45-M53 HydrophobicContact CG2-CE 4.04Å; T45-M53 HydrophobicContact CG2-SD 4.32Å; L48-M53 HydrophobicContact CB-CE 4.15Å; L48-M53 HydrophobicContact CD1-CE 4.12Å; L48-M53 HydrophobicContact CD1-SD 4.38Å; S49-M53 PolarHBondContact O-N 3.21Å; T50-M53 WeakPolarHBondContact O-CB 3.4Å; T50-M53 PolarHBondContact O-N 3.33Å; M53-K55 VanDerWaalsContact C-N 3.3Å; M53-K55 PolarHBondContact O-N 3.05Å; M53-L56 WeakPolarHBondContact O-CB 3.5Å; M53-L56 PolarHBondContact O-N 3.29Å; M53-L56 HydrophobicContact SD-CD2 4.45Å; M53-E57 WeakPolarHBondContact O-CG 3.29Å; M53-E57 PolarHBondContact O-N 3.34Å |
| 54 | Q | 87.8 | Confident | 87.4 | Confident | 118 Ų | 118 | 68.3 Ų | 68.3 | 55% | 0.551 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.3 | -35.2 | 176.2 | -71.2 | 171.9 | -12.7 | 0 | 0 | 113.1 | T50 R58 | T50-Q54 WeakPolarHBondContact O-CG 3.38Å; T50-Q54 PolarHBondContact O-N 3.24Å; T50-Q54 VanDerWaalsContact O-N 3.1Å; Q54-R58 WeakPolarHBondContact O-CB 3.37Å; Q54-R58 PolarHBondContact O-N 3.42Å |
| 55 | K | 86.6 | Confident | 87.7 | Confident | 78 Ų | 78 | 70.4 Ų | 70.4 | 34% | 0.339 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 172.3 | -69.5 | 171.2 | -164.3 | 162.9 | 0 | 110.9 | R51 D52 M53 R58 E59 | R51-K55 WeakPolarHBondContact O-CG 3.45Å; R51-K55 PolarHBondContact O-N 3.1Å; D52-K55 WeakPolarHBondContact O-CB 3.43Å; D52-K55 PolarHBondContact O-N 3.27Å; D52-K55 IonicContact OD1-NZ 2.69Å; D52-K55 PolarHBondContact OD1-NZ 2.68Å; M53-K55 VanDerWaalsContact C-N 3.3Å; M53-K55 PolarHBondContact O-N 3.05Å; K55-R58 PolarHBondContact O-N 3.25Å; K55-E59 PolarHBondContact O-N 3.22Å |
| 56 | L | 87.6 | Confident | 88.2 | Confident | 8 Ų | 8 | 69.5 Ų | 69.5 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.6 | -47.2 | -178.6 | 176.6 | 52.4 | 0 | 0 | 0 | 112.3 | I43 L48 D52 M53 R58 E59 A60 H84 L86 | I43-L56 HydrophobicContact CB-CD2 4.49Å; I43-L56 HydrophobicContact CD1-CD1 3.39Å; I43-L56 HydrophobicContact CD1-CD2 4.05Å; I43-L56 HydrophobicContact CD1-CG 4.38Å; I43-L56 HydrophobicContact CG2-CD2 4.09Å; L48-L56 HydrophobicContact CD1-CD2 3.81Å; D52-L56 WeakPolarHBondContact O-CB 3.39Å; D52-L56 PolarHBondContact O-N 2.95Å; M53-L56 WeakPolarHBondContact O-CB 3.5Å; M53-L56 PolarHBondContact O-N 3.29Å; M53-L56 HydrophobicContact SD-CD2 4.45Å; L56-R58 PolarHBondContact O-N 3.18Å; L56-E59 PolarHBondContact O-N 3.38Å; L56-E59 VanDerWaalsContact O-N 3.17Å; L56-A60 WeakPolarHBondContact O-CB 3.47Å; L56-A60 PolarHBondContact O-N 2.89Å; L56-H84 HydrophobicContact CD2-CB 3.96Å; L56-H84 WeakPolarHBondContact CD2-ND1 3.2Å; L56-L86 HydrophobicContact CD1-CD1 3.84Å |
| 57 | E | 90.4 | Very high | 88.8 | Confident | 107 Ų | 107 | 68.3 Ų | 68.3 | 50% | 0.5 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.4 | -38.8 | 174.7 | -71.6 | 170 | -178.2 | 0 | 0 | 112.1 | M53 R61 | M53-E57 WeakPolarHBondContact O-CG 3.29Å; M53-E57 PolarHBondContact O-N 3.34Å; E57-R61 VanDerWaalsContact O-CB 3.31Å; E57-R61 WeakPolarHBondContact O-CB 3.44Å; E57-R61 PolarHBondContact O-N 3.34Å |
| 58 | R | 91.8 | Very high | 90 | Very high | 53 Ų | 53 | 63.2 Ų | 63.2 | 20% | 0.2 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70.7 | -44 | 174.8 | 177.4 | -174.7 | 60.7 | 159.6 | 9.8 | 112.2 | Q54 K55 L56 A60 R61 I62 A159 | Q54-R58 WeakPolarHBondContact O-CB 3.37Å; Q54-R58 PolarHBondContact O-N 3.42Å; K55-R58 PolarHBondContact O-N 3.25Å; L56-R58 PolarHBondContact O-N 3.18Å; R58-A60 VanDerWaalsContact C-N 3.35Å; R58-A60 PolarHBondContact O-N 3.24Å; R58-R61 PolarHBondContact O-N 2.71Å; R58-I62 HydrophobicContact CG-CD1 3.83Å; R58-I62 HydrophobicContact CG-CG1 4.37Å; R58-I62 WeakPolarHBondContact O-CB 3.42Å; R58-I62 VanDerWaalsContact O-CG1 3.29Å; R58-I62 WeakPolarHBondContact O-CG1 3.12Å; R58-I62 PolarHBondContact O-N 3.44Å; R58-A159 VanDerWaalsContact CZ-O 3.24Å; R58-A159 PolarHBondContact NE-O 2.85Å; R58-A159 PolarHBondContact NH1-O 3.3Å |
| 59 | E | 91.8 | Very high | 90.9 | Very high | 18 Ų | 18 | 66 Ų | 66 | 8% | 0.084 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57 | -49.7 | 174.9 | -172.6 | -171.1 | 147.7 | 0 | 0 | 110.2 | K41 K55 L56 R61 I62 C63 | K41-E59 IonicContact NZ-OE1 3.69Å; K41-E59 PolarHBondContact NZ-OE1 3.48Å; K41-E59 IonicContact NZ-OE2 3Å; K41-E59 PolarHBondContact NZ-OE2 3.29Å; K55-E59 PolarHBondContact O-N 3.22Å; L56-E59 PolarHBondContact O-N 3.38Å; L56-E59 VanDerWaalsContact O-N 3.17Å; E59-R61 PolarHBondContact O-N 3.27Å; E59-I62 PolarHBondContact O-N 2.86Å; E59-C63 VanDerWaalsContact O-CB 3.32Å; E59-C63 WeakPolarHBondContact O-CB 3.49Å; E59-C63 PolarHBondContact O-N 2.85Å; E59-C63 PolarHBondContact O-SG 3.42Å |
| 60 | A | 92.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.008 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L56 R58 R64 L86 | L56-A60 WeakPolarHBondContact O-CB 3.47Å; L56-A60 PolarHBondContact O-N 2.89Å; R58-A60 VanDerWaalsContact C-N 3.35Å; R58-A60 PolarHBondContact O-N 3.24Å; A60-R64 WeakPolarHBondContact O-CB 3.42Å; A60-R64 WeakPolarHBondContact O-CG 3.32Å; A60-R64 PolarHBondContact O-N 3.12Å; A60-L86 HydrophobicContact CB-CD2 3.8Å |
| 61 | R | 94 | Very high | 92.2 | Very high | 106 Ų | 106 | 58.5 Ų | 58.5 | 40% | 0.4 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.3 | -48.9 | 175.6 | 179.8 | 174 | 64.3 | -104.2 | 6 | 112 | E57 R58 E59 R64 L65 E161 | E57-R61 VanDerWaalsContact O-CB 3.31Å; E57-R61 WeakPolarHBondContact O-CB 3.44Å; E57-R61 PolarHBondContact O-N 3.34Å; R58-R61 PolarHBondContact O-N 2.71Å; E59-R61 PolarHBondContact O-N 3.27Å; R61-R64 PolarHBondContact O-N 3.27Å; R61-L65 WeakPolarHBondContact O-CG 3.46Å; R61-L65 PolarHBondContact O-N 3.11Å; R61-E161 IonicContact CZ-OE1 3.95Å; R61-E161 IonicContact CZ-OE2 3.27Å; R61-E161 IonicContact NE-OE1 3.68Å; R61-E161 PolarHBondContact NE-OE1 2.68Å; R61-E161 IonicContact NE-OE2 2.68Å; R61-E161 PolarHBondContact NE-OE2 2.8Å; R61-E161 IonicContact NH2-OE1 2.77Å; R61-E161 IonicContact NH2-OE2 2.66Å; R61-E161 PolarHBondContact NH2-OE2 3.37Å |
| 62 | I | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.5 | -49.9 | 179.6 | -70.3 | 177.2 | 0 | 0 | 0 | 110.2 | R58 E59 R64 L65 L66 I130 F156 A159 E161 | R58-I62 HydrophobicContact CG-CD1 3.83Å; R58-I62 HydrophobicContact CG-CG1 4.37Å; R58-I62 WeakPolarHBondContact O-CB 3.42Å; R58-I62 VanDerWaalsContact O-CG1 3.29Å; R58-I62 WeakPolarHBondContact O-CG1 3.12Å; R58-I62 PolarHBondContact O-N 3.44Å; E59-I62 PolarHBondContact O-N 2.86Å; I62-R64 VanDerWaalsContact C-N 3.29Å; I62-R64 PolarHBondContact O-N 3.39Å; I62-L65 WeakPolarHBondContact O-CB 3.39Å; I62-L65 PolarHBondContact O-N 2.99Å; I62-L66 HydrophobicContact CG2-CD1 3.76Å; I62-L66 HydrophobicContact CG2-CG 4.43Å; I62-L66 WeakPolarHBondContact O-CG 3.1Å; I62-L66 PolarHBondContact O-N 3.16Å; I62-I130 HydrophobicContact CB-CD1 4.45Å; I62-I130 HydrophobicContact CD1-CD1 4.21Å; I62-I130 HydrophobicContact CG1-CD1 3.84Å; I62-I130 HydrophobicContact CG2-CD1 4.07Å; I62-I130 HydrophobicContact CG2-CG1 4.12Å; I62-I130 HydrophobicContact CG2-CG2 3.73Å; I62-F156 HydrophobicContact CG2-CB 4.36Å; I62-F156 HydrophobicContact CG2-CD1 3.95Å; I62-F156 HydrophobicContact CG2-CG 4.4Å; I62-A159 HydrophobicContact CD1-CB 3.8Å; I62-A159 HydrophobicContact CG2-CB 4.29Å; I62-E161 HydrophobicContact CD1-CG 4.41Å; I62-E161 HydrophobicContact CG1-CG 4.21Å |
| 63 | C | 94.2 | Very high | 93.3 | Very high | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.034 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.1 | -29 | -179.3 | -69.6 | 0 | 0 | 0 | 0 | 113.7 | E59 L74 F88 | E59-C63 VanDerWaalsContact O-CB 3.32Å; E59-C63 WeakPolarHBondContact O-CB 3.49Å; E59-C63 PolarHBondContact O-N 2.85Å; E59-C63 PolarHBondContact O-SG 3.42Å; C63-L74 HydrophobicContact CB-CB 3.74Å; C63-L74 HydrophobicContact CB-CD2 3.6Å; C63-L74 HydrophobicContact CB-CG 4.3Å; C63-F88 HydrophobicContact CB-CE1 4.16Å |
| 64 | R | 93.4 | Very high | 93.7 | Very high | 126 Ų | 126 | 51.5 Ų | 51.5 | 48% | 0.475 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.9 | -32.9 | 172.1 | -83.1 | -179 | 172.8 | 123.1 | -8.1 | 113.2 | A60 R61 I62 K67 L74 D77 | A60-R64 WeakPolarHBondContact O-CB 3.42Å; A60-R64 WeakPolarHBondContact O-CG 3.32Å; A60-R64 PolarHBondContact O-N 3.12Å; R61-R64 PolarHBondContact O-N 3.27Å; I62-R64 VanDerWaalsContact C-N 3.29Å; I62-R64 PolarHBondContact O-N 3.39Å; R64-K67 WeakPolarHBondContact O-CE 3.42Å; R64-L74 HydrophobicContact CG-CD2 4Å; R64-D77 IonicContact CZ-OD2 2.89Å; R64-D77 IonicContact NE-OD2 3.53Å; R64-D77 IonicContact NH1-OD2 2.96Å; R64-D77 PolarHBondContact NH1-OD2 2.85Å; R64-D77 VanDerWaalsContact NH2-CB 3.33Å; R64-D77 IonicContact NH2-OD2 2.68Å; R64-D77 PolarHBondContact NH2-OD2 2.88Å |
| 65 | L | 93.4 | Very high | 94 | Very high | 84 Ų | 84 | 50.7 Ų | 50.7 | 44% | 0.44 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -74.7 | -38.8 | 179 | -65.8 | 170.2 | 0 | 0 | 0 | 111.3 | R61 I62 K67 | R61-L65 WeakPolarHBondContact O-CG 3.46Å; R61-L65 PolarHBondContact O-N 3.11Å; I62-L65 WeakPolarHBondContact O-CB 3.39Å; I62-L65 PolarHBondContact O-N 2.99Å; L65-K67 PolarHBondContact O-N 3.46Å |
| 66 | L | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -81.3 | 102.4 | -169.1 | -63.1 | 175.5 | 0 | 0 | 0 | 113.2 | I62 I71 Y124 N128 I130 F156 | I62-L66 HydrophobicContact CG2-CD1 3.76Å; I62-L66 HydrophobicContact CG2-CG 4.43Å; I62-L66 WeakPolarHBondContact O-CG 3.1Å; I62-L66 PolarHBondContact O-N 3.16Å; L66-I71 HydrophobicContact CB-CD1 4.13Å; L66-I71 HydrophobicContact CB-CG2 4.33Å; L66-I71 HydrophobicContact CD1-CD1 4.43Å; L66-I71 HydrophobicContact CD2-CD1 4.5Å; L66-Y124 HydrophobicContact CD2-CD1 4.04Å; L66-Y124 HydrophobicContact CD2-CE1 3.97Å; L66-N128 HydrophobicContact CD2-CB 4.16Å; L66-I130 HydrophobicContact CD1-CG2 4.32Å; L66-I130 HydrophobicContact CD2-CG1 4.14Å; L66-F156 HydrophobicContact CD1-CD1 3.69Å; L66-F156 HydrophobicContact CD1-CE1 3.19Å; L66-F156 HydrophobicContact CD1-CE2 4.42Å; L66-F156 HydrophobicContact CD1-CG 4.48Å; L66-F156 HydrophobicContact CD1-CZ 3.63Å | ||
| 67 | K | 96.4 | Very high | 94.5 | Very high | 123 Ų | 123 | 50.2 Ų | 50.2 | 54% | 0.535 | 23% | 0.228 | S | C | . | . | trans | -120.5 | 81.8 | -178.9 | -64.9 | 171.9 | -172.3 | 168.4 | 0 | 110.8 | R64 L65 Y124 | R64-K67 WeakPolarHBondContact O-CE 3.42Å; L65-K67 PolarHBondContact O-N 3.46Å; K67-Y124 PolarHBondContact N-OH 3.08Å; K67-Y124 PolarHBondContact O-OH 3.35Å | ||
| 68 | H | 97.8 | Very high | 94.6 | Very high | 34 Ų | 34 | 45.7 Ų | 45.7 | 16% | 0.157 | 21% | 0.207 | C | C | . | . | trans | -132.7 | 143 | -177.1 | -168.5 | -97.5 | 0 | 0 | 0 | 110.9 | N70 I71 Y124 | H68-N70 PolarHBondContact CE1-OD1 3.37Å; H68-N70 PolarHBondContact ND1-N 2.68Å; H68-N70 VanDerWaalsContact ND1-N 3.19Å; H68-N70 PolarHBondContact O-N 3.3Å; H68-I71 HydrophobicContact CB-CB 4.14Å; H68-I71 HydrophobicContact CB-CD1 3.76Å; H68-I71 HydrophobicContact CB-CG1 3.88Å; H68-I71 PolarHBondContact O-N 3.46Å; H68-I71 VanDerWaalsContact O-N 3.08Å; H68-Y124 HydrophobicContact CB-CD1 3.72Å; H68-Y124 HydrophobicContact CB-CD2 4.39Å; H68-Y124 HydrophobicContact CB-CE1 3.97Å; H68-Y124 HydrophobicContact CB-CG 3.94Å; H68-Y124 AromaticContact CD2-CD2 3.58Å; H68-Y124 AromaticContact CD2-CG 3.57Å; H68-Y124 AromaticContact CG-CG 3.91Å | ||
| 69 | P | 97.3 | Very high | 94.5 | Very high | 90 Ų | 90 | 49.8 Ų | 49.8 | 58% | 0.584 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -39.9 | 178.4 | 19 | -32.2 | 0 | 0 | 0 | 113 | I71 K152 | P69-I71 VanDerWaalsContact C-N 3.31Å; P69-I71 PolarHBondContact O-N 2.82Å; P69-K152 VanDerWaalsContact O-CE 3.29Å; P69-K152 WeakPolarHBondContact O-CE 3.45Å; P69-K152 WeakPolarHBondContact O-CG 3.46Å; P69-K152 PolarHBondContact O-NZ 2.87Å |
| 70 | N | 98.4 | Very high | 94.3 | Very high | 12 Ų | 12 | 50.5 Ų | 50.5 | 6% | 0.064 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 21.4 | 179.6 | -51.7 | 91.1 | 0 | 0 | 0 | 114.4 | H68 Q117 S121 V151 K152 L153 | H68-N70 PolarHBondContact CE1-OD1 3.37Å; H68-N70 PolarHBondContact ND1-N 2.68Å; H68-N70 VanDerWaalsContact ND1-N 3.19Å; H68-N70 PolarHBondContact O-N 3.3Å; N70-Q117 WeakPolarHBondContact ND2-CB 3.45Å; N70-Q117 PolarHBondContact ND2-OE1 2.9Å; N70-S121 VanDerWaalsContact O-CB 3.29Å; N70-S121 WeakPolarHBondContact O-CB 3.25Å; N70-V151 VanDerWaalsContact CA-O 3.31Å; N70-V151 WeakPolarHBondContact CA-O 3.35Å; N70-V151 VanDerWaalsContact CB-O 3.24Å; N70-V151 WeakPolarHBondContact CB-O 3.19Å; N70-V151 PolarHBondContact ND2-O 3.23Å; N70-K152 WeakPolarHBondContact O-CA 3.36Å; N70-L153 PolarHBondContact O-N 2.81Å |
| 71 | I | 98.2 | Very high | 93.9 | Very high | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -121.4 | 145.1 | 169.3 | -64.8 | 176.9 | 0 | 0 | 0 | 108 | L66 H68 P69 R73 Y124 K152 F156 | L66-I71 HydrophobicContact CB-CD1 4.13Å; L66-I71 HydrophobicContact CB-CG2 4.33Å; L66-I71 HydrophobicContact CD1-CD1 4.43Å; L66-I71 HydrophobicContact CD2-CD1 4.5Å; H68-I71 HydrophobicContact CB-CB 4.14Å; H68-I71 HydrophobicContact CB-CD1 3.76Å; H68-I71 HydrophobicContact CB-CG1 3.88Å; H68-I71 PolarHBondContact O-N 3.46Å; H68-I71 VanDerWaalsContact O-N 3.08Å; P69-I71 VanDerWaalsContact C-N 3.31Å; P69-I71 PolarHBondContact O-N 2.82Å; I71-R73 PolarHBondContact O-N 2.88Å; I71-Y124 HydrophobicContact CD1-CD1 3.94Å; I71-K152 PolarHBondContact O-NZ 3.2Å; I71-F156 HydrophobicContact CD1-CZ 4.37Å; I71-F156 HydrophobicContact CG2-CE2 3.75Å; I71-F156 HydrophobicContact CG2-CZ 3.83Å |
| 72 | V | 95.9 | Very high | 93.5 | Very high | 16 Ų | 16 | 52.9 Ų | 52.9 | 10% | 0.097 | 25% | 0.251 | C | S | . | . | trans | -71.3 | 103.1 | 169 | 176.6 | 0 | 0 | 0 | 0 | 108.3 | F88 D89 V91 K152 L153 A154 | V72-F88 HydrophobicContact CG1-CB 3.85Å; V72-F88 HydrophobicContact CG1-CD1 3.96Å; V72-F88 HydrophobicContact CG1-CG 4.2Å; V72-D89 HydrophobicContact CG1-CB 4.27Å; V72-V91 HydrophobicContact CG2-CG1 4.08Å; V72-K152 HydrophobicContact CG2-CB 3.86Å; V72-K152 HydrophobicContact CG2-CD 4.46Å; V72-L153 PolarHBondContact N-O 3.2Å; V72-A154 HydrophobicContact CB-CB 4.41Å; V72-A154 HydrophobicContact CG2-CB 3.77Å | ||
| 73 | R | 94.6 | Very high | 93.3 | Very high | 94 Ų | 94 | 56.4 Ų | 56.4 | 36% | 0.355 | 27% | 0.267 | S | S | . | . | trans | -74.8 | 136.8 | -172.7 | 175.8 | 175.8 | 173.3 | 177.1 | -4.8 | 111.7 | I71 Y75 F88 D89 | I71-R73 PolarHBondContact O-N 2.88Å; R73-Y75 HydrophobicContact CB-CE2 4.1Å; R73-Y75 HydrophobicContact CG-CD2 4.37Å; R73-Y75 HydrophobicContact CG-CE2 4.06Å; R73-F88 CarbonylContact O-C 3.46Å; R73-F88 WeakPolarHBondContact O-CA 3.3Å; R73-D89 PolarHBondContact N-OD2 3.31Å; R73-D89 PolarHBondContact O-N 3.31Å | ||
| 74 | L | 94.9 | Very high | 93.2 | Very high | 7 Ų | 7 | 56.8 Ų | 56.8 | 4% | 0.037 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 126 | 163.9 | -175.5 | 65.6 | 0 | 0 | 0 | 109.8 | C63 R64 D76 D77 L86 F88 | C63-L74 HydrophobicContact CB-CB 3.74Å; C63-L74 HydrophobicContact CB-CD2 3.6Å; C63-L74 HydrophobicContact CB-CG 4.3Å; R64-L74 HydrophobicContact CG-CD2 4Å; L74-D76 WeakPolarHBondContact CD1-O 3.36Å; L74-D77 HydrophobicContact CD2-CB 4.41Å; L74-L86 HydrophobicContact CD1-CB 3.79Å; L74-L86 HydrophobicContact CD1-CD2 4.17Å; L74-L86 HydrophobicContact CD2-CD2 4.24Å; L74-F88 HydrophobicContact CB-CD1 3.99Å; L74-F88 HydrophobicContact CB-CE1 3.85Å; L74-F88 HydrophobicContact CD1-CD1 4.06Å; L74-F88 HydrophobicContact CD1-CD2 4.3Å; L74-F88 HydrophobicContact CD1-CE1 3.88Å; L74-F88 HydrophobicContact CD1-CE2 4.13Å; L74-F88 HydrophobicContact CD1-CG 4.29Å; L74-F88 HydrophobicContact CD1-CZ 3.92Å; L74-F88 HydrophobicContact CG-CE1 4.38Å |
| 75 | Y | 93.1 | Very high | 93.2 | Very high | 101 Ų | 101 | 52.1 Ų | 52.1 | 40% | 0.396 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -46.3 | 176.9 | -71 | -97 | 0 | 0 | 0 | 111.6 | F38 R73 V87 D89 | F38-Y75 AromaticContact CD1-CD2 3.77Å; F38-Y75 HydrophobicContact CD1-CD2 3.77Å; F38-Y75 HydrophobicContact CD1-CE2 4.07Å; F38-Y75 HydrophobicContact CD1-CG 4.1Å; F38-Y75 AromaticContact CE1-CD1 3.77Å; F38-Y75 HydrophobicContact CE1-CD1 3.77Å; F38-Y75 AromaticContact CE1-CD2 3.65Å; F38-Y75 HydrophobicContact CE1-CD2 3.65Å; F38-Y75 AromaticContact CE1-CE1 3.94Å; F38-Y75 HydrophobicContact CE1-CE1 3.94Å; F38-Y75 AromaticContact CE1-CE2 3.83Å; F38-Y75 HydrophobicContact CE1-CE2 3.83Å; F38-Y75 AromaticContact CE1-CG 3.63Å; F38-Y75 HydrophobicContact CE1-CG 3.63Å; F38-Y75 AromaticContact CE1-CZ 3.97Å; F38-Y75 HydrophobicContact CZ-CD1 4.42Å; R73-Y75 HydrophobicContact CB-CE2 4.1Å; R73-Y75 HydrophobicContact CG-CD2 4.37Å; R73-Y75 HydrophobicContact CG-CE2 4.06Å; Y75-V87 PolarHBondContact N-O 3Å; Y75-D89 HydrophobicContact CE2-CB 4.45Å; Y75-D89 WeakPolarHBondContact CE2-OD1 3.29Å; Y75-D89 PolarHBondContact OH-OD1 2.96Å |
| 76 | D | 92.8 | Very high | 93.2 | Very high | 50 Ų | 50 | 48.1 Ų | 48.1 | 27% | 0.267 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 152.7 | -175.5 | -150.4 | -13.3 | 0 | 0 | 0 | 111.2 | Y12 L74 I78 V87 | Y12-D76 HydrophobicContact CE2-CB 4.46Å; L74-D76 WeakPolarHBondContact CD1-O 3.36Å; D76-I78 HydrophobicContact CB-CG1 4.46Å; D76-V87 HydrophobicContact CB-CB 4.06Å; D76-V87 HydrophobicContact CB-CG2 4.2Å; D76-V87 PolarHBondContact N-O 2.87Å; D76-V87 PolarHBondContact O-N 3.43Å |
| 77 | D | 92.3 | Very high | 93.2 | Very high | 25 Ų | 25 | 48.1 Ų | 48.1 | 13% | 0.134 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 98.7 | -177.6 | 164.7 | 39.5 | 0 | 0 | 0 | 108 | R64 L74 H84 Y85 L86 | R64-D77 IonicContact CZ-OD2 2.89Å; R64-D77 IonicContact NE-OD2 3.53Å; R64-D77 IonicContact NH1-OD2 2.96Å; R64-D77 PolarHBondContact NH1-OD2 2.85Å; R64-D77 VanDerWaalsContact NH2-CB 3.33Å; R64-D77 IonicContact NH2-OD2 2.68Å; R64-D77 PolarHBondContact NH2-OD2 2.88Å; L74-D77 HydrophobicContact CD2-CB 4.41Å; D77-H84 IonicContact OD1-CD2 2.81Å; D77-H84 PolarHBondContact OD1-CD2 2.83Å; D77-H84 IonicContact OD1-CE1 3.55Å; D77-H84 IonicContact OD1-NE2 4Å; D77-H84 PolarHBondContact OD1-NE2 2.74Å; D77-H84 IonicContact OD2-NE2 3.52Å; D77-Y85 WeakPolarHBondContact CA-O 3.34Å; D77-L86 HydrophobicContact CB-CD2 3.86Å; D77-L86 WeakPolarHBondContact OD1-CD2 3.49Å |
| 78 | I | 92.8 | Very high | 93.2 | Very high | 12 Ų | 12 | 43.3 Ų | 43.3 | 6% | 0.062 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 125.7 | -168.4 | -55.2 | 169.6 | 0 | 0 | 0 | 109.2 | F8 L11 Y12 D76 Y85 | F8-I78 HydrophobicContact CB-CG2 4.37Å; F8-I78 HydrophobicContact CD2-CD1 4.07Å; L11-I78 HydrophobicContact CD1-CD1 3.98Å; Y12-I78 HydrophobicContact CD2-CD1 4.11Å; Y12-I78 HydrophobicContact CE2-CD1 4Å; D76-I78 HydrophobicContact CB-CG1 4.46Å; I78-Y85 PolarHBondContact N-O 3.19Å; I78-Y85 PolarHBondContact O-N 2.63Å |
| 79 | Q | 90 | Very high | 93 | Very high | 139 Ų | 139 | 43 Ų | 43 | 65% | 0.65 | 21% | 0.208 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -100 | 126.3 | 171.9 | -168.7 | 176.7 | 18.3 | 0 | 0 | 109.7 | ||
| 80 | D | 86.7 | Confident | 92.8 | Very high | 33 Ų | 33 | 40.4 Ų | 40.4 | 18% | 0.176 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | -179.3 | 175.3 | -156 | -18 | 0 | 0 | 0 | 109.4 | K7 G82 F83 Y85 | K7-D80 IonicContact NZ-OD1 2.65Å; K7-D80 PolarHBondContact NZ-OD1 2.99Å; D80-G82 VanDerWaalsContact C-N 3.32Å; D80-G82 PolarHBondContact O-N 2.9Å; D80-F83 PolarHBondContact N-O 3.49Å; D80-F83 PolarHBondContact O-N 3.3Å; D80-F83 VanDerWaalsContact O-O 3.05Å; D80-Y85 HydrophobicContact CB-CD2 4.44Å; D80-Y85 HydrophobicContact CB-CE2 3.91Å |
| 81 | E | 83.8 | Confident | 92.4 | Very high | 146 Ų | 146 | 41.6 Ų | 41.6 | 68% | 0.682 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | 78.5 | -169.8 | -72.4 | 175.1 | -132.1 | 0 | 0 | 114.8 | K7 K46 | K7-E81 IonicContact NZ-OE1 3.5Å; K7-E81 PolarHBondContact NZ-OE1 3.46Å; K46-E81 WeakPolarHBondContact CE-O 3.39Å |
| 82 | G | 86.5 | Confident | 92 | Very high | 12 Ų | 12 | 45.1 Ų | 45.1 | 12% | 0.124 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | 13.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | T45 K46 D80 | T45-G82 PolarHBondContact N-O 3.41Å; T45-G82 WeakPolarHBondContact OG1-CA 3.32Å; T45-G82 PolarHBondContact OG1-O 3.19Å; T45-G82 VanDerWaalsContact OG1-O 3.1Å; K46-G82 VanDerWaalsContact CE-CA 3.45Å; D80-G82 VanDerWaalsContact C-N 3.32Å; D80-G82 PolarHBondContact O-N 2.9Å |
| 83 | F | 90.9 | Very high | 91.7 | Very high | 74 Ų | 74 | 45.1 Ų | 45.1 | 33% | 0.325 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 147.7 | 174.1 | -67.9 | -81.1 | 0 | 0 | 0 | 111.1 | I42 I43 N44 T45 D80 Y85 | I42-F83 HydrophobicContact CG2-CD1 3.93Å; I43-F83 CarbonylContact O-C 3.55Å; I43-F83 VanDerWaalsContact O-CA 3.29Å; I43-F83 WeakPolarHBondContact O-CA 3.34Å; N44-F83 HydrophobicContact CB-CD1 4.38Å; N44-F83 HydrophobicContact CB-CE1 4.14Å; T45-F83 PolarHBondContact OG1-N 2.68Å; D80-F83 PolarHBondContact N-O 3.49Å; D80-F83 PolarHBondContact O-N 3.3Å; D80-F83 VanDerWaalsContact O-O 3.05Å; F83-Y85 HydrophobicContact CB-CD2 4.3Å; F83-Y85 HydrophobicContact CB-CE2 3.53Å |
| 84 | H | 91.5 | Very high | 91.4 | Very high | 12 Ų | 12 | 42.6 Ų | 42.6 | 6% | 0.056 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 128.8 | 172.3 | -144.7 | 143.7 | 0 | 0 | 0 | 108 | I43 T45 L56 D77 | I43-H84 HydrophobicContact CB-CB 4.22Å; I43-H84 PolarHBondContact N-O 2.93Å; I43-H84 PolarHBondContact O-N 2.68Å; T45-H84 HydrophobicContact CG2-CB 3.74Å; L56-H84 HydrophobicContact CD2-CB 3.96Å; L56-H84 WeakPolarHBondContact CD2-ND1 3.2Å; D77-H84 IonicContact OD1-CD2 2.81Å; D77-H84 PolarHBondContact OD1-CD2 2.83Å; D77-H84 IonicContact OD1-CE1 3.55Å; D77-H84 IonicContact OD1-NE2 4Å; D77-H84 PolarHBondContact OD1-NE2 2.74Å; D77-H84 IonicContact OD2-NE2 3.52Å |
| 85 | Y | 94 | Very high | 91.2 | Very high | 28 Ų | 28 | 44.3 Ų | 44.3 | 11% | 0.11 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 111.9 | -177.9 | -61.3 | -99.1 | 0 | 0 | 0 | 109.3 | F8 I42 D77 I78 D80 F83 | F8-Y85 HydrophobicContact CB-CD1 4.15Å; F8-Y85 HydrophobicContact CB-CD2 3.89Å; F8-Y85 HydrophobicContact CB-CE1 4.23Å; F8-Y85 HydrophobicContact CB-CE2 3.97Å; F8-Y85 HydrophobicContact CB-CG 4Å; F8-Y85 HydrophobicContact CD1-CD1 4.08Å; F8-Y85 HydrophobicContact CD1-CE1 4.01Å; F8-Y85 VanDerWaalsContact CD2-CB 3.48Å; F8-Y85 AromaticContact CD2-CD1 3.37Å; F8-Y85 HydrophobicContact CD2-CD1 3.37Å; F8-Y85 HydrophobicContact CD2-CD2 4.18Å; F8-Y85 HydrophobicContact CD2-CE1 4.11Å; F8-Y85 AromaticContact CD2-CG 3.42Å; F8-Y85 HydrophobicContact CD2-CG 3.42Å; F8-Y85 VanDerWaalsContact CD2-CG 3.42Å; F8-Y85 HydrophobicContact CE1-CD1 4.39Å; F8-Y85 HydrophobicContact CE1-CE1 4.47Å; F8-Y85 AromaticContact CE2-CD1 3.7Å; F8-Y85 HydrophobicContact CE2-CD1 3.7Å; F8-Y85 HydrophobicContact CE2-CG 4.08Å; F8-Y85 AromaticContact CG-CD1 3.57Å; F8-Y85 HydrophobicContact CG-CD1 3.57Å; F8-Y85 HydrophobicContact CG-CD2 4.19Å; F8-Y85 AromaticContact CG-CE1 3.83Å; F8-Y85 HydrophobicContact CG-CE1 3.83Å; F8-Y85 HydrophobicContact CG-CE2 4.42Å; F8-Y85 AromaticContact CG-CG 3.78Å; F8-Y85 HydrophobicContact CG-CG 3.78Å; F8-Y85 HydrophobicContact CZ-CD1 4.2Å; I42-Y85 HydrophobicContact CB-CD1 4.38Å; I42-Y85 HydrophobicContact CB-CE1 4.34Å; I42-Y85 HydrophobicContact CD1-CD1 4.46Å; I42-Y85 HydrophobicContact CD1-CE1 4.09Å; I42-Y85 HydrophobicContact CG1-CD1 3.84Å; I42-Y85 HydrophobicContact CG1-CE1 3.89Å; I42-Y85 HydrophobicContact CG2-CD1 4.1Å; I42-Y85 HydrophobicContact CG2-CE1 3.69Å; D77-Y85 WeakPolarHBondContact CA-O 3.34Å; I78-Y85 PolarHBondContact N-O 3.19Å; I78-Y85 PolarHBondContact O-N 2.63Å; D80-Y85 HydrophobicContact CB-CD2 4.44Å; D80-Y85 HydrophobicContact CB-CE2 3.91Å; F83-Y85 HydrophobicContact CB-CD2 4.3Å; F83-Y85 HydrophobicContact CB-CE2 3.53Å |
| 86 | L | 93.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 116.3 | 170.4 | -61.3 | 177.9 | 0 | 0 | 0 | 108.7 | A40 K41 I43 L56 A60 L74 D77 F88 | A40-L86 CarbonylContact C-O 3.5Å; A40-L86 WeakPolarHBondContact CA-O 3.35Å; K41-L86 HydrophobicContact CB-CB 4.31Å; K41-L86 PolarHBondContact N-O 3.21Å; K41-L86 PolarHBondContact O-N 3.17Å; I43-L86 HydrophobicContact CD1-CD1 4.11Å; I43-L86 HydrophobicContact CD1-CG 4.49Å; L56-L86 HydrophobicContact CD1-CD1 3.84Å; A60-L86 HydrophobicContact CB-CD2 3.8Å; L74-L86 HydrophobicContact CD1-CB 3.79Å; L74-L86 HydrophobicContact CD1-CD2 4.17Å; L74-L86 HydrophobicContact CD2-CD2 4.24Å; D77-L86 HydrophobicContact CB-CD2 3.86Å; D77-L86 WeakPolarHBondContact OD1-CD2 3.49Å; L86-F88 HydrophobicContact CB-CD2 4.11Å; L86-F88 HydrophobicContact CB-CE2 3.4Å; L86-F88 HydrophobicContact CB-CZ 4Å; L86-F88 HydrophobicContact CD1-CE2 4.21Å; L86-F88 HydrophobicContact CD1-CZ 4.23Å; L86-F88 HydrophobicContact CG-CE2 4.45Å; L86-F88 WeakPolarHBondContact O-CD2 3.32Å |
| 87 | V | 95.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 105.9 | -173.2 | -175.7 | 0 | 0 | 0 | 0 | 110.4 | F8 Y12 F38 Y75 D76 | F8-V87 HydrophobicContact CD2-CG2 4.47Å; F8-V87 HydrophobicContact CE2-CG2 3.82Å; Y12-V87 HydrophobicContact CE1-CG1 3.83Å; Y12-V87 HydrophobicContact CE2-CG2 4.31Å; F38-V87 HydrophobicContact CB-CG1 3.55Å; F38-V87 HydrophobicContact CD1-CG1 4.23Å; F38-V87 HydrophobicContact CG-CG1 3.86Å; Y75-V87 PolarHBondContact N-O 3Å; D76-V87 HydrophobicContact CB-CB 4.06Å; D76-V87 HydrophobicContact CB-CG2 4.2Å; D76-V87 PolarHBondContact N-O 2.87Å; D76-V87 PolarHBondContact O-N 3.43Å |
| 88 | F | 95.1 | Very high | 91.1 | Very high | 23 Ų | 23 | 38.9 Ų | 38.9 | 10% | 0.101 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 167 | -174.4 | -67.2 | -84.7 | 0 | 0 | 0 | 113.6 | F38 A39 K41 C63 V72 R73 L74 L86 L90 | F38-F88 WeakPolarHBondContact CA-O 3.42Å; F38-F88 WeakPolarHBondContact CB-O 3.31Å; A39-F88 PolarHBondContact N-O 2.93Å; A39-F88 PolarHBondContact O-N 3.03Å; K41-F88 HydrophobicContact CB-CD2 4.29Å; K41-F88 HydrophobicContact CB-CE2 4.05Å; K41-F88 HydrophobicContact CD-CE2 4.15Å; C63-F88 HydrophobicContact CB-CE1 4.16Å; V72-F88 HydrophobicContact CG1-CB 3.85Å; V72-F88 HydrophobicContact CG1-CD1 3.96Å; V72-F88 HydrophobicContact CG1-CG 4.2Å; R73-F88 CarbonylContact O-C 3.46Å; R73-F88 WeakPolarHBondContact O-CA 3.3Å; L74-F88 HydrophobicContact CB-CD1 3.99Å; L74-F88 HydrophobicContact CB-CE1 3.85Å; L74-F88 HydrophobicContact CD1-CD1 4.06Å; L74-F88 HydrophobicContact CD1-CD2 4.3Å; L74-F88 HydrophobicContact CD1-CE1 3.88Å; L74-F88 HydrophobicContact CD1-CE2 4.13Å; L74-F88 HydrophobicContact CD1-CG 4.29Å; L74-F88 HydrophobicContact CD1-CZ 3.92Å; L74-F88 HydrophobicContact CG-CE1 4.38Å; L86-F88 HydrophobicContact CB-CD2 4.11Å; L86-F88 HydrophobicContact CB-CE2 3.4Å; L86-F88 HydrophobicContact CB-CZ 4Å; L86-F88 HydrophobicContact CD1-CE2 4.21Å; L86-F88 HydrophobicContact CD1-CZ 4.23Å; L86-F88 HydrophobicContact CG-CE2 4.45Å; L86-F88 WeakPolarHBondContact O-CD2 3.32Å; F88-L90 PolarHBondContact O-N 2.87Å |
| 89 | D | 93.6 | Very high | 91 | Very high | 26 Ų | 26 | 40.5 Ų | 40.5 | 14% | 0.139 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -44.5 | 130.3 | 160.4 | -77.9 | -36.3 | 0 | 0 | 0 | 110.2 | V72 R73 Y75 V91 K152 | V72-D89 HydrophobicContact CG1-CB 4.27Å; R73-D89 PolarHBondContact N-OD2 3.31Å; R73-D89 PolarHBondContact O-N 3.31Å; Y75-D89 HydrophobicContact CE2-CB 4.45Å; Y75-D89 WeakPolarHBondContact CE2-OD1 3.29Å; Y75-D89 PolarHBondContact OH-OD1 2.96Å; D89-V91 HydrophobicContact CB-CG1 4.44Å; D89-V91 PolarHBondContact O-N 3.44Å; D89-K152 IonicContact OD2-NZ 3.89Å; D89-K152 PolarHBondContact OD2-NZ 3.47Å |
| 90 | L | 93.7 | Very high | 91.1 | Very high | 37 Ų | 37 | 33.9 Ų | 33.9 | 19% | 0.194 | 19% | 0.186 | C | C | . | . | trans | -78.5 | 99.9 | 168.7 | -177.3 | 62.5 | 0 | 0 | 0 | 109.9 | K28 E37 A39 F88 T92 | K28-L90 HydrophobicContact CD-CD2 4.12Å; K28-L90 HydrophobicContact CG-CD2 4.02Å; E37-L90 HydrophobicContact CB-CD2 3.82Å; A39-L90 HydrophobicContact CB-CD1 4.04Å; F88-L90 PolarHBondContact O-N 2.87Å; L90-T92 HydrophobicContact CD2-CG2 4.38Å; L90-T92 HydrophobicContact CG-CG2 3.97Å | ||
| 91 | V | 90.4 | Very high | 91.2 | Very high | 37 Ų | 37 | 34 Ų | 34 | 22% | 0.224 | 19% | 0.188 | C | C | . | . | trans | -89.4 | 129.5 | 173.8 | -64.3 | 0 | 0 | 0 | 0 | 110.9 | V72 D89 L141 K152 | V72-V91 HydrophobicContact CG2-CG1 4.08Å; D89-V91 HydrophobicContact CB-CG1 4.44Å; D89-V91 PolarHBondContact O-N 3.44Å; V91-L141 HydrophobicContact CG2-CB 4.2Å; V91-L141 HydrophobicContact CG2-CD1 3.67Å; V91-K152 HydrophobicContact CG1-CD 3.65Å | ||
| 92 | T | 89.8 | Confident | 91.4 | Very high | 76 Ų | 76 | 31.1 Ų | 31.1 | 47% | 0.466 | 19% | 0.189 | S | C | . | . | trans | -123.6 | -2.6 | -169.7 | 57.3 | 0 | 0 | 0 | 0 | 114.7 | L90 A143 S144 | L90-T92 HydrophobicContact CD2-CG2 4.38Å; L90-T92 HydrophobicContact CG-CG2 3.97Å; T92-A143 PolarHBondContact N-O 3.45Å; T92-A143 PolarHBondContact OG1-O 3.18Å; T92-S144 WeakPolarHBondContact OG1-CA 3.44Å | ||
| 93 | G | 88.7 | Confident | 91.5 | Very high | 15 Ų | 15 | 34.1 Ų | 34.1 | 16% | 0.155 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -77 | -20.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L142 S144 | G93-L142 WeakPolarHBondContact CA-O 3.42Å; G93-L142 PolarHBondContact N-O 2.83Å; G93-S144 VanDerWaalsContact CA-O 3.28Å; G93-S144 WeakPolarHBondContact CA-O 3.44Å |
| 94 | G | 88.9 | Confident | 91.4 | Very high | 41 Ų | 41 | 39.5 Ų | 39.5 | 42% | 0.423 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 85 | -160.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L141 L142 | G94-L141 CarbonylContact O-C 3.48Å; G94-L141 VanDerWaalsContact O-CA 3.29Å; G94-L141 WeakPolarHBondContact O-CA 3.19Å; G94-L142 PolarHBondContact O-N 3.27Å |
| 95 | E | 91.1 | Very high | 91.3 | Very high | 43 Ų | 43 | 44.2 Ų | 44.2 | 20% | 0.201 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 132.7 | 178.3 | -65.8 | 167.9 | -105 | 0 | 0 | 110.9 | F97 E98 D99 L141 R296 K297 | E95-F97 PolarHBondContact O-N 2.96Å; E95-F97 VanDerWaalsContact O-N 3.16Å; E95-E98 HydrophobicContact CB-CB 4.49Å; E95-E98 HydrophobicContact CB-CG 3.85Å; E95-E98 WeakPolarHBondContact O-CB 3.43Å; E95-E98 PolarHBondContact O-N 2.86Å; E95-D99 PolarHBondContact O-N 3.17Å; E95-L141 HydrophobicContact CG-CD2 4.09Å; E95-R296 IonicContact OE2-CZ 2.96Å; E95-R296 VanDerWaalsContact OE2-CZ 3.22Å; E95-R296 IonicContact OE2-NH1 3.83Å; E95-R296 PolarHBondContact OE2-NH1 3.01Å; E95-R296 IonicContact OE2-NH2 3.34Å; E95-R296 PolarHBondContact OE2-NH2 3.31Å; E95-K297 WeakPolarHBondContact OE1-CE 3.13Å; E95-K297 IonicContact OE1-NZ 2.73Å; E95-K297 PolarHBondContact OE1-NZ 3.37Å |
| 96 | L | 94.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -51.4 | -40.4 | 178.2 | 167.4 | 63.7 | 0 | 0 | 0 | 112.6 | E98 D99 I100 C114 I118 L140 L142 V151 | L96-E98 PolarHBondContact O-N 3.3Å; L96-D99 PolarHBondContact O-N 2.83Å; L96-I100 HydrophobicContact CD1-CD1 3.95Å; L96-I100 HydrophobicContact CD1-CG1 4.2Å; L96-I100 HydrophobicContact CG-CD1 3.98Å; L96-I100 WeakPolarHBondContact O-CG1 3.36Å; L96-I100 PolarHBondContact O-N 2.89Å; L96-I100 VanDerWaalsContact O-N 3.08Å; L96-C114 HydrophobicContact CD1-CB 4.46Å; L96-C114 HydrophobicContact CD2-CB 4.07Å; L96-I118 HydrophobicContact CD2-CD1 4.22Å; L96-L140 HydrophobicContact CB-CB 4.25Å; L96-L140 WeakPolarHBondContact CB-O 3.43Å; L96-L140 HydrophobicContact CD2-CB 4.39Å; L96-L140 HydrophobicContact CD2-CD1 4.47Å; L96-L140 PolarHBondContact N-O 3.07Å; L96-L142 HydrophobicContact CB-CG 4.49Å; L96-L142 HydrophobicContact CD1-CD2 4.14Å; L96-L142 HydrophobicContact CD1-CG 4.47Å; L96-V151 HydrophobicContact CD1-CG2 4.13Å; L96-V151 HydrophobicContact CD2-CG1 4.07Å; L96-V151 HydrophobicContact CD2-CG2 4.13Å |
| 97 | F | 92.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.1 | -25 | -176.8 | -82.5 | -124.1 | 0 | 0 | 0 | 112.5 | E95 V101 P137 L140 I201 I204 L205 L289 F292 N293 | E95-F97 PolarHBondContact O-N 2.96Å; E95-F97 VanDerWaalsContact O-N 3.16Å; F97-V101 WeakPolarHBondContact O-CG2 3.43Å; F97-P137 HydrophobicContact CB-CB 4.44Å; F97-P137 HydrophobicContact CD1-CB 3.8Å; F97-P137 HydrophobicContact CD1-CG 3.87Å; F97-P137 HydrophobicContact CD2-CB 3.78Å; F97-P137 HydrophobicContact CD2-CG 4.3Å; F97-P137 HydrophobicContact CE1-CB 3.98Å; F97-P137 HydrophobicContact CE1-CG 3.56Å; F97-P137 HydrophobicContact CE2-CB 3.96Å; F97-P137 HydrophobicContact CE2-CG 4.02Å; F97-P137 HydrophobicContact CG-CB 3.73Å; F97-P137 HydrophobicContact CG-CG 4.27Å; F97-P137 HydrophobicContact CZ-CB 4.08Å; F97-P137 HydrophobicContact CZ-CG 3.67Å; F97-L140 HydrophobicContact CE2-CD1 4.09Å; F97-I201 HydrophobicContact CE2-CG2 4.35Å; F97-I201 HydrophobicContact CZ-CG2 4.18Å; F97-I204 HydrophobicContact CE1-CB 4.21Å; F97-I204 HydrophobicContact CE1-CG2 3.69Å; F97-L205 HydrophobicContact CD2-CD2 4.47Å; F97-L205 HydrophobicContact CE1-CD2 4.5Å; F97-L205 HydrophobicContact CE2-CD2 3.86Å; F97-L205 HydrophobicContact CE2-CG 4.39Å; F97-L205 HydrophobicContact CZ-CD2 3.85Å; F97-L205 HydrophobicContact CZ-CG 4.07Å; F97-L289 HydrophobicContact CD1-CD1 3.6Å; F97-L289 HydrophobicContact CD1-CG 4.37Å; F97-L289 HydrophobicContact CE1-CD1 3.88Å; F97-F292 HydrophobicContact CD1-CD1 4.32Å; F97-F292 AromaticContact CD1-CE1 3.97Å; F97-F292 HydrophobicContact CD1-CE1 3.97Å; F97-F292 HydrophobicContact CE1-CE1 4.03Å; F97-N293 WeakPolarHBondContact CB-OD1 3.38Å; F97-N293 PolarHBondContact O-ND2 2.91Å |
| 98 | E | 89.2 | Confident | 91.6 | Very high | 63 Ų | 63 | 43 Ų | 43 | 29% | 0.294 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -81.7 | -38.7 | 176.7 | -57.2 | -74.3 | 134.8 | 0 | 0 | 110.9 | E95 L96 V101 A102 N293 R296 K297 | E95-E98 HydrophobicContact CB-CB 4.49Å; E95-E98 HydrophobicContact CB-CG 3.85Å; E95-E98 WeakPolarHBondContact O-CB 3.43Å; E95-E98 PolarHBondContact O-N 2.86Å; L96-E98 PolarHBondContact O-N 3.3Å; E98-V101 PolarHBondContact O-N 2.84Å; E98-A102 PolarHBondContact O-N 3.22Å; E98-N293 WeakPolarHBondContact OE1-CB 3.4Å; E98-N293 PolarHBondContact OE1-ND2 3.21Å; E98-R296 IonicContact OE1-NH2 3.96Å; E98-K297 VanDerWaalsContact CD-CE 3.42Å; E98-K297 WeakPolarHBondContact OE1-CE 3.49Å; E98-K297 IonicContact OE1-NZ 2.81Å; E98-K297 PolarHBondContact OE1-NZ 3.4Å; E98-K297 IonicContact OE2-NZ 3.64Å; E98-K297 PolarHBondContact OE2-NZ 3.36Å |
| 99 | D | 91.4 | Very high | 91.7 | Very high | 46 Ų | 46 | 42.8 Ų | 42.8 | 25% | 0.246 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.1 | -43.7 | 174 | 176.8 | 83.7 | 0 | 0 | 0 | 111.5 | E95 L96 V101 A102 R103 L142 | E95-D99 PolarHBondContact O-N 3.17Å; L96-D99 PolarHBondContact O-N 2.83Å; D99-V101 VanDerWaalsContact C-N 3.25Å; D99-V101 PolarHBondContact O-N 2.95Å; D99-A102 WeakPolarHBondContact O-CA 3.42Å; D99-A102 WeakPolarHBondContact O-CB 3.49Å; D99-A102 PolarHBondContact O-N 3.37Å; D99-R103 WeakPolarHBondContact O-CG 3.21Å; D99-R103 PolarHBondContact O-N 2.65Å; D99-R103 IonicContact OD2-CZ 3.21Å; D99-R103 IonicContact OD2-NE 2.85Å; D99-R103 PolarHBondContact OD2-NE 2.79Å; D99-R103 IonicContact OD2-NH2 2.7Å; D99-R103 PolarHBondContact OD2-NH2 2.77Å; D99-L142 HydrophobicContact CB-CD1 3.32Å |
| 100 | I | 91.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.8 | -40.6 | 175 | -67.5 | 164.8 | 0 | 0 | 0 | 111.4 | L96 A102 R103 Y106 L205 L289 | L96-I100 HydrophobicContact CD1-CD1 3.95Å; L96-I100 HydrophobicContact CD1-CG1 4.2Å; L96-I100 HydrophobicContact CG-CD1 3.98Å; L96-I100 WeakPolarHBondContact O-CG1 3.36Å; L96-I100 PolarHBondContact O-N 2.89Å; L96-I100 VanDerWaalsContact O-N 3.08Å; I100-A102 PolarHBondContact O-N 2.85Å; I100-R103 PolarHBondContact O-N 3.34Å; I100-Y106 HydrophobicContact CB-CE2 4.39Å; I100-Y106 HydrophobicContact CD1-CE2 3.97Å; I100-Y106 HydrophobicContact CG1-CD2 4.34Å; I100-Y106 HydrophobicContact CG1-CE2 3.84Å; I100-Y106 HydrophobicContact CG2-CD1 3.88Å; I100-Y106 HydrophobicContact CG2-CD2 3.72Å; I100-Y106 HydrophobicContact CG2-CE1 3.82Å; I100-Y106 HydrophobicContact CG2-CE2 3.66Å; I100-Y106 HydrophobicContact CG2-CG 3.82Å; I100-L205 HydrophobicContact CD1-CD2 3.42Å; I100-L205 VanDerWaalsContact CD1-CD2 3.42Å; I100-L289 HydrophobicContact CB-CD2 3.81Å; I100-L289 HydrophobicContact CD1-CD2 4.49Å; I100-L289 HydrophobicContact CG2-CD2 3.46Å; I100-L289 VanDerWaalsContact CG2-CD2 3.46Å |
| 101 | V | 89 | Confident | 91.9 | Very high | 36 Ų | 36 | 41.8 Ų | 41.8 | 22% | 0.218 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.4 | -22.2 | 177.4 | 172.2 | 0 | 0 | 0 | 0 | 112.9 | F97 E98 D99 L289 K290 | F97-V101 WeakPolarHBondContact O-CG2 3.43Å; E98-V101 PolarHBondContact O-N 2.84Å; D99-V101 VanDerWaalsContact C-N 3.25Å; D99-V101 PolarHBondContact O-N 2.95Å; V101-L289 HydrophobicContact CG2-CB 3.93Å; V101-L289 HydrophobicContact CG2-CD2 3.96Å; V101-L289 HydrophobicContact CG2-CG 3.95Å; V101-K290 HydrophobicContact CG1-CB 3.71Å; V101-K290 HydrophobicContact CG1-CD 4.08Å; V101-K290 HydrophobicContact CG1-CG 3.83Å; V101-K290 HydrophobicContact CG2-CB 4.21Å |
| 102 | A | 88.8 | Confident | 92.3 | Very high | 85 Ų | 85 | 40 Ų | 40 | 70% | 0.702 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -3.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | E98 D99 I100 | E98-A102 PolarHBondContact O-N 3.22Å; D99-A102 WeakPolarHBondContact O-CA 3.42Å; D99-A102 WeakPolarHBondContact O-CB 3.49Å; D99-A102 PolarHBondContact O-N 3.37Å; I100-A102 PolarHBondContact O-N 2.85Å |
| 103 | R | 87.9 | Confident | 92.7 | Very high | 74 Ų | 74 | 39.8 Ų | 39.8 | 28% | 0.279 | 22% | 0.222 | S | C | . | . | trans | -83.4 | 136.5 | 179 | -68.4 | 174 | -169.9 | -162.4 | 6.4 | 111.7 | D99 I100 F105 D110 | D99-R103 WeakPolarHBondContact O-CG 3.21Å; D99-R103 PolarHBondContact O-N 2.65Å; D99-R103 IonicContact OD2-CZ 3.21Å; D99-R103 IonicContact OD2-NE 2.85Å; D99-R103 PolarHBondContact OD2-NE 2.79Å; D99-R103 IonicContact OD2-NH2 2.7Å; D99-R103 PolarHBondContact OD2-NH2 2.77Å; I100-R103 PolarHBondContact O-N 3.34Å; R103-F105 WeakPolarHBondContact CB-O 3.33Å; R103-F105 PolarHBondContact O-N 3.18Å; R103-D110 IonicContact NH1-OD1 3.71Å | ||
| 104 | E | 88 | Confident | 93.1 | Very high | 188 Ų | 188 | 39.2 Ų | 39.2 | 88% | 0.879 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -66.4 | -25.5 | 167.3 | -177.5 | -179.6 | -160.3 | 0 | 0 | 112.6 | H281 | E104-H281 PolarHBondContact O-NE2 3.47Š|
| 105 | F | 90.4 | Very high | 93.6 | Very high | 110 Ų | 110 | 37.3 Ų | 37.3 | 48% | 0.482 | 20% | 0.195 | S | C | . | . | trans | -137.7 | 133.8 | -179.1 | -166.3 | -86.8 | 0 | 0 | 0 | 111.2 | R103 L279 H281 | R103-F105 WeakPolarHBondContact CB-O 3.33Å; R103-F105 PolarHBondContact O-N 3.18Å; F105-L279 VanDerWaalsContact CZ-O 3.27Å; F105-L279 WeakPolarHBondContact CZ-O 3.13Å; F105-H281 HydrophobicContact CD2-CB 3.87Å; F105-H281 HydrophobicContact CE2-CB 3.67Å; F105-H281 HydrophobicContact CZ-CB 4.24Å | ||
| 106 | Y | 94.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | trans | -152 | 130.1 | 178.5 | -174.2 | -112.6 | 0 | 0 | 0 | 110.5 | I100 D110 A111 L205 H281 R282 T285 V286 | I100-Y106 HydrophobicContact CB-CE2 4.39Å; I100-Y106 HydrophobicContact CD1-CE2 3.97Å; I100-Y106 HydrophobicContact CG1-CD2 4.34Å; I100-Y106 HydrophobicContact CG1-CE2 3.84Å; I100-Y106 HydrophobicContact CG2-CD1 3.88Å; I100-Y106 HydrophobicContact CG2-CD2 3.72Å; I100-Y106 HydrophobicContact CG2-CE1 3.82Å; I100-Y106 HydrophobicContact CG2-CE2 3.66Å; I100-Y106 HydrophobicContact CG2-CG 3.82Å; Y106-D110 HydrophobicContact CD2-CB 3.65Å; Y106-D110 HydrophobicContact CE2-CB 3.69Å; Y106-A111 WeakPolarHBondContact OH-CB 3.48Å; Y106-L205 VanDerWaalsContact CE1-O 3.3Å; Y106-L205 WeakPolarHBondContact CE1-O 3.32Å; Y106-L205 PolarHBondContact OH-O 2.92Å; Y106-H281 PolarHBondContact N-ND1 3.2Å; Y106-H281 VanDerWaalsContact N-ND1 3.11Å; Y106-H281 WeakPolarHBondContact O-CA 3.45Å; Y106-H281 PolarHBondContact O-ND1 2.72Å; Y106-R282 PolarHBondContact O-N 3.4Å; Y106-T285 HydrophobicContact CD1-CG2 4.4Å; Y106-T285 HydrophobicContact CE1-CG2 4.15Å; Y106-V286 HydrophobicContact CD1-CG2 4.34Å | ||
| 107 | S | 96.3 | Very high | 94.1 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | trans | -135.9 | 174.7 | -172.2 | 68.4 | 0 | 0 | 0 | 0 | 112.3 | A109 D110 A111 S278 | S107-A109 PolarHBondContact O-N 3.35Å; S107-A109 PolarHBondContact OG-N 3.43Å; S107-D110 WeakPolarHBondContact CB-OD2 3.4Å; S107-D110 PolarHBondContact N-OD2 3.21Å; S107-D110 WeakPolarHBondContact O-CB 3.5Å; S107-D110 PolarHBondContact O-N 3.42Å; S107-D110 PolarHBondContact OG-N 3.15Å; S107-D110 PolarHBondContact OG-OD2 3.21Å; S107-A111 PolarHBondContact O-N 2.96Å; S107-A111 VanDerWaalsContact O-N 3.1Å; S107-S278 WeakPolarHBondContact CB-O 3.49Å | ||
| 108 | E | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.8 | -32.8 | 171.6 | -70.2 | -172.6 | -146.4 | 0 | 0 | 112.2 | D110 A111 S112 L206 V239 T240 W269 A277 S278 | E108-D110 VanDerWaalsContact C-N 3.28Å; E108-D110 PolarHBondContact O-N 3.1Å; E108-A111 PolarHBondContact O-N 2.86Å; E108-S112 WeakPolarHBondContact O-CB 3.42Å; E108-S112 PolarHBondContact O-N 2.92Å; E108-L206 HydrophobicContact CG-CD2 4.09Å; E108-V239 VanDerWaalsContact OE1-CA 3.29Å; E108-V239 WeakPolarHBondContact OE1-CA 3.39Å; E108-T240 WeakPolarHBondContact OE1-CG2 3.23Å; E108-T240 PolarHBondContact OE1-N 3.34Å; E108-T240 WeakPolarHBondContact OE2-CB 3.37Å; E108-T240 VanDerWaalsContact OE2-CG2 3.3Å; E108-T240 WeakPolarHBondContact OE2-CG2 3.36Å; E108-T240 PolarHBondContact OE2-OG1 3.48Å; E108-W269 HydrophobicContact CB-CZ2 4.05Å; E108-W269 WeakPolarHBondContact O-CZ2 3.3Å; E108-W269 PolarHBondContact OE2-NE1 3.33Å; E108-A277 HydrophobicContact CB-CB 4.06Å; E108-S278 WeakPolarHBondContact CB-O 3.15Å; E108-S278 PolarHBondContact N-O 3.26Å; E108-S278 WeakPolarHBondContact OE1-CB 3.03Å |
| 109 | A | 97.2 | Very high | 94.9 | Very high | 18 Ų | 18 | 36.3 Ų | 36.3 | 15% | 0.149 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.1 | -36.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S107 N113 R273 A277 S278 L279 | S107-A109 PolarHBondContact O-N 3.35Å; S107-A109 PolarHBondContact OG-N 3.43Å; A109-N113 WeakPolarHBondContact O-CB 3.29Å; A109-N113 PolarHBondContact O-N 2.95Å; A109-R273 PolarHBondContact O-NH1 3.42Å; A109-A277 HydrophobicContact CB-CB 4.26Å; A109-S278 PolarHBondContact N-O 3.32Å; A109-L279 HydrophobicContact CB-CD2 3.64Å |
| 110 | D | 95.8 | Very high | 95.2 | Very high | 41 Ų | 41 | 36.6 Ų | 36.6 | 22% | 0.219 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.1 | -49.4 | 172.1 | -63.8 | -74.4 | 0 | 0 | 0 | 111.6 | R103 Y106 S107 E108 S112 N113 C114 | R103-D110 IonicContact NH1-OD1 3.71Å; Y106-D110 HydrophobicContact CD2-CB 3.65Å; Y106-D110 HydrophobicContact CE2-CB 3.69Å; S107-D110 WeakPolarHBondContact CB-OD2 3.4Å; S107-D110 PolarHBondContact N-OD2 3.21Å; S107-D110 WeakPolarHBondContact O-CB 3.5Å; S107-D110 PolarHBondContact O-N 3.42Å; S107-D110 PolarHBondContact OG-N 3.15Å; S107-D110 PolarHBondContact OG-OD2 3.21Å; E108-D110 VanDerWaalsContact C-N 3.28Å; E108-D110 PolarHBondContact O-N 3.1Å; D110-S112 VanDerWaalsContact C-N 3.29Å; D110-S112 PolarHBondContact O-N 2.82Å; D110-N113 PolarHBondContact O-N 2.88Å; D110-N113 VanDerWaalsContact O-N 3.08Å; D110-C114 PolarHBondContact O-N 3.32Å; D110-C114 PolarHBondContact O-SG 2.8Å |
| 111 | A | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57 | -43.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y106 S107 E108 N113 C114 M115 L205 L206 W269 | Y106-A111 WeakPolarHBondContact OH-CB 3.48Å; S107-A111 PolarHBondContact O-N 2.96Å; S107-A111 VanDerWaalsContact O-N 3.1Å; E108-A111 PolarHBondContact O-N 2.86Å; A111-N113 VanDerWaalsContact C-N 3.32Å; A111-N113 PolarHBondContact O-N 2.99Å; A111-C114 PolarHBondContact O-N 2.78Å; A111-M115 WeakPolarHBondContact O-CB 3.37Å; A111-M115 PolarHBondContact O-N 3.01Å; A111-L205 HydrophobicContact CB-CB 4.3Å; A111-L206 HydrophobicContact CB-CD2 3.8Å; A111-W269 HydrophobicContact CB-CH2 4.17Å |
| 112 | S | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.8 | -33.8 | 176.5 | 174.4 | 0 | 0 | 0 | 0 | 112.2 | E108 D110 M115 Q116 W269 R273 | E108-S112 WeakPolarHBondContact O-CB 3.42Å; E108-S112 PolarHBondContact O-N 2.92Å; D110-S112 VanDerWaalsContact C-N 3.29Å; D110-S112 PolarHBondContact O-N 2.82Å; S112-M115 PolarHBondContact O-N 2.91Å; S112-Q116 WeakPolarHBondContact O-CB 3.37Å; S112-Q116 PolarHBondContact O-N 2.96Å; S112-W269 VanDerWaalsContact CA-CH2 3.4Å; S112-W269 VanDerWaalsContact CA-CZ3 3.45Å; S112-W269 VanDerWaalsContact CB-CH2 3.44Å; S112-W269 VanDerWaalsContact CB-CZ3 3.47Å; S112-W269 PolarHBondContact OG-O 3.47Å; S112-R273 PolarHBondContact O-NH1 3.42Å; S112-R273 PolarHBondContact O-NH2 3.14Å; S112-R273 PolarHBondContact OG-NH1 3.29Å; S112-R273 PolarHBondContact OG-NH2 3.24Å |
| 113 | N | 97.3 | Very high | 96.5 | Very high | 71 Ų | 71 | 32.1 Ų | 32.1 | 38% | 0.38 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -73.6 | -36.4 | 178.3 | 179.4 | 45.1 | 0 | 0 | 0 | 111.3 | A109 D110 A111 Q117 | A109-N113 WeakPolarHBondContact O-CB 3.29Å; A109-N113 PolarHBondContact O-N 2.95Å; D110-N113 PolarHBondContact O-N 2.88Å; D110-N113 VanDerWaalsContact O-N 3.08Å; A111-N113 VanDerWaalsContact C-N 3.32Å; A111-N113 PolarHBondContact O-N 2.99Å; N113-Q117 PolarHBondContact O-NE2 3.28Å |
| 114 | C | 97.4 | Very high | 97 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 3% | 0.027 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.3 | -46.5 | 170.3 | -60.9 | 0 | 0 | 0 | 0 | 111 | L96 D110 A111 Q116 Q117 I118 V151 | L96-C114 HydrophobicContact CD1-CB 4.46Å; L96-C114 HydrophobicContact CD2-CB 4.07Å; D110-C114 PolarHBondContact O-N 3.32Å; D110-C114 PolarHBondContact O-SG 2.8Å; A111-C114 PolarHBondContact O-N 2.78Å; C114-Q116 PolarHBondContact O-N 3.01Å; C114-Q117 PolarHBondContact O-N 2.74Å; C114-I118 WeakPolarHBondContact O-CD1 3.17Å; C114-I118 VanDerWaalsContact O-CG1 3.28Å; C114-I118 WeakPolarHBondContact O-CG1 3.48Å; C114-I118 PolarHBondContact O-N 3Å; C114-I118 VanDerWaalsContact O-N 3.13Å; C114-V151 HydrophobicContact CB-CG2 4.43Å |
| 115 | M | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.2 | -36.3 | 179.6 | -78.9 | -54.1 | -57.4 | 0 | 0 | 113.5 | A111 S112 Q117 I118 I119 C198 I201 L202 L205 W269 I270 | A111-M115 WeakPolarHBondContact O-CB 3.37Å; A111-M115 PolarHBondContact O-N 3.01Å; S112-M115 PolarHBondContact O-N 2.91Å; M115-Q117 PolarHBondContact O-N 2.78Å; M115-I118 HydrophobicContact CE-CG2 4.47Å; M115-I118 PolarHBondContact O-N 2.86Å; M115-I118 HydrophobicContact SD-CD1 3.8Å; M115-I119 HydrophobicContact CB-CD1 4.34Å; M115-I119 HydrophobicContact CE-CD1 4.12Å; M115-I119 HydrophobicContact CE-CG1 4Å; M115-I119 WeakPolarHBondContact O-CB 3.2Å; M115-I119 VanDerWaalsContact O-CD1 3.31Å; M115-I119 WeakPolarHBondContact O-CD1 3.38Å; M115-I119 WeakPolarHBondContact O-CG1 3.45Å; M115-I119 PolarHBondContact O-N 2.96Å; M115-C198 HydrophobicContact CE-CB 3.92Å; M115-C198 WeakPolarHBondContact CE-O 3.48Å; M115-I201 HydrophobicContact SD-CG2 3.86Å; M115-L202 HydrophobicContact CE-CB 4.08Å; M115-L202 HydrophobicContact CG-CB 4.09Å; M115-L202 HydrophobicContact CG-CD1 3.92Å; M115-L202 HydrophobicContact CG-CG 4.48Å; M115-L202 HydrophobicContact SD-CB 4.06Å; M115-L205 HydrophobicContact CG-CD1 3.77Å; M115-L205 HydrophobicContact SD-CD1 3.68Å; M115-W269 HydrophobicContact CB-CZ3 4.47Å; M115-I270 HydrophobicContact CB-CD1 4.14Å |
| 116 | Q | 98.6 | Very high | 97.9 | Very high | 55 Ų | 55 | 17.8 Ų | 17.8 | 26% | 0.257 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -54.6 | -53.1 | 173.1 | 175.7 | 174 | -9.3 | 0 | 0 | 111.2 | S112 C114 I118 I119 E120 L265 I270 | S112-Q116 WeakPolarHBondContact O-CB 3.37Å; S112-Q116 PolarHBondContact O-N 2.96Å; C114-Q116 PolarHBondContact O-N 3.01Å; Q116-I118 VanDerWaalsContact C-N 3.3Å; Q116-I118 PolarHBondContact O-N 3.4Å; Q116-I119 PolarHBondContact O-N 3.4Å; Q116-E120 HydrophobicContact CG-CG 4.31Å; Q116-E120 VanDerWaalsContact CG-OE1 3.25Å; Q116-E120 WeakPolarHBondContact CG-OE1 3.43Å; Q116-E120 PolarHBondContact NE2-OE1 2.83Å; Q116-E120 WeakPolarHBondContact O-CB 3.47Å; Q116-E120 VanDerWaalsContact O-CG 3.29Å; Q116-E120 WeakPolarHBondContact O-CG 3.37Å; Q116-E120 PolarHBondContact O-N 3.37Å; Q116-L265 HydrophobicContact CG-CD2 4.37Å; Q116-I270 HydrophobicContact CB-CG2 3.97Å; Q116-I270 HydrophobicContact CG-CG2 4.13Å |
| 117 | Q | 98.5 | Very high | 98 | Very high | 27 Ų | 27 | 23.8 Ų | 23.8 | 13% | 0.126 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.1 | -36.3 | -179.6 | -70.3 | 173.3 | 73.7 | 0 | 0 | 113 | N70 N113 C114 M115 S121 A150 V151 | N70-Q117 WeakPolarHBondContact ND2-CB 3.45Å; N70-Q117 PolarHBondContact ND2-OE1 2.9Å; N113-Q117 PolarHBondContact O-NE2 3.28Å; C114-Q117 PolarHBondContact O-N 2.74Å; M115-Q117 PolarHBondContact O-N 2.78Å; Q117-S121 PolarHBondContact O-N 3.42Å; Q117-S121 VanDerWaalsContact O-N 3.1Å; Q117-A150 VanDerWaalsContact OE1-CA 3.29Å; Q117-V151 HydrophobicContact CB-CB 4.07Å; Q117-V151 HydrophobicContact CB-CG2 4.48Å |
| 118 | I | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.9 | -51 | 174.2 | -65.5 | 163.2 | 0 | 0 | 0 | 109.8 | L96 C114 M115 Q116 E120 S121 V122 L135 L140 V151 I201 | L96-I118 HydrophobicContact CD2-CD1 4.22Å; C114-I118 WeakPolarHBondContact O-CD1 3.17Å; C114-I118 VanDerWaalsContact O-CG1 3.28Å; C114-I118 WeakPolarHBondContact O-CG1 3.48Å; C114-I118 PolarHBondContact O-N 3Å; C114-I118 VanDerWaalsContact O-N 3.13Å; M115-I118 HydrophobicContact CE-CG2 4.47Å; M115-I118 PolarHBondContact O-N 2.86Å; M115-I118 HydrophobicContact SD-CD1 3.8Å; Q116-I118 VanDerWaalsContact C-N 3.3Å; Q116-I118 PolarHBondContact O-N 3.4Å; I118-E120 VanDerWaalsContact C-N 3.32Å; I118-E120 PolarHBondContact O-N 2.82Å; I118-S121 PolarHBondContact O-N 3.08Å; I118-S121 PolarHBondContact O-OG 3.02Å; I118-V122 WeakPolarHBondContact O-CG2 3.34Å; I118-V122 PolarHBondContact O-N 2.99Å; I118-L135 HydrophobicContact CG2-CD1 4.24Å; I118-L140 HydrophobicContact CD1-CD1 3.65Å; I118-L140 HydrophobicContact CD1-CD2 4.14Å; I118-L140 HydrophobicContact CD1-CG 4.49Å; I118-L140 HydrophobicContact CG1-CD1 4.33Å; I118-L140 HydrophobicContact CG1-CD2 3.86Å; I118-L140 HydrophobicContact CG2-CD2 4.36Å; I118-V151 HydrophobicContact CG1-CG1 3.98Å; I118-I201 HydrophobicContact CD1-CG2 4.34Å |
| 119 | I | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.5 | -34.6 | -178.7 | -57.6 | 156.9 | 0 | 0 | 0 | 110.7 | M115 Q116 V122 N123 M250 A261 A264 L265 I270 | M115-I119 HydrophobicContact CB-CD1 4.34Å; M115-I119 HydrophobicContact CE-CD1 4.12Å; M115-I119 HydrophobicContact CE-CG1 4Å; M115-I119 WeakPolarHBondContact O-CB 3.2Å; M115-I119 VanDerWaalsContact O-CD1 3.31Å; M115-I119 WeakPolarHBondContact O-CD1 3.38Å; M115-I119 WeakPolarHBondContact O-CG1 3.45Å; M115-I119 PolarHBondContact O-N 2.96Å; Q116-I119 PolarHBondContact O-N 3.4Å; I119-V122 PolarHBondContact O-N 3.47Å; I119-N123 WeakPolarHBondContact O-CB 3.48Å; I119-N123 PolarHBondContact O-N 3.38Å; I119-M250 HydrophobicContact CD1-CE 3.7Å; I119-M250 HydrophobicContact CG1-CE 4.14Å; I119-A261 HydrophobicContact CG2-CB 3.97Å; I119-A261 VanDerWaalsContact CG2-O 3.31Å; I119-A261 WeakPolarHBondContact CG2-O 3.32Å; I119-A264 HydrophobicContact CD1-CB 4.31Å; I119-A264 HydrophobicContact CG2-CB 4.07Å; I119-L265 HydrophobicContact CB-CD2 3.78Å; I119-L265 HydrophobicContact CB-CG 4.3Å; I119-L265 HydrophobicContact CG2-CD1 4.39Å; I119-L265 HydrophobicContact CG2-CD2 3.71Å; I119-L265 HydrophobicContact CG2-CG 3.65Å; I119-I270 HydrophobicContact CD1-CD1 4.12Å; I119-I270 HydrophobicContact CD1-CG1 4.39Å |
| 120 | E | 98.8 | Very high | 98.1 | Very high | 53 Ų | 53 | 28.4 Ų | 28.4 | 25% | 0.248 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.8 | -46.3 | 172.1 | -76.2 | 168.4 | 174.7 | 0 | 0 | 111 | Q116 I118 Y124 L265 | Q116-E120 HydrophobicContact CG-CG 4.31Å; Q116-E120 VanDerWaalsContact CG-OE1 3.25Å; Q116-E120 WeakPolarHBondContact CG-OE1 3.43Å; Q116-E120 PolarHBondContact NE2-OE1 2.83Å; Q116-E120 WeakPolarHBondContact O-CB 3.47Å; Q116-E120 VanDerWaalsContact O-CG 3.29Å; Q116-E120 WeakPolarHBondContact O-CG 3.37Å; Q116-E120 PolarHBondContact O-N 3.37Å; I118-E120 VanDerWaalsContact C-N 3.32Å; I118-E120 PolarHBondContact O-N 2.82Å; E120-Y124 WeakPolarHBondContact O-CB 3.38Å; E120-Y124 PolarHBondContact O-N 2.88Å; E120-L265 HydrophobicContact CG-CD1 4.1Å; E120-L265 HydrophobicContact CG-CD2 3.7Å |
| 121 | S | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.007 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.1 | -43.2 | 175.1 | 78.5 | 0 | 0 | 0 | 0 | 112.9 | N70 Q117 I118 Y124 C125 | N70-S121 VanDerWaalsContact O-CB 3.29Å; N70-S121 WeakPolarHBondContact O-CB 3.25Å; Q117-S121 PolarHBondContact O-N 3.42Å; Q117-S121 VanDerWaalsContact O-N 3.1Å; I118-S121 PolarHBondContact O-N 3.08Å; I118-S121 PolarHBondContact O-OG 3.02Å; S121-Y124 PolarHBondContact O-N 2.86Å; S121-C125 PolarHBondContact O-N 2.85Å; S121-C125 PolarHBondContact O-SG 3.03Å |
| 122 | V | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.012 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68.8 | -43.1 | 179.6 | 171.1 | 0 | 0 | 0 | 0 | 111 | I118 I119 Y124 C125 H126 L135 L153 D194 A261 | I118-V122 WeakPolarHBondContact O-CG2 3.34Å; I118-V122 PolarHBondContact O-N 2.99Å; I119-V122 PolarHBondContact O-N 3.47Å; V122-Y124 VanDerWaalsContact C-N 3.32Å; V122-Y124 PolarHBondContact O-N 2.87Å; V122-C125 WeakPolarHBondContact O-CB 3.48Å; V122-C125 PolarHBondContact O-N 3.44Å; V122-H126 WeakPolarHBondContact CG1-CE1 3.37Å; V122-H126 PolarHBondContact O-CD2 2.82Å; V122-H126 VanDerWaalsContact O-CD2 3.29Å; V122-H126 VanDerWaalsContact O-CG 3.26Å; V122-H126 PolarHBondContact O-N 2.8Å; V122-L135 HydrophobicContact CG2-CD1 4.31Å; V122-L135 HydrophobicContact CG2-CD2 4.27Å; V122-L135 HydrophobicContact CG2-CG 4.28Å; V122-L153 HydrophobicContact CG2-CD2 4.45Å; V122-D194 HydrophobicContact CG1-CB 3.83Å; V122-A261 HydrophobicContact CG1-CB 4.25Å |
| 123 | N | 98.7 | Very high | 98.3 | Very high | 24 Ų | 24 | 27.8 Ų | 27.8 | 13% | 0.128 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.6 | -42 | 175.1 | 179.5 | 64.1 | 0 | 0 | 0 | 111.4 | I119 H126 Q127 A261 A262 L265 | I119-N123 WeakPolarHBondContact O-CB 3.48Å; I119-N123 PolarHBondContact O-N 3.38Å; N123-H126 PolarHBondContact O-N 2.84Å; N123-Q127 PolarHBondContact ND2-NE2 3.12Å; N123-Q127 VanDerWaalsContact ND2-NE2 3.18Å; N123-Q127 WeakPolarHBondContact O-CB 3.23Å; N123-Q127 VanDerWaalsContact O-CG 3.3Å; N123-Q127 WeakPolarHBondContact O-CG 3.49Å; N123-Q127 PolarHBondContact O-N 3.23Å; N123-A261 HydrophobicContact CB-CB 3.73Å; N123-A262 WeakPolarHBondContact OD1-CB 3.43Å; N123-A262 PolarHBondContact OD1-N 2.88Å; N123-L265 HydrophobicContact CB-CD1 4.08Å |
| 124 | Y | 98.6 | Very high | 98.3 | Very high | 53 Ų | 53 | 25 Ų | 25 | 21% | 0.208 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.7 | -40.7 | 175.4 | -176.3 | -90.2 | 0 | 0 | 0 | 112.2 | L66 K67 H68 I71 E120 S121 V122 Q127 N128 | L66-Y124 HydrophobicContact CD2-CD1 4.04Å; L66-Y124 HydrophobicContact CD2-CE1 3.97Å; K67-Y124 PolarHBondContact N-OH 3.08Å; K67-Y124 PolarHBondContact O-OH 3.35Å; H68-Y124 HydrophobicContact CB-CD1 3.72Å; H68-Y124 HydrophobicContact CB-CD2 4.39Å; H68-Y124 HydrophobicContact CB-CE1 3.97Å; H68-Y124 HydrophobicContact CB-CG 3.94Å; H68-Y124 AromaticContact CD2-CD2 3.58Å; H68-Y124 AromaticContact CD2-CG 3.57Å; H68-Y124 AromaticContact CG-CG 3.91Å; I71-Y124 HydrophobicContact CD1-CD1 3.94Å; E120-Y124 WeakPolarHBondContact O-CB 3.38Å; E120-Y124 PolarHBondContact O-N 2.88Å; S121-Y124 PolarHBondContact O-N 2.86Å; V122-Y124 VanDerWaalsContact C-N 3.32Å; V122-Y124 PolarHBondContact O-N 2.87Å; Y124-Q127 PolarHBondContact O-N 2.79Å; Y124-N128 WeakPolarHBondContact CE1-ND2 3.26Å; Y124-N128 PolarHBondContact O-N 2.96Å; Y124-N128 PolarHBondContact O-ND2 3.47Å |
| 125 | C | 98.5 | Very high | 98.3 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.007 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.2 | -48.5 | 170.2 | -67.4 | 0 | 0 | 0 | 0 | 111.3 | S121 V122 Q127 N128 N129 I130 | S121-C125 PolarHBondContact O-N 2.85Å; S121-C125 PolarHBondContact O-SG 3.03Å; V122-C125 WeakPolarHBondContact O-CB 3.48Å; V122-C125 PolarHBondContact O-N 3.44Å; C125-Q127 VanDerWaalsContact C-N 3.34Å; C125-Q127 PolarHBondContact O-N 2.92Å; C125-N128 CarbonylContact O-C 3.54Å; C125-N128 WeakPolarHBondContact O-CA 3.35Å; C125-N128 PolarHBondContact O-N 2.93Å; C125-N129 PolarHBondContact O-N 2.72Å; C125-N129 VanDerWaalsContact O-N 3.15Å; C125-I130 CarbonylContact C-O 3.55Å; C125-I130 VanDerWaalsContact C-O 3.31Å; C125-I130 HydrophobicContact CB-CB 4.14Å; C125-I130 HydrophobicContact CB-CG2 4.43Å; C125-I130 PolarHBondContact O-N 3.44Å |
| 126 | H | 98.4 | Very high | 98.2 | Very high | 16 Ų | 16 | 26.3 Ų | 26.3 | 7% | 0.074 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.9 | -35.8 | -178.2 | -70.1 | -176.2 | 0 | 0 | 0 | 113.1 | V122 N123 N128 N129 I130 K191 D194 | V122-H126 WeakPolarHBondContact CG1-CE1 3.37Å; V122-H126 PolarHBondContact O-CD2 2.82Å; V122-H126 VanDerWaalsContact O-CD2 3.29Å; V122-H126 VanDerWaalsContact O-CG 3.26Å; V122-H126 PolarHBondContact O-N 2.8Å; N123-H126 PolarHBondContact O-N 2.84Å; H126-N128 VanDerWaalsContact C-N 3.32Å; H126-N129 PolarHBondContact O-N 3.45Å; H126-N129 VanDerWaalsContact O-N 3.12Å; H126-I130 PolarHBondContact CD2-O 3.12Å; H126-K191 HydrophobicContact CB-CD 4.02Å; H126-K191 HydrophobicContact CB-CG 4.2Å; H126-K191 PolarHBondContact CE1-O 2.85Å; H126-K191 PolarHBondContact NE2-O 2.77Å; H126-K191 WeakPolarHBondContact O-CE 3.38Å; H126-K191 PolarHBondContact O-NZ 2.82Å; H126-K191 VanDerWaalsContact O-NZ 3.13Å; H126-D194 IonicContact CD2-OD2 3.35Å; H126-D194 IonicContact CE1-OD2 2.68Å; H126-D194 IonicContact NE2-OD2 3.19Å; H126-D194 PolarHBondContact NE2-OD2 2.79Å |
| 127 | Q | 97.7 | Very high | 97.9 | Very high | 127 Ų | 127 | 23.7 Ų | 23.7 | 59% | 0.593 | 11% | 0.113 | S | C | * | . | H | α-helix | trans | -65.7 | -33.6 | 172.4 | -74.3 | 174.6 | -10.7 | 0 | 0 | 112.5 | N123 Y124 C125 N129 | N123-Q127 PolarHBondContact ND2-NE2 3.12Å; N123-Q127 VanDerWaalsContact ND2-NE2 3.18Å; N123-Q127 WeakPolarHBondContact O-CB 3.23Å; N123-Q127 VanDerWaalsContact O-CG 3.3Å; N123-Q127 WeakPolarHBondContact O-CG 3.49Å; N123-Q127 PolarHBondContact O-N 3.23Å; Y124-Q127 PolarHBondContact O-N 2.79Å; C125-Q127 VanDerWaalsContact C-N 3.34Å; C125-Q127 PolarHBondContact O-N 2.92Å; Q127-N129 PolarHBondContact O-N 3.11Å |
| 128 | N | 97.6 | Very high | 97.4 | Very high | 63 Ų | 63 | 25.2 Ų | 25.2 | 34% | 0.337 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 11.5 | 172.5 | -71.5 | -85.8 | 0 | 0 | 0 | 113 | L66 Y124 C125 H126 I130 | L66-N128 HydrophobicContact CD2-CB 4.16Å; Y124-N128 WeakPolarHBondContact CE1-ND2 3.26Å; Y124-N128 PolarHBondContact O-N 2.96Å; Y124-N128 PolarHBondContact O-ND2 3.47Å; C125-N128 CarbonylContact O-C 3.54Å; C125-N128 WeakPolarHBondContact O-CA 3.35Å; C125-N128 PolarHBondContact O-N 2.93Å; H126-N128 VanDerWaalsContact C-N 3.32Å; N128-I130 HydrophobicContact CB-CG1 4.4Å; N128-I130 PolarHBondContact O-N 3.11Å |
| 129 | N | 97.6 | Very high | 97.2 | Very high | 55 Ų | 55 | 25.7 Ų | 25.7 | 29% | 0.294 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 34.1 | -175.7 | -57.8 | -58.9 | 0 | 0 | 0 | 114.3 | C125 H126 Q127 E161 V162 G164 K191 | C125-N129 PolarHBondContact O-N 2.72Å; C125-N129 VanDerWaalsContact O-N 3.15Å; H126-N129 PolarHBondContact O-N 3.45Å; H126-N129 VanDerWaalsContact O-N 3.12Å; Q127-N129 PolarHBondContact O-N 3.11Å; N129-E161 CarbonylContact O-C 3.31Å; N129-E161 WeakPolarHBondContact O-CA 3.18Å; N129-V162 HydrophobicContact CB-CG2 4.03Å; N129-V162 WeakPolarHBondContact CB-O 3.46Å; N129-V162 WeakPolarHBondContact O-CG2 3.45Å; N129-V162 PolarHBondContact O-N 2.86Å; N129-G164 WeakPolarHBondContact OD1-CA 3.45Å; N129-G164 PolarHBondContact OD1-O 3.1Å; N129-K191 WeakPolarHBondContact OD1-CE 3.37Å; N129-K191 PolarHBondContact OD1-NZ 2.88Å |
| 130 | I | 98 | Very high | 97.2 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 137.3 | 169.4 | -57.2 | -53.4 | 0 | 0 | 0 | 109.5 | I62 L66 C125 H126 N128 F156 A159 I160 E161 | I62-I130 HydrophobicContact CB-CD1 4.45Å; I62-I130 HydrophobicContact CD1-CD1 4.21Å; I62-I130 HydrophobicContact CG1-CD1 3.84Å; I62-I130 HydrophobicContact CG2-CD1 4.07Å; I62-I130 HydrophobicContact CG2-CG1 4.12Å; I62-I130 HydrophobicContact CG2-CG2 3.73Å; L66-I130 HydrophobicContact CD1-CG2 4.32Å; L66-I130 HydrophobicContact CD2-CG1 4.14Å; C125-I130 CarbonylContact C-O 3.55Å; C125-I130 VanDerWaalsContact C-O 3.31Å; C125-I130 HydrophobicContact CB-CB 4.14Å; C125-I130 HydrophobicContact CB-CG2 4.43Å; C125-I130 PolarHBondContact O-N 3.44Å; H126-I130 PolarHBondContact CD2-O 3.12Å; N128-I130 HydrophobicContact CB-CG1 4.4Å; N128-I130 PolarHBondContact O-N 3.11Å; I130-F156 HydrophobicContact CG2-CD1 4.47Å; I130-A159 HydrophobicContact CG2-CB 4.19Å; I130-I160 WeakPolarHBondContact CA-O 3.46Å; I130-E161 HydrophobicContact CD1-CB 4.35Å; I130-E161 HydrophobicContact CD1-CG 3.5Å |
| 131 | V | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 129.2 | 169.1 | -173 | 0 | 0 | 0 | 0 | 108.1 | R133 A159 I160 V162 K191 V193 D194 | V131-R133 HydrophobicContact CB-CG 4.42Å; V131-R133 HydrophobicContact CG1-CG 3.86Å; V131-A159 CarbonylContact O-C 3.47Å; V131-A159 VanDerWaalsContact O-CA 3.24Å; V131-A159 WeakPolarHBondContact O-CA 3.44Å; V131-I160 HydrophobicContact CB-CD1 4.21Å; V131-I160 HydrophobicContact CB-CG1 3.85Å; V131-I160 PolarHBondContact N-O 2.66Å; V131-I160 PolarHBondContact O-N 2.95Å; V131-V162 HydrophobicContact CG2-CG1 3.63Å; V131-V162 HydrophobicContact CG2-CG2 4.05Å; V131-K191 HydrophobicContact CG2-CB 4.41Å; V131-K191 HydrophobicContact CG2-CG 3.86Å; V131-V193 HydrophobicContact CG1-CG2 3.52Å; V131-D194 WeakPolarHBondContact CA-OD2 3.39Å; V131-D194 VanDerWaalsContact CG1-OD2 3.3Å; V131-D194 WeakPolarHBondContact CG1-OD2 3.3Å |
| 132 | H | 98.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | trans | -81.1 | -40.4 | -170.2 | -170.1 | -76.6 | 0 | 0 | 0 | 112.7 | D134 L135 A154 D155 F156 L158 D194 | H132-D134 PolarHBondContact CE1-O 3.06Å; H132-D134 PolarHBondContact ND1-N 3.03Å; H132-D134 PolarHBondContact O-N 3.36Å; H132-L135 HydrophobicContact CB-CD2 3.48Å; H132-L135 VanDerWaalsContact CB-CD2 3.48Å; H132-L135 VanDerWaalsContact CG-CD2 3.42Å; H132-A154 PolarHBondContact NE2-O 3.37Å; H132-D155 PolarHBondContact CE1-O 3.33Å; H132-D155 PolarHBondContact NE2-O 3.08Å; H132-F156 AromaticContact CD2-CD1 3.61Å; H132-F156 AromaticContact CD2-CE1 3.47Å; H132-F156 VanDerWaalsContact CD2-CE1 3.47Å; H132-F156 WeakPolarHBondContact CD2-CE1 3.34Å; H132-F156 AromaticContact CD2-CZ 3.83Å; H132-L158 CarbonylContact O-C 3.58Å; H132-D194 PolarHBondContact N-OD1 3.15Å; H132-D194 PolarHBondContact N-OD2 3.26Å | ||
| 133 | R | 97.8 | Very high | 96.6 | Very high | 26 Ų | 26 | 26.1 Ų | 26.1 | 10% | 0.098 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 65.2 | -7.1 | 177.2 | -49.8 | -168.7 | -63.4 | 167 | 1.6 | 117.5 | V131 L158 I160 F170 G174 Y189 V193 D194 | V131-R133 HydrophobicContact CB-CG 4.42Å; V131-R133 HydrophobicContact CG1-CG 3.86Å; R133-L158 VanDerWaalsContact CZ-O 3.22Å; R133-L158 PolarHBondContact NE-O 2.84Å; R133-L158 PolarHBondContact NH2-O 3.29Å; R133-I160 HydrophobicContact CG-CD1 4.46Å; R133-I160 HydrophobicContact CG-CG1 4.31Å; R133-I160 VanDerWaalsContact CZ-CG2 3.5Å; R133-F170 PolarHBondContact NH1-O 3.06Å; R133-G174 WeakPolarHBondContact O-CA 3.28Å; R133-Y189 HydrophobicContact CG-CE2 4.45Å; R133-Y189 PolarHBondContact NH1-OH 3.07Å; R133-V193 HydrophobicContact CG-CG2 4.22Å; R133-D194 PolarHBondContact N-OD1 2.95Å |
| 134 | D | 97 | Very high | 96.3 | Very high | 12 Ų | 12 | 26.6 Ų | 26.6 | 6% | 0.064 | 14% | 0.135 | C | C | . | . | trans | -135.8 | 48.1 | 177.3 | -157.1 | 35.2 | 0 | 0 | 0 | 112.5 | H132 K136 N139 L158 T175 | H132-D134 PolarHBondContact CE1-O 3.06Å; H132-D134 PolarHBondContact ND1-N 3.03Å; H132-D134 PolarHBondContact O-N 3.36Å; D134-K136 PolarHBondContact O-N 3.35Å; D134-K136 IonicContact OD1-NZ 3.68Å; D134-K136 WeakPolarHBondContact OD2-CE 3.33Å; D134-K136 IonicContact OD2-NZ 3.02Å; D134-K136 PolarHBondContact OD2-NZ 3.22Å; D134-N139 PolarHBondContact O-ND2 3.23Å; D134-L158 HydrophobicContact CB-CB 4.25Å; D134-L158 HydrophobicContact CB-CD1 3.89Å; D134-T175 WeakPolarHBondContact OD1-CB 3.45Å; D134-T175 PolarHBondContact OD1-N 2.77Å; D134-T175 PolarHBondContact OD1-OG1 2.9Å | ||
| 135 | L | 98.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | trans | -68.3 | 121.1 | 169.9 | -102.8 | -67.4 | 0 | 0 | 0 | 109.4 | I118 V122 H132 L140 L153 A197 I201 | I118-L135 HydrophobicContact CG2-CD1 4.24Å; V122-L135 HydrophobicContact CG2-CD1 4.31Å; V122-L135 HydrophobicContact CG2-CD2 4.27Å; V122-L135 HydrophobicContact CG2-CG 4.28Å; H132-L135 HydrophobicContact CB-CD2 3.48Å; H132-L135 VanDerWaalsContact CB-CD2 3.48Å; H132-L135 VanDerWaalsContact CG-CD2 3.42Å; L135-L140 HydrophobicContact CD1-CD2 4.3Å; L135-L153 HydrophobicContact CD1-CD1 3.71Å; L135-L153 HydrophobicContact CD2-CD1 4.08Å; L135-L153 HydrophobicContact CD2-CD2 4.31Å; L135-A197 HydrophobicContact CB-CB 3.53Å; L135-I201 HydrophobicContact CB-CD1 4.02Å; L135-I201 HydrophobicContact CD1-CD1 4.08Å | ||
| 136 | K | 95.5 | Very high | 95.1 | Very high | 32 Ų | 32 | 35.8 Ų | 35.8 | 14% | 0.139 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -165.7 | 163.7 | -177.4 | 64.7 | -170.3 | -171.1 | -158.9 | 0 | 111 | D134 E138 N139 T175 Y178 | D134-K136 PolarHBondContact O-N 3.35Å; D134-K136 IonicContact OD1-NZ 3.68Å; D134-K136 WeakPolarHBondContact OD2-CE 3.33Å; D134-K136 IonicContact OD2-NZ 3.02Å; D134-K136 PolarHBondContact OD2-NZ 3.22Å; K136-E138 VanDerWaalsContact C-N 3.29Å; K136-E138 HydrophobicContact CD-CB 4.41Å; K136-E138 WeakPolarHBondContact CD-OE2 3.5Å; K136-E138 HydrophobicContact CG-CB 4.15Å; K136-E138 WeakPolarHBondContact CG-OE2 3.47Å; K136-E138 PolarHBondContact O-N 3.22Å; K136-N139 HydrophobicContact CG-CB 4.25Å; K136-N139 PolarHBondContact O-N 3.14Å; K136-T175 HydrophobicContact CD-CG2 4.32Å; K136-T175 VanDerWaalsContact CD-OG1 3.24Å; K136-T175 WeakPolarHBondContact CD-OG1 3.45Å; K136-T175 PolarHBondContact NZ-OG1 2.87Å; K136-T175 VanDerWaalsContact NZ-OG1 3.11Å; K136-Y178 HydrophobicContact CB-CD1 4.48Å; K136-Y178 HydrophobicContact CB-CD2 3.92Å; K136-Y178 HydrophobicContact CB-CE1 4.43Å; K136-Y178 HydrophobicContact CB-CE2 3.86Å; K136-Y178 HydrophobicContact CB-CG 4.26Å |
| 137 | P | 93.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -51.5 | -38.9 | -179 | -31.1 | 38 | 0 | 0 | 0 | 115.4 | F97 N139 L140 Y178 F292 | F97-P137 HydrophobicContact CB-CB 4.44Å; F97-P137 HydrophobicContact CD1-CB 3.8Å; F97-P137 HydrophobicContact CD1-CG 3.87Å; F97-P137 HydrophobicContact CD2-CB 3.78Å; F97-P137 HydrophobicContact CD2-CG 4.3Å; F97-P137 HydrophobicContact CE1-CB 3.98Å; F97-P137 HydrophobicContact CE1-CG 3.56Å; F97-P137 HydrophobicContact CE2-CB 3.96Å; F97-P137 HydrophobicContact CE2-CG 4.02Å; F97-P137 HydrophobicContact CG-CB 3.73Å; F97-P137 HydrophobicContact CG-CG 4.27Å; F97-P137 HydrophobicContact CZ-CB 4.08Å; F97-P137 HydrophobicContact CZ-CG 3.67Å; P137-N139 PolarHBondContact O-N 3Å; P137-L140 PolarHBondContact O-N 2.9Å; P137-Y178 VanDerWaalsContact CD-CZ 3.41Å; P137-Y178 WeakPolarHBondContact CD-OH 3.38Å; P137-Y178 WeakPolarHBondContact CG-OH 3.46Å; P137-F292 HydrophobicContact CG-CE1 4.07Å; P137-F292 HydrophobicContact CG-CZ 4.29Å |
| 138 | E | 88.4 | Confident | 93.7 | Very high | 59 Ų | 59 | 43.1 Ų | 43.1 | 28% | 0.276 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -56.6 | -32.5 | 177.5 | -67.7 | 70.9 | -163.4 | 0 | 0 | 112.8 | K136 R296 | K136-E138 VanDerWaalsContact C-N 3.29Å; K136-E138 HydrophobicContact CD-CB 4.41Å; K136-E138 WeakPolarHBondContact CD-OE2 3.5Å; K136-E138 HydrophobicContact CG-CB 4.15Å; K136-E138 WeakPolarHBondContact CG-OE2 3.47Å; K136-E138 PolarHBondContact O-N 3.22Å; E138-R296 WeakPolarHBondContact OE1-CD 3.42Å; E138-R296 WeakPolarHBondContact OE1-CG 3.4Å; E138-R296 IonicContact OE1-CZ 2.71Å; E138-R296 IonicContact OE1-NE 2.74Å; E138-R296 IonicContact OE1-NH1 2.8Å; E138-R296 PolarHBondContact OE1-NH1 3.23Å; E138-R296 IonicContact OE2-NH1 3.23Å |
| 139 | N | 94.7 | Very high | 93.4 | Very high | 10 Ų | 10 | 40.9 Ų | 40.9 | 5% | 0.053 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -96 | 8 | -172.2 | -70.1 | -6.2 | 0 | 0 | 0 | 112.1 | D134 K136 P137 L153 A154 | D134-N139 PolarHBondContact O-ND2 3.23Å; K136-N139 HydrophobicContact CG-CB 4.25Å; K136-N139 PolarHBondContact O-N 3.14Å; P137-N139 PolarHBondContact O-N 3Å; N139-L153 WeakPolarHBondContact O-CA 3.46Å; N139-A154 WeakPolarHBondContact CB-O 3.42Å; N139-A154 PolarHBondContact O-N 2.94Å |
| 140 | L | 97.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 95.5 | 179.5 | -63.9 | 179.6 | 0 | 0 | 0 | 109.9 | L96 F97 I118 L135 P137 L153 I201 | L96-L140 HydrophobicContact CB-CB 4.25Å; L96-L140 WeakPolarHBondContact CB-O 3.43Å; L96-L140 HydrophobicContact CD2-CB 4.39Å; L96-L140 HydrophobicContact CD2-CD1 4.47Å; L96-L140 PolarHBondContact N-O 3.07Å; F97-L140 HydrophobicContact CE2-CD1 4.09Å; I118-L140 HydrophobicContact CD1-CD1 3.65Å; I118-L140 HydrophobicContact CD1-CD2 4.14Å; I118-L140 HydrophobicContact CD1-CG 4.49Å; I118-L140 HydrophobicContact CG1-CD1 4.33Å; I118-L140 HydrophobicContact CG1-CD2 3.86Å; I118-L140 HydrophobicContact CG2-CD2 4.36Å; L135-L140 HydrophobicContact CD1-CD2 4.3Å; P137-L140 PolarHBondContact O-N 2.9Å; L140-L153 HydrophobicContact CD2-CD1 4.2Å; L140-I201 HydrophobicContact CD1-CD1 4.2Å; L140-I201 HydrophobicContact CD1-CG2 3.91Å |
| 141 | L | 94.8 | Very high | 93.4 | Very high | 36 Ų | 36 | 40 Ų | 40 | 19% | 0.188 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 155.8 | -173.8 | -54.9 | -178.4 | 0 | 0 | 0 | 111.3 | V91 G94 E95 V151 K152 A154 | V91-L141 HydrophobicContact CG2-CB 4.2Å; V91-L141 HydrophobicContact CG2-CD1 3.67Å; G94-L141 CarbonylContact O-C 3.48Å; G94-L141 VanDerWaalsContact O-CA 3.29Å; G94-L141 WeakPolarHBondContact O-CA 3.19Å; E95-L141 HydrophobicContact CG-CD2 4.09Å; L141-V151 CarbonylContact O-C 3.39Å; L141-V151 WeakPolarHBondContact O-CA 3.46Å; L141-K152 PolarHBondContact N-O 3.28Å; L141-K152 PolarHBondContact O-N 2.79Å; L141-A154 HydrophobicContact CD1-CB 3.71Å; L141-A154 HydrophobicContact CG-CB 4.1Å |
| 142 | L | 95 | Very high | 93.4 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 135.1 | 170.7 | -71.7 | 174.2 | 0 | 0 | 0 | 110.6 | G93 G94 L96 D99 S144 V151 | G93-L142 WeakPolarHBondContact CA-O 3.42Å; G93-L142 PolarHBondContact N-O 2.83Å; G94-L142 PolarHBondContact O-N 3.27Å; L96-L142 HydrophobicContact CB-CG 4.49Å; L96-L142 HydrophobicContact CD1-CD2 4.14Å; L96-L142 HydrophobicContact CD1-CG 4.47Å; D99-L142 HydrophobicContact CB-CD1 3.32Å; L142-S144 PolarHBondContact O-N 3.07Å; L142-V151 HydrophobicContact CD2-CG2 4Å |
| 143 | A | 94 | Very high | 93.4 | Very high | 26 Ų | 26 | 41.2 Ų | 41.2 | 22% | 0.215 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -55.6 | -39.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T92 A150 K152 | T92-A143 PolarHBondContact N-O 3.45Å; T92-A143 PolarHBondContact OG1-O 3.18Å; A143-A150 PolarHBondContact N-O 3.43Å; A143-K152 HydrophobicContact CB-CD 4.12Å |
| 144 | S | 92.2 | Very high | 93.2 | Very high | 35 Ų | 35 | 40.5 Ų | 40.5 | 25% | 0.245 | 23% | 0.232 | C | C | . | . | trans | -154.6 | 176.4 | -180 | 66.3 | 0 | 0 | 0 | 0 | 110.9 | T92 G93 L142 S146 A149 | T92-S144 WeakPolarHBondContact OG1-CA 3.44Å; G93-S144 VanDerWaalsContact CA-O 3.28Å; G93-S144 WeakPolarHBondContact CA-O 3.44Å; L142-S144 PolarHBondContact O-N 3.07Å; S144-S146 VanDerWaalsContact C-N 3.29Å; S144-S146 PolarHBondContact OG-N 2.81Å; S144-S146 PolarHBondContact OG-OG 2.65Å; S144-A149 WeakPolarHBondContact O-CB 3.5Å | ||
| 145 | K | 87.3 | Confident | 92.9 | Very high | 174 Ų | 174 | 43.6 Ų | 43.6 | 76% | 0.757 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -83.8 | 6.2 | 173 | -60.9 | -174 | 177.8 | -175.9 | 0 | 114.1 | ||
| 146 | S | 86.4 | Confident | 92.6 | Very high | 73 Ų | 73 | 43.8 Ų | 43.8 | 51% | 0.51 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -74.8 | 141.6 | 179.3 | 58.3 | 0 | 0 | 0 | 0 | 110.8 | S144 G148 A149 | S144-S146 VanDerWaalsContact C-N 3.29Å; S144-S146 PolarHBondContact OG-N 2.81Å; S144-S146 PolarHBondContact OG-OG 2.65Å; S146-G148 PolarHBondContact O-N 2.71Å; S146-A149 VanDerWaalsContact O-CB 3.27Å; S146-A149 WeakPolarHBondContact O-CB 3.49Å; S146-A149 PolarHBondContact O-N 3.05Å |
| 147 | K | 80.6 | Confident | 92.4 | Very high | 220 Ų | 220 | 43 Ų | 43 | 96% | 0.957 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 125.5 | 172.5 | -175.4 | 172.6 | -177.2 | 173.1 | 0 | 110 | ||
| 148 | G | 84.8 | Confident | 92.3 | Very high | 76 Ų | 76 | 45.9 Ų | 45.9 | 78% | 0.784 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 15.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S146 | S146-G148 PolarHBondContact O-N 2.71Š|
| 149 | A | 93 | Very high | 92.7 | Very high | 17 Ų | 17 | 43 Ų | 43 | 14% | 0.14 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 140 | 171 | 0 | 0 | 0 | 0 | 0 | 111.7 | S144 S146 | S144-A149 WeakPolarHBondContact O-CB 3.5Å; S146-A149 VanDerWaalsContact O-CB 3.27Å; S146-A149 WeakPolarHBondContact O-CB 3.49Å; S146-A149 PolarHBondContact O-N 3.05Å |
| 150 | A | 96.9 | Very high | 92.7 | Very high | 34 Ų | 34 | 42.9 Ų | 42.9 | 28% | 0.281 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 140.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q117 A143 | Q117-A150 VanDerWaalsContact OE1-CA 3.29Å; A143-A150 PolarHBondContact N-O 3.43Å |
| 151 | V | 98 | Very high | 92.7 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 132.9 | 167.3 | -174.6 | 0 | 0 | 0 | 0 | 108.5 | N70 L96 C114 Q117 I118 L141 L142 | N70-V151 VanDerWaalsContact CA-O 3.31Å; N70-V151 WeakPolarHBondContact CA-O 3.35Å; N70-V151 VanDerWaalsContact CB-O 3.24Å; N70-V151 WeakPolarHBondContact CB-O 3.19Å; N70-V151 PolarHBondContact ND2-O 3.23Å; L96-V151 HydrophobicContact CD1-CG2 4.13Å; L96-V151 HydrophobicContact CD2-CG1 4.07Å; L96-V151 HydrophobicContact CD2-CG2 4.13Å; C114-V151 HydrophobicContact CB-CG2 4.43Å; Q117-V151 HydrophobicContact CB-CB 4.07Å; Q117-V151 HydrophobicContact CB-CG2 4.48Å; I118-V151 HydrophobicContact CG1-CG1 3.98Å; L141-V151 CarbonylContact O-C 3.39Å; L141-V151 WeakPolarHBondContact O-CA 3.46Å; L142-V151 HydrophobicContact CD2-CG2 4Å |
| 152 | K | 98.1 | Very high | 92.8 | Very high | 24 Ų | 24 | 45.5 Ų | 45.5 | 10% | 0.104 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 124.6 | 178.3 | -79.2 | 177.1 | 167.8 | -81.6 | 0 | 110.7 | P69 N70 I71 V72 D89 V91 L141 A143 | P69-K152 VanDerWaalsContact O-CE 3.29Å; P69-K152 WeakPolarHBondContact O-CE 3.45Å; P69-K152 WeakPolarHBondContact O-CG 3.46Å; P69-K152 PolarHBondContact O-NZ 2.87Å; N70-K152 WeakPolarHBondContact O-CA 3.36Å; I71-K152 PolarHBondContact O-NZ 3.2Å; V72-K152 HydrophobicContact CG2-CB 3.86Å; V72-K152 HydrophobicContact CG2-CD 4.46Å; D89-K152 IonicContact OD2-NZ 3.89Å; D89-K152 PolarHBondContact OD2-NZ 3.47Å; V91-K152 HydrophobicContact CG1-CD 3.65Å; L141-K152 PolarHBondContact N-O 3.28Å; L141-K152 PolarHBondContact O-N 2.79Å; A143-K152 HydrophobicContact CB-CD 4.12Å |
| 153 | L | 98.1 | Very high | 92.7 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 131.8 | 170.4 | -179.5 | 60.7 | 0 | 0 | 0 | 110.5 | N70 V72 V122 L135 N139 L140 F156 | N70-L153 PolarHBondContact O-N 2.81Å; V72-L153 PolarHBondContact N-O 3.2Å; V122-L153 HydrophobicContact CG2-CD2 4.45Å; L135-L153 HydrophobicContact CD1-CD1 3.71Å; L135-L153 HydrophobicContact CD2-CD1 4.08Å; L135-L153 HydrophobicContact CD2-CD2 4.31Å; N139-L153 WeakPolarHBondContact O-CA 3.46Å; L140-L153 HydrophobicContact CD2-CD1 4.2Å; L153-F156 HydrophobicContact CD2-CZ 3.99Å; L153-F156 HydrophobicContact CG-CE2 4.44Å; L153-F156 HydrophobicContact CG-CZ 4.12Å |
| 154 | A | 94 | Very high | 92.7 | Very high | 11 Ų | 11 | 53 Ų | 53 | 9% | 0.091 | 30% | 0.302 | C | S | . | . | trans | -129.2 | 166.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V72 H132 N139 L141 | V72-A154 HydrophobicContact CB-CB 4.41Å; V72-A154 HydrophobicContact CG2-CB 3.77Å; H132-A154 PolarHBondContact NE2-O 3.37Å; N139-A154 WeakPolarHBondContact CB-O 3.42Å; N139-A154 PolarHBondContact O-N 2.94Å; L141-A154 HydrophobicContact CD1-CB 3.71Å; L141-A154 HydrophobicContact CG-CB 4.1Å | ||
| 155 | D | 89.3 | Confident | 92.6 | Very high | 77 Ų | 77 | 57.6 Ų | 57.6 | 41% | 0.412 | 32% | 0.324 | S | S | . | . | trans | 56.9 | 82.4 | 176.9 | -162.3 | 6 | 0 | 0 | 0 | 117.2 | K41 H132 G157 | K41-D155 IonicContact NZ-OD1 2.9Å; H132-D155 PolarHBondContact CE1-O 3.33Å; H132-D155 PolarHBondContact NE2-O 3.08Å; D155-G157 VanDerWaalsContact C-N 3.26Å; D155-G157 PolarHBondContact O-N 2.65Å; D155-G157 PolarHBondContact OD1-N 2.8Å; D155-G157 VanDerWaalsContact OD1-N 3.08Å | ||
| 156 | F | 93.9 | Very high | 92.8 | Very high | 5 Ų | 5 | 56 Ų | 56 | 2% | 0.022 | 32% | 0.319 | C | S | . | . | trans | -84.7 | 16.8 | 174.7 | -68.4 | -100.7 | 0 | 0 | 0 | 113.6 | I62 L66 I71 I130 H132 L153 L158 A159 | I62-F156 HydrophobicContact CG2-CB 4.36Å; I62-F156 HydrophobicContact CG2-CD1 3.95Å; I62-F156 HydrophobicContact CG2-CG 4.4Å; L66-F156 HydrophobicContact CD1-CD1 3.69Å; L66-F156 HydrophobicContact CD1-CE1 3.19Å; L66-F156 HydrophobicContact CD1-CE2 4.42Å; L66-F156 HydrophobicContact CD1-CG 4.48Å; L66-F156 HydrophobicContact CD1-CZ 3.63Å; I71-F156 HydrophobicContact CD1-CZ 4.37Å; I71-F156 HydrophobicContact CG2-CE2 3.75Å; I71-F156 HydrophobicContact CG2-CZ 3.83Å; I130-F156 HydrophobicContact CG2-CD1 4.47Å; H132-F156 AromaticContact CD2-CD1 3.61Å; H132-F156 AromaticContact CD2-CE1 3.47Å; H132-F156 VanDerWaalsContact CD2-CE1 3.47Å; H132-F156 WeakPolarHBondContact CD2-CE1 3.34Å; H132-F156 AromaticContact CD2-CZ 3.83Å; L153-F156 HydrophobicContact CD2-CZ 3.99Å; L153-F156 HydrophobicContact CG-CE2 4.44Å; L153-F156 HydrophobicContact CG-CZ 4.12Å; F156-L158 PolarHBondContact O-N 3.36Å; F156-A159 HydrophobicContact CB-CB 3.91Å; F156-A159 HydrophobicContact CD1-CB 3.93Å; F156-A159 HydrophobicContact CG-CB 4.43Å; F156-A159 VanDerWaalsContact O-CB 3.23Å; F156-A159 WeakPolarHBondContact O-CB 3.32Å; F156-A159 PolarHBondContact O-N 2.94Å | ||
| 157 | G | 89.6 | Confident | 93.1 | Very high | 16 Ų | 16 | 56.5 Ų | 56.5 | 17% | 0.165 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -23.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115 | D155 | D155-G157 VanDerWaalsContact C-N 3.26Å; D155-G157 PolarHBondContact O-N 2.65Å; D155-G157 PolarHBondContact OD1-N 2.8Å; D155-G157 VanDerWaalsContact OD1-N 3.08Å |
| 158 | L | 91.5 | Very high | 93.9 | Very high | 60 Ų | 60 | 48 Ų | 48 | 31% | 0.314 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -0.3 | 173.6 | -65.8 | -175.4 | 0 | 0 | 0 | 114.5 | H132 R133 D134 F156 A173 | H132-L158 CarbonylContact O-C 3.58Å; R133-L158 VanDerWaalsContact CZ-O 3.22Å; R133-L158 PolarHBondContact NE-O 2.84Å; R133-L158 PolarHBondContact NH2-O 3.29Å; D134-L158 HydrophobicContact CB-CB 4.25Å; D134-L158 HydrophobicContact CB-CD1 3.89Å; F156-L158 PolarHBondContact O-N 3.36Å; L158-A173 HydrophobicContact CD1-CB 4.46Å; L158-A173 HydrophobicContact CD2-CB 4.48Å |
| 159 | A | 96.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -66.2 | 159.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | R58 I62 I130 V131 F156 | R58-A159 VanDerWaalsContact CZ-O 3.24Å; R58-A159 PolarHBondContact NE-O 2.85Å; R58-A159 PolarHBondContact NH1-O 3.3Å; I62-A159 HydrophobicContact CD1-CB 3.8Å; I62-A159 HydrophobicContact CG2-CB 4.29Å; I130-A159 HydrophobicContact CG2-CB 4.19Å; V131-A159 CarbonylContact O-C 3.47Å; V131-A159 VanDerWaalsContact O-CA 3.24Å; V131-A159 WeakPolarHBondContact O-CA 3.44Å; F156-A159 HydrophobicContact CB-CB 3.91Å; F156-A159 HydrophobicContact CD1-CB 3.93Å; F156-A159 HydrophobicContact CG-CB 4.43Å; F156-A159 VanDerWaalsContact O-CB 3.23Å; F156-A159 WeakPolarHBondContact O-CB 3.32Å; F156-A159 PolarHBondContact O-N 2.94Å | ||
| 160 | I | 96.1 | Very high | 94.4 | Very high | 7 Ų | 7 | 52 Ų | 52 | 4% | 0.036 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 151.3 | 178.4 | 51.4 | 168.3 | 0 | 0 | 0 | 111.1 | I130 V131 R133 V162 F170 Y189 | I130-I160 WeakPolarHBondContact CA-O 3.46Å; V131-I160 HydrophobicContact CB-CD1 4.21Å; V131-I160 HydrophobicContact CB-CG1 3.85Å; V131-I160 PolarHBondContact N-O 2.66Å; V131-I160 PolarHBondContact O-N 2.95Å; R133-I160 HydrophobicContact CG-CD1 4.46Å; R133-I160 HydrophobicContact CG-CG1 4.31Å; R133-I160 VanDerWaalsContact CZ-CG2 3.5Å; I160-V162 HydrophobicContact CD1-CG1 3.83Å; I160-V162 HydrophobicContact CG1-CG1 4.24Å; I160-F170 HydrophobicContact CD1-CB 3.74Å; I160-F170 HydrophobicContact CD1-CD1 3.68Å; I160-F170 HydrophobicContact CD1-CD2 3.37Å; I160-F170 HydrophobicContact CD1-CE1 4.05Å; I160-F170 HydrophobicContact CD1-CE2 3.77Å; I160-F170 HydrophobicContact CD1-CG 3.31Å; I160-F170 HydrophobicContact CD1-CZ 4.1Å; I160-F170 HydrophobicContact CG2-CB 4.43Å; I160-F170 HydrophobicContact CG2-CD1 4.41Å; I160-Y189 HydrophobicContact CD1-CE2 4.44Å |
| 161 | E | 96.4 | Very high | 94.2 | Very high | 75 Ų | 75 | 51.5 Ų | 51.5 | 35% | 0.35 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 136.7 | 161.6 | -67.1 | 146.5 | 126.2 | 0 | 0 | 108.8 | R61 I62 N129 I130 | R61-E161 IonicContact CZ-OE1 3.95Å; R61-E161 IonicContact CZ-OE2 3.27Å; R61-E161 IonicContact NE-OE1 3.68Å; R61-E161 PolarHBondContact NE-OE1 2.68Å; R61-E161 IonicContact NE-OE2 2.68Å; R61-E161 PolarHBondContact NE-OE2 2.8Å; R61-E161 IonicContact NH2-OE1 2.77Å; R61-E161 IonicContact NH2-OE2 2.66Å; R61-E161 PolarHBondContact NH2-OE2 3.37Å; I62-E161 HydrophobicContact CD1-CG 4.41Å; I62-E161 HydrophobicContact CG1-CG 4.21Å; N129-E161 CarbonylContact O-C 3.31Å; N129-E161 WeakPolarHBondContact O-CA 3.18Å; I130-E161 HydrophobicContact CD1-CB 4.35Å; I130-E161 HydrophobicContact CD1-CG 3.5Å |
| 162 | V | 96.3 | Very high | 94 | Very high | 15 Ų | 15 | 56.3 Ų | 56.3 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | trans | -117.7 | 160.2 | 175.5 | -58.8 | 0 | 0 | 0 | 0 | 111 | N129 V131 I160 G164 F170 K191 | N129-V162 HydrophobicContact CB-CG2 4.03Å; N129-V162 WeakPolarHBondContact CB-O 3.46Å; N129-V162 WeakPolarHBondContact O-CG2 3.45Å; N129-V162 PolarHBondContact O-N 2.86Å; V131-V162 HydrophobicContact CG2-CG1 3.63Å; V131-V162 HydrophobicContact CG2-CG2 4.05Å; I160-V162 HydrophobicContact CD1-CG1 3.83Å; I160-V162 HydrophobicContact CG1-CG1 4.24Å; V162-G164 WeakPolarHBondContact CG2-O 3.3Å; V162-G164 PolarHBondContact O-N 3.17Å; V162-F170 HydrophobicContact CB-CZ 4.31Å; V162-F170 HydrophobicContact CG1-CE1 4.39Å; V162-F170 HydrophobicContact CG1-CE2 3.88Å; V162-F170 HydrophobicContact CG1-CZ 3.65Å; V162-K191 HydrophobicContact CG2-CG 4.44Å | ||
| 163 | Q | 93.8 | Very high | 93.6 | Very high | 159 Ų | 159 | 56.2 Ų | 56.2 | 74% | 0.743 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -96.1 | 90.1 | 178.2 | -68.3 | -172.3 | -7.4 | 0 | 0 | 110.3 | D165 Q166 | Q163-D165 PolarHBondContact O-N 3.07Å; Q163-Q166 PolarHBondContact O-N 3.38Å |
| 164 | G | 93.1 | Very high | 93.2 | Very high | 30 Ų | 30 | 57 Ų | 57 | 31% | 0.309 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | -124.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111 | N129 V162 K191 | N129-G164 WeakPolarHBondContact OD1-CA 3.45Å; N129-G164 PolarHBondContact OD1-O 3.1Å; V162-G164 WeakPolarHBondContact CG2-O 3.3Å; V162-G164 PolarHBondContact O-N 3.17Å; G164-K191 WeakPolarHBondContact O-CE 3.24Å; G164-K191 PolarHBondContact O-NZ 3Å; G164-K191 VanDerWaalsContact O-NZ 3.11Å |
| 165 | D | 91.2 | Very high | 92.9 | Very high | 132 Ų | 132 | 58.5 Ų | 58.5 | 71% | 0.706 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | 12.2 | 178.3 | -56.8 | -45 | 0 | 0 | 0 | 113.2 | Q163 P167 K191 | Q163-D165 PolarHBondContact O-N 3.07Å; D165-P167 WeakPolarHBondContact O-CD 3.43Å; D165-K191 WeakPolarHBondContact OD1-CD 3.44Å; D165-K191 WeakPolarHBondContact OD1-CE 3.23Å; D165-K191 IonicContact OD1-NZ 3.71Å; D165-K191 PolarHBondContact OD1-NZ 3.42Å |
| 166 | Q | 91.8 | Very high | 93 | Very high | 139 Ų | 139 | 57 Ų | 57 | 65% | 0.65 | 32% | 0.315 | S | S | * | . | trans | -71 | 120.5 | 177.4 | -64.7 | -169 | 3.9 | 0 | 0 | 110.9 | Q163 | Q163-Q166 PolarHBondContact O-N 3.38Š| ||
| 167 | P | 92.7 | Very high | 93 | Very high | 85 Ų | 85 | 57.7 Ų | 57.7 | 55% | 0.552 | 32% | 0.323 | S | S | * | . | trans | -77 | 142.2 | 176.4 | 32.2 | -34.2 | 0 | 0 | 0 | 110.9 | D165 P188 Y189 | D165-P167 WeakPolarHBondContact O-CD 3.43Å; P167-P188 HydrophobicContact CB-CB 4.12Å; P167-Y189 WeakPolarHBondContact CA-O 3.43Å | ||
| 168 | A | 95.9 | Very high | 93.4 | Very high | 41 Ų | 41 | 58.2 Ų | 58.2 | 34% | 0.339 | 32% | 0.32 | S | S | . | . | B | Isolated β-bridge | trans | -143.7 | 167.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | F170 Y189 | A168-F170 HydrophobicContact CB-CD2 4.37Å; A168-F170 HydrophobicContact CB-CE1 4.32Å; A168-F170 HydrophobicContact CB-CE2 3.74Å; A168-F170 HydrophobicContact CB-CZ 3.7Å; A168-F170 WeakPolarHBondContact O-CD2 3.2Å; A168-F170 WeakPolarHBondContact O-CE2 3.4Å; A168-F170 PolarHBondContact O-N 2.9Å; A168-Y189 PolarHBondContact N-O 2.92Å; A168-Y189 PolarHBondContact O-N 2.97Å |
| 169 | W | 96.4 | Very high | 93.7 | Very high | 112 Ų | 112 | 55.6 Ų | 55.6 | 42% | 0.424 | 31% | 0.307 | S | S | . | . | trans | -86.8 | 101 | 175.1 | -179.4 | -115.6 | 0 | 0 | 0 | 110.9 | G171 F172 K186 Y189 | W169-G171 VanDerWaalsContact C-N 3.32Å; W169-F172 HydrophobicContact CH2-CB 4.28Å; W169-F172 HydrophobicContact CZ2-CB 4.35Å; W169-K186 HydrophobicContact CH2-CB 4.02Å; W169-K186 HydrophobicContact CH2-CG 4.14Å; W169-K186 HydrophobicContact CZ2-CB 4.35Å; W169-K186 HydrophobicContact CZ2-CG 4.41Å; W169-K186 HydrophobicContact CZ3-CB 4.24Å; W169-Y189 AromaticContact CE3-CD1 3.9Å; W169-Y189 HydrophobicContact CE3-CD1 3.9Å; W169-Y189 AromaticContact CE3-CE1 3.73Å; W169-Y189 HydrophobicContact CE3-CE1 3.73Å; W169-Y189 AromaticContact CZ3-CD1 3.94Å; W169-Y189 HydrophobicContact CZ3-CD1 3.94Å; W169-Y189 AromaticContact CZ3-CE1 3.67Å; W169-Y189 HydrophobicContact CZ3-CE1 3.67Å | ||
| 170 | F | 93.6 | Very high | 93.8 | Very high | 64 Ų | 64 | 55.7 Ų | 55.7 | 28% | 0.281 | 31% | 0.307 | S | S | . | . | trans | -94.3 | 17.7 | 179 | -56.3 | -84.8 | 0 | 0 | 0 | 113.7 | R133 I160 V162 A168 Y189 | R133-F170 PolarHBondContact NH1-O 3.06Å; I160-F170 HydrophobicContact CD1-CB 3.74Å; I160-F170 HydrophobicContact CD1-CD1 3.68Å; I160-F170 HydrophobicContact CD1-CD2 3.37Å; I160-F170 HydrophobicContact CD1-CE1 4.05Å; I160-F170 HydrophobicContact CD1-CE2 3.77Å; I160-F170 HydrophobicContact CD1-CG 3.31Å; I160-F170 HydrophobicContact CD1-CZ 4.1Å; I160-F170 HydrophobicContact CG2-CB 4.43Å; I160-F170 HydrophobicContact CG2-CD1 4.41Å; V162-F170 HydrophobicContact CB-CZ 4.31Å; V162-F170 HydrophobicContact CG1-CE1 4.39Å; V162-F170 HydrophobicContact CG1-CE2 3.88Å; V162-F170 HydrophobicContact CG1-CZ 3.65Å; A168-F170 HydrophobicContact CB-CD2 4.37Å; A168-F170 HydrophobicContact CB-CE1 4.32Å; A168-F170 HydrophobicContact CB-CE2 3.74Å; A168-F170 HydrophobicContact CB-CZ 3.7Å; A168-F170 WeakPolarHBondContact O-CD2 3.2Å; A168-F170 WeakPolarHBondContact O-CE2 3.4Å; A168-F170 PolarHBondContact O-N 2.9Å; F170-Y189 HydrophobicContact CB-CE2 4.2Å; F170-Y189 HydrophobicContact CD2-CD2 4.29Å; F170-Y189 HydrophobicContact CD2-CE2 4Å; F170-Y189 WeakPolarHBondContact CE2-O 3.5Å | ||
| 171 | G | 92.6 | Very high | 93.9 | Very high | 24 Ų | 24 | 55.3 Ų | 55.3 | 25% | 0.247 | 31% | 0.306 | C | S | . | . | trans | 82.3 | 168.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | W169 Y189 | W169-G171 VanDerWaalsContact C-N 3.32Å; G171-Y189 PolarHBondContact O-OH 2.91Å | ||
| 172 | F | 92.7 | Very high | 94 | Very high | 105 Ų | 105 | 51.8 Ų | 51.8 | 46% | 0.461 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -82.9 | 114.8 | 175.7 | -171 | -82.9 | 0 | 0 | 0 | 109.7 | W169 L179 V183 L184 Y221 | W169-F172 HydrophobicContact CH2-CB 4.28Å; W169-F172 HydrophobicContact CZ2-CB 4.35Å; F172-L179 HydrophobicContact CE1-CD1 3.97Å; F172-L179 HydrophobicContact CE2-CD1 4.17Å; F172-L179 HydrophobicContact CZ-CD1 3.51Å; F172-V183 HydrophobicContact CD2-CG1 4.21Å; F172-L184 HydrophobicContact CE2-CD2 3.75Å; F172-L184 HydrophobicContact CZ-CD2 4Å; F172-Y221 HydrophobicContact CZ-CE2 4.3Å |
| 173 | A | 89.9 | Confident | 94.1 | Very high | 21 Ų | 21 | 51.3 Ų | 51.3 | 17% | 0.174 | 29% | 0.286 | C | S | . | . | trans | -156.3 | 150.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L158 L179 | L158-A173 HydrophobicContact CD1-CB 4.46Å; L158-A173 HydrophobicContact CD2-CB 4.48Å; A173-L179 VanDerWaalsContact O-CD2 3.23Å; A173-L179 WeakPolarHBondContact O-CD2 3.45Å | ||
| 174 | G | 90.1 | Very high | 94.2 | Very high | 19 Ų | 19 | 44.8 Ų | 44.8 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | S | Bend | trans | 120.3 | 168.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R133 | R133-G174 WeakPolarHBondContact O-CA 3.28Š|
| 175 | T | 88.5 | Confident | 94.4 | Very high | 42 Ų | 42 | 47.6 Ų | 47.6 | 26% | 0.258 | 26% | 0.257 | S | S | . | . | trans | -84 | 129 | -176.4 | -60.8 | 0 | 0 | 0 | 0 | 111.5 | D134 K136 G177 Y178 L179 | D134-T175 WeakPolarHBondContact OD1-CB 3.45Å; D134-T175 PolarHBondContact OD1-N 2.77Å; D134-T175 PolarHBondContact OD1-OG1 2.9Å; K136-T175 HydrophobicContact CD-CG2 4.32Å; K136-T175 VanDerWaalsContact CD-OG1 3.24Å; K136-T175 WeakPolarHBondContact CD-OG1 3.45Å; K136-T175 PolarHBondContact NZ-OG1 2.87Å; K136-T175 VanDerWaalsContact NZ-OG1 3.11Å; T175-G177 PolarHBondContact O-N 2.68Å; T175-Y178 HydrophobicContact CG2-CD2 3.87Å; T175-Y178 HydrophobicContact CG2-CE2 4.17Å; T175-Y178 PolarHBondContact O-N 2.96Å; T175-L179 PolarHBondContact O-N 2.96Å | ||
| 176 | P | 89.8 | Confident | 94.7 | Very high | 46 Ų | 46 | 48.9 Ų | 48.9 | 30% | 0.299 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -46 | -44.1 | -165.3 | -36.3 | 37.3 | 0 | 0 | 0 | 118.3 | Y178 L220 Y221 I224 | P176-Y178 VanDerWaalsContact C-N 3.27Å; P176-Y178 PolarHBondContact O-N 3.34Å; P176-L220 HydrophobicContact CB-CD2 4.23Å; P176-Y221 HydrophobicContact CB-CE1 3.97Å; P176-I224 WeakPolarHBondContact O-CD1 3.34Å |
| 177 | G | 94 | Very high | 94.9 | Very high | 19 Ų | 19 | 45.9 Ų | 45.9 | 20% | 0.196 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -75.2 | -9.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | T175 | T175-G177 PolarHBondContact O-N 2.68Š|
| 178 | Y | 97.9 | Very high | 95.1 | Very high | 27 Ų | 27 | 45.5 Ų | 45.5 | 11% | 0.106 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -113.5 | -4 | -179 | -53.8 | -87.9 | 0 | 0 | 0 | 112.4 | K136 P137 T175 P176 V200 I201 I204 | K136-Y178 HydrophobicContact CB-CD1 4.48Å; K136-Y178 HydrophobicContact CB-CD2 3.92Å; K136-Y178 HydrophobicContact CB-CE1 4.43Å; K136-Y178 HydrophobicContact CB-CE2 3.86Å; K136-Y178 HydrophobicContact CB-CG 4.26Å; P137-Y178 VanDerWaalsContact CD-CZ 3.41Å; P137-Y178 WeakPolarHBondContact CD-OH 3.38Å; P137-Y178 WeakPolarHBondContact CG-OH 3.46Å; T175-Y178 HydrophobicContact CG2-CD2 3.87Å; T175-Y178 HydrophobicContact CG2-CE2 4.17Å; T175-Y178 PolarHBondContact O-N 2.96Å; P176-Y178 VanDerWaalsContact C-N 3.27Å; P176-Y178 PolarHBondContact O-N 3.34Å; Y178-V200 HydrophobicContact CD1-CB 3.96Å; Y178-V200 HydrophobicContact CD1-CG1 3.51Å; Y178-V200 HydrophobicContact CE1-CB 4.35Å; Y178-V200 HydrophobicContact CE1-CG1 3.57Å; Y178-V200 HydrophobicContact CG-CG1 4.41Å; Y178-I201 HydrophobicContact CD1-CG1 4.27Å; Y178-I201 HydrophobicContact CE1-CG1 4.05Å; Y178-I204 HydrophobicContact CE1-CD1 3.94Å |
| 179 | L | 97.8 | Very high | 95.2 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | trans | -62.7 | 139.6 | 174.9 | -69.2 | 177.3 | 0 | 0 | 0 | 110.3 | F172 A173 T175 V183 L184 W196 Y221 I224 | F172-L179 HydrophobicContact CE1-CD1 3.97Å; F172-L179 HydrophobicContact CE2-CD1 4.17Å; F172-L179 HydrophobicContact CZ-CD1 3.51Å; A173-L179 VanDerWaalsContact O-CD2 3.23Å; A173-L179 WeakPolarHBondContact O-CD2 3.45Å; T175-L179 PolarHBondContact O-N 2.96Å; L179-V183 HydrophobicContact CD2-CG1 4.2Å; L179-L184 HydrophobicContact CB-CD2 3.97Å; L179-L184 HydrophobicContact CB-CG 4.19Å; L179-L184 HydrophobicContact CD1-CD2 3.62Å; L179-L184 HydrophobicContact CG-CD2 4.44Å; L179-W196 PolarHBondContact O-NE1 2.82Å; L179-Y221 HydrophobicContact CD1-CE1 4.13Å; L179-I224 VanDerWaalsContact O-CG2 3.24Å; L179-I224 WeakPolarHBondContact O-CG2 3.44Å | ||
| 180 | S | 98.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.007 | 21% | 0.211 | C | C | . | . | trans | -86.2 | 159.5 | 177.2 | 72 | 0 | 0 | 0 | 0 | 112.5 | E182 V183 L184 V193 | S180-E182 VanDerWaalsContact C-N 3.31Å; S180-E182 WeakPolarHBondContact CB-OE1 3.29Å; S180-E182 PolarHBondContact O-N 2.93Å; S180-E182 PolarHBondContact OG-OE1 3.29Å; S180-V183 PolarHBondContact O-N 3.39Å; S180-L184 PolarHBondContact O-N 2.79Å; S180-V193 WeakPolarHBondContact OG-CG1 3.36Å | ||
| 181 | P | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.2 | -42.1 | -176.4 | -25.5 | 35 | 0 | 0 | 0 | 113 | V183 L184 R185 W196 I224 V253 | P181-V183 PolarHBondContact O-N 2.93Å; P181-L184 PolarHBondContact O-N 3.44Å; P181-R185 WeakPolarHBondContact O-CG 3.4Å; P181-R185 PolarHBondContact O-N 2.9Å; P181-W196 HydrophobicContact CG-CD2 4.36Å; P181-W196 HydrophobicContact CG-CE3 4.02Å; P181-W196 HydrophobicContact CG-CH2 3.47Å; P181-W196 VanDerWaalsContact CG-CH2 3.47Å; P181-W196 HydrophobicContact CG-CZ2 3.85Å; P181-W196 HydrophobicContact CG-CZ3 3.55Å; P181-I224 HydrophobicContact CG-CG2 4.35Å; P181-I224 WeakPolarHBondContact CG-O 3.23Å; P181-V253 HydrophobicContact CB-CG1 4.22Å; P181-V253 HydrophobicContact CG-CG1 4.27Å |
| 182 | E | 98.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64 | -36.2 | 180 | 59.8 | -80.6 | 179.6 | 0 | 0 | 113 | S180 R185 K186 E187 V193 P255 R258 | S180-E182 VanDerWaalsContact C-N 3.31Å; S180-E182 WeakPolarHBondContact CB-OE1 3.29Å; S180-E182 PolarHBondContact O-N 2.93Å; S180-E182 PolarHBondContact OG-OE1 3.29Å; E182-R185 PolarHBondContact O-N 3.39Å; E182-K186 PolarHBondContact O-N 2.96Å; E182-E187 WeakPolarHBondContact CA-OE2 3.25Å; E182-E187 HydrophobicContact CB-CB 4.06Å; E182-E187 PolarHBondContact O-N 2.93Å; E182-V193 HydrophobicContact CG-CG1 4.41Å; E182-P255 HydrophobicContact CB-CG 4.32Å; E182-P255 HydrophobicContact CG-CB 4.48Å; E182-P255 HydrophobicContact CG-CG 4.18Å; E182-R258 IonicContact OE1-CZ 3.71Å; E182-R258 IonicContact OE1-NH1 3.8Å; E182-R258 PolarHBondContact OE1-NH1 3.03Å; E182-R258 IonicContact OE1-NH2 2.85Å; E182-R258 IonicContact OE2-CZ 2.88Å; E182-R258 IonicContact OE2-NH1 3.94Å; E182-R258 IonicContact OE2-NH2 3.95Å; E182-R258 PolarHBondContact OE2-NH2 2.89Å |
| 183 | V | 98 | Very high | 96.1 | Very high | 5 Ų | 5 | 33.2 Ų | 33.2 | 3% | 0.03 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.5 | -41.8 | 173.9 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | F172 L179 S180 P181 R185 K186 Y189 V193 | F172-V183 HydrophobicContact CD2-CG1 4.21Å; L179-V183 HydrophobicContact CD2-CG1 4.2Å; S180-V183 PolarHBondContact O-N 3.39Å; P181-V183 PolarHBondContact O-N 2.93Å; V183-R185 VanDerWaalsContact C-N 3.33Å; V183-R185 PolarHBondContact O-N 3.46Å; V183-K186 PolarHBondContact O-N 2.68Å; V183-Y189 HydrophobicContact CG2-CD1 3.82Å; V183-Y189 HydrophobicContact CG2-CD2 4.27Å; V183-Y189 HydrophobicContact CG2-CE1 3.94Å; V183-Y189 HydrophobicContact CG2-CE2 4.4Å; V183-Y189 HydrophobicContact CG2-CG 3.97Å; V183-V193 HydrophobicContact CG2-CG1 3.84Å |
| 184 | L | 97.4 | Very high | 96.5 | Very high | 21 Ų | 21 | 32.3 Ų | 32.3 | 11% | 0.11 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.3 | -26.9 | 177.9 | -64.3 | -174.8 | 0 | 0 | 0 | 113.6 | F172 L179 S180 P181 K186 Y221 I224 K225 | F172-L184 HydrophobicContact CE2-CD2 3.75Å; F172-L184 HydrophobicContact CZ-CD2 4Å; L179-L184 HydrophobicContact CB-CD2 3.97Å; L179-L184 HydrophobicContact CB-CG 4.19Å; L179-L184 HydrophobicContact CD1-CD2 3.62Å; L179-L184 HydrophobicContact CG-CD2 4.44Å; S180-L184 PolarHBondContact O-N 2.79Å; P181-L184 PolarHBondContact O-N 3.44Å; L184-K186 VanDerWaalsContact C-N 3.32Å; L184-Y221 HydrophobicContact CD1-CD1 3.77Å; L184-Y221 HydrophobicContact CD1-CG 4.01Å; L184-Y221 HydrophobicContact CD2-CD1 3.66Å; L184-Y221 HydrophobicContact CD2-CD2 4.22Å; L184-Y221 HydrophobicContact CD2-CE1 3.77Å; L184-Y221 HydrophobicContact CD2-CE2 4.33Å; L184-Y221 HydrophobicContact CD2-CG 3.9Å; L184-Y221 HydrophobicContact CG-CD1 4.4Å; L184-I224 HydrophobicContact CD1-CB 3.66Å; L184-I224 HydrophobicContact CD1-CD1 4.15Å; L184-I224 HydrophobicContact CD1-CG2 3.43Å; L184-I224 VanDerWaalsContact CD1-CG2 3.43Å; L184-I224 HydrophobicContact CG-CG2 4.44Å; L184-K225 HydrophobicContact CB-CD 4.01Å; L184-K225 HydrophobicContact CB-CG 3.73Å; L184-K225 HydrophobicContact CD1-CG 4.14Å |
| 185 | R | 97.4 | Very high | 96.9 | Very high | 89 Ų | 89 | 31.6 Ų | 31.6 | 34% | 0.336 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -5.4 | 172.9 | -68.6 | -172.6 | -148.5 | 107.8 | 1 | 113.8 | P181 E182 V183 E187 K225 | P181-R185 WeakPolarHBondContact O-CG 3.4Å; P181-R185 PolarHBondContact O-N 2.9Å; E182-R185 PolarHBondContact O-N 3.39Å; V183-R185 VanDerWaalsContact C-N 3.33Å; V183-R185 PolarHBondContact O-N 3.46Å; R185-E187 VanDerWaalsContact C-N 3.25Å; R185-E187 HydrophobicContact CB-CG 3.74Å; R185-E187 WeakPolarHBondContact CD-OE1 3.37Å; R185-E187 IonicContact CZ-OE2 3.43Å; R185-E187 IonicContact NH1-OE1 3.94Å; R185-E187 IonicContact NH1-OE2 3.23Å; R185-E187 PolarHBondContact NH1-OE2 3.29Å; R185-K225 HydrophobicContact CG-CD 4.01Å; R185-K225 HydrophobicContact CG-CG 4.17Å; R185-K225 PolarHBondContact NH2-O 2.88Å |
| 186 | K | 96.1 | Very high | 97.4 | Very high | 160 Ų | 160 | 29.6 Ų | 29.6 | 70% | 0.696 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62 | 30.3 | -171.5 | -51.4 | 178.3 | -179.5 | 178.1 | 0 | 113.4 | W169 E182 V183 L184 | W169-K186 HydrophobicContact CH2-CB 4.02Å; W169-K186 HydrophobicContact CH2-CG 4.14Å; W169-K186 HydrophobicContact CZ2-CB 4.35Å; W169-K186 HydrophobicContact CZ2-CG 4.41Å; W169-K186 HydrophobicContact CZ3-CB 4.24Å; E182-K186 PolarHBondContact O-N 2.96Å; V183-K186 PolarHBondContact O-N 2.68Å; L184-K186 VanDerWaalsContact C-N 3.32Å |
| 187 | E | 97.2 | Very high | 97.8 | Very high | 75 Ų | 75 | 27.6 Ų | 27.6 | 35% | 0.35 | 14% | 0.143 | S | C | . | . | trans | -81.7 | 151.6 | 176.6 | -68 | 166.6 | 160.9 | 0 | 0 | 110.3 | E182 R185 Y189 | E182-E187 WeakPolarHBondContact CA-OE2 3.25Å; E182-E187 HydrophobicContact CB-CB 4.06Å; E182-E187 PolarHBondContact O-N 2.93Å; R185-E187 VanDerWaalsContact C-N 3.25Å; R185-E187 HydrophobicContact CB-CG 3.74Å; R185-E187 WeakPolarHBondContact CD-OE1 3.37Å; R185-E187 IonicContact CZ-OE2 3.43Å; R185-E187 IonicContact NH1-OE1 3.94Å; R185-E187 IonicContact NH1-OE2 3.23Å; R185-E187 PolarHBondContact NH1-OE2 3.29Å; E187-Y189 PolarHBondContact O-N 3.44Å | ||
| 188 | P | 97.3 | Very high | 98.1 | Very high | 77 Ų | 77 | 26.8 Ų | 26.8 | 50% | 0.5 | 14% | 0.135 | S | C | . | . | trans | -55.7 | 134.6 | 168.3 | -24.9 | 35.3 | 0 | 0 | 0 | 111.3 | P167 | P167-P188 HydrophobicContact CB-CB 4.12Š| ||
| 189 | Y | 97.9 | Very high | 98.1 | Very high | 5 Ų | 5 | 25.5 Ų | 25.5 | 2% | 0.02 | 13% | 0.129 | C | C | . | . | B | Isolated β-bridge | trans | -137.4 | 174.1 | -174.1 | 67.4 | -99.7 | 0 | 0 | 0 | 112.3 | R133 I160 P167 A168 W169 F170 G171 V183 E187 V193 | R133-Y189 HydrophobicContact CG-CE2 4.45Å; R133-Y189 PolarHBondContact NH1-OH 3.07Å; I160-Y189 HydrophobicContact CD1-CE2 4.44Å; P167-Y189 WeakPolarHBondContact CA-O 3.43Å; A168-Y189 PolarHBondContact N-O 2.92Å; A168-Y189 PolarHBondContact O-N 2.97Å; W169-Y189 AromaticContact CE3-CD1 3.9Å; W169-Y189 HydrophobicContact CE3-CD1 3.9Å; W169-Y189 AromaticContact CE3-CE1 3.73Å; W169-Y189 HydrophobicContact CE3-CE1 3.73Å; W169-Y189 AromaticContact CZ3-CD1 3.94Å; W169-Y189 HydrophobicContact CZ3-CD1 3.94Å; W169-Y189 AromaticContact CZ3-CE1 3.67Å; W169-Y189 HydrophobicContact CZ3-CE1 3.67Å; F170-Y189 HydrophobicContact CB-CE2 4.2Å; F170-Y189 HydrophobicContact CD2-CD2 4.29Å; F170-Y189 HydrophobicContact CD2-CE2 4Å; F170-Y189 WeakPolarHBondContact CE2-O 3.5Å; G171-Y189 PolarHBondContact O-OH 2.91Å; V183-Y189 HydrophobicContact CG2-CD1 3.82Å; V183-Y189 HydrophobicContact CG2-CD2 4.27Å; V183-Y189 HydrophobicContact CG2-CE1 3.94Å; V183-Y189 HydrophobicContact CG2-CE2 4.4Å; V183-Y189 HydrophobicContact CG2-CG 3.97Å; E187-Y189 PolarHBondContact O-N 3.44Å; Y189-V193 HydrophobicContact CD2-CG1 3.54Å; Y189-V193 HydrophobicContact CD2-CG2 4.44Å; Y189-V193 HydrophobicContact CE2-CG1 4.34Å; Y189-V193 HydrophobicContact CG-CG1 3.91Å |
| 190 | G | 97.5 | Very high | 98.2 | Very high | 13 Ų | 13 | 25.2 Ų | 25.2 | 13% | 0.134 | 13% | 0.128 | C | C | . | . | trans | -164.2 | -145.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A192 V193 | G190-A192 PolarHBondContact O-N 3.3Å; G190-V193 WeakPolarHBondContact O-CG1 3.38Å; G190-V193 WeakPolarHBondContact O-CG2 3.46Å; G190-V193 PolarHBondContact O-N 2.87Å; G190-V193 VanDerWaalsContact O-N 3.14Å | ||
| 191 | K | 98.4 | Very high | 98.2 | Very high | 36 Ų | 36 | 25.2 Ų | 25.2 | 16% | 0.157 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.1 | -35.4 | -175.2 | -66.3 | 166.9 | -175.1 | 177 | 0 | 114.9 | H126 N129 V131 V162 G164 D165 V193 D194 | H126-K191 HydrophobicContact CB-CD 4.02Å; H126-K191 HydrophobicContact CB-CG 4.2Å; H126-K191 PolarHBondContact CE1-O 2.85Å; H126-K191 PolarHBondContact NE2-O 2.77Å; H126-K191 WeakPolarHBondContact O-CE 3.38Å; H126-K191 PolarHBondContact O-NZ 2.82Å; H126-K191 VanDerWaalsContact O-NZ 3.13Å; N129-K191 WeakPolarHBondContact OD1-CE 3.37Å; N129-K191 PolarHBondContact OD1-NZ 2.88Å; V131-K191 HydrophobicContact CG2-CB 4.41Å; V131-K191 HydrophobicContact CG2-CG 3.86Å; V162-K191 HydrophobicContact CG2-CG 4.44Å; G164-K191 WeakPolarHBondContact O-CE 3.24Å; G164-K191 PolarHBondContact O-NZ 3Å; G164-K191 VanDerWaalsContact O-NZ 3.11Å; D165-K191 WeakPolarHBondContact OD1-CD 3.44Å; D165-K191 WeakPolarHBondContact OD1-CE 3.23Å; D165-K191 IonicContact OD1-NZ 3.71Å; D165-K191 PolarHBondContact OD1-NZ 3.42Å; K191-V193 PolarHBondContact O-N 2.86Å; K191-V193 VanDerWaalsContact O-N 3.08Å; K191-D194 PolarHBondContact O-N 2.76Å |
| 192 | A | 98.4 | Very high | 98.2 | Very high | 25 Ų | 25 | 25.2 Ų | 25.2 | 21% | 0.207 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.7 | -21.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115 | G190 D194 V195 W196 P255 R258 | G190-A192 PolarHBondContact O-N 3.3Å; A192-D194 VanDerWaalsContact C-N 3.33Å; A192-D194 PolarHBondContact O-N 3.1Å; A192-V195 PolarHBondContact O-N 3.39Å; A192-W196 PolarHBondContact O-N 2.88Å; A192-P255 HydrophobicContact CB-CB 3.77Å; A192-R258 WeakPolarHBondContact O-CD 3.4Å; A192-R258 PolarHBondContact O-NH1 2.9Å |
| 193 | V | 98.6 | Very high | 98.2 | Very high | 10 Ų | 10 | 25.3 Ų | 25.3 | 6% | 0.061 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.3 | -36.1 | 178.9 | -52 | 0 | 0 | 0 | 0 | 112.1 | V131 R133 S180 E182 V183 Y189 G190 K191 V195 W196 A197 | V131-V193 HydrophobicContact CG1-CG2 3.52Å; R133-V193 HydrophobicContact CG-CG2 4.22Å; S180-V193 WeakPolarHBondContact OG-CG1 3.36Å; E182-V193 HydrophobicContact CG-CG1 4.41Å; V183-V193 HydrophobicContact CG2-CG1 3.84Å; Y189-V193 HydrophobicContact CD2-CG1 3.54Å; Y189-V193 HydrophobicContact CD2-CG2 4.44Å; Y189-V193 HydrophobicContact CE2-CG1 4.34Å; Y189-V193 HydrophobicContact CG-CG1 3.91Å; G190-V193 WeakPolarHBondContact O-CG1 3.38Å; G190-V193 WeakPolarHBondContact O-CG2 3.46Å; G190-V193 PolarHBondContact O-N 2.87Å; G190-V193 VanDerWaalsContact O-N 3.14Å; K191-V193 PolarHBondContact O-N 2.86Å; K191-V193 VanDerWaalsContact O-N 3.08Å; V193-V195 VanDerWaalsContact C-N 3.33Å; V193-V195 PolarHBondContact O-N 2.9Å; V193-W196 PolarHBondContact O-N 2.81Å; V193-A197 PolarHBondContact O-N 3.06Å |
| 194 | D | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -69.4 | -34.9 | 179.1 | -63.1 | -29.3 | 0 | 0 | 0 | 110.7 | V122 H126 V131 H132 R133 K191 A192 A197 C198 | V122-D194 HydrophobicContact CG1-CB 3.83Å; H126-D194 IonicContact CD2-OD2 3.35Å; H126-D194 IonicContact CE1-OD2 2.68Å; H126-D194 IonicContact NE2-OD2 3.19Å; H126-D194 PolarHBondContact NE2-OD2 2.79Å; V131-D194 WeakPolarHBondContact CA-OD2 3.39Å; V131-D194 VanDerWaalsContact CG1-OD2 3.3Å; V131-D194 WeakPolarHBondContact CG1-OD2 3.3Å; H132-D194 PolarHBondContact N-OD1 3.15Å; H132-D194 PolarHBondContact N-OD2 3.26Å; R133-D194 PolarHBondContact N-OD1 2.95Å; K191-D194 PolarHBondContact O-N 2.76Å; A192-D194 VanDerWaalsContact C-N 3.33Å; A192-D194 PolarHBondContact O-N 3.1Å; D194-A197 PolarHBondContact O-N 3.14Å; D194-C198 PolarHBondContact O-N 3.25Å; D194-C198 PolarHBondContact O-SG 2.89Å; D194-C198 VanDerWaalsContact O-SG 3.36Å |
| 195 | V | 98.9 | Very high | 98.2 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.024 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -70 | -33.4 | 178.7 | -170.7 | 0 | 0 | 0 | 0 | 111.8 | A192 V193 C198 G199 M250 I259 A261 | A192-V195 PolarHBondContact O-N 3.39Å; V193-V195 VanDerWaalsContact C-N 3.33Å; V193-V195 PolarHBondContact O-N 2.9Å; V195-C198 WeakPolarHBondContact O-CB 3.22Å; V195-C198 PolarHBondContact O-N 3.46Å; V195-G199 PolarHBondContact O-N 3.23Å; V195-M250 HydrophobicContact CG1-CB 4.28Å; V195-M250 HydrophobicContact CG1-CG 3.83Å; V195-I259 HydrophobicContact CG1-CG2 4.02Å; V195-I259 WeakPolarHBondContact CG1-O 3.39Å; V195-A261 HydrophobicContact CG2-CB 4.46Å |
| 196 | W | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.1 | -48.1 | 170 | 176.5 | -86.8 | 0 | 0 | 0 | 111 | L179 P181 A192 V193 C198 G199 V200 F212 I224 L251 V253 | L179-W196 PolarHBondContact O-NE1 2.82Å; P181-W196 HydrophobicContact CG-CD2 4.36Å; P181-W196 HydrophobicContact CG-CE3 4.02Å; P181-W196 HydrophobicContact CG-CH2 3.47Å; P181-W196 VanDerWaalsContact CG-CH2 3.47Å; P181-W196 HydrophobicContact CG-CZ2 3.85Å; P181-W196 HydrophobicContact CG-CZ3 3.55Å; A192-W196 PolarHBondContact O-N 2.88Å; V193-W196 PolarHBondContact O-N 2.81Å; W196-C198 VanDerWaalsContact C-N 3.31Å; W196-C198 PolarHBondContact O-N 2.81Å; W196-G199 WeakPolarHBondContact O-CA 3.3Å; W196-G199 PolarHBondContact O-N 3Å; W196-V200 PolarHBondContact O-N 3.15Å; W196-F212 AromaticContact CE2-CE2 3.97Å; W196-F212 HydrophobicContact CH2-CE2 4.12Å; W196-F212 AromaticContact CH2-CZ 3.77Å; W196-F212 HydrophobicContact CH2-CZ 3.77Å; W196-F212 HydrophobicContact CZ2-CD2 4.3Å; W196-F212 HydrophobicContact CZ2-CE1 4.46Å; W196-F212 AromaticContact CZ2-CE2 3.35Å; W196-F212 HydrophobicContact CZ2-CE2 3.35Å; W196-F212 AromaticContact CZ2-CZ 3.45Å; W196-F212 HydrophobicContact CZ2-CZ 3.45Å; W196-F212 VanDerWaalsContact CZ2-CZ 3.45Å; W196-I224 HydrophobicContact CZ2-CG2 3.81Å; W196-L251 HydrophobicContact CD2-CD2 3.93Å; W196-L251 HydrophobicContact CE3-CD2 4.12Å; W196-L251 HydrophobicContact CG-CD2 4.41Å; W196-L251 HydrophobicContact CH2-CD2 4.49Å; W196-L251 HydrophobicContact CZ2-CD2 4.3Å; W196-L251 VanDerWaalsContact CZ3-C 3.47Å; W196-L251 HydrophobicContact CZ3-CB 4.24Å; W196-L251 HydrophobicContact CZ3-CD2 4.4Å; W196-L251 VanDerWaalsContact CZ3-O 3.26Å; W196-L251 WeakPolarHBondContact CZ3-O 3.42Å; W196-V253 HydrophobicContact CZ3-CG2 4.49Å |
| 197 | A | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 12.2 Ų | 12.2 | 3% | 0.033 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.1 | -37 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L135 V193 D194 G199 V200 I201 | L135-A197 HydrophobicContact CB-CB 3.53Å; V193-A197 PolarHBondContact O-N 3.06Å; D194-A197 PolarHBondContact O-N 3.14Å; A197-G199 VanDerWaalsContact C-N 3.31Å; A197-G199 PolarHBondContact O-N 2.87Å; A197-V200 PolarHBondContact O-N 3.41Å; A197-I201 WeakPolarHBondContact O-CB 3.44Å; A197-I201 WeakPolarHBondContact O-CD1 3.34Å; A197-I201 VanDerWaalsContact O-CG1 3.24Å; A197-I201 WeakPolarHBondContact O-CG1 3.22Å; A197-I201 PolarHBondContact O-N 2.73Å |
| 198 | C | 98.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 8.7 Ų | 8.7 | 1% | 0.014 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -59.1 | -38.7 | 169.6 | -70.5 | 0 | 0 | 0 | 0 | 112.8 | M115 D194 V195 W196 I201 L202 M250 | M115-C198 HydrophobicContact CE-CB 3.92Å; M115-C198 WeakPolarHBondContact CE-O 3.48Å; D194-C198 PolarHBondContact O-N 3.25Å; D194-C198 PolarHBondContact O-SG 2.89Å; D194-C198 VanDerWaalsContact O-SG 3.36Å; V195-C198 WeakPolarHBondContact O-CB 3.22Å; V195-C198 PolarHBondContact O-N 3.46Å; W196-C198 VanDerWaalsContact C-N 3.31Å; W196-C198 PolarHBondContact O-N 2.81Å; C198-I201 PolarHBondContact O-N 3.43Å; C198-L202 WeakPolarHBondContact O-CB 3.1Å; C198-L202 PolarHBondContact O-N 2.7Å; C198-M250 HydrophobicContact CB-CE 4.32Å; C198-M250 HydrophobicContact CB-SD 3.95Å |
| 199 | G | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -64 | -42.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V195 W196 A197 L202 Y203 M250 | V195-G199 PolarHBondContact O-N 3.23Å; W196-G199 WeakPolarHBondContact O-CA 3.3Å; W196-G199 PolarHBondContact O-N 3Å; A197-G199 VanDerWaalsContact C-N 3.31Å; A197-G199 PolarHBondContact O-N 2.87Å; G199-L202 PolarHBondContact O-N 2.89Å; G199-Y203 WeakPolarHBondContact O-CB 3.42Å; G199-Y203 PolarHBondContact O-N 2.93Å; G199-M250 PolarHBondContact N-SD 3.22Å |
| 200 | V | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 9.2 Ų | 9.2 | 1% | 0.006 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -62.7 | -43.9 | 174.2 | 178 | 0 | 0 | 0 | 0 | 111 | Y178 W196 A197 Y203 I204 P211 F212 L251 | Y178-V200 HydrophobicContact CD1-CB 3.96Å; Y178-V200 HydrophobicContact CD1-CG1 3.51Å; Y178-V200 HydrophobicContact CE1-CB 4.35Å; Y178-V200 HydrophobicContact CE1-CG1 3.57Å; Y178-V200 HydrophobicContact CG-CG1 4.41Å; W196-V200 PolarHBondContact O-N 3.15Å; A197-V200 PolarHBondContact O-N 3.41Å; V200-Y203 PolarHBondContact O-N 3.01Å; V200-I204 HydrophobicContact CG1-CD1 4.07Å; V200-I204 WeakPolarHBondContact O-CD1 3.44Å; V200-I204 VanDerWaalsContact O-CG1 3.3Å; V200-I204 WeakPolarHBondContact O-CG1 3.47Å; V200-I204 PolarHBondContact O-N 2.78Å; V200-I204 VanDerWaalsContact O-N 3.13Å; V200-P211 HydrophobicContact CB-CG 4.37Å; V200-P211 HydrophobicContact CG1-CG 4.13Å; V200-P211 HydrophobicContact CG2-CG 4.22Å; V200-F212 HydrophobicContact CG2-CD2 4.22Å; V200-F212 HydrophobicContact CG2-CE2 4.08Å; V200-L251 HydrophobicContact CG2-CD2 3.89Å |
| 201 | I | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -64.2 | -47 | 178 | -70 | 160.7 | 0 | 0 | 0 | 111 | F97 M115 I118 L135 L140 Y178 A197 C198 Y203 I204 L205 | F97-I201 HydrophobicContact CE2-CG2 4.35Å; F97-I201 HydrophobicContact CZ-CG2 4.18Å; M115-I201 HydrophobicContact SD-CG2 3.86Å; I118-I201 HydrophobicContact CD1-CG2 4.34Å; L135-I201 HydrophobicContact CB-CD1 4.02Å; L135-I201 HydrophobicContact CD1-CD1 4.08Å; L140-I201 HydrophobicContact CD1-CD1 4.2Å; L140-I201 HydrophobicContact CD1-CG2 3.91Å; Y178-I201 HydrophobicContact CD1-CG1 4.27Å; Y178-I201 HydrophobicContact CE1-CG1 4.05Å; A197-I201 WeakPolarHBondContact O-CB 3.44Å; A197-I201 WeakPolarHBondContact O-CD1 3.34Å; A197-I201 VanDerWaalsContact O-CG1 3.24Å; A197-I201 WeakPolarHBondContact O-CG1 3.22Å; A197-I201 PolarHBondContact O-N 2.73Å; C198-I201 PolarHBondContact O-N 3.43Å; I201-Y203 VanDerWaalsContact C-N 3.35Å; I201-Y203 PolarHBondContact O-N 3.18Å; I201-I204 PolarHBondContact O-N 3.45Å; I201-L205 HydrophobicContact CG2-CD1 3.97Å; I201-L205 HydrophobicContact CG2-CG 4.38Å; I201-L205 WeakPolarHBondContact O-CG 3.27Å; I201-L205 PolarHBondContact O-N 2.89Å |
| 202 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -58.6 | -45.4 | 176.6 | 170.3 | 55.2 | 0 | 0 | 0 | 111.3 | M115 C198 G199 I204 L205 L206 L246 I247 M250 W269 | M115-L202 HydrophobicContact CE-CB 4.08Å; M115-L202 HydrophobicContact CG-CB 4.09Å; M115-L202 HydrophobicContact CG-CD1 3.92Å; M115-L202 HydrophobicContact CG-CG 4.48Å; M115-L202 HydrophobicContact SD-CB 4.06Å; C198-L202 WeakPolarHBondContact O-CB 3.1Å; C198-L202 PolarHBondContact O-N 2.7Å; G199-L202 PolarHBondContact O-N 2.89Å; L202-I204 PolarHBondContact O-N 3.46Å; L202-L205 PolarHBondContact O-N 3.04Å; L202-L206 HydrophobicContact CD1-CD1 3.99Å; L202-L206 HydrophobicContact CD1-CD2 4.32Å; L202-L206 HydrophobicContact CD1-CG 3.96Å; L202-L206 HydrophobicContact CG-CD1 4.49Å; L202-L206 WeakPolarHBondContact O-CG 3.43Å; L202-L206 PolarHBondContact O-N 3.36Å; L202-L206 VanDerWaalsContact O-N 3.14Å; L202-L246 HydrophobicContact CD2-CB 4.31Å; L202-L246 HydrophobicContact CD2-CD2 3.89Å; L202-L246 HydrophobicContact CD2-CG 3.96Å; L202-I247 HydrophobicContact CB-CG1 4.39Å; L202-I247 HydrophobicContact CD2-CD1 4.42Å; L202-I247 HydrophobicContact CD2-CG1 3.58Å; L202-I247 HydrophobicContact CG-CD1 4.05Å; L202-I247 HydrophobicContact CG-CG1 3.64Å; L202-M250 HydrophobicContact CD2-SD 4.41Å; L202-W269 HydrophobicContact CD1-CH2 3.32Å; L202-W269 HydrophobicContact CD1-CZ2 4.29Å; L202-W269 HydrophobicContact CD1-CZ3 3.48Å; L202-W269 VanDerWaalsContact CD1-CZ3 3.48Å; L202-W269 HydrophobicContact CD2-CZ3 4.25Å |
| 203 | Y | 98.7 | Very high | 97.5 | Very high | 3 Ų | 3 | 11.6 Ų | 11.6 | 1% | 0.012 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -56 | -49.1 | 175.7 | -172.2 | -74.3 | 0 | 0 | 0 | 111.4 | G199 V200 I201 L205 L206 V207 Y209 P211 Y229 D230 Y231 W236 I247 | G199-Y203 WeakPolarHBondContact O-CB 3.42Å; G199-Y203 PolarHBondContact O-N 2.93Å; V200-Y203 PolarHBondContact O-N 3.01Å; I201-Y203 VanDerWaalsContact C-N 3.35Å; I201-Y203 PolarHBondContact O-N 3.18Å; Y203-L205 VanDerWaalsContact C-N 3.32Å; Y203-L205 PolarHBondContact O-N 3.3Å; Y203-L206 PolarHBondContact O-N 3.38Å; Y203-L206 VanDerWaalsContact O-N 3.15Å; Y203-V207 HydrophobicContact CD1-CG2 4.04Å; Y203-V207 HydrophobicContact CE1-CG2 3.75Å; Y203-V207 PolarHBondContact O-N 2.91Å; Y203-Y209 VanDerWaalsContact CD1-O 3.23Å; Y203-Y209 WeakPolarHBondContact CD1-O 3.29Å; Y203-Y209 AromaticContact CE1-CD2 3.9Å; Y203-Y209 HydrophobicContact CE1-CD2 3.9Å; Y203-Y209 AromaticContact CE1-CE2 3.78Å; Y203-Y209 HydrophobicContact CE1-CE2 3.78Å; Y203-Y209 WeakPolarHBondContact CE1-O 3.38Å; Y203-P211 HydrophobicContact CD1-CB 3.82Å; Y203-P211 VanDerWaalsContact CD1-CD 3.47Å; Y203-P211 HydrophobicContact CD1-CG 4.06Å; Y203-P211 HydrophobicContact CD2-CB 3.71Å; Y203-P211 HydrophobicContact CD2-CG 4.34Å; Y203-P211 HydrophobicContact CE1-CB 3.96Å; Y203-P211 HydrophobicContact CE2-CB 3.86Å; Y203-P211 HydrophobicContact CG-CB 3.69Å; Y203-P211 HydrophobicContact CG-CG 3.9Å; Y203-Y229 HydrophobicContact CE2-CD2 4.38Å; Y203-D230 WeakPolarHBondContact CE2-O 3.35Å; Y203-D230 PolarHBondContact OH-O 3.22Å; Y203-Y231 HydrophobicContact CD2-CE1 4.17Å; Y203-Y231 HydrophobicContact CE2-CD1 4.03Å; Y203-Y231 AromaticContact CE2-CE1 3.99Å; Y203-Y231 HydrophobicContact CE2-CE1 3.99Å; Y203-W236 AromaticContact CD1-CZ2 3.96Å; Y203-W236 HydrophobicContact CD1-CZ2 3.96Å; Y203-W236 AromaticContact CD2-CH2 3.7Å; Y203-W236 HydrophobicContact CD2-CH2 3.7Å; Y203-W236 AromaticContact CD2-CZ2 3.44Å; Y203-W236 HydrophobicContact CD2-CZ2 3.44Å; Y203-W236 VanDerWaalsContact CD2-CZ2 3.44Å; Y203-W236 AromaticContact CE1-CZ2 3.8Å; Y203-W236 HydrophobicContact CE1-CZ2 3.8Å; Y203-W236 AromaticContact CE2-CE2 3.84Å; Y203-W236 AromaticContact CE2-CH2 3.91Å; Y203-W236 HydrophobicContact CE2-CH2 3.91Å; Y203-W236 AromaticContact CE2-CZ2 3.25Å; Y203-W236 HydrophobicContact CE2-CZ2 3.25Å; Y203-W236 HydrophobicContact CG-CH2 4.11Å; Y203-W236 AromaticContact CG-CZ2 3.79Å; Y203-W236 HydrophobicContact CG-CZ2 3.79Å; Y203-W236 AromaticContact CZ-CE2 3.82Å; Y203-W236 AromaticContact CZ-CZ2 3.44Å; Y203-W236 VanDerWaalsContact CZ-CZ2 3.44Å; Y203-W236 AromaticContact CZ-NE1 3.76Å; Y203-W236 PolarHBondContact OH-NE1 2.87Å; Y203-I247 HydrophobicContact CD2-CD1 4.32Å; Y203-I247 HydrophobicContact CD2-CG2 4.27Å |
| 204 | I | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -64 | -36.8 | 178.6 | -56.1 | 155.5 | 0 | 0 | 0 | 111.6 | F97 Y178 V200 I201 L202 L206 G208 P210 L289 F292 | F97-I204 HydrophobicContact CE1-CB 4.21Å; F97-I204 HydrophobicContact CE1-CG2 3.69Å; Y178-I204 HydrophobicContact CE1-CD1 3.94Å; V200-I204 HydrophobicContact CG1-CD1 4.07Å; V200-I204 WeakPolarHBondContact O-CD1 3.44Å; V200-I204 VanDerWaalsContact O-CG1 3.3Å; V200-I204 WeakPolarHBondContact O-CG1 3.47Å; V200-I204 PolarHBondContact O-N 2.78Å; V200-I204 VanDerWaalsContact O-N 3.13Å; I201-I204 PolarHBondContact O-N 3.45Å; L202-I204 PolarHBondContact O-N 3.46Å; I204-L206 VanDerWaalsContact C-N 3.25Å; I204-L206 PolarHBondContact O-N 2.99Å; I204-G208 VanDerWaalsContact O-CA 3.24Å; I204-G208 WeakPolarHBondContact O-CA 3.37Å; I204-G208 PolarHBondContact O-N 3.37Å; I204-P210 HydrophobicContact CD1-CB 4.24Å; I204-P210 HydrophobicContact CG1-CB 4.09Å; I204-L289 HydrophobicContact CG2-CD1 3.8Å; I204-F292 HydrophobicContact CD1-CE2 4.34Å; I204-F292 HydrophobicContact CD1-CZ 3.93Å; I204-F292 HydrophobicContact CG2-CD1 4.16Å; I204-F292 HydrophobicContact CG2-CE1 3.99Å; I204-F292 HydrophobicContact CG2-CE2 4.45Å; I204-F292 HydrophobicContact CG2-CG 4.46Å; I204-F292 HydrophobicContact CG2-CZ 4.15Å |
| 205 | L | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.4 | -28.6 | 176.6 | -72 | 171.3 | 0 | 0 | 0 | 112.7 | F97 I100 Y106 A111 M115 I201 L202 Y203 | F97-L205 HydrophobicContact CD2-CD2 4.47Å; F97-L205 HydrophobicContact CE1-CD2 4.5Å; F97-L205 HydrophobicContact CE2-CD2 3.86Å; F97-L205 HydrophobicContact CE2-CG 4.39Å; F97-L205 HydrophobicContact CZ-CD2 3.85Å; F97-L205 HydrophobicContact CZ-CG 4.07Å; I100-L205 HydrophobicContact CD1-CD2 3.42Å; I100-L205 VanDerWaalsContact CD1-CD2 3.42Å; Y106-L205 VanDerWaalsContact CE1-O 3.3Å; Y106-L205 WeakPolarHBondContact CE1-O 3.32Å; Y106-L205 PolarHBondContact OH-O 2.92Å; A111-L205 HydrophobicContact CB-CB 4.3Å; M115-L205 HydrophobicContact CG-CD1 3.77Å; M115-L205 HydrophobicContact SD-CD1 3.68Å; I201-L205 HydrophobicContact CG2-CD1 3.97Å; I201-L205 HydrophobicContact CG2-CG 4.38Å; I201-L205 WeakPolarHBondContact O-CG 3.27Å; I201-L205 PolarHBondContact O-N 2.89Å; L202-L205 PolarHBondContact O-N 3.04Å; Y203-L205 VanDerWaalsContact C-N 3.32Å; Y203-L205 PolarHBondContact O-N 3.3Å |
| 206 | L | 97.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -86.8 | -25.1 | -177.6 | -64.8 | -176.4 | 0 | 0 | 0 | 115.4 | E108 A111 L202 Y203 I204 W236 V239 A243 I247 W269 R282 T285 | E108-L206 HydrophobicContact CG-CD2 4.09Å; A111-L206 HydrophobicContact CB-CD2 3.8Å; L202-L206 HydrophobicContact CD1-CD1 3.99Å; L202-L206 HydrophobicContact CD1-CD2 4.32Å; L202-L206 HydrophobicContact CD1-CG 3.96Å; L202-L206 HydrophobicContact CG-CD1 4.49Å; L202-L206 WeakPolarHBondContact O-CG 3.43Å; L202-L206 PolarHBondContact O-N 3.36Å; L202-L206 VanDerWaalsContact O-N 3.14Å; Y203-L206 PolarHBondContact O-N 3.38Å; Y203-L206 VanDerWaalsContact O-N 3.15Å; I204-L206 VanDerWaalsContact C-N 3.25Å; I204-L206 PolarHBondContact O-N 2.99Å; L206-W236 HydrophobicContact CB-CH2 4.04Å; L206-W236 HydrophobicContact CB-CZ3 4.41Å; L206-W236 HydrophobicContact CD1-CH2 4.05Å; L206-W236 HydrophobicContact CD1-CZ3 3.95Å; L206-V239 HydrophobicContact CD1-CG1 3.95Å; L206-A243 HydrophobicContact CD1-CB 3.76Å; L206-I247 HydrophobicContact CD1-CD1 3.82Å; L206-W269 HydrophobicContact CD2-CH2 4.14Å; L206-W269 HydrophobicContact CD2-CZ2 3.86Å; L206-R282 PolarHBondContact O-NE 3.27Å; L206-R282 PolarHBondContact O-NH2 2.91Å; L206-R282 VanDerWaalsContact O-NH2 3.13Å; L206-T285 WeakPolarHBondContact O-CG2 3.32Å; L206-T285 PolarHBondContact O-OG1 2.94Å |
| 207 | V | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -137.7 | -5.7 | -175.4 | -63.7 | 0 | 0 | 0 | 0 | 115.7 | Y203 Y209 E235 W236 C288 | Y203-V207 HydrophobicContact CD1-CG2 4.04Å; Y203-V207 HydrophobicContact CE1-CG2 3.75Å; Y203-V207 PolarHBondContact O-N 2.91Å; V207-Y209 HydrophobicContact CB-CD1 4.08Å; V207-Y209 HydrophobicContact CB-CE1 3.59Å; V207-Y209 HydrophobicContact CG2-CD1 3.86Å; V207-Y209 HydrophobicContact CG2-CD2 4.1Å; V207-Y209 HydrophobicContact CG2-CE1 3.57Å; V207-Y209 HydrophobicContact CG2-CE2 3.81Å; V207-Y209 HydrophobicContact CG2-CG 4.11Å; V207-Y209 VanDerWaalsContact O-CD1 3.27Å; V207-Y209 WeakPolarHBondContact O-CD1 3.42Å; V207-Y209 PolarHBondContact O-N 3.44Å; V207-E235 HydrophobicContact CG1-CB 4.09Å; V207-W236 HydrophobicContact CB-CZ2 4.26Å; V207-W236 HydrophobicContact CG1-CD2 3.92Å; V207-W236 VanDerWaalsContact CG1-CE2 3.43Å; V207-W236 HydrophobicContact CG1-CG 4.25Å; V207-W236 HydrophobicContact CG1-CH2 4.37Å; V207-W236 HydrophobicContact CG1-CZ2 3.67Å; V207-W236 HydrophobicContact CG2-CZ2 3.55Å; V207-C288 WeakPolarHBondContact O-CB 3.49Å |
| 208 | G | 94.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 82.3 | 5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | I204 C288 F292 | I204-G208 VanDerWaalsContact O-CA 3.24Å; I204-G208 WeakPolarHBondContact O-CA 3.37Å; I204-G208 PolarHBondContact O-N 3.37Å; G208-C288 CarbonylContact O-C 3.59Å; G208-F292 WeakPolarHBondContact O-CB 3.44Å |
| 209 | Y | 93.6 | Very high | 94.4 | Very high | 59 Ų | 59 | 40 Ų | 40 | 23% | 0.231 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -136.3 | 155.1 | 175.9 | 57.4 | -96.2 | 0 | 0 | 0 | 111.5 | Y203 V207 P232 W236 | Y203-Y209 VanDerWaalsContact CD1-O 3.23Å; Y203-Y209 WeakPolarHBondContact CD1-O 3.29Å; Y203-Y209 AromaticContact CE1-CD2 3.9Å; Y203-Y209 HydrophobicContact CE1-CD2 3.9Å; Y203-Y209 AromaticContact CE1-CE2 3.78Å; Y203-Y209 HydrophobicContact CE1-CE2 3.78Å; Y203-Y209 WeakPolarHBondContact CE1-O 3.38Å; V207-Y209 HydrophobicContact CB-CD1 4.08Å; V207-Y209 HydrophobicContact CB-CE1 3.59Å; V207-Y209 HydrophobicContact CG2-CD1 3.86Å; V207-Y209 HydrophobicContact CG2-CD2 4.1Å; V207-Y209 HydrophobicContact CG2-CE1 3.57Å; V207-Y209 HydrophobicContact CG2-CE2 3.81Å; V207-Y209 HydrophobicContact CG2-CG 4.11Å; V207-Y209 VanDerWaalsContact O-CD1 3.27Å; V207-Y209 WeakPolarHBondContact O-CD1 3.42Å; V207-Y209 PolarHBondContact O-N 3.44Å; Y209-P232 WeakPolarHBondContact OH-CG 3.49Å; Y209-W236 AromaticContact CZ-NE1 3.98Å; Y209-W236 PolarHBondContact OH-NE1 3.27Å |
| 210 | P | 96.5 | Very high | 94.2 | Very high | 34 Ų | 34 | 40.8 Ų | 40.8 | 22% | 0.221 | 19% | 0.189 | C | C | . | . | trans | -77.4 | 151.8 | -177.2 | 31.1 | -36.2 | 0 | 0 | 0 | 113.6 | I204 F212 W213 F292 | I204-P210 HydrophobicContact CD1-CB 4.24Å; I204-P210 HydrophobicContact CG1-CB 4.09Å; P210-F212 VanDerWaalsContact C-N 3.32Å; P210-F212 PolarHBondContact O-N 3.13Å; P210-W213 HydrophobicContact CG-CB 4.16Å; P210-F292 HydrophobicContact CG-CE2 4.39Å | ||
| 211 | P | 98.1 | Very high | 94.1 | Very high | 12 Ų | 12 | 42.2 Ų | 42.2 | 8% | 0.078 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -71.9 | -24 | 177 | 26.6 | -31.6 | 0 | 0 | 0 | 113.7 | V200 Y203 Y229 L251 | V200-P211 HydrophobicContact CB-CG 4.37Å; V200-P211 HydrophobicContact CG1-CG 4.13Å; V200-P211 HydrophobicContact CG2-CG 4.22Å; Y203-P211 HydrophobicContact CD1-CB 3.82Å; Y203-P211 VanDerWaalsContact CD1-CD 3.47Å; Y203-P211 HydrophobicContact CD1-CG 4.06Å; Y203-P211 HydrophobicContact CD2-CB 3.71Å; Y203-P211 HydrophobicContact CD2-CG 4.34Å; Y203-P211 HydrophobicContact CE1-CB 3.96Å; Y203-P211 HydrophobicContact CE2-CB 3.86Å; Y203-P211 HydrophobicContact CG-CB 3.69Å; Y203-P211 HydrophobicContact CG-CG 3.9Å; P211-Y229 HydrophobicContact CB-CG 4.33Å; P211-L251 HydrophobicContact CB-CD1 4.3Å; P211-L251 HydrophobicContact CG-CD1 4.24Å |
| 212 | F | 97.4 | Very high | 94 | Very high | 3 Ų | 3 | 45.5 Ų | 45.5 | 1% | 0.013 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -124.4 | 121 | 178.7 | -48.8 | -68.9 | 0 | 0 | 0 | 108.7 | W196 V200 P210 L220 Q223 I224 Y229 L251 | W196-F212 AromaticContact CE2-CE2 3.97Å; W196-F212 HydrophobicContact CH2-CE2 4.12Å; W196-F212 AromaticContact CH2-CZ 3.77Å; W196-F212 HydrophobicContact CH2-CZ 3.77Å; W196-F212 HydrophobicContact CZ2-CD2 4.3Å; W196-F212 HydrophobicContact CZ2-CE1 4.46Å; W196-F212 AromaticContact CZ2-CE2 3.35Å; W196-F212 HydrophobicContact CZ2-CE2 3.35Å; W196-F212 AromaticContact CZ2-CZ 3.45Å; W196-F212 HydrophobicContact CZ2-CZ 3.45Å; W196-F212 VanDerWaalsContact CZ2-CZ 3.45Å; V200-F212 HydrophobicContact CG2-CD2 4.22Å; V200-F212 HydrophobicContact CG2-CE2 4.08Å; P210-F212 VanDerWaalsContact C-N 3.32Å; P210-F212 PolarHBondContact O-N 3.13Å; F212-L220 HydrophobicContact CB-CD1 3.78Å; F212-Q223 HydrophobicContact CD1-CB 4.19Å; F212-I224 HydrophobicContact CB-CD1 4.4Å; F212-I224 HydrophobicContact CB-CG1 3.74Å; F212-I224 HydrophobicContact CD1-CG1 4.2Å; F212-I224 HydrophobicContact CD2-CG1 3.86Å; F212-I224 HydrophobicContact CG-CG1 3.65Å; F212-Y229 AromaticContact CE1-CD1 3.75Å; F212-Y229 HydrophobicContact CE1-CD1 3.75Å; F212-Y229 HydrophobicContact CE1-CG 4.2Å; F212-Y229 AromaticContact CZ-CD1 3.63Å; F212-Y229 HydrophobicContact CZ-CD1 3.63Å; F212-Y229 HydrophobicContact CZ-CE1 4.47Å; F212-Y229 HydrophobicContact CZ-CG 4.24Å; F212-L251 HydrophobicContact CE2-CD1 4.27Å; F212-L251 HydrophobicContact CE2-CD2 4.18Å; F212-L251 HydrophobicContact CZ-CD1 4.25Å |
| 213 | W | 90.5 | Very high | 94 | Very high | 108 Ų | 108 | 47.8 Ų | 47.8 | 41% | 0.409 | 23% | 0.228 | S | C | . | . | trans | -153.8 | 135.5 | 178.2 | -169.1 | 65.1 | 0 | 0 | 0 | 112.7 | P210 E215 Q223 | P210-W213 HydrophobicContact CG-CB 4.16Å; W213-E215 HydrophobicContact CH2-CG 3.4Å; W213-E215 VanDerWaalsContact CH2-CG 3.4Å; W213-E215 HydrophobicContact CZ2-CG 3.5Å; W213-E215 VanDerWaalsContact CZ2-CG 3.5Å; W213-E215 HydrophobicContact CZ3-CG 4.48Å; W213-Q223 PolarHBondContact O-NE2 3.49Å; W213-Q223 PolarHBondContact O-OE1 2.79Å | ||
| 214 | D | 89.8 | Confident | 94 | Very high | 40 Ų | 40 | 47.6 Ų | 47.6 | 21% | 0.214 | 23% | 0.227 | C | C | . | . | trans | -154.1 | 165.3 | 167.7 | -153.9 | -63.9 | 0 | 0 | 0 | 108.3 | D216 R219 L220 | D214-D216 PolarHBondContact OD1-N 3.18Å; D214-R219 HydrophobicContact CB-CB 3.93Å; D214-R219 VanDerWaalsContact CG-CB 3.41Å; D214-R219 WeakPolarHBondContact OD2-CB 3.45Å; D214-R219 WeakPolarHBondContact OD2-CD 3.49Å; D214-L220 HydrophobicContact CB-CB 4.11Å | ||
| 215 | E | 81.8 | Confident | 94 | Very high | 147 Ų | 147 | 51.6 Ų | 51.6 | 69% | 0.687 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -85 | -34.1 | 169.7 | -59.3 | -163.7 | 146.8 | 0 | 0 | 111 | W213 Q217 R295 | W213-E215 HydrophobicContact CH2-CG 3.4Å; W213-E215 VanDerWaalsContact CH2-CG 3.4Å; W213-E215 HydrophobicContact CZ2-CG 3.5Å; W213-E215 VanDerWaalsContact CZ2-CG 3.5Å; W213-E215 HydrophobicContact CZ3-CG 4.48Å; E215-Q217 PolarHBondContact O-N 3.05Å; E215-R295 IonicContact OE1-NH2 2.79Å |
| 216 | D | 84.9 | Confident | 94 | Very high | 61 Ų | 61 | 55.1 Ų | 55.1 | 33% | 0.326 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -81.1 | 112.4 | 170.6 | -179.6 | -7.7 | 0 | 0 | 0 | 109.8 | D214 N218 R219 L220 | D214-D216 PolarHBondContact OD1-N 3.18Å; D216-N218 PolarHBondContact O-N 3.49Å; D216-N218 VanDerWaalsContact O-N 3.1Å; D216-N218 VanDerWaalsContact OD1-CB 3.29Å; D216-N218 WeakPolarHBondContact OD1-CB 3.37Å; D216-N218 PolarHBondContact OD1-N 2.88Å; D216-N218 PolarHBondContact OD1-ND2 3.4Å; D216-R219 HydrophobicContact CB-CB 4.19Å; D216-R219 HydrophobicContact CB-CG 3.87Å; D216-R219 WeakPolarHBondContact O-CB 3.32Å; D216-R219 PolarHBondContact O-N 2.83Å; D216-R219 IonicContact OD2-NE 2.74Å; D216-L220 PolarHBondContact O-N 3.4Å |
| 217 | Q | 85.9 | Confident | 93.9 | Very high | 103 Ų | 103 | 55.8 Ų | 55.8 | 48% | 0.481 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -55.7 | -29.7 | 178.9 | -167.3 | -177.5 | -95.7 | 0 | 0 | 112.8 | E215 Y221 | E215-Q217 PolarHBondContact O-N 3.05Å; Q217-Y221 HydrophobicContact CG-CD1 4.47Å; Q217-Y221 HydrophobicContact CG-CD2 4.25Å; Q217-Y221 HydrophobicContact CG-CE1 3.98Å; Q217-Y221 HydrophobicContact CG-CE2 3.73Å; Q217-Y221 WeakPolarHBondContact O-CB 3.26Å; Q217-Y221 PolarHBondContact O-N 3.36Å |
| 218 | N | 90.8 | Very high | 94 | Very high | 115 Ų | 115 | 58.4 Ų | 58.4 | 62% | 0.615 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -71.3 | -35.7 | 177.5 | -57.3 | -71.1 | 0 | 0 | 0 | 112 | D216 S222 | D216-N218 PolarHBondContact O-N 3.49Å; D216-N218 VanDerWaalsContact O-N 3.1Å; D216-N218 VanDerWaalsContact OD1-CB 3.29Å; D216-N218 WeakPolarHBondContact OD1-CB 3.37Å; D216-N218 PolarHBondContact OD1-N 2.88Å; D216-N218 PolarHBondContact OD1-ND2 3.4Å; N218-S222 WeakPolarHBondContact O-CB 3.27Å; N218-S222 PolarHBondContact O-N 3.22Å |
| 219 | R | 95.2 | Very high | 94.2 | Very high | 152 Ų | 152 | 60.9 Ų | 60.9 | 57% | 0.574 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -71.4 | -43.9 | 175.3 | -64.3 | -179.7 | -168.9 | -167.6 | -1.1 | 111.1 | D214 D216 Y221 S222 Q223 | D214-R219 HydrophobicContact CB-CB 3.93Å; D214-R219 VanDerWaalsContact CG-CB 3.41Å; D214-R219 WeakPolarHBondContact OD2-CB 3.45Å; D214-R219 WeakPolarHBondContact OD2-CD 3.49Å; D216-R219 HydrophobicContact CB-CB 4.19Å; D216-R219 HydrophobicContact CB-CG 3.87Å; D216-R219 WeakPolarHBondContact O-CB 3.32Å; D216-R219 PolarHBondContact O-N 2.83Å; D216-R219 IonicContact OD2-NE 2.74Å; R219-Y221 VanDerWaalsContact C-N 3.31Å; R219-Y221 PolarHBondContact O-N 3.29Å; R219-S222 CarbonylContact O-C 3.58Å; R219-S222 WeakPolarHBondContact O-CA 3.29Å; R219-S222 VanDerWaalsContact O-CB 3.25Å; R219-S222 WeakPolarHBondContact O-CB 3.45Å; R219-S222 PolarHBondContact O-N 2.88Å; R219-Q223 WeakPolarHBondContact O-CG 3.26Å; R219-Q223 PolarHBondContact O-N 3.22Å |
| 220 | L | 94.4 | Very high | 94.3 | Very high | 16 Ų | 16 | 63 Ų | 63 | 8% | 0.084 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -52.6 | -49.7 | 169.9 | 172.9 | 62 | 0 | 0 | 0 | 111 | P176 F212 D214 D216 S222 Q223 I224 | P176-L220 HydrophobicContact CB-CD2 4.23Å; F212-L220 HydrophobicContact CB-CD1 3.78Å; D214-L220 HydrophobicContact CB-CB 4.11Å; D216-L220 PolarHBondContact O-N 3.4Å; L220-S222 VanDerWaalsContact C-N 3.26Å; L220-S222 PolarHBondContact O-N 3.21Å; L220-Q223 PolarHBondContact O-N 3.4Å; L220-I224 HydrophobicContact CD1-CD1 3.94Å; L220-I224 HydrophobicContact CD1-CG1 4.35Å; L220-I224 HydrophobicContact CG-CD1 4.04Å; L220-I224 WeakPolarHBondContact O-CG1 3.22Å; L220-I224 PolarHBondContact O-N 3.3Å |
| 221 | Y | 97.2 | Very high | 94.4 | Very high | 32 Ų | 32 | 64.1 Ų | 64.1 | 13% | 0.125 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65 | -28.1 | 176.3 | -68.9 | -12.3 | 0 | 0 | 0 | 113.3 | F172 P176 L179 L184 Q217 R219 K225 | F172-Y221 HydrophobicContact CZ-CE2 4.3Å; P176-Y221 HydrophobicContact CB-CE1 3.97Å; L179-Y221 HydrophobicContact CD1-CE1 4.13Å; L184-Y221 HydrophobicContact CD1-CD1 3.77Å; L184-Y221 HydrophobicContact CD1-CG 4.01Å; L184-Y221 HydrophobicContact CD2-CD1 3.66Å; L184-Y221 HydrophobicContact CD2-CD2 4.22Å; L184-Y221 HydrophobicContact CD2-CE1 3.77Å; L184-Y221 HydrophobicContact CD2-CE2 4.33Å; L184-Y221 HydrophobicContact CD2-CG 3.9Å; L184-Y221 HydrophobicContact CG-CD1 4.4Å; Q217-Y221 HydrophobicContact CG-CD1 4.47Å; Q217-Y221 HydrophobicContact CG-CD2 4.25Å; Q217-Y221 HydrophobicContact CG-CE1 3.98Å; Q217-Y221 HydrophobicContact CG-CE2 3.73Å; Q217-Y221 WeakPolarHBondContact O-CB 3.26Å; Q217-Y221 PolarHBondContact O-N 3.36Å; R219-Y221 VanDerWaalsContact C-N 3.31Å; R219-Y221 PolarHBondContact O-N 3.29Å; Y221-K225 VanDerWaalsContact O-CB 3.29Å; Y221-K225 WeakPolarHBondContact O-CB 3.36Å; Y221-K225 WeakPolarHBondContact O-CE 3.49Å; Y221-K225 VanDerWaalsContact O-CG 3.23Å; Y221-K225 WeakPolarHBondContact O-CG 3.45Å; Y221-K225 PolarHBondContact O-N 2.85Å |
| 222 | S | 97.1 | Very high | 94.4 | Very high | 68 Ų | 68 | 65.6 Ų | 65.6 | 48% | 0.476 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.1 | -49.9 | 172.4 | -158.2 | 0 | 0 | 0 | 0 | 111.4 | N218 R219 L220 I224 K225 S226 | N218-S222 WeakPolarHBondContact O-CB 3.27Å; N218-S222 PolarHBondContact O-N 3.22Å; R219-S222 CarbonylContact O-C 3.58Å; R219-S222 WeakPolarHBondContact O-CA 3.29Å; R219-S222 VanDerWaalsContact O-CB 3.25Å; R219-S222 WeakPolarHBondContact O-CB 3.45Å; R219-S222 PolarHBondContact O-N 2.88Å; L220-S222 VanDerWaalsContact C-N 3.26Å; L220-S222 PolarHBondContact O-N 3.21Å; S222-I224 PolarHBondContact O-N 3.04Å; S222-K225 PolarHBondContact O-N 3.47Å; S222-K225 VanDerWaalsContact O-N 3.17Å; S222-S226 PolarHBondContact O-N 3.26Å; S222-S226 PolarHBondContact O-OG 2.93Å; S222-S226 VanDerWaalsContact O-OG 3.1Å |
| 223 | Q | 97.4 | Very high | 94.3 | Very high | 48 Ų | 48 | 69.4 Ų | 69.4 | 22% | 0.224 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -55.2 | -48.4 | 176.6 | -65.3 | 172 | 14.9 | 0 | 0 | 111.5 | F212 W213 R219 L220 S226 G227 A228 | F212-Q223 HydrophobicContact CD1-CB 4.19Å; W213-Q223 PolarHBondContact O-NE2 3.49Å; W213-Q223 PolarHBondContact O-OE1 2.79Å; R219-Q223 WeakPolarHBondContact O-CG 3.26Å; R219-Q223 PolarHBondContact O-N 3.22Å; L220-Q223 PolarHBondContact O-N 3.4Å; Q223-S226 PolarHBondContact O-N 3.4Å; Q223-S226 PolarHBondContact O-OG 3.39Å; Q223-S226 VanDerWaalsContact O-OG 3.05Å; Q223-G227 PolarHBondContact O-N 2.97Å; Q223-A228 PolarHBondContact O-N 3.08Å |
| 224 | I | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.5 | -49.2 | 176.8 | -66.7 | 168.6 | 0 | 0 | 0 | 110.2 | P176 L179 P181 L184 W196 F212 L220 S222 S226 G227 | P176-I224 WeakPolarHBondContact O-CD1 3.34Å; L179-I224 VanDerWaalsContact O-CG2 3.24Å; L179-I224 WeakPolarHBondContact O-CG2 3.44Å; P181-I224 HydrophobicContact CG-CG2 4.35Å; P181-I224 WeakPolarHBondContact CG-O 3.23Å; L184-I224 HydrophobicContact CD1-CB 3.66Å; L184-I224 HydrophobicContact CD1-CD1 4.15Å; L184-I224 HydrophobicContact CD1-CG2 3.43Å; L184-I224 VanDerWaalsContact CD1-CG2 3.43Å; L184-I224 HydrophobicContact CG-CG2 4.44Å; W196-I224 HydrophobicContact CZ2-CG2 3.81Å; F212-I224 HydrophobicContact CB-CD1 4.4Å; F212-I224 HydrophobicContact CB-CG1 3.74Å; F212-I224 HydrophobicContact CD1-CG1 4.2Å; F212-I224 HydrophobicContact CD2-CG1 3.86Å; F212-I224 HydrophobicContact CG-CG1 3.65Å; L220-I224 HydrophobicContact CD1-CD1 3.94Å; L220-I224 HydrophobicContact CD1-CG1 4.35Å; L220-I224 HydrophobicContact CG-CD1 4.04Å; L220-I224 WeakPolarHBondContact O-CG1 3.22Å; L220-I224 PolarHBondContact O-N 3.3Å; S222-I224 PolarHBondContact O-N 3.04Å; I224-S226 VanDerWaalsContact C-N 3.28Å; I224-S226 PolarHBondContact O-N 3.13Å; I224-G227 PolarHBondContact O-N 3.18Å |
| 225 | K | 98.2 | Very high | 94.7 | Very high | 83 Ų | 83 | 69.3 Ų | 69.3 | 36% | 0.361 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63 | -29.6 | -177.9 | -80.2 | -178.9 | -64.8 | 178 | 0 | 114.1 | L184 R185 Y221 S222 | L184-K225 HydrophobicContact CB-CD 4.01Å; L184-K225 HydrophobicContact CB-CG 3.73Å; L184-K225 HydrophobicContact CD1-CG 4.14Å; R185-K225 HydrophobicContact CG-CD 4.01Å; R185-K225 HydrophobicContact CG-CG 4.17Å; R185-K225 PolarHBondContact NH2-O 2.88Å; Y221-K225 VanDerWaalsContact O-CB 3.29Å; Y221-K225 WeakPolarHBondContact O-CB 3.36Å; Y221-K225 WeakPolarHBondContact O-CE 3.49Å; Y221-K225 VanDerWaalsContact O-CG 3.23Å; Y221-K225 WeakPolarHBondContact O-CG 3.45Å; Y221-K225 PolarHBondContact O-N 2.85Å; S222-K225 PolarHBondContact O-N 3.47Å; S222-K225 VanDerWaalsContact O-N 3.17Å |
| 226 | S | 97.6 | Very high | 95.4 | Very high | 75 Ų | 75 | 62.3 Ų | 62.3 | 52% | 0.524 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -86.9 | -15.4 | 173.6 | 55.9 | 0 | 0 | 0 | 0 | 113.6 | S222 Q223 I224 A228 | S222-S226 PolarHBondContact O-N 3.26Å; S222-S226 PolarHBondContact O-OG 2.93Å; S222-S226 VanDerWaalsContact O-OG 3.1Å; Q223-S226 PolarHBondContact O-N 3.4Å; Q223-S226 PolarHBondContact O-OG 3.39Å; Q223-S226 VanDerWaalsContact O-OG 3.05Å; I224-S226 VanDerWaalsContact C-N 3.28Å; I224-S226 PolarHBondContact O-N 3.13Å; S226-A228 VanDerWaalsContact C-N 3.29Å; S226-A228 WeakPolarHBondContact OG-CB 3.18Å; S226-A228 PolarHBondContact OG-N 3.33Å |
| 227 | G | 97.4 | Very high | 96 | Very high | 15 Ų | 15 | 64.3 Ų | 64.3 | 16% | 0.155 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 31.7 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q223 I224 Y229 | Q223-G227 PolarHBondContact O-N 2.97Å; I224-G227 PolarHBondContact O-N 3.18Å; G227-Y229 VanDerWaalsContact O-CD1 3.27Å; G227-Y229 WeakPolarHBondContact O-CD1 3.46Å; G227-Y229 PolarHBondContact O-N 3.04Å; G227-Y229 VanDerWaalsContact O-N 3.13Å |
| 228 | A | 97.3 | Very high | 96.4 | Very high | 55 Ų | 55 | 63.6 Ų | 63.6 | 46% | 0.455 | 35% | 0.351 | S | S | . | . | trans | -80.7 | 89.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q223 S226 | Q223-A228 PolarHBondContact O-N 3.08Å; S226-A228 VanDerWaalsContact C-N 3.29Å; S226-A228 WeakPolarHBondContact OG-CB 3.18Å; S226-A228 PolarHBondContact OG-N 3.33Å | ||
| 229 | Y | 98.2 | Very high | 96.8 | Very high | 52 Ų | 52 | 58.3 Ų | 58.3 | 20% | 0.204 | 32% | 0.323 | C | S | . | . | trans | -133.5 | 160.3 | 164.7 | 66.5 | -80.9 | 0 | 0 | 0 | 108.2 | Y203 P211 F212 G227 Y231 I247 N248 L251 | Y203-Y229 HydrophobicContact CE2-CD2 4.38Å; P211-Y229 HydrophobicContact CB-CG 4.33Å; F212-Y229 AromaticContact CE1-CD1 3.75Å; F212-Y229 HydrophobicContact CE1-CD1 3.75Å; F212-Y229 HydrophobicContact CE1-CG 4.2Å; F212-Y229 AromaticContact CZ-CD1 3.63Å; F212-Y229 HydrophobicContact CZ-CD1 3.63Å; F212-Y229 HydrophobicContact CZ-CE1 4.47Å; F212-Y229 HydrophobicContact CZ-CG 4.24Å; G227-Y229 VanDerWaalsContact O-CD1 3.27Å; G227-Y229 WeakPolarHBondContact O-CD1 3.46Å; G227-Y229 PolarHBondContact O-N 3.04Å; G227-Y229 VanDerWaalsContact O-N 3.13Å; Y229-Y231 HydrophobicContact CE2-CE1 4.38Å; Y229-Y231 HydrophobicContact CE2-CE2 4.35Å; Y229-Y231 AromaticContact CE2-CZ 3.89Å; Y229-I247 HydrophobicContact CE2-CG2 4.16Å; Y229-N248 WeakPolarHBondContact OH-CA 3.4Å; Y229-N248 PolarHBondContact OH-OD1 2.72Å; Y229-N248 VanDerWaalsContact OH-OD1 3.09Å; Y229-L251 HydrophobicContact CD1-CB 4.35Å; Y229-L251 HydrophobicContact CD1-CD1 3.96Å; Y229-L251 HydrophobicContact CD2-CD1 4.13Å; Y229-L251 HydrophobicContact CE1-CB 3.57Å; Y229-L251 HydrophobicContact CE1-CD1 3.88Å; Y229-L251 HydrophobicContact CE1-CG 4.39Å; Y229-L251 HydrophobicContact CE2-CD1 4.04Å; Y229-L251 HydrophobicContact CG-CD1 4.1Å | ||
| 230 | D | 97.8 | Very high | 96.9 | Very high | 105 Ų | 105 | 52 Ų | 52 | 56% | 0.561 | 30% | 0.301 | S | S | * | . | trans | -135.8 | -169.9 | 179 | 60.8 | -5.2 | 0 | 0 | 0 | 111.3 | Y203 | Y203-D230 WeakPolarHBondContact CE2-O 3.35Å; Y203-D230 PolarHBondContact OH-O 3.22Å | ||
| 231 | Y | 98.2 | Very high | 97.1 | Very high | 56 Ų | 56 | 55.8 Ų | 55.8 | 22% | 0.22 | 33% | 0.327 | C | S | . | . | trans | -132.5 | 74.7 | 179.3 | -63.9 | -57.5 | 0 | 0 | 0 | 108.7 | Y203 Y229 W236 K244 I247 N248 | Y203-Y231 HydrophobicContact CD2-CE1 4.17Å; Y203-Y231 HydrophobicContact CE2-CD1 4.03Å; Y203-Y231 AromaticContact CE2-CE1 3.99Å; Y203-Y231 HydrophobicContact CE2-CE1 3.99Å; Y229-Y231 HydrophobicContact CE2-CE1 4.38Å; Y229-Y231 HydrophobicContact CE2-CE2 4.35Å; Y229-Y231 AromaticContact CE2-CZ 3.89Å; Y231-W236 AromaticContact CD1-CD2 3.46Å; Y231-W236 HydrophobicContact CD1-CD2 3.46Å; Y231-W236 VanDerWaalsContact CD1-CD2 3.46Å; Y231-W236 AromaticContact CD1-CE2 3.7Å; Y231-W236 AromaticContact CD1-CE3 3.39Å; Y231-W236 HydrophobicContact CD1-CE3 3.39Å; Y231-W236 HydrophobicContact CD1-CG 4.14Å; Y231-W236 AromaticContact CD1-CH2 3.89Å; Y231-W236 HydrophobicContact CD1-CH2 3.89Å; Y231-W236 AromaticContact CD1-CZ2 3.94Å; Y231-W236 HydrophobicContact CD1-CZ2 3.94Å; Y231-W236 AromaticContact CD1-CZ3 3.6Å; Y231-W236 HydrophobicContact CD1-CZ3 3.6Å; Y231-W236 HydrophobicContact CE1-CD2 4.35Å; Y231-W236 AromaticContact CE1-CE3 3.93Å; Y231-W236 HydrophobicContact CE1-CE3 3.93Å; Y231-W236 AromaticContact CE1-CH2 3.84Å; Y231-W236 HydrophobicContact CE1-CH2 3.84Å; Y231-W236 HydrophobicContact CE1-CZ2 4.24Å; Y231-W236 AromaticContact CE1-CZ3 3.64Å; Y231-W236 HydrophobicContact CE1-CZ3 3.64Å; Y231-W236 HydrophobicContact CG-CD2 4.16Å; Y231-W236 HydrophobicContact CG-CE3 4.16Å; Y231-W236 HydrophobicContact CG-CG 4.44Å; Y231-K244 HydrophobicContact CD1-CG 4.25Å; Y231-K244 HydrophobicContact CD2-CD 4.37Å; Y231-K244 HydrophobicContact CD2-CG 4.25Å; Y231-K244 HydrophobicContact CE1-CB 4.45Å; Y231-K244 HydrophobicContact CE1-CG 4.1Å; Y231-K244 HydrophobicContact CE2-CB 3.98Å; Y231-K244 HydrophobicContact CE2-CG 4.14Å; Y231-K244 HydrophobicContact CG-CD 4.46Å; Y231-K244 HydrophobicContact CG-CG 4.3Å; Y231-K244 PolarHBondContact OH-O 2.88Å; Y231-K244 VanDerWaalsContact OH-O 3.06Å; Y231-I247 HydrophobicContact CE1-CD1 4.31Å; Y231-I247 HydrophobicContact CE1-CG2 4.25Å; Y231-I247 WeakPolarHBondContact OH-CB 3.37Å; Y231-I247 WeakPolarHBondContact OH-CG2 3.19Å; Y231-N248 WeakPolarHBondContact CE2-OD1 3.22Å; Y231-N248 PolarHBondContact OH-OD1 2.89Å | ||
| 232 | P | 96.8 | Very high | 97.2 | Very high | 43 Ų | 43 | 57.8 Ų | 57.8 | 28% | 0.279 | 34% | 0.337 | S | S | . | . | trans | -67.9 | 143 | -171 | 26.9 | -36 | 0 | 0 | 0 | 112.9 | Y209 W236 | Y209-P232 WeakPolarHBondContact OH-CG 3.49Å; P232-W236 VanDerWaalsContact CD-CD1 3.45Å; P232-W236 WeakPolarHBondContact O-CB 3.39Å; P232-W236 VanDerWaalsContact O-CD1 3.29Å; P232-W236 PolarHBondContact O-N 2.83Å | ||
| 233 | S | 95.9 | Very high | 97.3 | Very high | 84 Ų | 84 | 54.5 Ų | 54.5 | 59% | 0.587 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | 146.5 | 169.3 | -55.3 | 0 | 0 | 0 | 0 | 110.3 | D237 | S233-D237 WeakPolarHBondContact CB-OD1 3.2Å; S233-D237 WeakPolarHBondContact CB-OD2 3.33Å; S233-D237 PolarHBondContact OG-OD1 3.04Å; S233-D237 PolarHBondContact OG-OD2 2.9Å |
| 234 | P | 95 | Very high | 97.3 | Very high | 84 Ų | 84 | 54.3 Ų | 54.3 | 55% | 0.545 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -92.1 | -15.2 | 8 | 35.6 | -36.6 | 0 | 0 | 0 | 115.4 | W236 D237 | P234-W236 VanDerWaalsContact C-N 3.27Å; P234-W236 PolarHBondContact O-N 2.85Å; P234-D237 WeakPolarHBondContact O-CB 3.47Å; P234-D237 PolarHBondContact O-N 3.35Å; P234-D237 VanDerWaalsContact O-N 3.07Å |
| 235 | E | 93.5 | Very high | 97.3 | Very high | 62 Ų | 62 | 57.8 Ų | 57.8 | 29% | 0.29 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -33.2 | -165.6 | -56.9 | 76.1 | -161 | 0 | 0 | 112.5 | V207 T238 R282 | V207-E235 HydrophobicContact CG1-CB 4.09Å; E235-T238 PolarHBondContact O-OG1 2.81Å; E235-R282 PolarHBondContact O-NH2 3.3Å |
| 236 | W | 97.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -13.4 | 177.8 | -73.3 | 93.7 | 0 | 0 | 0 | 114.4 | Y203 L206 V207 Y209 Y231 P232 P234 T238 V239 K244 I247 | Y203-W236 AromaticContact CD1-CZ2 3.96Å; Y203-W236 HydrophobicContact CD1-CZ2 3.96Å; Y203-W236 AromaticContact CD2-CH2 3.7Å; Y203-W236 HydrophobicContact CD2-CH2 3.7Å; Y203-W236 AromaticContact CD2-CZ2 3.44Å; Y203-W236 HydrophobicContact CD2-CZ2 3.44Å; Y203-W236 VanDerWaalsContact CD2-CZ2 3.44Å; Y203-W236 AromaticContact CE1-CZ2 3.8Å; Y203-W236 HydrophobicContact CE1-CZ2 3.8Å; Y203-W236 AromaticContact CE2-CE2 3.84Å; Y203-W236 AromaticContact CE2-CH2 3.91Å; Y203-W236 HydrophobicContact CE2-CH2 3.91Å; Y203-W236 AromaticContact CE2-CZ2 3.25Å; Y203-W236 HydrophobicContact CE2-CZ2 3.25Å; Y203-W236 HydrophobicContact CG-CH2 4.11Å; Y203-W236 AromaticContact CG-CZ2 3.79Å; Y203-W236 HydrophobicContact CG-CZ2 3.79Å; Y203-W236 AromaticContact CZ-CE2 3.82Å; Y203-W236 AromaticContact CZ-CZ2 3.44Å; Y203-W236 VanDerWaalsContact CZ-CZ2 3.44Å; Y203-W236 AromaticContact CZ-NE1 3.76Å; Y203-W236 PolarHBondContact OH-NE1 2.87Å; L206-W236 HydrophobicContact CB-CH2 4.04Å; L206-W236 HydrophobicContact CB-CZ3 4.41Å; L206-W236 HydrophobicContact CD1-CH2 4.05Å; L206-W236 HydrophobicContact CD1-CZ3 3.95Å; V207-W236 HydrophobicContact CB-CZ2 4.26Å; V207-W236 HydrophobicContact CG1-CD2 3.92Å; V207-W236 VanDerWaalsContact CG1-CE2 3.43Å; V207-W236 HydrophobicContact CG1-CG 4.25Å; V207-W236 HydrophobicContact CG1-CH2 4.37Å; V207-W236 HydrophobicContact CG1-CZ2 3.67Å; V207-W236 HydrophobicContact CG2-CZ2 3.55Å; Y209-W236 AromaticContact CZ-NE1 3.98Å; Y209-W236 PolarHBondContact OH-NE1 3.27Å; Y231-W236 AromaticContact CD1-CD2 3.46Å; Y231-W236 HydrophobicContact CD1-CD2 3.46Å; Y231-W236 VanDerWaalsContact CD1-CD2 3.46Å; Y231-W236 AromaticContact CD1-CE2 3.7Å; Y231-W236 AromaticContact CD1-CE3 3.39Å; Y231-W236 HydrophobicContact CD1-CE3 3.39Å; Y231-W236 HydrophobicContact CD1-CG 4.14Å; Y231-W236 AromaticContact CD1-CH2 3.89Å; Y231-W236 HydrophobicContact CD1-CH2 3.89Å; Y231-W236 AromaticContact CD1-CZ2 3.94Å; Y231-W236 HydrophobicContact CD1-CZ2 3.94Å; Y231-W236 AromaticContact CD1-CZ3 3.6Å; Y231-W236 HydrophobicContact CD1-CZ3 3.6Å; Y231-W236 HydrophobicContact CE1-CD2 4.35Å; Y231-W236 AromaticContact CE1-CE3 3.93Å; Y231-W236 HydrophobicContact CE1-CE3 3.93Å; Y231-W236 AromaticContact CE1-CH2 3.84Å; Y231-W236 HydrophobicContact CE1-CH2 3.84Å; Y231-W236 HydrophobicContact CE1-CZ2 4.24Å; Y231-W236 AromaticContact CE1-CZ3 3.64Å; Y231-W236 HydrophobicContact CE1-CZ3 3.64Å; Y231-W236 HydrophobicContact CG-CD2 4.16Å; Y231-W236 HydrophobicContact CG-CE3 4.16Å; Y231-W236 HydrophobicContact CG-CG 4.44Å; P232-W236 VanDerWaalsContact CD-CD1 3.45Å; P232-W236 WeakPolarHBondContact O-CB 3.39Å; P232-W236 VanDerWaalsContact O-CD1 3.29Å; P232-W236 PolarHBondContact O-N 2.83Å; P234-W236 VanDerWaalsContact C-N 3.27Å; P234-W236 PolarHBondContact O-N 2.85Å; W236-T238 PolarHBondContact O-N 2.93Å; W236-V239 HydrophobicContact CD2-CG2 4.41Å; W236-V239 HydrophobicContact CE3-CB 3.77Å; W236-V239 HydrophobicContact CE3-CG1 3.72Å; W236-V239 HydrophobicContact CE3-CG2 3.87Å; W236-V239 HydrophobicContact CZ3-CB 4.27Å; W236-V239 HydrophobicContact CZ3-CG1 3.71Å; W236-V239 HydrophobicContact CZ3-CG2 4.35Å; W236-V239 WeakPolarHBondContact O-CB 3.47Å; W236-V239 PolarHBondContact O-N 3.42Å; W236-K244 HydrophobicContact CE3-CG 4Å; W236-K244 HydrophobicContact CZ3-CG 4.11Å; W236-K244 VanDerWaalsContact O-CE 3.26Å; W236-K244 WeakPolarHBondContact O-CE 3.44Å; W236-K244 PolarHBondContact O-NZ 3.49Å; W236-I247 HydrophobicContact CH2-CD1 3.53Å; W236-I247 HydrophobicContact CZ3-CD1 3.84Å |
| 237 | D | 96.5 | Very high | 97.4 | Very high | 103 Ų | 103 | 50.3 Ų | 50.3 | 55% | 0.551 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -32.1 | -176.4 | -64.6 | -14.4 | 0 | 0 | 0 | 111.6 | S233 P234 | S233-D237 WeakPolarHBondContact CB-OD1 3.2Å; S233-D237 WeakPolarHBondContact CB-OD2 3.33Å; S233-D237 PolarHBondContact OG-OD1 3.04Å; S233-D237 PolarHBondContact OG-OD2 2.9Å; P234-D237 WeakPolarHBondContact O-CB 3.47Å; P234-D237 PolarHBondContact O-N 3.35Å; P234-D237 VanDerWaalsContact O-N 3.07Å |
| 238 | T | 95.6 | Very high | 97.5 | Very high | 87 Ų | 87 | 52.7 Ų | 52.7 | 53% | 0.534 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -3.7 | 177.1 | 55.2 | 0 | 0 | 0 | 0 | 114.1 | E235 W236 R282 | E235-T238 PolarHBondContact O-OG1 2.81Å; W236-T238 PolarHBondContact O-N 2.93Å; T238-R282 PolarHBondContact OG1-NH1 2.84Å |
| 239 | V | 97.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.024 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -87.2 | 130.8 | -179.1 | 177.8 | 0 | 0 | 0 | 0 | 111 | E108 L206 W236 A243 K244 R282 | E108-V239 VanDerWaalsContact OE1-CA 3.29Å; E108-V239 WeakPolarHBondContact OE1-CA 3.39Å; L206-V239 HydrophobicContact CD1-CG1 3.95Å; W236-V239 HydrophobicContact CD2-CG2 4.41Å; W236-V239 HydrophobicContact CE3-CB 3.77Å; W236-V239 HydrophobicContact CE3-CG1 3.72Å; W236-V239 HydrophobicContact CE3-CG2 3.87Å; W236-V239 HydrophobicContact CZ3-CB 4.27Å; W236-V239 HydrophobicContact CZ3-CG1 3.71Å; W236-V239 HydrophobicContact CZ3-CG2 4.35Å; W236-V239 WeakPolarHBondContact O-CB 3.47Å; W236-V239 PolarHBondContact O-N 3.42Å; V239-A243 HydrophobicContact CG1-CB 3.73Å; V239-K244 HydrophobicContact CG1-CG 4.32Å; V239-K244 WeakPolarHBondContact O-CE 3.13Å; V239-K244 PolarHBondContact O-NZ 3.24Å; V239-R282 VanDerWaalsContact CG2-NH2 3.29Å |
| 240 | T | 98.2 | Very high | 97.6 | Very high | 21 Ų | 21 | 50.3 Ų | 50.3 | 13% | 0.129 | 28% | 0.281 | C | S | . | . | trans | -56.4 | 144.4 | -175.2 | 60.9 | 0 | 0 | 0 | 0 | 113.2 | E108 E242 A243 K244 W269 V276 | E108-T240 WeakPolarHBondContact OE1-CG2 3.23Å; E108-T240 PolarHBondContact OE1-N 3.34Å; E108-T240 WeakPolarHBondContact OE2-CB 3.37Å; E108-T240 VanDerWaalsContact OE2-CG2 3.3Å; E108-T240 WeakPolarHBondContact OE2-CG2 3.36Å; E108-T240 PolarHBondContact OE2-OG1 3.48Å; T240-E242 PolarHBondContact O-N 3.25Å; T240-A243 PolarHBondContact O-N 3.4Å; T240-A243 VanDerWaalsContact OG1-CB 3.31Å; T240-A243 WeakPolarHBondContact OG1-CB 3.4Å; T240-A243 PolarHBondContact OG1-N 3.49Å; T240-K244 PolarHBondContact O-N 3.25Å; T240-W269 PolarHBondContact OG1-NE1 3.35Å; T240-V276 WeakPolarHBondContact CG2-O 3.32Å | ||
| 241 | P | 98.3 | Very high | 97.7 | Very high | 95 Ų | 95 | 45.5 Ų | 45.5 | 62% | 0.617 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -55.4 | -33.7 | 173.3 | -26.1 | 35.3 | 0 | 0 | 0 | 113.1 | K244 N245 | P241-K244 PolarHBondContact O-N 3.27Å; P241-N245 VanDerWaalsContact O-CB 3.28Å; P241-N245 WeakPolarHBondContact O-CB 3.26Å; P241-N245 PolarHBondContact O-N 2.81Å |
| 242 | E | 98.6 | Very high | 97.7 | Very high | 73 Ų | 73 | 44.4 Ų | 44.4 | 34% | 0.341 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -72 | -37 | -179.1 | -64.4 | 81.5 | 177.8 | 0 | 0 | 112.3 | T240 N245 L246 H267 W269 V276 | T240-E242 PolarHBondContact O-N 3.25Å; E242-N245 PolarHBondContact O-N 2.84Å; E242-L246 PolarHBondContact O-N 3.03Å; E242-H267 WeakPolarHBondContact CA-CE1 3.35Å; E242-H267 WeakPolarHBondContact CB-CE1 3.48Å; E242-H267 PolarHBondContact O-CE1 3.05Å; E242-W269 HydrophobicContact CB-CB 4.01Å; E242-W269 HydrophobicContact CB-CG 4.49Å; E242-V276 HydrophobicContact CB-CG1 3.51Å; E242-V276 HydrophobicContact CG-CG1 3.52Å |
| 243 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.1 | -50 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L206 V239 T240 N245 L246 I247 W269 | L206-A243 HydrophobicContact CD1-CB 3.76Å; V239-A243 HydrophobicContact CG1-CB 3.73Å; T240-A243 PolarHBondContact O-N 3.4Å; T240-A243 VanDerWaalsContact OG1-CB 3.31Å; T240-A243 WeakPolarHBondContact OG1-CB 3.4Å; T240-A243 PolarHBondContact OG1-N 3.49Å; A243-N245 VanDerWaalsContact C-N 3.29Å; A243-N245 PolarHBondContact O-N 2.78Å; A243-L246 PolarHBondContact O-N 3.31Å; A243-I247 WeakPolarHBondContact O-CG1 3.24Å; A243-I247 PolarHBondContact O-N 2.82Å; A243-W269 HydrophobicContact CB-CD2 4.28Å; A243-W269 HydrophobicContact CB-CG 4.35Å; A243-W269 HydrophobicContact CB-CZ2 4.21Å |
| 244 | K | 98.8 | Very high | 97.9 | Very high | 44 Ų | 44 | 42.3 Ų | 42.3 | 19% | 0.191 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.5 | -38.5 | 175.7 | -67.1 | 166.7 | 179.3 | 155.2 | 0 | 111.5 | Y231 W236 V239 T240 P241 I247 N248 | Y231-K244 HydrophobicContact CD1-CG 4.25Å; Y231-K244 HydrophobicContact CD2-CD 4.37Å; Y231-K244 HydrophobicContact CD2-CG 4.25Å; Y231-K244 HydrophobicContact CE1-CB 4.45Å; Y231-K244 HydrophobicContact CE1-CG 4.1Å; Y231-K244 HydrophobicContact CE2-CB 3.98Å; Y231-K244 HydrophobicContact CE2-CG 4.14Å; Y231-K244 HydrophobicContact CG-CD 4.46Å; Y231-K244 HydrophobicContact CG-CG 4.3Å; Y231-K244 PolarHBondContact OH-O 2.88Å; Y231-K244 VanDerWaalsContact OH-O 3.06Å; W236-K244 HydrophobicContact CE3-CG 4Å; W236-K244 HydrophobicContact CZ3-CG 4.11Å; W236-K244 VanDerWaalsContact O-CE 3.26Å; W236-K244 WeakPolarHBondContact O-CE 3.44Å; W236-K244 PolarHBondContact O-NZ 3.49Å; V239-K244 HydrophobicContact CG1-CG 4.32Å; V239-K244 WeakPolarHBondContact O-CE 3.13Å; V239-K244 PolarHBondContact O-NZ 3.24Å; T240-K244 PolarHBondContact O-N 3.25Å; P241-K244 PolarHBondContact O-N 3.27Å; K244-I247 PolarHBondContact O-N 3.11Å; K244-N248 WeakPolarHBondContact O-CB 3.24Å; K244-N248 PolarHBondContact O-N 3.21Å; K244-N248 PolarHBondContact O-ND2 2.87Å; K244-N248 PolarHBondContact O-OD1 3.49Å |
| 245 | N | 98.7 | Very high | 98 | Very high | 73 Ų | 73 | 40.5 Ų | 40.5 | 39% | 0.39 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.7 | -44.9 | 176.4 | -176.3 | -97.7 | 0 | 0 | 0 | 111.9 | P241 E242 A243 N248 L249 H267 | P241-N245 VanDerWaalsContact O-CB 3.28Å; P241-N245 WeakPolarHBondContact O-CB 3.26Å; P241-N245 PolarHBondContact O-N 2.81Å; E242-N245 PolarHBondContact O-N 2.84Å; A243-N245 VanDerWaalsContact C-N 3.29Å; A243-N245 PolarHBondContact O-N 2.78Å; N245-N248 PolarHBondContact O-N 2.87Å; N245-L249 VanDerWaalsContact O-CG 3.28Å; N245-L249 WeakPolarHBondContact O-CG 3.25Å; N245-L249 PolarHBondContact O-N 2.94Å; N245-L249 WeakPolarHBondContact OD1-CD1 3.33Å; N245-H267 WeakPolarHBondContact CB-NE2 3.02Å; N245-H267 PolarHBondContact OD1-NE2 2.82Å |
| 246 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 176.4 | -175.5 | 56.6 | 0 | 0 | 0 | 111.9 | L202 E242 A243 N248 L249 M250 I259 A264 H267 W269 I270 | L202-L246 HydrophobicContact CD2-CB 4.31Å; L202-L246 HydrophobicContact CD2-CD2 3.89Å; L202-L246 HydrophobicContact CD2-CG 3.96Å; E242-L246 PolarHBondContact O-N 3.03Å; A243-L246 PolarHBondContact O-N 3.31Å; L246-N248 PolarHBondContact O-N 3.43Å; L246-L249 PolarHBondContact O-N 3.04Å; L246-M250 HydrophobicContact CD1-CE 3.95Å; L246-M250 HydrophobicContact CD1-CG 4.49Å; L246-M250 HydrophobicContact CD2-CE 4.35Å; L246-M250 HydrophobicContact CG-CE 4.07Å; L246-M250 HydrophobicContact CG-SD 4.49Å; L246-M250 WeakPolarHBondContact O-CG 3.38Å; L246-M250 PolarHBondContact O-N 3.05Å; L246-I259 HydrophobicContact CD1-CD1 4.35Å; L246-A264 HydrophobicContact CD1-CB 4.21Å; L246-H267 HydrophobicContact CD1-CB 3.93Å; L246-W269 HydrophobicContact CD2-CE3 3.78Å; L246-W269 HydrophobicContact CD2-CZ3 4.35Å; L246-I270 HydrophobicContact CD2-CD1 4.07Å; L246-I270 HydrophobicContact CD2-CG1 3.75Å |
| 247 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59 | -46.9 | 173.5 | -68.1 | 169.6 | 0 | 0 | 0 | 110.6 | L202 Y203 L206 Y229 Y231 W236 A243 K244 L249 M250 L251 | L202-I247 HydrophobicContact CB-CG1 4.39Å; L202-I247 HydrophobicContact CD2-CD1 4.42Å; L202-I247 HydrophobicContact CD2-CG1 3.58Å; L202-I247 HydrophobicContact CG-CD1 4.05Å; L202-I247 HydrophobicContact CG-CG1 3.64Å; Y203-I247 HydrophobicContact CD2-CD1 4.32Å; Y203-I247 HydrophobicContact CD2-CG2 4.27Å; L206-I247 HydrophobicContact CD1-CD1 3.82Å; Y229-I247 HydrophobicContact CE2-CG2 4.16Å; Y231-I247 HydrophobicContact CE1-CD1 4.31Å; Y231-I247 HydrophobicContact CE1-CG2 4.25Å; Y231-I247 WeakPolarHBondContact OH-CB 3.37Å; Y231-I247 WeakPolarHBondContact OH-CG2 3.19Å; W236-I247 HydrophobicContact CH2-CD1 3.53Å; W236-I247 HydrophobicContact CZ3-CD1 3.84Å; A243-I247 WeakPolarHBondContact O-CG1 3.24Å; A243-I247 PolarHBondContact O-N 2.82Å; K244-I247 PolarHBondContact O-N 3.11Å; I247-L249 VanDerWaalsContact C-N 3.28Å; I247-L249 PolarHBondContact O-N 2.97Å; I247-M250 PolarHBondContact O-N 3.28Å; I247-M250 VanDerWaalsContact O-N 3.13Å; I247-L251 HydrophobicContact CG2-CD1 3.65Å; I247-L251 HydrophobicContact CG2-CG 4.06Å; I247-L251 WeakPolarHBondContact O-CB 3.09Å; I247-L251 PolarHBondContact O-N 3.39Å |
| 248 | N | 98.8 | Very high | 98.3 | Very high | 65 Ų | 65 | 47.1 Ų | 47.1 | 35% | 0.348 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.7 | -40 | 178.4 | -67.7 | -13.9 | 0 | 0 | 0 | 112.5 | Y229 Y231 K244 N245 L246 T252 | Y229-N248 WeakPolarHBondContact OH-CA 3.4Å; Y229-N248 PolarHBondContact OH-OD1 2.72Å; Y229-N248 VanDerWaalsContact OH-OD1 3.09Å; Y231-N248 WeakPolarHBondContact CE2-OD1 3.22Å; Y231-N248 PolarHBondContact OH-OD1 2.89Å; K244-N248 WeakPolarHBondContact O-CB 3.24Å; K244-N248 PolarHBondContact O-N 3.21Å; K244-N248 PolarHBondContact O-ND2 2.87Å; K244-N248 PolarHBondContact O-OD1 3.49Å; N245-N248 PolarHBondContact O-N 2.87Å; L246-N248 PolarHBondContact O-N 3.43Å; N248-T252 PolarHBondContact O-N 3.02Å; N248-T252 PolarHBondContact O-OG1 3.27Å |
| 249 | L | 98.8 | Very high | 98.5 | Very high | 57 Ų | 57 | 43.9 Ų | 43.9 | 30% | 0.298 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -69.5 | -33.7 | 178.2 | -70.5 | 169.7 | 0 | 0 | 0 | 112.5 | N245 L246 I247 R258 I259 | N245-L249 VanDerWaalsContact O-CG 3.28Å; N245-L249 WeakPolarHBondContact O-CG 3.25Å; N245-L249 PolarHBondContact O-N 2.94Å; N245-L249 WeakPolarHBondContact OD1-CD1 3.33Å; L246-L249 PolarHBondContact O-N 3.04Å; I247-L249 VanDerWaalsContact C-N 3.28Å; I247-L249 PolarHBondContact O-N 2.97Å; L249-R258 WeakPolarHBondContact O-CG 3.39Å; L249-I259 HydrophobicContact CB-CB 4Å; L249-I259 HydrophobicContact CB-CD1 4.31Å; L249-I259 HydrophobicContact CB-CG2 3.93Å; L249-I259 HydrophobicContact CD1-CD1 4.19Å; L249-I259 WeakPolarHBondContact O-CG2 3.44Å; L249-I259 PolarHBondContact O-N 2.88Å; L249-I259 VanDerWaalsContact O-N 3.1Å |
| 250 | M | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -78.6 | -42.2 | 174.7 | -69.3 | -173.9 | 172.6 | 0 | 0 | 113.2 | I119 V195 C198 G199 L202 L246 I247 T252 R258 I259 A264 | I119-M250 HydrophobicContact CD1-CE 3.7Å; I119-M250 HydrophobicContact CG1-CE 4.14Å; V195-M250 HydrophobicContact CG1-CB 4.28Å; V195-M250 HydrophobicContact CG1-CG 3.83Å; C198-M250 HydrophobicContact CB-CE 4.32Å; C198-M250 HydrophobicContact CB-SD 3.95Å; G199-M250 PolarHBondContact N-SD 3.22Å; L202-M250 HydrophobicContact CD2-SD 4.41Å; L246-M250 HydrophobicContact CD1-CE 3.95Å; L246-M250 HydrophobicContact CD1-CG 4.49Å; L246-M250 HydrophobicContact CD2-CE 4.35Å; L246-M250 HydrophobicContact CG-CE 4.07Å; L246-M250 HydrophobicContact CG-SD 4.49Å; L246-M250 WeakPolarHBondContact O-CG 3.38Å; L246-M250 PolarHBondContact O-N 3.05Å; I247-M250 PolarHBondContact O-N 3.28Å; I247-M250 VanDerWaalsContact O-N 3.13Å; M250-T252 PolarHBondContact O-N 2.85Å; M250-R258 WeakPolarHBondContact O-CD 3.46Å; M250-R258 VanDerWaalsContact O-CG 3.23Å; M250-R258 WeakPolarHBondContact O-CG 3.02Å; M250-R258 PolarHBondContact O-NE 3.07Å; M250-I259 HydrophobicContact CG-CG2 3.82Å; M250-A264 HydrophobicContact CE-CB 3.8Å |
| 251 | L | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -85.9 | 24.5 | 177.5 | -60.6 | -173.8 | 0 | 0 | 0 | 112.6 | W196 V200 P211 F212 Y229 I247 V253 | W196-L251 HydrophobicContact CD2-CD2 3.93Å; W196-L251 HydrophobicContact CE3-CD2 4.12Å; W196-L251 HydrophobicContact CG-CD2 4.41Å; W196-L251 HydrophobicContact CH2-CD2 4.49Å; W196-L251 HydrophobicContact CZ2-CD2 4.3Å; W196-L251 VanDerWaalsContact CZ3-C 3.47Å; W196-L251 HydrophobicContact CZ3-CB 4.24Å; W196-L251 HydrophobicContact CZ3-CD2 4.4Å; W196-L251 VanDerWaalsContact CZ3-O 3.26Å; W196-L251 WeakPolarHBondContact CZ3-O 3.42Å; V200-L251 HydrophobicContact CG2-CD2 3.89Å; P211-L251 HydrophobicContact CB-CD1 4.3Å; P211-L251 HydrophobicContact CG-CD1 4.24Å; F212-L251 HydrophobicContact CE2-CD1 4.27Å; F212-L251 HydrophobicContact CE2-CD2 4.18Å; F212-L251 HydrophobicContact CZ-CD1 4.25Å; Y229-L251 HydrophobicContact CD1-CB 4.35Å; Y229-L251 HydrophobicContact CD1-CD1 3.96Å; Y229-L251 HydrophobicContact CD2-CD1 4.13Å; Y229-L251 HydrophobicContact CE1-CB 3.57Å; Y229-L251 HydrophobicContact CE1-CD1 3.88Å; Y229-L251 HydrophobicContact CE1-CG 4.39Å; Y229-L251 HydrophobicContact CE2-CD1 4.04Å; Y229-L251 HydrophobicContact CG-CD1 4.1Å; I247-L251 HydrophobicContact CG2-CD1 3.65Å; I247-L251 HydrophobicContact CG2-CG 4.06Å; I247-L251 WeakPolarHBondContact O-CB 3.09Å; I247-L251 PolarHBondContact O-N 3.39Å; L251-V253 PolarHBondContact O-N 3.43Å |
| 252 | T | 98.8 | Very high | 98.6 | Very high | 33 Ų | 33 | 43.4 Ų | 43.4 | 20% | 0.202 | 24% | 0.242 | C | C | . | . | trans | -70.7 | 121.5 | 171.1 | -74.7 | 0 | 0 | 0 | 0 | 110.1 | N248 M250 S254 R257 R258 | N248-T252 PolarHBondContact O-N 3.02Å; N248-T252 PolarHBondContact O-OG1 3.27Å; M250-T252 PolarHBondContact O-N 2.85Å; T252-S254 VanDerWaalsContact C-N 3.28Å; T252-S254 PolarHBondContact O-N 2.86Å; T252-R257 HydrophobicContact CG2-CB 3.86Å; T252-R258 PolarHBondContact O-NE 3.28Å; T252-R258 PolarHBondContact O-NH2 2.91Å | ||
| 253 | V | 98.6 | Very high | 98.6 | Very high | 43 Ų | 43 | 44.6 Ų | 44.6 | 26% | 0.261 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -64.2 | -28.1 | -171.6 | 176.8 | 0 | 0 | 0 | 0 | 113.9 | P181 W196 L251 | P181-V253 HydrophobicContact CB-CG1 4.22Å; P181-V253 HydrophobicContact CG-CG1 4.27Å; W196-V253 HydrophobicContact CZ3-CG2 4.49Å; L251-V253 PolarHBondContact O-N 3.43Å |
| 254 | S | 97.9 | Very high | 98.6 | Very high | 40 Ų | 40 | 44.6 Ų | 44.6 | 28% | 0.28 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -93.2 | 114 | 177.1 | 176.6 | 0 | 0 | 0 | 0 | 109.3 | T252 A256 R257 R258 | T252-S254 VanDerWaalsContact C-N 3.28Å; T252-S254 PolarHBondContact O-N 2.86Å; S254-A256 PolarHBondContact O-N 2.87Å; S254-R257 PolarHBondContact O-N 3.38Å; S254-R258 PolarHBondContact O-N 3.46Å; S254-R258 VanDerWaalsContact O-N 3.13Å |
| 255 | P | 98 | Very high | 98.6 | Very high | 46 Ų | 46 | 44.2 Ų | 44.2 | 30% | 0.299 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -61.6 | -28.7 | -175.1 | 22.9 | -33.5 | 0 | 0 | 0 | 113.1 | E182 A192 R257 R258 | E182-P255 HydrophobicContact CB-CG 4.32Å; E182-P255 HydrophobicContact CG-CB 4.48Å; E182-P255 HydrophobicContact CG-CG 4.18Å; A192-P255 HydrophobicContact CB-CB 3.77Å; P255-R257 VanDerWaalsContact C-N 3.27Å; P255-R257 PolarHBondContact O-N 3.32Å; P255-R258 PolarHBondContact O-N 3.09Å |
| 256 | A | 97.1 | Very high | 98.6 | Very high | 98 Ų | 98 | 48.1 Ų | 48.1 | 81% | 0.81 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -73.8 | -11.3 | 176 | 0 | 0 | 0 | 0 | 0 | 114.6 | S254 | S254-A256 PolarHBondContact O-N 2.87Š|
| 257 | R | 98 | Very high | 98.6 | Very high | 194 Ų | 194 | 49 Ų | 49 | 73% | 0.732 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -112.5 | -3.3 | 173.9 | -64.4 | -171 | -67.6 | 162.1 | 0.3 | 112.9 | T252 S254 P255 | T252-R257 HydrophobicContact CG2-CB 3.86Å; S254-R257 PolarHBondContact O-N 3.38Å; P255-R257 VanDerWaalsContact C-N 3.27Å; P255-R257 PolarHBondContact O-N 3.32Å |
| 258 | R | 98.7 | Very high | 98.5 | Very high | 12 Ų | 12 | 51.6 Ų | 51.6 | 5% | 0.045 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -74.5 | 139 | 177.5 | -168.3 | 179.3 | -59.9 | 144.8 | 8.9 | 108.8 | E182 A192 L249 M250 T252 S254 P255 | E182-R258 IonicContact OE1-CZ 3.71Å; E182-R258 IonicContact OE1-NH1 3.8Å; E182-R258 PolarHBondContact OE1-NH1 3.03Å; E182-R258 IonicContact OE1-NH2 2.85Å; E182-R258 IonicContact OE2-CZ 2.88Å; E182-R258 IonicContact OE2-NH1 3.94Å; E182-R258 IonicContact OE2-NH2 3.95Å; E182-R258 PolarHBondContact OE2-NH2 2.89Å; A192-R258 WeakPolarHBondContact O-CD 3.4Å; A192-R258 PolarHBondContact O-NH1 2.9Å; L249-R258 WeakPolarHBondContact O-CG 3.39Å; M250-R258 WeakPolarHBondContact O-CD 3.46Å; M250-R258 VanDerWaalsContact O-CG 3.23Å; M250-R258 WeakPolarHBondContact O-CG 3.02Å; M250-R258 PolarHBondContact O-NE 3.07Å; T252-R258 PolarHBondContact O-NE 3.28Å; T252-R258 PolarHBondContact O-NH2 2.91Å; S254-R258 PolarHBondContact O-N 3.46Å; S254-R258 VanDerWaalsContact O-N 3.13Å; P255-R258 PolarHBondContact O-N 3.09Å |
| 259 | I | 98.8 | Very high | 98.5 | Very high | 20 Ų | 20 | 48.5 Ų | 48.5 | 10% | 0.103 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 143.8 | 177.4 | -165.3 | 167.3 | 0 | 0 | 0 | 110.8 | V195 L246 L249 M250 E263 A264 | V195-I259 HydrophobicContact CG1-CG2 4.02Å; V195-I259 WeakPolarHBondContact CG1-O 3.39Å; L246-I259 HydrophobicContact CD1-CD1 4.35Å; L249-I259 HydrophobicContact CB-CB 4Å; L249-I259 HydrophobicContact CB-CD1 4.31Å; L249-I259 HydrophobicContact CB-CG2 3.93Å; L249-I259 HydrophobicContact CD1-CD1 4.19Å; L249-I259 WeakPolarHBondContact O-CG2 3.44Å; L249-I259 PolarHBondContact O-N 2.88Å; L249-I259 VanDerWaalsContact O-N 3.1Å; M250-I259 HydrophobicContact CG-CG2 3.82Å; I259-E263 HydrophobicContact CD1-CB 3.93Å; I259-E263 HydrophobicContact CG1-CB 3.46Å; I259-E263 VanDerWaalsContact CG1-CB 3.46Å; I259-A264 HydrophobicContact CD1-CB 4.13Å; I259-A264 HydrophobicContact CG1-CB 4.37Å; I259-A264 HydrophobicContact CG2-CB 4.43Å |
| 260 | T | 98.8 | Very high | 98.5 | Very high | 70 Ų | 70 | 45.8 Ų | 45.8 | 43% | 0.429 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -82.1 | 159.7 | 171.3 | 64.8 | 0 | 0 | 0 | 0 | 111.1 | A262 E263 A264 | T260-A262 PolarHBondContact O-N 2.94Å; T260-E263 VanDerWaalsContact CB-OE2 3.32Å; T260-E263 WeakPolarHBondContact CB-OE2 3.49Å; T260-E263 WeakPolarHBondContact CG2-OE2 3.4Å; T260-E263 PolarHBondContact N-OE2 3.23Å; T260-E263 PolarHBondContact O-N 3.02Å; T260-E263 VanDerWaalsContact O-N 3.15Å; T260-E263 VanDerWaalsContact OG1-CG 3.28Å; T260-E263 WeakPolarHBondContact OG1-CG 3.29Å; T260-E263 PolarHBondContact OG1-N 3.16Å; T260-E263 PolarHBondContact OG1-OE2 3.03Å; T260-A264 WeakPolarHBondContact O-CB 3.47Å; T260-A264 PolarHBondContact O-N 2.81Å |
| 261 | A | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 3% | 0.025 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.7 | -37.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I119 V122 N123 V195 E263 A264 L265 | I119-A261 HydrophobicContact CG2-CB 3.97Å; I119-A261 VanDerWaalsContact CG2-O 3.31Å; I119-A261 WeakPolarHBondContact CG2-O 3.32Å; V122-A261 HydrophobicContact CG1-CB 4.25Å; N123-A261 HydrophobicContact CB-CB 3.73Å; V195-A261 HydrophobicContact CG2-CB 4.46Å; A261-E263 VanDerWaalsContact C-N 3.34Å; A261-E263 PolarHBondContact O-N 3.47Å; A261-A264 PolarHBondContact O-N 2.69Å; A261-L265 WeakPolarHBondContact O-CG 3.35Å; A261-L265 PolarHBondContact O-N 3.02Å; A261-L265 VanDerWaalsContact O-N 3.15Å |
| 262 | A | 98.6 | Very high | 98.4 | Very high | 37 Ų | 37 | 52.9 Ų | 52.9 | 31% | 0.306 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.4 | -30 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | N123 T260 | N123-A262 WeakPolarHBondContact OD1-CB 3.43Å; N123-A262 PolarHBondContact OD1-N 2.88Å; T260-A262 PolarHBondContact O-N 2.94Å |
| 263 | E | 98.8 | Very high | 98.3 | Very high | 98 Ų | 98 | 52.5 Ų | 52.5 | 46% | 0.458 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -82 | -38.2 | 174.2 | -70.5 | 161 | 141.2 | 0 | 0 | 111.4 | I259 T260 A261 L265 K266 H267 | I259-E263 HydrophobicContact CD1-CB 3.93Å; I259-E263 HydrophobicContact CG1-CB 3.46Å; I259-E263 VanDerWaalsContact CG1-CB 3.46Å; T260-E263 VanDerWaalsContact CB-OE2 3.32Å; T260-E263 WeakPolarHBondContact CB-OE2 3.49Å; T260-E263 WeakPolarHBondContact CG2-OE2 3.4Å; T260-E263 PolarHBondContact N-OE2 3.23Å; T260-E263 PolarHBondContact O-N 3.02Å; T260-E263 VanDerWaalsContact O-N 3.15Å; T260-E263 VanDerWaalsContact OG1-CG 3.28Å; T260-E263 WeakPolarHBondContact OG1-CG 3.29Å; T260-E263 PolarHBondContact OG1-N 3.16Å; T260-E263 PolarHBondContact OG1-OE2 3.03Å; A261-E263 VanDerWaalsContact C-N 3.34Å; A261-E263 PolarHBondContact O-N 3.47Å; E263-L265 VanDerWaalsContact C-N 3.28Å; E263-L265 PolarHBondContact O-N 2.8Å; E263-K266 CarbonylContact O-C 3.36Å; E263-K266 WeakPolarHBondContact O-CA 3.41Å; E263-K266 WeakPolarHBondContact O-CB 3.34Å; E263-K266 PolarHBondContact O-N 2.96Å; E263-H267 PolarHBondContact O-N 2.72Å |
| 264 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.2 | -36.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I119 L246 M250 I259 T260 A261 K266 H267 | I119-A264 HydrophobicContact CD1-CB 4.31Å; I119-A264 HydrophobicContact CG2-CB 4.07Å; L246-A264 HydrophobicContact CD1-CB 4.21Å; M250-A264 HydrophobicContact CE-CB 3.8Å; I259-A264 HydrophobicContact CD1-CB 4.13Å; I259-A264 HydrophobicContact CG1-CB 4.37Å; I259-A264 HydrophobicContact CG2-CB 4.43Å; T260-A264 WeakPolarHBondContact O-CB 3.47Å; T260-A264 PolarHBondContact O-N 2.81Å; A261-A264 PolarHBondContact O-N 2.69Å; A264-K266 PolarHBondContact O-N 2.74Å; A264-H267 VanDerWaalsContact O-CB 3.27Å; A264-H267 WeakPolarHBondContact O-CB 3.29Å; A264-H267 PolarHBondContact O-N 2.71Å; A264-H267 VanDerWaalsContact O-N 3.13Å |
| 265 | L | 98.7 | Very high | 98 | Very high | 36 Ų | 36 | 65.9 Ų | 65.9 | 19% | 0.188 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -21.5 | 172.1 | -68.7 | 173.2 | 0 | 0 | 0 | 114.1 | Q116 I119 E120 N123 A261 E263 | Q116-L265 HydrophobicContact CG-CD2 4.37Å; I119-L265 HydrophobicContact CB-CD2 3.78Å; I119-L265 HydrophobicContact CB-CG 4.3Å; I119-L265 HydrophobicContact CG2-CD1 4.39Å; I119-L265 HydrophobicContact CG2-CD2 3.71Å; I119-L265 HydrophobicContact CG2-CG 3.65Å; E120-L265 HydrophobicContact CG-CD1 4.1Å; E120-L265 HydrophobicContact CG-CD2 3.7Å; N123-L265 HydrophobicContact CB-CD1 4.08Å; A261-L265 WeakPolarHBondContact O-CG 3.35Å; A261-L265 PolarHBondContact O-N 3.02Å; A261-L265 VanDerWaalsContact O-N 3.15Å; E263-L265 VanDerWaalsContact C-N 3.28Å; E263-L265 PolarHBondContact O-N 2.8Å |
| 266 | K | 98.6 | Very high | 97.9 | Very high | 155 Ų | 155 | 65 Ų | 65 | 67% | 0.674 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -5 | 177.4 | -60.4 | 173 | -172.8 | 173.5 | 0 | 112.6 | E263 A264 C271 | E263-K266 CarbonylContact O-C 3.36Å; E263-K266 WeakPolarHBondContact O-CA 3.41Å; E263-K266 WeakPolarHBondContact O-CB 3.34Å; E263-K266 PolarHBondContact O-N 2.96Å; A264-K266 PolarHBondContact O-N 2.74Å; K266-C271 PolarHBondContact O-SG 3.17Å |
| 267 | H | 98.7 | Very high | 97.9 | Very high | 18 Ų | 18 | 60.7 Ų | 60.7 | 8% | 0.083 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -65.5 | 136.8 | 180 | -170.3 | -82.1 | 0 | 0 | 0 | 110.7 | E242 N245 L246 E263 A264 W269 I270 C271 | E242-H267 WeakPolarHBondContact CA-CE1 3.35Å; E242-H267 WeakPolarHBondContact CB-CE1 3.48Å; E242-H267 PolarHBondContact O-CE1 3.05Å; N245-H267 WeakPolarHBondContact CB-NE2 3.02Å; N245-H267 PolarHBondContact OD1-NE2 2.82Å; L246-H267 HydrophobicContact CD1-CB 3.93Å; E263-H267 PolarHBondContact O-N 2.72Å; A264-H267 VanDerWaalsContact O-CB 3.27Å; A264-H267 WeakPolarHBondContact O-CB 3.29Å; A264-H267 PolarHBondContact O-N 2.71Å; A264-H267 VanDerWaalsContact O-N 3.13Å; H267-W269 PolarHBondContact ND1-N 3.19Å; H267-W269 VanDerWaalsContact ND1-N 3.2Å; H267-W269 PolarHBondContact O-N 2.99Å; H267-W269 VanDerWaalsContact O-N 3.13Å; H267-I270 PolarHBondContact O-N 3.32Å; H267-C271 PolarHBondContact O-N 2.77Å; H267-C271 PolarHBondContact O-SG 3.28Å; H267-C271 VanDerWaalsContact O-SG 3.33Å |
| 268 | P | 98.4 | Very high | 97.8 | Very high | 54 Ų | 54 | 52.7 Ų | 52.7 | 35% | 0.351 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -53.3 | -35.8 | -175.4 | -29.5 | 36 | 0 | 0 | 0 | 114.9 | I270 Q272 V276 | P268-I270 PolarHBondContact O-N 2.95Å; P268-Q272 CarbonylContact O-C 3.56Å; P268-Q272 WeakPolarHBondContact O-CA 3.46Å; P268-Q272 WeakPolarHBondContact O-CB 3.37Å; P268-Q272 PolarHBondContact O-N 2.84Å; P268-V276 HydrophobicContact CB-CG2 4.21Å |
| 269 | W | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66 | -22.5 | 178.8 | -169.6 | 82.8 | 0 | 0 | 0 | 113.3 | E108 A111 S112 M115 L202 L206 T240 E242 A243 L246 H267 V276 | E108-W269 HydrophobicContact CB-CZ2 4.05Å; E108-W269 WeakPolarHBondContact O-CZ2 3.3Å; E108-W269 PolarHBondContact OE2-NE1 3.33Å; A111-W269 HydrophobicContact CB-CH2 4.17Å; S112-W269 VanDerWaalsContact CA-CH2 3.4Å; S112-W269 VanDerWaalsContact CA-CZ3 3.45Å; S112-W269 VanDerWaalsContact CB-CH2 3.44Å; S112-W269 VanDerWaalsContact CB-CZ3 3.47Å; S112-W269 PolarHBondContact OG-O 3.47Å; M115-W269 HydrophobicContact CB-CZ3 4.47Å; L202-W269 HydrophobicContact CD1-CH2 3.32Å; L202-W269 HydrophobicContact CD1-CZ2 4.29Å; L202-W269 HydrophobicContact CD1-CZ3 3.48Å; L202-W269 VanDerWaalsContact CD1-CZ3 3.48Å; L202-W269 HydrophobicContact CD2-CZ3 4.25Å; L206-W269 HydrophobicContact CD2-CH2 4.14Å; L206-W269 HydrophobicContact CD2-CZ2 3.86Å; T240-W269 PolarHBondContact OG1-NE1 3.35Å; E242-W269 HydrophobicContact CB-CB 4.01Å; E242-W269 HydrophobicContact CB-CG 4.49Å; A243-W269 HydrophobicContact CB-CD2 4.28Å; A243-W269 HydrophobicContact CB-CG 4.35Å; A243-W269 HydrophobicContact CB-CZ2 4.21Å; L246-W269 HydrophobicContact CD2-CE3 3.78Å; L246-W269 HydrophobicContact CD2-CZ3 4.35Å; H267-W269 PolarHBondContact ND1-N 3.19Å; H267-W269 VanDerWaalsContact ND1-N 3.2Å; H267-W269 PolarHBondContact O-N 2.99Å; H267-W269 VanDerWaalsContact O-N 3.13Å; W269-V276 HydrophobicContact CB-CG1 4.29Å |
| 270 | I | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -92.9 | -56 | 173.5 | -62 | -65 | 0 | 0 | 0 | 110.9 | M115 Q116 I119 L246 H267 P268 R273 | M115-I270 HydrophobicContact CB-CD1 4.14Å; Q116-I270 HydrophobicContact CB-CG2 3.97Å; Q116-I270 HydrophobicContact CG-CG2 4.13Å; I119-I270 HydrophobicContact CD1-CD1 4.12Å; I119-I270 HydrophobicContact CD1-CG1 4.39Å; L246-I270 HydrophobicContact CD2-CD1 4.07Å; L246-I270 HydrophobicContact CD2-CG1 3.75Å; H267-I270 PolarHBondContact O-N 3.32Å; P268-I270 PolarHBondContact O-N 2.95Å; I270-R273 PolarHBondContact O-NH2 2.93Å |
| 271 | C | 97.5 | Very high | 97.1 | Very high | 65 Ų | 65 | 60.8 Ų | 60.8 | 44% | 0.439 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -84.7 | -9.8 | -168.5 | 72.4 | 0 | 0 | 0 | 0 | 114.8 | K266 H267 | K266-C271 PolarHBondContact O-SG 3.17Å; H267-C271 PolarHBondContact O-N 2.77Å; H267-C271 PolarHBondContact O-SG 3.28Å; H267-C271 VanDerWaalsContact O-SG 3.33Å |
| 272 | Q | 97.3 | Very high | 96.9 | Very high | 87 Ų | 87 | 61.2 Ų | 61.2 | 41% | 0.407 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.8 | 35.3 | 177 | -56.5 | -179.3 | 19.7 | 0 | 0 | 110.9 | P268 E274 R275 V276 | P268-Q272 CarbonylContact O-C 3.56Å; P268-Q272 WeakPolarHBondContact O-CA 3.46Å; P268-Q272 WeakPolarHBondContact O-CB 3.37Å; P268-Q272 PolarHBondContact O-N 2.84Å; Q272-E274 PolarHBondContact O-N 3.25Å; Q272-E274 VanDerWaalsContact O-N 3.07Å; Q272-R275 PolarHBondContact O-N 2.88Å; Q272-V276 HydrophobicContact CB-CG2 4Å; Q272-V276 PolarHBondContact O-N 3.08Å |
| 273 | R | 96.8 | Very high | 96.6 | Very high | 26 Ų | 26 | 63.4 Ų | 63.4 | 10% | 0.098 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -46.6 | -39.9 | -174.7 | 62.7 | -179.9 | 56.7 | -80.8 | -8.8 | 114.1 | A109 S112 I270 R275 V276 A277 | A109-R273 PolarHBondContact O-NH1 3.42Å; S112-R273 PolarHBondContact O-NH1 3.42Å; S112-R273 PolarHBondContact O-NH2 3.14Å; S112-R273 PolarHBondContact OG-NH1 3.29Å; S112-R273 PolarHBondContact OG-NH2 3.24Å; I270-R273 PolarHBondContact O-NH2 2.93Å; R273-R275 PolarHBondContact O-N 3.22Å; R273-V276 PolarHBondContact O-N 3.13Å; R273-A277 WeakPolarHBondContact O-CB 3.28Å; R273-A277 PolarHBondContact O-N 3.2Å |
| 274 | E | 95.1 | Very high | 96.2 | Very high | 147 Ų | 147 | 64.5 Ų | 64.5 | 69% | 0.687 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -69.6 | -16.1 | -176.7 | -56.6 | 77.3 | -167.8 | 0 | 0 | 113.1 | Q272 | Q272-E274 PolarHBondContact O-N 3.25Å; Q272-E274 VanDerWaalsContact O-N 3.07Å |
| 275 | R | 96.3 | Very high | 95.9 | Very high | 217 Ų | 217 | 64.5 Ų | 64.5 | 82% | 0.819 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -109 | -29.9 | 179.2 | -61.7 | -179.1 | 179.3 | -177 | -1 | 113.1 | Q272 R273 | Q272-R275 PolarHBondContact O-N 2.88Å; R273-R275 PolarHBondContact O-N 3.22Å |
| 276 | V | 96 | Very high | 95.5 | Very high | 26 Ų | 26 | 63.4 Ų | 63.4 | 16% | 0.158 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -108.1 | -40.1 | -167.1 | 179.5 | 0 | 0 | 0 | 0 | 112.5 | T240 E242 P268 W269 Q272 R273 | T240-V276 WeakPolarHBondContact CG2-O 3.32Å; E242-V276 HydrophobicContact CB-CG1 3.51Å; E242-V276 HydrophobicContact CG-CG1 3.52Å; P268-V276 HydrophobicContact CB-CG2 4.21Å; W269-V276 HydrophobicContact CB-CG1 4.29Å; Q272-V276 HydrophobicContact CB-CG2 4Å; Q272-V276 PolarHBondContact O-N 3.08Å; R273-V276 PolarHBondContact O-N 3.13Å |
| 277 | A | 95.7 | Very high | 95.1 | Very high | 9 Ų | 9 | 60.5 Ų | 60.5 | 7% | 0.074 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -83.1 | 135.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111 | E108 A109 R273 L279 | E108-A277 HydrophobicContact CB-CB 4.06Å; A109-A277 HydrophobicContact CB-CB 4.26Å; R273-A277 WeakPolarHBondContact O-CB 3.28Å; R273-A277 PolarHBondContact O-N 3.2Å; A277-L279 PolarHBondContact O-N 3.49Å |
| 278 | S | 95.5 | Very high | 94.6 | Very high | 25 Ų | 25 | 61.5 Ų | 61.5 | 18% | 0.175 | 31% | 0.307 | C | S | . | . | trans | -62.5 | 130.2 | 178.5 | -174.8 | 0 | 0 | 0 | 0 | 112.6 | S107 E108 A109 V280 | S107-S278 WeakPolarHBondContact CB-O 3.49Å; E108-S278 WeakPolarHBondContact CB-O 3.15Å; E108-S278 PolarHBondContact N-O 3.26Å; E108-S278 WeakPolarHBondContact OE1-CB 3.03Å; A109-S278 PolarHBondContact N-O 3.32Å; S278-V280 VanDerWaalsContact C-N 3.31Å; S278-V280 WeakPolarHBondContact OG-CB 3.15Å; S278-V280 WeakPolarHBondContact OG-CG2 3.39Å; S278-V280 PolarHBondContact OG-N 3.18Å | ||
| 279 | L | 94.6 | Very high | 94.2 | Very high | 122 Ų | 122 | 58.9 Ų | 58.9 | 64% | 0.639 | 29% | 0.291 | S | S | * | . | trans | -87.2 | 5 | 170.7 | -65.5 | 176 | 0 | 0 | 0 | 112.8 | F105 A109 A277 | F105-L279 VanDerWaalsContact CZ-O 3.27Å; F105-L279 WeakPolarHBondContact CZ-O 3.13Å; A109-L279 HydrophobicContact CB-CD2 3.64Å; A277-L279 PolarHBondContact O-N 3.49Å | ||
| 280 | V | 93.9 | Very high | 93.7 | Very high | 93 Ų | 93 | 65.5 Ų | 65.5 | 56% | 0.564 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -71 | 135.7 | 178.8 | 179.3 | 0 | 0 | 0 | 0 | 110 | S278 | S278-V280 VanDerWaalsContact C-N 3.31Å; S278-V280 WeakPolarHBondContact OG-CB 3.15Å; S278-V280 WeakPolarHBondContact OG-CG2 3.39Å; S278-V280 PolarHBondContact OG-N 3.18Å |
| 281 | H | 94.8 | Very high | 92.9 | Very high | 57 Ų | 57 | 72.5 Ų | 72.5 | 26% | 0.264 | 35% | 0.35 | S | S | . | . | trans | -69.3 | 133.1 | 174.2 | -176.9 | 32.2 | 0 | 0 | 0 | 111.3 | E104 F105 Y106 Q283 | E104-H281 PolarHBondContact O-NE2 3.47Å; F105-H281 HydrophobicContact CD2-CB 3.87Å; F105-H281 HydrophobicContact CE2-CB 3.67Å; F105-H281 HydrophobicContact CZ-CB 4.24Å; Y106-H281 PolarHBondContact N-ND1 3.2Å; Y106-H281 VanDerWaalsContact N-ND1 3.11Å; Y106-H281 WeakPolarHBondContact O-CA 3.45Å; Y106-H281 PolarHBondContact O-ND1 2.72Å; H281-Q283 PolarHBondContact NE2-OE1 2.92Å | ||
| 282 | R | 93.9 | Very high | 92.3 | Very high | 13 Ų | 13 | 71 Ų | 71 | 5% | 0.049 | 34% | 0.336 | C | S | . | . | trans | -110.2 | 76 | -177.8 | -53.7 | -177.4 | 61.6 | 70.2 | 6.2 | 111.3 | Y106 L206 E235 T238 V239 E284 T285 V286 | Y106-R282 PolarHBondContact O-N 3.4Å; L206-R282 PolarHBondContact O-NE 3.27Å; L206-R282 PolarHBondContact O-NH2 2.91Å; L206-R282 VanDerWaalsContact O-NH2 3.13Å; E235-R282 PolarHBondContact O-NH2 3.3Å; T238-R282 PolarHBondContact OG1-NH1 2.84Å; V239-R282 VanDerWaalsContact CG2-NH2 3.29Å; R282-E284 PolarHBondContact O-N 3.15Å; R282-T285 PolarHBondContact NE-OG1 2.65Å; R282-T285 WeakPolarHBondContact O-CB 3.49Å; R282-T285 PolarHBondContact O-N 3.42Å; R282-V286 PolarHBondContact O-N 3.41Å | ||
| 283 | Q | 91.5 | Very high | 91.4 | Very high | 82 Ų | 82 | 67 Ų | 67 | 38% | 0.383 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.6 | -42.7 | -177.2 | 175.7 | 58.7 | 28.4 | 0 | 0 | 112.2 | H281 T285 V286 E287 | H281-Q283 PolarHBondContact NE2-OE1 2.92Å; Q283-T285 PolarHBondContact O-N 3.44Å; Q283-V286 WeakPolarHBondContact O-CB 3.36Å; Q283-V286 PolarHBondContact O-N 2.77Å; Q283-V286 VanDerWaalsContact O-N 3.08Å; Q283-E287 PolarHBondContact NE2-OE1 2.67Å; Q283-E287 PolarHBondContact O-N 3.25Å |
| 284 | E | 91.5 | Very high | 90.3 | Very high | 121 Ų | 121 | 68.8 Ų | 68.8 | 57% | 0.565 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -62 | -33.4 | 179.5 | -59.5 | 75.8 | -169.1 | 0 | 0 | 111.7 | R282 E287 C288 | R282-E284 PolarHBondContact O-N 3.15Å; E284-E287 PolarHBondContact O-N 3.08Å; E284-C288 WeakPolarHBondContact O-CB 3.48Å; E284-C288 PolarHBondContact O-N 3.26Å; E284-C288 PolarHBondContact O-SG 3.3Å |
| 285 | T | 92.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.9 | -43.5 | 174.9 | -62 | 0 | 0 | 0 | 0 | 111 | Y106 L206 R282 Q283 E287 C288 L289 | Y106-T285 HydrophobicContact CD1-CG2 4.4Å; Y106-T285 HydrophobicContact CE1-CG2 4.15Å; L206-T285 WeakPolarHBondContact O-CG2 3.32Å; L206-T285 PolarHBondContact O-OG1 2.94Å; R282-T285 PolarHBondContact NE-OG1 2.65Å; R282-T285 WeakPolarHBondContact O-CB 3.49Å; R282-T285 PolarHBondContact O-N 3.42Å; Q283-T285 PolarHBondContact O-N 3.44Å; T285-E287 PolarHBondContact O-N 2.97Å; T285-C288 PolarHBondContact O-N 3.36Å; T285-L289 VanDerWaalsContact O-CB 3.25Å; T285-L289 WeakPolarHBondContact O-CB 3.47Å; T285-L289 PolarHBondContact O-N 2.98Å |
| 286 | V | 90.9 | Very high | 88.6 | Confident | 13 Ų | 13 | 57.9 Ų | 57.9 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 176.7 | 172 | 0 | 0 | 0 | 0 | 111.1 | Y106 R282 Q283 L289 K290 | Y106-V286 HydrophobicContact CD1-CG2 4.34Å; R282-V286 PolarHBondContact O-N 3.41Å; Q283-V286 WeakPolarHBondContact O-CB 3.36Å; Q283-V286 PolarHBondContact O-N 2.77Å; Q283-V286 VanDerWaalsContact O-N 3.08Å; V286-L289 PolarHBondContact O-N 3.43Å; V286-K290 PolarHBondContact O-N 2.67Å |
| 287 | E | 89.4 | Confident | 87.5 | Confident | 95 Ų | 95 | 60.6 Ų | 60.6 | 44% | 0.444 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.8 | -41 | 178.1 | -69.4 | -178.7 | -163.9 | 0 | 0 | 113.3 | Q283 E284 T285 K290 K291 | Q283-E287 PolarHBondContact NE2-OE1 2.67Å; Q283-E287 PolarHBondContact O-N 3.25Å; E284-E287 PolarHBondContact O-N 3.08Å; T285-E287 PolarHBondContact O-N 2.97Å; E287-K290 PolarHBondContact O-N 2.88Å; E287-K291 PolarHBondContact O-N 2.91Å |
| 288 | C | 89.1 | Confident | 86 | Confident | 38 Ų | 38 | 62.4 Ų | 62.4 | 26% | 0.257 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 173.6 | -70.2 | 0 | 0 | 0 | 0 | 111.2 | V207 G208 E284 T285 K290 K291 F292 | V207-C288 WeakPolarHBondContact O-CB 3.49Å; G208-C288 CarbonylContact O-C 3.59Å; E284-C288 WeakPolarHBondContact O-CB 3.48Å; E284-C288 PolarHBondContact O-N 3.26Å; E284-C288 PolarHBondContact O-SG 3.3Å; T285-C288 PolarHBondContact O-N 3.36Å; C288-K290 VanDerWaalsContact C-N 3.3Å; C288-K290 PolarHBondContact O-N 2.9Å; C288-K291 WeakPolarHBondContact O-CB 3.34Å; C288-K291 PolarHBondContact O-N 2.91Å; C288-K291 VanDerWaalsContact O-N 3.14Å; C288-F292 WeakPolarHBondContact O-CB 3.29Å; C288-F292 PolarHBondContact O-N 3.1Å |
| 289 | L | 89 | Confident | 84.5 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.4 | -36.7 | 178.5 | -162.5 | 70.2 | 0 | 0 | 0 | 112 | F97 I100 V101 I204 T285 V286 F292 N293 | F97-L289 HydrophobicContact CD1-CD1 3.6Å; F97-L289 HydrophobicContact CD1-CG 4.37Å; F97-L289 HydrophobicContact CE1-CD1 3.88Å; I100-L289 HydrophobicContact CB-CD2 3.81Å; I100-L289 HydrophobicContact CD1-CD2 4.49Å; I100-L289 HydrophobicContact CG2-CD2 3.46Å; I100-L289 VanDerWaalsContact CG2-CD2 3.46Å; V101-L289 HydrophobicContact CG2-CB 3.93Å; V101-L289 HydrophobicContact CG2-CD2 3.96Å; V101-L289 HydrophobicContact CG2-CG 3.95Å; I204-L289 HydrophobicContact CG2-CD1 3.8Å; T285-L289 VanDerWaalsContact O-CB 3.25Å; T285-L289 WeakPolarHBondContact O-CB 3.47Å; T285-L289 PolarHBondContact O-N 2.98Å; V286-L289 PolarHBondContact O-N 3.43Å; L289-F292 HydrophobicContact CD1-CD1 4.23Å; L289-F292 PolarHBondContact O-N 2.9Å; L289-N293 WeakPolarHBondContact O-CB 3.41Å; L289-N293 PolarHBondContact O-N 2.96Å; L289-N293 PolarHBondContact O-ND2 2.92Å |
| 290 | K | 87.3 | Confident | 82.7 | Confident | 139 Ų | 139 | 61.8 Ų | 61.8 | 60% | 0.604 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -59.6 | -46.2 | 172.9 | -173.1 | 173.2 | -179.3 | 177.8 | 0 | 112.2 | V101 V286 E287 C288 A294 | V101-K290 HydrophobicContact CG1-CB 3.71Å; V101-K290 HydrophobicContact CG1-CD 4.08Å; V101-K290 HydrophobicContact CG1-CG 3.83Å; V101-K290 HydrophobicContact CG2-CB 4.21Å; V286-K290 PolarHBondContact O-N 2.67Å; E287-K290 PolarHBondContact O-N 2.88Å; C288-K290 VanDerWaalsContact C-N 3.3Å; C288-K290 PolarHBondContact O-N 2.9Å; K290-A294 PolarHBondContact O-N 2.84Å |
| 291 | K | 83 | Confident | 80.9 | Confident | 147 Ų | 147 | 59.9 Ų | 59.9 | 64% | 0.639 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -64.9 | -43.1 | 176.2 | -66.3 | 170.1 | -176.4 | 168 | 0 | 111.3 | E287 C288 A294 R295 | E287-K291 PolarHBondContact O-N 2.91Å; C288-K291 WeakPolarHBondContact O-CB 3.34Å; C288-K291 PolarHBondContact O-N 2.91Å; C288-K291 VanDerWaalsContact O-N 3.14Å; K291-A294 PolarHBondContact O-N 2.79Å; K291-R295 WeakPolarHBondContact O-CB 3.5Å; K291-R295 PolarHBondContact O-N 3.23Å; K291-R295 VanDerWaalsContact O-N 3.09Å |
| 292 | F | 83.7 | Confident | 78.9 | Confident | 33 Ų | 33 | 59.4 Ų | 59.4 | 15% | 0.145 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.5 | -48.5 | 176.8 | 171.6 | -96.4 | 0 | 0 | 0 | 112.2 | F97 P137 I204 G208 P210 C288 L289 R295 R296 | F97-F292 HydrophobicContact CD1-CD1 4.32Å; F97-F292 AromaticContact CD1-CE1 3.97Å; F97-F292 HydrophobicContact CD1-CE1 3.97Å; F97-F292 HydrophobicContact CE1-CE1 4.03Å; P137-F292 HydrophobicContact CG-CE1 4.07Å; P137-F292 HydrophobicContact CG-CZ 4.29Å; I204-F292 HydrophobicContact CD1-CE2 4.34Å; I204-F292 HydrophobicContact CD1-CZ 3.93Å; I204-F292 HydrophobicContact CG2-CD1 4.16Å; I204-F292 HydrophobicContact CG2-CE1 3.99Å; I204-F292 HydrophobicContact CG2-CE2 4.45Å; I204-F292 HydrophobicContact CG2-CG 4.46Å; I204-F292 HydrophobicContact CG2-CZ 4.15Å; G208-F292 WeakPolarHBondContact O-CB 3.44Å; P210-F292 HydrophobicContact CG-CE2 4.39Å; C288-F292 WeakPolarHBondContact O-CB 3.29Å; C288-F292 PolarHBondContact O-N 3.1Å; L289-F292 HydrophobicContact CD1-CD1 4.23Å; L289-F292 PolarHBondContact O-N 2.9Å; F292-R295 PolarHBondContact O-N 3.18Å; F292-R296 VanDerWaalsContact O-CB 3.22Å; F292-R296 WeakPolarHBondContact O-CB 3.23Å; F292-R296 PolarHBondContact O-N 3.24Å |
| 293 | N | 78.8 | Confident | 76.8 | Confident | 4 Ų | 4 | 63.3 Ų | 63.3 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.1 | -47.2 | 178 | -83.9 | -22.4 | 0 | 0 | 0 | 112.9 | F97 E98 L289 R295 R296 K297 | F97-N293 WeakPolarHBondContact CB-OD1 3.38Å; F97-N293 PolarHBondContact O-ND2 2.91Å; E98-N293 WeakPolarHBondContact OE1-CB 3.4Å; E98-N293 PolarHBondContact OE1-ND2 3.21Å; L289-N293 WeakPolarHBondContact O-CB 3.41Å; L289-N293 PolarHBondContact O-N 2.96Å; L289-N293 PolarHBondContact O-ND2 2.92Å; N293-R295 PolarHBondContact O-N 2.73Å; N293-R296 PolarHBondContact O-N 2.76Å; N293-R296 PolarHBondContact OD1-NE 3.43Å; N293-R296 PolarHBondContact OD1-NH2 2.89Å; N293-K297 WeakPolarHBondContact O-CB 3.5Å; N293-K297 WeakPolarHBondContact O-CG 3.45Å; N293-K297 PolarHBondContact O-N 3.36Å |
| 294 | A | 74.4 | Confident | 74.8 | Confident | 63 Ų | 63 | 62.7 Ų | 62.7 | 52% | 0.521 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.2 | -47.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K290 K291 R296 L298 | K290-A294 PolarHBondContact O-N 2.84Å; K291-A294 PolarHBondContact O-N 2.79Å; A294-R296 PolarHBondContact O-N 3Å; A294-L298 WeakPolarHBondContact O-CB 3.45Å; A294-L298 PolarHBondContact O-N 2.9Å; A294-L298 VanDerWaalsContact O-N 3.07Å |
| 295 | R | 74.9 | Confident | 72.6 | Confident | 111 Ų | 111 | 58.4 Ų | 58.4 | 42% | 0.419 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 177.3 | -167.9 | -179.4 | -163.3 | -168.9 | 6.7 | 112.3 | E215 K291 F292 N293 K299 | E215-R295 IonicContact OE1-NH2 2.79Å; K291-R295 WeakPolarHBondContact O-CB 3.5Å; K291-R295 PolarHBondContact O-N 3.23Å; K291-R295 VanDerWaalsContact O-N 3.09Å; F292-R295 PolarHBondContact O-N 3.18Å; N293-R295 PolarHBondContact O-N 2.73Å; R295-K299 WeakPolarHBondContact O-CG 2.97Å; R295-K299 PolarHBondContact O-N 2.97Å; R295-K299 VanDerWaalsContact O-N 3.09Å |
| 296 | R | 80.4 | Confident | 70.1 | Confident | 24 Ų | 24 | 62.6 Ų | 62.6 | 9% | 0.091 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.3 | -50.6 | -179.6 | -179.3 | 178.7 | 64.3 | 77.3 | -2.7 | 111.5 | E95 E98 E138 F292 N293 A294 L298 K299 G300 | E95-R296 IonicContact OE2-CZ 2.96Å; E95-R296 VanDerWaalsContact OE2-CZ 3.22Å; E95-R296 IonicContact OE2-NH1 3.83Å; E95-R296 PolarHBondContact OE2-NH1 3.01Å; E95-R296 IonicContact OE2-NH2 3.34Å; E95-R296 PolarHBondContact OE2-NH2 3.31Å; E98-R296 IonicContact OE1-NH2 3.96Å; E138-R296 WeakPolarHBondContact OE1-CD 3.42Å; E138-R296 WeakPolarHBondContact OE1-CG 3.4Å; E138-R296 IonicContact OE1-CZ 2.71Å; E138-R296 IonicContact OE1-NE 2.74Å; E138-R296 IonicContact OE1-NH1 2.8Å; E138-R296 PolarHBondContact OE1-NH1 3.23Å; E138-R296 IonicContact OE2-NH1 3.23Å; F292-R296 VanDerWaalsContact O-CB 3.22Å; F292-R296 WeakPolarHBondContact O-CB 3.23Å; F292-R296 PolarHBondContact O-N 3.24Å; N293-R296 PolarHBondContact O-N 2.76Å; N293-R296 PolarHBondContact OD1-NE 3.43Å; N293-R296 PolarHBondContact OD1-NH2 2.89Å; A294-R296 PolarHBondContact O-N 3Å; R296-L298 PolarHBondContact O-N 3.13Å; R296-K299 PolarHBondContact O-N 3.01Å; R296-G300 PolarHBondContact O-N 3.47Å |
| 297 | K | 72.1 | Confident | 67.7 | Low | 83 Ų | 83 | 66.3 Ų | 66.3 | 36% | 0.361 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.1 | -42.2 | 177.1 | -75.2 | -177.1 | 170.6 | -175.8 | 0 | 112.4 | E95 E98 N293 G300 A301 | E95-K297 WeakPolarHBondContact OE1-CE 3.13Å; E95-K297 IonicContact OE1-NZ 2.73Å; E95-K297 PolarHBondContact OE1-NZ 3.37Å; E98-K297 VanDerWaalsContact CD-CE 3.42Å; E98-K297 WeakPolarHBondContact OE1-CE 3.49Å; E98-K297 IonicContact OE1-NZ 2.81Å; E98-K297 PolarHBondContact OE1-NZ 3.4Å; E98-K297 IonicContact OE2-NZ 3.64Å; E98-K297 PolarHBondContact OE2-NZ 3.36Å; N293-K297 WeakPolarHBondContact O-CB 3.5Å; N293-K297 WeakPolarHBondContact O-CG 3.45Å; N293-K297 PolarHBondContact O-N 3.36Å; K297-G300 PolarHBondContact O-N 3.05Å; K297-A301 WeakPolarHBondContact O-CB 3.43Å; K297-A301 PolarHBondContact O-N 3.2Å |
| 298 | L | 65.6 | Low | 65.3 | Low | 47 Ų | 47 | 63.5 Ų | 63.5 | 25% | 0.246 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.3 | -48.4 | 175.5 | -177.8 | 57.3 | 0 | 0 | 0 | 111.8 | A294 R296 G300 A301 I302 | A294-L298 WeakPolarHBondContact O-CB 3.45Å; A294-L298 PolarHBondContact O-N 2.9Å; A294-L298 VanDerWaalsContact O-N 3.07Å; R296-L298 PolarHBondContact O-N 3.13Å; L298-G300 PolarHBondContact O-N 3.19Å; L298-A301 PolarHBondContact O-N 2.99Å; L298-I302 HydrophobicContact CD1-CD1 4.15Å; L298-I302 HydrophobicContact CG-CD1 4.15Å; L298-I302 VanDerWaalsContact O-CG1 3.3Å; L298-I302 WeakPolarHBondContact O-CG1 3.45Å; L298-I302 PolarHBondContact O-N 3.5Å |
| 299 | K | 63.9 | Low | 62.9 | Low | 107 Ų | 107 | 62.7 Ų | 62.7 | 47% | 0.465 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 174.7 | -75.8 | -172.4 | 173.7 | -167.1 | 0 | 112.4 | R295 R296 I302 L303 | R295-K299 WeakPolarHBondContact O-CG 2.97Å; R295-K299 PolarHBondContact O-N 2.97Å; R295-K299 VanDerWaalsContact O-N 3.09Å; R296-K299 PolarHBondContact O-N 3.01Å; K299-I302 PolarHBondContact O-N 2.9Å; K299-L303 WeakPolarHBondContact O-CB 3.4Å; K299-L303 WeakPolarHBondContact O-CG 3.24Å; K299-L303 PolarHBondContact O-N 3.26Å |
| 300 | G | 56.7 | Low | 60.4 | Low | 28 Ų | 28 | 69.1 Ų | 69.1 | 29% | 0.289 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R296 K297 L298 L303 T304 | R296-G300 PolarHBondContact O-N 3.47Å; K297-G300 PolarHBondContact O-N 3.05Å; L298-G300 PolarHBondContact O-N 3.19Å; G300-L303 PolarHBondContact O-N 2.96Å; G300-T304 WeakPolarHBondContact O-CB 3.04Å; G300-T304 PolarHBondContact O-N 3.45Å; G300-T304 PolarHBondContact O-OG1 3.26Å |
| 301 | A | 56.5 | Low | 57.8 | Low | 53 Ų | 53 | 64.8 Ų | 64.8 | 44% | 0.438 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.1 | -46 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | K297 L298 T304 T305 | K297-A301 WeakPolarHBondContact O-CB 3.43Å; K297-A301 PolarHBondContact O-N 3.2Å; L298-A301 PolarHBondContact O-N 2.99Å; A301-T304 PolarHBondContact O-N 3.42Å; A301-T305 WeakPolarHBondContact O-CB 3.03Å; A301-T305 PolarHBondContact O-N 3.21Å; A301-T305 PolarHBondContact O-OG1 3.13Å |
| 302 | I | 51.9 | Low | 55.3 | Low | 46 Ų | 46 | 63.5 Ų | 63.5 | 24% | 0.236 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.8 | -46.3 | 176.8 | -64.7 | 163.9 | 0 | 0 | 0 | 110.7 | L298 K299 T305 M306 | L298-I302 HydrophobicContact CD1-CD1 4.15Å; L298-I302 HydrophobicContact CG-CD1 4.15Å; L298-I302 VanDerWaalsContact O-CG1 3.3Å; L298-I302 WeakPolarHBondContact O-CG1 3.45Å; L298-I302 PolarHBondContact O-N 3.5Å; K299-I302 PolarHBondContact O-N 2.9Å; I302-T305 WeakPolarHBondContact O-CB 3.42Å; I302-T305 PolarHBondContact O-N 2.88Å; I302-M306 HydrophobicContact CG2-CE 4.13Å; I302-M306 HydrophobicContact CG2-SD 4.45Å; I302-M306 WeakPolarHBondContact O-CG 3.48Å; I302-M306 PolarHBondContact O-N 2.88Å |
| 303 | L | 49.5 | Very low | 52.9 | Low | 96 Ų | 96 | 63.5 Ų | 63.5 | 50% | 0.503 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 177.4 | -79.3 | 161.4 | 0 | 0 | 0 | 112.9 | K299 G300 T305 M306 L307 | K299-L303 WeakPolarHBondContact O-CB 3.4Å; K299-L303 WeakPolarHBondContact O-CG 3.24Å; K299-L303 PolarHBondContact O-N 3.26Å; G300-L303 PolarHBondContact O-N 2.96Å; L303-T305 VanDerWaalsContact C-N 3.27Å; L303-T305 PolarHBondContact O-N 2.73Å; L303-M306 HydrophobicContact CD2-CE 3.71Å; L303-M306 HydrophobicContact CG-CE 4.19Å; L303-M306 PolarHBondContact O-N 2.81Å; L303-L307 WeakPolarHBondContact O-CB 3.27Å; L303-L307 WeakPolarHBondContact O-CG 3.05Å; L303-L307 PolarHBondContact O-N 2.87Å |
| 304 | T | 49.8 | Very low | 50.8 | Low | 68 Ų | 68 | 67.2 Ų | 67.2 | 42% | 0.417 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 176.6 | -57.8 | 0 | 0 | 0 | 0 | 110.8 | G300 A301 L307 A308 | G300-T304 WeakPolarHBondContact O-CB 3.04Å; G300-T304 PolarHBondContact O-N 3.45Å; G300-T304 PolarHBondContact O-OG1 3.26Å; A301-T304 PolarHBondContact O-N 3.42Å; T304-L307 PolarHBondContact O-N 3.34Å; T304-A308 WeakPolarHBondContact O-CB 3.37Å; T304-A308 PolarHBondContact O-N 2.71Å |
| 305 | T | 45.5 | Very low | 48.9 | Very low | 31 Ų | 31 | 70 Ų | 70 | 19% | 0.19 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.2 | -53 | 175.7 | -60 | 0 | 0 | 0 | 0 | 110.3 | A301 I302 L303 L307 A308 T309 H435 C443 | A301-T305 WeakPolarHBondContact O-CB 3.03Å; A301-T305 PolarHBondContact O-N 3.21Å; A301-T305 PolarHBondContact O-OG1 3.13Å; I302-T305 WeakPolarHBondContact O-CB 3.42Å; I302-T305 PolarHBondContact O-N 2.88Å; L303-T305 VanDerWaalsContact C-N 3.27Å; L303-T305 PolarHBondContact O-N 2.73Å; T305-L307 VanDerWaalsContact C-N 3.35Å; T305-L307 PolarHBondContact O-N 3.3Å; T305-A308 WeakPolarHBondContact O-CB 3.06Å; T305-A308 PolarHBondContact O-N 3Å; T305-A308 VanDerWaalsContact O-N 3.15Å; T305-T309 PolarHBondContact O-N 3.22Å; T305-H435 HydrophobicContact CG2-CB 3.89Å; T305-H435 VanDerWaalsContact CG2-CE1 3.48Å; T305-H435 WeakPolarHBondContact CG2-CE1 3.39Å; T305-H435 WeakPolarHBondContact CG2-ND1 3.36Å; T305-H435 PolarHBondContact O-CE1 3.44Å; T305-H435 PolarHBondContact O-ND1 3.44Å; T305-C443 HydrophobicContact CG2-CB 4.25Å |
| 306 | M | 40.9 | Very low | 46.9 | Very low | 88 Ų | 88 | 69.8 Ų | 69.8 | 43% | 0.433 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.2 | -39.1 | 175.5 | -71.6 | -168.7 | -59.7 | 0 | 0 | 114.3 | I302 L303 T309 R310 | I302-M306 HydrophobicContact CG2-CE 4.13Å; I302-M306 HydrophobicContact CG2-SD 4.45Å; I302-M306 WeakPolarHBondContact O-CG 3.48Å; I302-M306 PolarHBondContact O-N 2.88Å; L303-M306 HydrophobicContact CD2-CE 3.71Å; L303-M306 HydrophobicContact CG-CE 4.19Å; L303-M306 PolarHBondContact O-N 2.81Å; M306-T309 PolarHBondContact O-OG1 3.33Å; M306-R310 PolarHBondContact O-N 3.09Å |
| 307 | L | 38.6 | Very low | 44.5 | Very low | 91 Ų | 91 | 76.3 Ų | 76.3 | 48% | 0.476 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -70.4 | -38.4 | 176.6 | -72.5 | 171.1 | 0 | 0 | 0 | 111.8 | L303 T304 T305 T309 R310 N311 | L303-L307 WeakPolarHBondContact O-CB 3.27Å; L303-L307 WeakPolarHBondContact O-CG 3.05Å; L303-L307 PolarHBondContact O-N 2.87Å; T304-L307 PolarHBondContact O-N 3.34Å; T305-L307 VanDerWaalsContact C-N 3.35Å; T305-L307 PolarHBondContact O-N 3.3Å; L307-T309 PolarHBondContact O-N 2.86Å; L307-R310 PolarHBondContact O-N 2.82Å; L307-N311 PolarHBondContact O-N 3.07Å; L307-N311 PolarHBondContact O-ND2 2.92Å |
| 308 | A | 39.5 | Very low | 42.7 | Very low | 36 Ų | 36 | 80 Ų | 80 | 30% | 0.298 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T304 T305 N311 F312 | T304-A308 WeakPolarHBondContact O-CB 3.37Å; T304-A308 PolarHBondContact O-N 2.71Å; T305-A308 WeakPolarHBondContact O-CB 3.06Å; T305-A308 PolarHBondContact O-N 3Å; T305-A308 VanDerWaalsContact O-N 3.15Å; A308-N311 PolarHBondContact O-N 2.91Å; A308-F312 WeakPolarHBondContact O-CD2 3.22Å; A308-F312 PolarHBondContact O-N 3.29Å |
| 309 | T | 40.1 | Very low | 41.2 | Very low | 22 Ų | 22 | 83 Ų | 83 | 14% | 0.135 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -69.4 | -38.8 | 176.4 | 40.7 | 0 | 0 | 0 | 0 | 113.5 | T305 M306 L307 N311 F312 S313 T433 V434 H435 | T305-T309 PolarHBondContact O-N 3.22Å; M306-T309 PolarHBondContact O-OG1 3.33Å; L307-T309 PolarHBondContact O-N 2.86Å; T309-N311 PolarHBondContact O-N 3.27Å; T309-F312 PolarHBondContact O-N 3.17Å; T309-S313 WeakPolarHBondContact O-CB 3.34Å; T309-S313 PolarHBondContact O-N 3.26Å; T309-T433 HydrophobicContact CG2-CG2 4.32Å; T309-V434 WeakPolarHBondContact CG2-O 3.49Å; T309-H435 HydrophobicContact CG2-CB 4.14Å; T309-H435 VanDerWaalsContact CG2-CE1 3.44Å; T309-H435 WeakPolarHBondContact CG2-CE1 3.12Å; T309-H435 VanDerWaalsContact CG2-CG 3.5Å; T309-H435 WeakPolarHBondContact CG2-ND1 3.46Å; T309-H435 PolarHBondContact OG1-CE1 2.98Å; T309-H435 PolarHBondContact OG1-ND1 2.85Å |
| 310 | R | 35.3 | Very low | 39.8 | Very low | 134 Ų | 134 | 83.2 Ų | 83.2 | 51% | 0.506 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -57.7 | -33.8 | 176.2 | -90.2 | -178.9 | 157.8 | 154.3 | -1 | 112.7 | M306 L307 S313 M314 | M306-R310 PolarHBondContact O-N 3.09Å; L307-R310 PolarHBondContact O-N 2.82Å; R310-S313 WeakPolarHBondContact O-CB 3.46Å; R310-S313 PolarHBondContact O-N 2.86Å; R310-M314 PolarHBondContact O-N 2.95Å |
| 311 | N | 33.3 | Very low | 38.7 | Very low | 48 Ų | 48 | 86.1 Ų | 86.1 | 26% | 0.257 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -81.6 | -33.8 | 178 | -66.5 | -43.2 | 0 | 0 | 0 | 114.3 | F23 L307 A308 T309 S313 M314 | F23-N311 HydrophobicContact CE1-CB 3.93Å; F23-N311 HydrophobicContact CZ-CB 4.2Å; F23-N311 WeakPolarHBondContact CZ-ND2 3.48Å; F23-N311 WeakPolarHBondContact CZ-OD1 3.33Å; L307-N311 PolarHBondContact O-N 3.07Å; L307-N311 PolarHBondContact O-ND2 2.92Å; A308-N311 PolarHBondContact O-N 2.91Å; T309-N311 PolarHBondContact O-N 3.27Å; N311-S313 PolarHBondContact O-N 3.08Å; N311-M314 PolarHBondContact O-N 3.33Å; N311-M314 VanDerWaalsContact O-N 3.15Å |
| 312 | F | 30.5 | Very low | 37.6 | Very low | 121 Ų | 121 | 95.8 Ų | 95.8 | 53% | 0.531 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.7 | -25.2 | 166.7 | -97.8 | -76.6 | 0 | 0 | 0 | 112.7 | A308 T309 | A308-F312 WeakPolarHBondContact O-CD2 3.22Å; A308-F312 PolarHBondContact O-N 3.29Å; T309-F312 PolarHBondContact O-N 3.17Å |
| 313 | S | 33.1 | Very low | 36.8 | Very low | 33 Ų | 33 | 96.8 Ų | 96.8 | 23% | 0.231 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -69.7 | -43.3 | 171.5 | -104 | 0 | 0 | 0 | 0 | 112.8 | T309 R310 N311 K315 V350 M351 | T309-S313 WeakPolarHBondContact O-CB 3.34Å; T309-S313 PolarHBondContact O-N 3.26Å; R310-S313 WeakPolarHBondContact O-CB 3.46Å; R310-S313 PolarHBondContact O-N 2.86Å; N311-S313 PolarHBondContact O-N 3.08Å; S313-K315 VanDerWaalsContact C-N 3.31Å; S313-K315 PolarHBondContact O-N 3.46Å; S313-V350 VanDerWaalsContact CB-CA 3.42Å; S313-V350 CarbonylContact O-C 3.58Å; S313-V350 VanDerWaalsContact O-C 3.3Å; S313-V350 WeakPolarHBondContact OG-CA 3.32Å; S313-V350 WeakPolarHBondContact OG-CG1 3.12Å; S313-M351 CarbonylContact O-C 3.59Å; S313-M351 WeakPolarHBondContact O-CA 3.31Å; S313-M351 WeakPolarHBondContact O-CB 3.39Å; S313-M351 WeakPolarHBondContact O-CG 3.46Å; S313-M351 PolarHBondContact O-N 2.95Å |
| 314 | M | 33.6 | Very low | 36.1 | Very low | 81 Ų | 81 | 99.2 Ų | 99.2 | 40% | 0.399 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -77.7 | 43.6 | -166.5 | -58 | -156.4 | 67.6 | 0 | 0 | 118.2 | R310 N311 T348 A349 M351 | R310-M314 PolarHBondContact O-N 2.95Å; N311-M314 PolarHBondContact O-N 3.33Å; N311-M314 VanDerWaalsContact O-N 3.15Å; M314-T348 HydrophobicContact SD-CG2 3.88Å; M314-A349 WeakPolarHBondContact CG-O 3.25Å; M314-M351 VanDerWaalsContact C-SD 3.53Å; M314-M351 HydrophobicContact CB-CE 4.46Å |
| 315 | K | 35.1 | Very low | 35.6 | Very low | 121 Ų | 121 | 102.4 Ų | 102.4 | 53% | 0.526 | 57% | 0.572 | S | S | . | * | trans | -148.3 | 95.7 | 175.4 | -65.8 | -164.5 | 173.1 | -154.9 | 0 | 118.6 | K46 S313 M351 | K46-K315 PolarHBondContact O-NZ 3.27Å; S313-K315 VanDerWaalsContact C-N 3.31Å; S313-K315 PolarHBondContact O-N 3.46Å; K315-M351 VanDerWaalsContact C-SD 3.56Å; K315-M351 WeakPolarHBondContact CA-SD 3.28Å; K315-M351 PolarHBondContact N-SD 3.37Å; K315-M351 VanDerWaalsContact N-SD 3.35Å | ||
| 316 | K | 32.4 | Very low | 35.1 | Very low | 108 Ų | 108 | 107 Ų | 107 | 47% | 0.47 | 60% | 0.602 | S | S | . | * | trans | 152 | 94.1 | 164.9 | -92.5 | -162.9 | -146.7 | 141.9 | 0 | 110.1 | M351 E352 | K316-M351 VanDerWaalsContact C-SD 3.54Å; K316-M351 HydrophobicContact CB-CB 4.08Å; K316-M351 PolarHBondContact N-SD 3.25Å; K316-M351 WeakPolarHBondContact O-CB 3.38Å; K316-E352 HydrophobicContact CB-CB 4.14Å; K316-E352 HydrophobicContact CB-CG 4.17Å; K316-E352 HydrophobicContact CD-CB 3.74Å; K316-E352 HydrophobicContact CD-CG 4.01Å; K316-E352 WeakPolarHBondContact CD-OE2 3.09Å; K316-E352 WeakPolarHBondContact CE-OE2 3.45Å; K316-E352 HydrophobicContact CG-CB 4.39Å; K316-E352 IonicContact NZ-OE2 3.56Å; K316-E352 PolarHBondContact NZ-OE2 2.92Å | ||
| 317 | D | 31.4 | Very low | 34.9 | Very low | 160 Ų | 160 | 106.4 Ų | 106.4 | 86% | 0.856 | 62% | 0.618 | S | S | * | * | trans | -163.2 | 68.9 | 144.5 | -118 | -8.4 | 0 | 0 | 0 | 108.8 | ||||
| 318 | D | 33.6 | Very low | 34.7 | Very low | 161 Ų | 161 | 107 Ų | 107 | 86% | 0.861 | 63% | 0.63 | S | S | * | * | trans | -162.9 | 92.5 | 167.4 | -133.8 | -14.2 | 0 | 0 | 0 | 110.3 | ||||
| 319 | S | 34.7 | Very low | 34.5 | Very low | 110 Ų | 110 | 113.2 Ų | 113.2 | 77% | 0.769 | 65% | 0.653 | S | S | * | * | trans | 164.3 | 137.8 | 139.4 | 47.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 320 | S | 34.2 | Very low | 34.1 | Very low | 112 Ų | 112 | 118.4 Ų | 118.4 | 78% | 0.783 | 68% | 0.684 | S | S | * | * | trans | 82.3 | 51.9 | 147.7 | 72.8 | 0 | 0 | 0 | 0 | 121.5 | R322 | S320-R322 PolarHBondContact O-N 3.08Š| ||
| 321 | G | 32.9 | Very low | 34 | Very low | 89 Ų | 89 | 116.8 Ų | 116.8 | 92% | 0.918 | 69% | 0.694 | S | S | * | * | trans | -81.1 | 89.8 | 150.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 322 | R | 34.1 | Very low | 33.9 | Very low | 256 Ų | 256 | 120.7 Ų | 120.7 | 97% | 0.966 | 72% | 0.719 | S | S | * | * | trans | -97 | 101.7 | -179.1 | -167.4 | 179.7 | -169.1 | 175.5 | 3.3 | 111.2 | S320 | S320-R322 PolarHBondContact O-N 3.08Š| ||
| 323 | G | 34.8 | Very low | 34.1 | Very low | 66 Ų | 66 | 121.8 Ų | 121.8 | 68% | 0.68 | 74% | 0.736 | S | S | * | * | trans | -148.8 | 100 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 324 | T | 35.6 | Very low | 33.9 | Very low | 148 Ų | 148 | 129.7 Ų | 129.7 | 91% | 0.908 | 77% | 0.766 | S | S | * | * | trans | 44.5 | 139.7 | 148.8 | -26.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 325 | V | 37.6 | Very low | 33.8 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -99.7 | 176.5 | -165.7 | -144.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 326 | P | 36.7 | Very low | 33.4 | Very low | 128 Ų | 128 | 135 Ų | 135 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | -117.4 | 176.1 | -84.1 | 40.2 | -26.9 | 0 | 0 | 0 | 114.9 | |||||
| 327 | G | 35 | Very low | 33.4 | Very low | 74 Ų | 74 | 137.3 Ų | 137.3 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | trans | -166.7 | 112.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 328 | S | 34.5 | Very low | 33.3 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | trans | 64.5 | 101.4 | 139.1 | -174.3 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 329 | H | 36.2 | Very low | 33.1 | Very low | 165 Ų | 165 | 132.6 Ų | 132.6 | 76% | 0.764 | 81% | 0.809 | S | S | * | * | 66.8 | 131.1 | 128.7 | -66.8 | -69.1 | 0 | 0 | 0 | 125.1 | |||||
| 330 | T | 32 | Very low | 32.9 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | 67.1 | 147 | 144.7 | 51.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 331 | S | 33.5 | Very low | 32.7 | Very low | 101 Ų | 101 | 138.8 Ų | 138.8 | 71% | 0.706 | 81% | 0.814 | S | S | * | * | cis | -169.6 | 140.6 | -10.9 | 47.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 332 | V | 30.6 | Very low | 32.4 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 78% | 0.782 | 81% | 0.812 | S | S | * | * | trans | 38.4 | 119.6 | 142.1 | -172.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 333 | T | 33.6 | Very low | 32.2 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | -169.7 | 148.8 | 117.1 | 17.7 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 334 | K | 28.8 | Very low | 31.8 | Very low | 200 Ų | 200 | 138.6 Ų | 138.6 | 87% | 0.87 | 81% | 0.806 | S | S | * | * | trans | -89.8 | 153.2 | 175.6 | -62.9 | 172.4 | 173.1 | 176.5 | 0 | 111.4 | ||||
| 335 | K | 32.1 | Very low | 31.4 | Very low | 211 Ų | 211 | 138.3 Ų | 138.3 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | -166.8 | 148.9 | 123.2 | -109.4 | 170.3 | -175.8 | -179 | 0 | 113.5 | |||||
| 336 | S | 27.3 | Very low | 30.8 | Very low | 103 Ų | 103 | 137.4 Ų | 137.4 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | -96.4 | 153.3 | 179.9 | 48.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 337 | N | 32 | Very low | 30.4 | Very low | 155 Ų | 155 | 135.2 Ų | 135.2 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | -168.2 | 160 | 124.1 | -116.6 | 24.4 | 0 | 0 | 0 | 113.6 | |||||
| 338 | D | 28.9 | Very low | 30.1 | Very low | 152 Ų | 152 | 134.7 Ų | 134.7 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | -62.5 | 154 | -176 | -67.6 | -69.5 | 0 | 0 | 0 | 115.8 | ||||
| 339 | G | 30.5 | Very low | 29.9 | Very low | 70 Ų | 70 | 132 Ų | 132 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | trans | -172 | 60.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | K341 | G339-K341 PolarHBondContact O-N 2.89Š| ||
| 340 | I | 29.1 | Very low | 29.6 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 81% | 0.81 | 75% | 0.747 | S | S | * | * | trans | -60.1 | 111.4 | 177.4 | -63.5 | 172.2 | 0 | 0 | 0 | 109.3 | ||||
| 341 | K | 31.8 | Very low | 29.9 | Very low | 195 Ų | 195 | 125.8 Ų | 125.8 | 85% | 0.848 | 72% | 0.722 | S | S | * | * | trans | -135 | 106.4 | 169.1 | -128.1 | 179.3 | -176.5 | 179.5 | 0 | 106.9 | G339 S343 | G339-K341 PolarHBondContact O-N 2.89Å; K341-S343 PolarHBondContact O-N 3.3Å | ||
| 342 | E | 26 | Very low | 30.3 | Very low | 189 Ų | 189 | 126.5 Ų | 126.5 | 88% | 0.883 | 72% | 0.715 | S | S | * | * | trans | -62.2 | 109.8 | -178.1 | -65 | -173.7 | 149.7 | 0 | 0 | 110.1 | ||||
| 343 | S | 29.6 | Very low | 31.1 | Very low | 102 Ų | 102 | 122.1 Ų | 122.1 | 71% | 0.713 | 69% | 0.687 | S | S | * | * | trans | -84.1 | 120.6 | -179.1 | 49.6 | 0 | 0 | 0 | 0 | 111.2 | K341 D345 | K341-S343 PolarHBondContact O-N 3.3Å; S343-D345 PolarHBondContact O-N 2.85Å | ||
| 344 | S | 25.8 | Very low | 32.5 | Very low | 115 Ų | 115 | 118.1 Ų | 118.1 | 80% | 0.804 | 67% | 0.665 | S | S | * | * | trans | -58.1 | 108.1 | 168.9 | -52.5 | 0 | 0 | 0 | 0 | 111.9 | S346 | S344-S346 PolarHBondContact O-N 3.2Š| ||
| 345 | D | 27.2 | Very low | 34.7 | Very low | 142 Ų | 142 | 112.7 Ų | 112.7 | 76% | 0.759 | 66% | 0.657 | S | S | * | * | trans | -90.8 | 86 | 171.1 | -102.6 | -39.6 | 0 | 0 | 0 | 112.2 | S343 S347 | S343-D345 PolarHBondContact O-N 2.85Å; D345-S347 PolarHBondContact OD1-OG 2.92Å | ||
| 346 | S | 25.2 | Very low | 36.8 | Very low | 116 Ų | 116 | 106.9 Ų | 106.9 | 81% | 0.811 | 64% | 0.636 | S | S | * | * | trans | -111.9 | 92 | 156.7 | 64.2 | 0 | 0 | 0 | 0 | 109 | S344 | S344-S346 PolarHBondContact O-N 3.2Š| ||
| 347 | S | 29.3 | Very low | 39.3 | Very low | 82 Ų | 82 | 104.2 Ų | 104.2 | 57% | 0.573 | 61% | 0.613 | S | S | * | * | trans | -148.4 | 103.6 | -167.7 | 40.4 | 0 | 0 | 0 | 0 | 111.6 | D345 | D345-S347 PolarHBondContact OD1-OG 2.92Š| ||
| 348 | T | 27.2 | Very low | 41.7 | Very low | 63 Ų | 63 | 101.7 Ų | 101.7 | 39% | 0.387 | 60% | 0.595 | S | S | . | * | trans | -118.8 | 115.9 | 168 | 4 | 0 | 0 | 0 | 0 | 107.6 | M314 | M314-T348 HydrophobicContact SD-CG2 3.88Š| ||
| 349 | A | 30.5 | Very low | 44.4 | Very low | 49 Ų | 49 | 97.2 Ų | 97.2 | 41% | 0.405 | 58% | 0.576 | S | S | . | * | trans | -131.5 | 102.8 | -162 | 0 | 0 | 0 | 0 | 0 | 115.3 | M314 | M314-A349 WeakPolarHBondContact CG-O 3.25Š| ||
| 350 | V | 31.5 | Very low | 47.2 | Very low | 108 Ų | 108 | 96.5 Ų | 96.5 | 66% | 0.655 | 55% | 0.553 | S | S | * | * | trans | 26 | 126.4 | 134.3 | -57.8 | 0 | 0 | 0 | 0 | 123.3 | S313 | S313-V350 VanDerWaalsContact CB-CA 3.42Å; S313-V350 CarbonylContact O-C 3.58Å; S313-V350 VanDerWaalsContact O-C 3.3Å; S313-V350 WeakPolarHBondContact OG-CA 3.32Å; S313-V350 WeakPolarHBondContact OG-CG1 3.12Å | ||
| 351 | M | 38.4 | Very low | 50.1 | Low | 57 Ų | 57 | 90.9 Ų | 90.9 | 28% | 0.281 | 52% | 0.522 | S | S | . | . | trans | -174.7 | 98 | 176.2 | -35.9 | 175.9 | -160 | 0 | 0 | 111.5 | S313 M314 K315 K316 | S313-M351 CarbonylContact O-C 3.59Å; S313-M351 WeakPolarHBondContact O-CA 3.31Å; S313-M351 WeakPolarHBondContact O-CB 3.39Å; S313-M351 WeakPolarHBondContact O-CG 3.46Å; S313-M351 PolarHBondContact O-N 2.95Å; M314-M351 VanDerWaalsContact C-SD 3.53Å; M314-M351 HydrophobicContact CB-CE 4.46Å; K315-M351 VanDerWaalsContact C-SD 3.56Å; K315-M351 WeakPolarHBondContact CA-SD 3.28Å; K315-M351 PolarHBondContact N-SD 3.37Å; K315-M351 VanDerWaalsContact N-SD 3.35Å; K316-M351 VanDerWaalsContact C-SD 3.54Å; K316-M351 HydrophobicContact CB-CB 4.08Å; K316-M351 PolarHBondContact N-SD 3.25Å; K316-M351 WeakPolarHBondContact O-CB 3.38Å | ||
| 352 | E | 40.1 | Very low | 52.9 | Low | 116 Ų | 116 | 85.6 Ų | 85.6 | 54% | 0.542 | 50% | 0.501 | S | S | . | . | trans | 49 | 112.6 | 149.7 | -53.9 | -132.1 | 131.5 | 0 | 0 | 127.1 | K316 | K316-E352 HydrophobicContact CB-CB 4.14Å; K316-E352 HydrophobicContact CB-CG 4.17Å; K316-E352 HydrophobicContact CD-CB 3.74Å; K316-E352 HydrophobicContact CD-CG 4.01Å; K316-E352 WeakPolarHBondContact CD-OE2 3.09Å; K316-E352 WeakPolarHBondContact CE-OE2 3.45Å; K316-E352 HydrophobicContact CG-CB 4.39Å; K316-E352 IonicContact NZ-OE2 3.56Å; K316-E352 PolarHBondContact NZ-OE2 2.92Å | ||
| 353 | D | 47.4 | Very low | 56.1 | Low | 38 Ų | 38 | 79.3 Ų | 79.3 | 20% | 0.203 | 47% | 0.473 | C | S | . | . | trans | -70.2 | 157.8 | 162.9 | -64.6 | -55.5 | 0 | 0 | 0 | 116.2 | I357 K358 K361 | D353-I357 HydrophobicContact CB-CB 4.14Å; D353-I357 HydrophobicContact CB-CG2 3.8Å; D353-I357 VanDerWaalsContact OD1-CG2 3.27Å; D353-I357 WeakPolarHBondContact OD1-CG2 3.42Å; D353-K358 HydrophobicContact CB-CD 4.47Å; D353-K358 HydrophobicContact CB-CG 3.6Å; D353-K358 VanDerWaalsContact O-CE 3.3Å; D353-K358 WeakPolarHBondContact O-CE 3.31Å; D353-K361 WeakPolarHBondContact OD1-CE 3.41Å; D353-K361 IonicContact OD1-NZ 3.92Å; D353-K361 PolarHBondContact OD1-NZ 3.34Å; D353-K361 WeakPolarHBondContact OD2-CD 3.49Å; D353-K361 WeakPolarHBondContact OD2-CE 3.41Å; D353-K361 IonicContact OD2-NZ 2.71Å; D353-K361 PolarHBondContact OD2-NZ 3.43Å | ||
| 354 | S | 64.3 | Low | 59.2 | Low | 59 Ų | 59 | 74.4 Ų | 74.4 | 41% | 0.413 | 44% | 0.439 | S | S | . | . | trans | -77.8 | 163.7 | 167.8 | 76.5 | 0 | 0 | 0 | 0 | 112.4 | D356 I357 K358 | S354-D356 PolarHBondContact O-N 3.15Å; S354-I357 PolarHBondContact O-N 3.1Å; S354-I357 VanDerWaalsContact O-N 3.15Å; S354-I357 WeakPolarHBondContact OG-CD1 3.46Å; S354-I357 WeakPolarHBondContact OG-CG1 3.25Å; S354-I357 PolarHBondContact OG-N 3.18Å; S354-K358 WeakPolarHBondContact O-CG 3.46Å; S354-K358 PolarHBondContact O-N 3.34Å | ||
| 355 | A | 73.7 | Confident | 62.4 | Low | 86 Ų | 86 | 70.2 Ų | 70.2 | 71% | 0.711 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -59.4 | -41.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | K358 S359 | A355-K358 PolarHBondContact O-N 3.32Å; A355-S359 PolarHBondContact O-N 2.8Å |
| 356 | D | 77.2 | Confident | 65.4 | Low | 90 Ų | 90 | 68.2 Ų | 68.2 | 48% | 0.481 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.6 | -42 | 174.2 | 174.2 | 58.3 | 0 | 0 | 0 | 111.8 | S354 K358 S359 K360 | S354-D356 PolarHBondContact O-N 3.15Å; D356-K358 PolarHBondContact O-N 3.19Å; D356-S359 PolarHBondContact O-N 3.18Å; D356-K360 WeakPolarHBondContact O-CG 3.46Å; D356-K360 PolarHBondContact O-N 2.85Å; D356-K360 WeakPolarHBondContact OD1-CE 3.27Å; D356-K360 IonicContact OD1-NZ 2.73Å; D356-K360 PolarHBondContact OD1-NZ 3.46Å; D356-K360 WeakPolarHBondContact OD2-CE 3.22Å; D356-K360 IonicContact OD2-NZ 2.74Å; D356-K360 PolarHBondContact OD2-NZ 3.21Å |
| 357 | I | 80.2 | Confident | 68.7 | Low | 46 Ų | 46 | 63 Ų | 63 | 24% | 0.236 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 175.5 | -64.8 | 170.5 | 0 | 0 | 0 | 110.6 | D353 S354 S359 K360 K361 L436 | D353-I357 HydrophobicContact CB-CB 4.14Å; D353-I357 HydrophobicContact CB-CG2 3.8Å; D353-I357 VanDerWaalsContact OD1-CG2 3.27Å; D353-I357 WeakPolarHBondContact OD1-CG2 3.42Å; S354-I357 PolarHBondContact O-N 3.1Å; S354-I357 VanDerWaalsContact O-N 3.15Å; S354-I357 WeakPolarHBondContact OG-CD1 3.46Å; S354-I357 WeakPolarHBondContact OG-CG1 3.25Å; S354-I357 PolarHBondContact OG-N 3.18Å; I357-S359 VanDerWaalsContact C-N 3.35Å; I357-K360 PolarHBondContact O-N 3.34Å; I357-K361 HydrophobicContact CG2-CD 4.21Å; I357-K361 HydrophobicContact CG2-CG 4.33Å; I357-K361 WeakPolarHBondContact O-CB 3.43Å; I357-K361 WeakPolarHBondContact O-CG 3.44Å; I357-K361 PolarHBondContact O-N 2.89Å; I357-L436 HydrophobicContact CG2-CD1 4.06Å |
| 358 | K | 82 | Confident | 71.9 | Confident | 102 Ų | 102 | 59.1 Ų | 59.1 | 44% | 0.443 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 173.6 | -72.3 | -177.3 | 178 | 179.5 | 0 | 110.8 | D353 S354 A355 D356 K361 Q362 | D353-K358 HydrophobicContact CB-CD 4.47Å; D353-K358 HydrophobicContact CB-CG 3.6Å; D353-K358 VanDerWaalsContact O-CE 3.3Å; D353-K358 WeakPolarHBondContact O-CE 3.31Å; S354-K358 WeakPolarHBondContact O-CG 3.46Å; S354-K358 PolarHBondContact O-N 3.34Å; A355-K358 PolarHBondContact O-N 3.32Å; D356-K358 PolarHBondContact O-N 3.19Å; K358-K361 PolarHBondContact O-N 3.4Å; K358-Q362 WeakPolarHBondContact O-CB 3.16Å; K358-Q362 PolarHBondContact O-N 2.91Å |
| 359 | S | 86.2 | Confident | 74.9 | Confident | 59 Ų | 59 | 60.4 Ų | 60.4 | 41% | 0.413 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.5 | -51.3 | 175.6 | -167.6 | 0 | 0 | 0 | 0 | 111.8 | A355 D356 I357 K361 Q362 D363 | A355-S359 PolarHBondContact O-N 2.8Å; D356-S359 PolarHBondContact O-N 3.18Å; I357-S359 VanDerWaalsContact C-N 3.35Å; S359-K361 PolarHBondContact O-N 3.03Å; S359-Q362 CarbonylContact O-C 3.5Å; S359-Q362 WeakPolarHBondContact O-CA 3.42Å; S359-Q362 WeakPolarHBondContact O-CB 3.31Å; S359-Q362 PolarHBondContact O-N 3.27Å; S359-Q362 VanDerWaalsContact O-N 3.08Å; S359-D363 PolarHBondContact O-N 3.44Å |
| 360 | K | 88.1 | Confident | 77.8 | Confident | 54 Ų | 54 | 63.1 Ų | 63.1 | 24% | 0.235 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.4 | -39.1 | 179.4 | -74.1 | 168.7 | 177.7 | 163.2 | 0 | 112.7 | D356 I357 Q362 D363 I364 L436 | D356-K360 WeakPolarHBondContact O-CG 3.46Å; D356-K360 PolarHBondContact O-N 2.85Å; D356-K360 WeakPolarHBondContact OD1-CE 3.27Å; D356-K360 IonicContact OD1-NZ 2.73Å; D356-K360 PolarHBondContact OD1-NZ 3.46Å; D356-K360 WeakPolarHBondContact OD2-CE 3.22Å; D356-K360 IonicContact OD2-NZ 2.74Å; D356-K360 PolarHBondContact OD2-NZ 3.21Å; I357-K360 PolarHBondContact O-N 3.34Å; K360-Q362 VanDerWaalsContact C-N 3.35Å; K360-D363 WeakPolarHBondContact O-CB 3.2Å; K360-D363 PolarHBondContact O-N 3.28Å; K360-I364 WeakPolarHBondContact O-CG1 3.39Å; K360-I364 PolarHBondContact O-N 3.13Å; K360-I364 VanDerWaalsContact O-N 3.12Å; K360-L436 HydrophobicContact CB-CD1 3.66Å; K360-L436 HydrophobicContact CB-CD2 4.23Å; K360-L436 HydrophobicContact CD-CD1 4.29Å |
| 361 | K | 91.3 | Very high | 80.8 | Confident | 40 Ų | 40 | 58 Ų | 58 | 17% | 0.174 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 172.3 | -73.8 | -174.7 | 177.5 | 179.7 | 0 | 111.4 | D353 I357 K358 S359 D363 I364 I365 V434 L436 | D353-K361 WeakPolarHBondContact OD1-CE 3.41Å; D353-K361 IonicContact OD1-NZ 3.92Å; D353-K361 PolarHBondContact OD1-NZ 3.34Å; D353-K361 WeakPolarHBondContact OD2-CD 3.49Å; D353-K361 WeakPolarHBondContact OD2-CE 3.41Å; D353-K361 IonicContact OD2-NZ 2.71Å; D353-K361 PolarHBondContact OD2-NZ 3.43Å; I357-K361 HydrophobicContact CG2-CD 4.21Å; I357-K361 HydrophobicContact CG2-CG 4.33Å; I357-K361 WeakPolarHBondContact O-CB 3.43Å; I357-K361 WeakPolarHBondContact O-CG 3.44Å; I357-K361 PolarHBondContact O-N 2.89Å; K358-K361 PolarHBondContact O-N 3.4Å; S359-K361 PolarHBondContact O-N 3.03Å; K361-D363 VanDerWaalsContact C-N 3.31Å; K361-D363 PolarHBondContact O-N 3.31Å; K361-I364 PolarHBondContact O-N 3.27Å; K361-I365 WeakPolarHBondContact O-CG1 3.34Å; K361-I365 PolarHBondContact O-N 2.76Å; K361-V434 HydrophobicContact CB-CB 4.22Å; K361-V434 HydrophobicContact CB-CG1 4.29Å; K361-V434 HydrophobicContact CD-CB 4.36Å; K361-V434 WeakPolarHBondContact CE-O 3.28Å; K361-V434 HydrophobicContact CG-CB 3.92Å; K361-V434 HydrophobicContact CG-CG1 3.9Å; K361-L436 HydrophobicContact CG-CD1 4.42Å; K361-L436 HydrophobicContact CG-CG 4.39Å |
| 362 | Q | 90.8 | Very high | 83.3 | Confident | 85 Ų | 85 | 55.5 Ų | 55.5 | 40% | 0.397 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.4 | -32.8 | 174.7 | -162.9 | 66.7 | 47.3 | 0 | 0 | 112.3 | K358 S359 K360 I365 R366 | K358-Q362 WeakPolarHBondContact O-CB 3.16Å; K358-Q362 PolarHBondContact O-N 2.91Å; S359-Q362 CarbonylContact O-C 3.5Å; S359-Q362 WeakPolarHBondContact O-CA 3.42Å; S359-Q362 WeakPolarHBondContact O-CB 3.31Å; S359-Q362 PolarHBondContact O-N 3.27Å; S359-Q362 VanDerWaalsContact O-N 3.08Å; K360-Q362 VanDerWaalsContact C-N 3.35Å; Q362-I365 PolarHBondContact O-N 2.98Å; Q362-R366 WeakPolarHBondContact O-CB 3.29Å; Q362-R366 VanDerWaalsContact O-CG 3.3Å; Q362-R366 WeakPolarHBondContact O-CG 3.42Å; Q362-R366 PolarHBondContact O-N 3.02Å |
| 363 | D | 92.8 | Very high | 85.5 | Confident | 56 Ų | 56 | 52.8 Ų | 52.8 | 30% | 0.299 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 172.7 | -69.3 | -42.8 | 0 | 0 | 0 | 112.2 | S359 K360 K361 R366 A367 | S359-D363 PolarHBondContact O-N 3.44Å; K360-D363 WeakPolarHBondContact O-CB 3.2Å; K360-D363 PolarHBondContact O-N 3.28Å; K361-D363 VanDerWaalsContact C-N 3.31Å; K361-D363 PolarHBondContact O-N 3.31Å; D363-R366 PolarHBondContact O-N 3.49Å; D363-R366 IonicContact OD1-CZ 3.57Å; D363-R366 IonicContact OD1-NE 2.68Å; D363-R366 IonicContact OD1-NH2 2.68Å; D363-R366 PolarHBondContact OD1-NH2 3.39Å; D363-A367 WeakPolarHBondContact O-CB 3.49Å; D363-A367 PolarHBondContact O-N 2.86Å |
| 364 | I | 94.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68 | -38.6 | 176.4 | -61 | -59.6 | 0 | 0 | 0 | 111.8 | K360 K361 T368 V434 L436 A442 I444 W470 W478 | K360-I364 WeakPolarHBondContact O-CG1 3.39Å; K360-I364 PolarHBondContact O-N 3.13Å; K360-I364 VanDerWaalsContact O-N 3.12Å; K361-I364 PolarHBondContact O-N 3.27Å; I364-T368 WeakPolarHBondContact O-CB 3.29Å; I364-T368 PolarHBondContact O-N 3.38Å; I364-T368 PolarHBondContact O-OG1 3.29Å; I364-V434 HydrophobicContact CB-CG1 3.87Å; I364-V434 HydrophobicContact CB-CG2 4.32Å; I364-V434 HydrophobicContact CG1-CG1 4.11Å; I364-V434 HydrophobicContact CG2-CG1 3.9Å; I364-V434 HydrophobicContact CG2-CG2 4.13Å; I364-L436 HydrophobicContact CG1-CD2 4.24Å; I364-A442 HydrophobicContact CD1-CB 3.52Å; I364-A442 HydrophobicContact CG1-CB 3.63Å; I364-A442 HydrophobicContact CG2-CB 4.46Å; I364-I444 HydrophobicContact CG2-CB 3.99Å; I364-I444 HydrophobicContact CG2-CD1 4.41Å; I364-I444 HydrophobicContact CG2-CG2 4.25Å; I364-W470 HydrophobicContact CD1-CB 4.25Å; I364-W470 HydrophobicContact CD1-CG 4.49Å; I364-W478 HydrophobicContact CD1-CD2 3.5Å; I364-W478 VanDerWaalsContact CD1-CD2 3.5Å; I364-W478 VanDerWaalsContact CD1-CE2 3.46Å; I364-W478 HydrophobicContact CD1-CE3 3.76Å; I364-W478 HydrophobicContact CD1-CG 4.03Å; I364-W478 HydrophobicContact CD1-CH2 3.99Å; I364-W478 HydrophobicContact CD1-CZ2 3.74Å; I364-W478 HydrophobicContact CD1-CZ3 3.99Å |
| 365 | I | 92 | Very high | 88.7 | Confident | 27 Ų | 27 | 48.4 Ų | 48.4 | 14% | 0.138 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.5 | -52.2 | 172.7 | -69 | 165 | 0 | 0 | 0 | 109.3 | K361 Q362 A367 T368 E369 P432 V434 I444 | K361-I365 WeakPolarHBondContact O-CG1 3.34Å; K361-I365 PolarHBondContact O-N 2.76Å; Q362-I365 PolarHBondContact O-N 2.98Å; I365-A367 PolarHBondContact O-N 2.97Å; I365-T368 WeakPolarHBondContact O-CB 3.47Å; I365-T368 PolarHBondContact O-N 2.98Å; I365-T368 VanDerWaalsContact O-N 3.08Å; I365-E369 HydrophobicContact CG2-CG 4.24Å; I365-E369 WeakPolarHBondContact O-CG 3.31Å; I365-E369 PolarHBondContact O-N 2.91Å; I365-P432 HydrophobicContact CG1-CB 4.45Å; I365-V434 HydrophobicContact CD1-CG2 4.26Å; I365-V434 HydrophobicContact CG1-CG2 3.8Å; I365-I444 HydrophobicContact CG1-CD1 4.31Å |
| 366 | R | 92.1 | Very high | 89.1 | Confident | 99 Ų | 99 | 46.1 Ų | 46.1 | 37% | 0.374 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -56.4 | -45.9 | 177.2 | -78.4 | -174.2 | -73.4 | -112.9 | 4.4 | 112.9 | Q362 D363 T368 E369 Q370 | Q362-R366 WeakPolarHBondContact O-CB 3.29Å; Q362-R366 VanDerWaalsContact O-CG 3.3Å; Q362-R366 WeakPolarHBondContact O-CG 3.42Å; Q362-R366 PolarHBondContact O-N 3.02Å; D363-R366 PolarHBondContact O-N 3.49Å; D363-R366 IonicContact OD1-CZ 3.57Å; D363-R366 IonicContact OD1-NE 2.68Å; D363-R366 IonicContact OD1-NH2 2.68Å; D363-R366 PolarHBondContact OD1-NH2 3.39Å; R366-T368 VanDerWaalsContact C-N 3.28Å; R366-T368 PolarHBondContact O-N 2.8Å; R366-E369 PolarHBondContact O-N 3.06Å; R366-Q370 WeakPolarHBondContact O-CB 3.28Å; R366-Q370 VanDerWaalsContact O-CG 3.23Å; R366-Q370 WeakPolarHBondContact O-CG 3.31Å; R366-Q370 PolarHBondContact O-N 2.85Å |
| 367 | A | 94.6 | Very high | 89.3 | Confident | 7 Ų | 7 | 45.6 Ų | 45.6 | 6% | 0.058 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.2 | -36.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D363 I365 L371 W470 W478 | D363-A367 WeakPolarHBondContact O-CB 3.49Å; D363-A367 PolarHBondContact O-N 2.86Å; I365-A367 PolarHBondContact O-N 2.97Å; A367-L371 WeakPolarHBondContact O-CB 3.13Å; A367-L371 PolarHBondContact O-N 3.23Å; A367-W470 HydrophobicContact CB-CH2 4.09Å; A367-W470 HydrophobicContact CB-CZ2 4.32Å; A367-W470 HydrophobicContact CB-CZ3 4.3Å; A367-W478 HydrophobicContact CB-CB 4.42Å |
| 368 | T | 95.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71.4 | -43.7 | 176.2 | -53.3 | 0 | 0 | 0 | 0 | 111.7 | I364 I365 R366 Q370 L371 L372 I429 I444 Y446 W470 | I364-T368 WeakPolarHBondContact O-CB 3.29Å; I364-T368 PolarHBondContact O-N 3.38Å; I364-T368 PolarHBondContact O-OG1 3.29Å; I365-T368 WeakPolarHBondContact O-CB 3.47Å; I365-T368 PolarHBondContact O-N 2.98Å; I365-T368 VanDerWaalsContact O-N 3.08Å; R366-T368 VanDerWaalsContact C-N 3.28Å; R366-T368 PolarHBondContact O-N 2.8Å; T368-Q370 VanDerWaalsContact C-N 3.33Å; T368-Q370 PolarHBondContact O-N 2.74Å; T368-L371 PolarHBondContact O-N 2.65Å; T368-L372 HydrophobicContact CG2-CD1 4.39Å; T368-L372 WeakPolarHBondContact O-CB 3.47Å; T368-L372 WeakPolarHBondContact O-CG 3.44Å; T368-L372 PolarHBondContact O-N 3.09Å; T368-I429 HydrophobicContact CG2-CD1 4.12Å; T368-I444 HydrophobicContact CG2-CD1 4.33Å; T368-I444 HydrophobicContact CG2-CG2 4.38Å; T368-Y446 HydrophobicContact CG2-CD1 4.45Å; T368-Y446 HydrophobicContact CG2-CE1 3.63Å; T368-W470 PolarHBondContact OG1-NE1 3.37Å |
| 369 | E | 90.2 | Very high | 90.1 | Very high | 90 Ų | 90 | 43.2 Ų | 43.2 | 42% | 0.421 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.5 | -43 | 173.6 | -70.4 | 169.2 | 155.9 | 0 | 0 | 111.5 | I365 R366 L372 A373 I429 | I365-E369 HydrophobicContact CG2-CG 4.24Å; I365-E369 WeakPolarHBondContact O-CG 3.31Å; I365-E369 PolarHBondContact O-N 2.91Å; R366-E369 PolarHBondContact O-N 3.06Å; E369-L372 PolarHBondContact O-N 3.45Å; E369-A373 VanDerWaalsContact O-CB 3.26Å; E369-A373 WeakPolarHBondContact O-CB 3.24Å; E369-A373 PolarHBondContact O-N 3.23Å; E369-I429 HydrophobicContact CG-CD1 3.74Å |
| 370 | Q | 92.8 | Very high | 90.4 | Very high | 106 Ų | 106 | 41.9 Ų | 41.9 | 50% | 0.495 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67 | -42.4 | 177.5 | -73.5 | 173.4 | -16.2 | 0 | 0 | 112.8 | R366 T368 A373 A374 F386 | R366-Q370 WeakPolarHBondContact O-CB 3.28Å; R366-Q370 VanDerWaalsContact O-CG 3.23Å; R366-Q370 WeakPolarHBondContact O-CG 3.31Å; R366-Q370 PolarHBondContact O-N 2.85Å; T368-Q370 VanDerWaalsContact C-N 3.33Å; T368-Q370 PolarHBondContact O-N 2.74Å; Q370-A373 PolarHBondContact O-N 3.16Å; Q370-A374 WeakPolarHBondContact O-CB 3.46Å; Q370-A374 PolarHBondContact O-N 3Å; Q370-F386 HydrophobicContact CB-CE1 4.2Å; Q370-F386 HydrophobicContact CB-CE2 4.16Å; Q370-F386 HydrophobicContact CB-CZ 3.57Å |
| 371 | L | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 173.6 | 177.1 | 161.2 | 0 | 0 | 0 | 111.1 | A367 T368 A373 A374 A375 Y383 F386 L387 W470 N480 | A367-L371 WeakPolarHBondContact O-CB 3.13Å; A367-L371 PolarHBondContact O-N 3.23Å; T368-L371 PolarHBondContact O-N 2.65Å; L371-A373 VanDerWaalsContact C-N 3.35Å; L371-A374 PolarHBondContact O-N 3.46Å; L371-A375 PolarHBondContact O-N 3.48Å; L371-Y383 HydrophobicContact CD2-CD2 4.24Å; L371-Y383 HydrophobicContact CD2-CE2 3.75Å; L371-Y383 HydrophobicContact CG-CD2 4.12Å; L371-Y383 HydrophobicContact CG-CE2 4Å; L371-F386 HydrophobicContact CB-CB 4.26Å; L371-F386 HydrophobicContact CB-CD2 4.26Å; L371-F386 HydrophobicContact CB-CG 4.16Å; L371-F386 HydrophobicContact CD1-CB 3.91Å; L371-F386 HydrophobicContact CG-CB 4.27Å; L371-L387 HydrophobicContact CD1-CD2 4.31Å; L371-W470 HydrophobicContact CB-CH2 4.07Å; L371-W470 HydrophobicContact CB-CZ2 4.42Å; L371-W470 HydrophobicContact CD1-CH2 3.56Å; L371-W470 HydrophobicContact CD1-CZ2 3.87Å; L371-W470 HydrophobicContact CD1-CZ3 4.49Å; L371-W470 HydrophobicContact CG-CH2 4.47Å; L371-N480 HydrophobicContact CD1-CB 4.11Å |
| 372 | L | 90.6 | Very high | 90.8 | Very high | 6 Ų | 6 | 46.4 Ų | 46.4 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.9 | -34.3 | 178.2 | -68.9 | -178.7 | 0 | 0 | 0 | 112.2 | T368 E369 A375 A376 T427 I429 Y446 | T368-L372 HydrophobicContact CG2-CD1 4.39Å; T368-L372 WeakPolarHBondContact O-CB 3.47Å; T368-L372 WeakPolarHBondContact O-CG 3.44Å; T368-L372 PolarHBondContact O-N 3.09Å; E369-L372 PolarHBondContact O-N 3.45Å; L372-A375 PolarHBondContact O-N 3.13Å; L372-A376 WeakPolarHBondContact O-CB 3.47Å; L372-A376 PolarHBondContact O-N 2.92Å; L372-T427 HydrophobicContact CD1-CG2 4.33Å; L372-I429 HydrophobicContact CD1-CD1 3.87Å; L372-I429 HydrophobicContact CD1-CG1 3.88Å; L372-Y446 HydrophobicContact CD1-CE2 3.96Å |
| 373 | A | 85.7 | Confident | 90.9 | Very high | 59 Ų | 59 | 42.8 Ų | 42.8 | 49% | 0.488 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.4 | -41.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E369 Q370 L371 A376 A377 | E369-A373 VanDerWaalsContact O-CB 3.26Å; E369-A373 WeakPolarHBondContact O-CB 3.24Å; E369-A373 PolarHBondContact O-N 3.23Å; Q370-A373 PolarHBondContact O-N 3.16Å; L371-A373 VanDerWaalsContact C-N 3.35Å; A373-A376 PolarHBondContact O-N 3.3Å; A373-A377 VanDerWaalsContact O-CB 3.29Å; A373-A377 WeakPolarHBondContact O-CB 3.39Å; A373-A377 PolarHBondContact O-N 3Å |
| 374 | A | 89.7 | Confident | 91 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 2% | 0.017 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61 | -44.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q370 L371 A377 G378 D379 L382 | Q370-A374 WeakPolarHBondContact O-CB 3.46Å; Q370-A374 PolarHBondContact O-N 3Å; L371-A374 PolarHBondContact O-N 3.46Å; A374-A377 PolarHBondContact O-N 3.19Å; A374-G378 PolarHBondContact O-N 3.15Å; A374-D379 PolarHBondContact O-N 2.86Å; A374-L382 HydrophobicContact CB-CB 4.04Å; A374-L382 HydrophobicContact CB-CD2 3.81Å; A374-L382 HydrophobicContact CB-CG 3.74Å |
| 375 | A | 88.6 | Confident | 91 | Very high | 3 Ų | 3 | 50 Ų | 50 | 3% | 0.025 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.8 | -48.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L371 L372 A377 G378 Y383 F413 L512 | L371-A375 PolarHBondContact O-N 3.48Å; L372-A375 PolarHBondContact O-N 3.13Å; A375-A377 VanDerWaalsContact C-N 3.26Å; A375-A377 PolarHBondContact O-N 3.39Å; A375-G378 PolarHBondContact O-N 3.39Å; A375-Y383 HydrophobicContact CB-CD2 4.11Å; A375-Y383 HydrophobicContact CB-CE2 4.27Å; A375-F413 HydrophobicContact CB-CZ 4.15Å; A375-L512 HydrophobicContact CB-CD2 4.18Å; A375-L512 VanDerWaalsContact O-CD2 3.26Å; A375-L512 WeakPolarHBondContact O-CD2 3.27Å |
| 376 | A | 82 | Confident | 91.2 | Very high | 37 Ų | 37 | 50 Ų | 50 | 31% | 0.306 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.7 | -28.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L372 A373 G378 | L372-A376 WeakPolarHBondContact O-CB 3.47Å; L372-A376 PolarHBondContact O-N 2.92Å; A373-A376 PolarHBondContact O-N 3.3Å; A376-G378 VanDerWaalsContact C-N 3.35Å |
| 377 | A | 83 | Confident | 91.3 | Very high | 80 Ų | 80 | 45.6 Ų | 45.6 | 66% | 0.661 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -80.1 | -12 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A373 A374 A375 D379 | A373-A377 VanDerWaalsContact O-CB 3.29Å; A373-A377 WeakPolarHBondContact O-CB 3.39Å; A373-A377 PolarHBondContact O-N 3Å; A374-A377 PolarHBondContact O-N 3.19Å; A375-A377 VanDerWaalsContact C-N 3.26Å; A375-A377 PolarHBondContact O-N 3.39Å; A377-D379 VanDerWaalsContact C-N 3.3Å |
| 378 | G | 86.9 | Confident | 91.1 | Very high | 28 Ų | 28 | 45.8 Ų | 45.8 | 29% | 0.289 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 18.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | A374 A375 A376 F380 | A374-G378 PolarHBondContact O-N 3.15Å; A375-G378 PolarHBondContact O-N 3.39Å; A376-G378 VanDerWaalsContact C-N 3.35Å; G378-F380 PolarHBondContact O-N 3.36Å |
| 379 | D | 90.4 | Very high | 90.7 | Very high | 69 Ų | 69 | 50.1 Ų | 50.1 | 37% | 0.369 | 29% | 0.286 | S | S | . | . | trans | -86.3 | 90.9 | 179.4 | -172.6 | -16.1 | 0 | 0 | 0 | 110.5 | A374 A377 E381 L382 Y383 | A374-D379 PolarHBondContact O-N 2.86Å; A377-D379 VanDerWaalsContact C-N 3.3Å; D379-E381 PolarHBondContact OD1-N 3.14Å; D379-L382 HydrophobicContact CB-CB 4.05Å; D379-L382 WeakPolarHBondContact OD1-CB 3.46Å; D379-L382 PolarHBondContact OD1-N 3.48Å; D379-L382 VanDerWaalsContact OD2-CB 3.27Å; D379-L382 WeakPolarHBondContact OD2-CB 3.36Å; D379-Y383 VanDerWaalsContact O-CB 3.29Å; D379-Y383 WeakPolarHBondContact O-CB 3.28Å; D379-Y383 PolarHBondContact O-N 2.9Å | ||
| 380 | F | 93.6 | Very high | 90.4 | Very high | 32 Ų | 32 | 52.6 Ų | 52.6 | 14% | 0.14 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.5 | -35 | -179.7 | -174.2 | -109.8 | 0 | 0 | 0 | 112.9 | G378 Y383 L384 A406 K410 F413 | G378-F380 PolarHBondContact O-N 3.36Å; F380-Y383 HydrophobicContact CD2-CD1 4.26Å; F380-Y383 HydrophobicContact CE2-CD1 4.33Å; F380-Y383 PolarHBondContact O-N 3.5Å; F380-L384 HydrophobicContact CE1-CD2 4.32Å; F380-L384 VanDerWaalsContact O-CB 3.25Å; F380-L384 WeakPolarHBondContact O-CB 3.47Å; F380-L384 PolarHBondContact O-N 3.45Å; F380-A406 HydrophobicContact CZ-CB 4.48Å; F380-K410 HydrophobicContact CD1-CG 4.42Å; F380-K410 HydrophobicContact CE1-CB 4.19Å; F380-K410 HydrophobicContact CE1-CD 4Å; F380-K410 HydrophobicContact CE1-CG 3.9Å; F380-K410 HydrophobicContact CE2-CB 3.85Å; F380-K410 HydrophobicContact CE2-CG 4.31Å; F380-K410 HydrophobicContact CZ-CB 3.6Å; F380-K410 HydrophobicContact CZ-CD 4.17Å; F380-K410 HydrophobicContact CZ-CG 3.84Å; F380-F413 HydrophobicContact CB-CB 3.96Å; F380-F413 HydrophobicContact CB-CD1 3.64Å; F380-F413 HydrophobicContact CB-CE1 4.24Å; F380-F413 HydrophobicContact CB-CG 3.86Å; F380-F413 HydrophobicContact CD2-CB 3.98Å; F380-F413 HydrophobicContact CD2-CD1 4.11Å; F380-F413 AromaticContact CD2-CD2 3.63Å; F380-F413 HydrophobicContact CD2-CD2 3.63Å; F380-F413 HydrophobicContact CD2-CE1 4.48Å; F380-F413 HydrophobicContact CD2-CE2 4.05Å; F380-F413 AromaticContact CD2-CG 3.65Å; F380-F413 HydrophobicContact CD2-CG 3.65Å; F380-F413 HydrophobicContact CD2-CZ 4.45Å; F380-F413 HydrophobicContact CE2-CD2 4.33Å; F380-F413 HydrophobicContact CG-CB 4.22Å; F380-F413 HydrophobicContact CG-CD1 4.37Å; F380-F413 HydrophobicContact CG-CG 4.17Å |
| 381 | E | 94.3 | Very high | 90.2 | Very high | 123 Ų | 123 | 47.6 Ų | 47.6 | 58% | 0.575 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -68.8 | -37.9 | -180 | -71.6 | -63.9 | 147.6 | 0 | 0 | 111.4 | D379 K385 | D379-E381 PolarHBondContact OD1-N 3.14Å; E381-K385 WeakPolarHBondContact O-CG 3.35Å; E381-K385 PolarHBondContact O-N 2.88Å |
| 382 | L | 93.6 | Very high | 89.6 | Confident | 65 Ų | 65 | 49.1 Ų | 49.1 | 34% | 0.34 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -72.3 | -40.9 | 171.5 | -176.3 | 60 | 0 | 0 | 0 | 111.9 | A374 D379 L384 K385 F386 | A374-L382 HydrophobicContact CB-CB 4.04Å; A374-L382 HydrophobicContact CB-CD2 3.81Å; A374-L382 HydrophobicContact CB-CG 3.74Å; D379-L382 HydrophobicContact CB-CB 4.05Å; D379-L382 WeakPolarHBondContact OD1-CB 3.46Å; D379-L382 PolarHBondContact OD1-N 3.48Å; D379-L382 VanDerWaalsContact OD2-CB 3.27Å; D379-L382 WeakPolarHBondContact OD2-CB 3.36Å; L382-L384 PolarHBondContact O-N 3.29Å; L382-K385 HydrophobicContact CD1-CD 4.42Å; L382-K385 WeakPolarHBondContact O-CB 3.29Å; L382-K385 PolarHBondContact O-N 3.34Å; L382-F386 HydrophobicContact CD1-CE2 4Å; L382-F386 HydrophobicContact CG-CE2 4.15Å; L382-F386 VanDerWaalsContact O-CD2 3.26Å; L382-F386 WeakPolarHBondContact O-CD2 3.44Å |
| 383 | Y | 93.6 | Very high | 89.5 | Confident | 10 Ų | 10 | 49 Ų | 49 | 4% | 0.039 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.3 | -46.3 | 175.8 | -179.7 | -105.9 | 0 | 0 | 0 | 111.7 | L371 A375 D379 F380 K385 F386 L387 H409 F413 | L371-Y383 HydrophobicContact CD2-CD2 4.24Å; L371-Y383 HydrophobicContact CD2-CE2 3.75Å; L371-Y383 HydrophobicContact CG-CD2 4.12Å; L371-Y383 HydrophobicContact CG-CE2 4Å; A375-Y383 HydrophobicContact CB-CD2 4.11Å; A375-Y383 HydrophobicContact CB-CE2 4.27Å; D379-Y383 VanDerWaalsContact O-CB 3.29Å; D379-Y383 WeakPolarHBondContact O-CB 3.28Å; D379-Y383 PolarHBondContact O-N 2.9Å; F380-Y383 HydrophobicContact CD2-CD1 4.26Å; F380-Y383 HydrophobicContact CE2-CD1 4.33Å; F380-Y383 PolarHBondContact O-N 3.5Å; Y383-K385 VanDerWaalsContact C-N 3.29Å; Y383-K385 PolarHBondContact O-N 3.17Å; Y383-F386 PolarHBondContact O-N 2.73Å; Y383-L387 HydrophobicContact CD1-CD1 4.13Å; Y383-L387 HydrophobicContact CE1-CD1 3.66Å; Y383-L387 HydrophobicContact CE1-CG 4.36Å; Y383-H409 HydrophobicContact CE1-CB 4.14Å; Y383-F413 AromaticContact CD1-CE2 3.73Å; Y383-F413 HydrophobicContact CD1-CE2 3.73Å; Y383-F413 AromaticContact CD1-CZ 3.72Å; Y383-F413 HydrophobicContact CD1-CZ 3.72Å; Y383-F413 AromaticContact CD2-CZ 3.96Å; Y383-F413 HydrophobicContact CD2-CZ 3.96Å; Y383-F413 AromaticContact CE1-CE2 3.95Å; Y383-F413 HydrophobicContact CE1-CE2 3.95Å; Y383-F413 HydrophobicContact CE1-CZ 4.27Å; Y383-F413 HydrophobicContact CE2-CZ 4.5Å; Y383-F413 HydrophobicContact CG-CE1 4.4Å; Y383-F413 HydrophobicContact CG-CE2 4.05Å; Y383-F413 AromaticContact CG-CZ 3.54Å; Y383-F413 HydrophobicContact CG-CZ 3.54Å |
| 384 | L | 94.6 | Very high | 89.5 | Confident | 70 Ų | 70 | 49 Ų | 49 | 37% | 0.366 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.3 | -33 | 179.5 | -172.7 | 64.4 | 0 | 0 | 0 | 112.7 | F380 L382 F386 L387 A406 | F380-L384 HydrophobicContact CE1-CD2 4.32Å; F380-L384 VanDerWaalsContact O-CB 3.25Å; F380-L384 WeakPolarHBondContact O-CB 3.47Å; F380-L384 PolarHBondContact O-N 3.45Å; L382-L384 PolarHBondContact O-N 3.29Å; L384-F386 PolarHBondContact O-N 3.18Å; L384-L387 PolarHBondContact O-N 3.29Å; L384-A406 HydrophobicContact CD1-CB 3.96Å |
| 385 | K | 94.1 | Very high | 89.4 | Confident | 137 Ų | 137 | 49 Ų | 49 | 60% | 0.596 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -19 | 174.4 | -73 | 167 | -168.1 | 165.5 | 0 | 113.8 | E381 L382 Y383 Q479 | E381-K385 WeakPolarHBondContact O-CG 3.35Å; E381-K385 PolarHBondContact O-N 2.88Å; L382-K385 HydrophobicContact CD1-CD 4.42Å; L382-K385 WeakPolarHBondContact O-CB 3.29Å; L382-K385 PolarHBondContact O-N 3.34Å; Y383-K385 VanDerWaalsContact C-N 3.29Å; Y383-K385 PolarHBondContact O-N 3.17Å; K385-Q479 PolarHBondContact O-NE2 3.1Å |
| 386 | F | 94.7 | Very high | 89.2 | Confident | 28 Ų | 28 | 51.6 Ų | 51.6 | 12% | 0.123 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -0.9 | 173.4 | -68.4 | -78.1 | 0 | 0 | 0 | 113.4 | Q370 L371 L382 Y383 L384 W470 Q479 N480 | Q370-F386 HydrophobicContact CB-CE1 4.2Å; Q370-F386 HydrophobicContact CB-CE2 4.16Å; Q370-F386 HydrophobicContact CB-CZ 3.57Å; L371-F386 HydrophobicContact CB-CB 4.26Å; L371-F386 HydrophobicContact CB-CD2 4.26Å; L371-F386 HydrophobicContact CB-CG 4.16Å; L371-F386 HydrophobicContact CD1-CB 3.91Å; L371-F386 HydrophobicContact CG-CB 4.27Å; L382-F386 HydrophobicContact CD1-CE2 4Å; L382-F386 HydrophobicContact CG-CE2 4.15Å; L382-F386 VanDerWaalsContact O-CD2 3.26Å; L382-F386 WeakPolarHBondContact O-CD2 3.44Å; Y383-F386 PolarHBondContact O-N 2.73Å; L384-F386 PolarHBondContact O-N 3.18Å; F386-W470 HydrophobicContact CB-CH2 4.22Å; F386-W470 HydrophobicContact CB-CZ3 4.26Å; F386-W470 HydrophobicContact CD1-CH2 4.09Å; F386-W470 HydrophobicContact CD1-CZ3 4.12Å; F386-W470 HydrophobicContact CG-CH2 4.49Å; F386-Q479 CarbonylContact O-C 3.57Å; F386-Q479 WeakPolarHBondContact O-CA 3.32Å; F386-N480 WeakPolarHBondContact O-CB 3.33Å; F386-N480 PolarHBondContact O-N 2.69Å |
| 387 | L | 94.3 | Very high | 89.3 | Confident | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.026 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 143.5 | -178.1 | -57.2 | -169.3 | 0 | 0 | 0 | 112.3 | L371 Y383 L384 F391 A406 Q479 N480 | L371-L387 HydrophobicContact CD1-CD2 4.31Å; Y383-L387 HydrophobicContact CD1-CD1 4.13Å; Y383-L387 HydrophobicContact CE1-CD1 3.66Å; Y383-L387 HydrophobicContact CE1-CG 4.36Å; L384-L387 PolarHBondContact O-N 3.29Å; L387-F391 HydrophobicContact CB-CB 4.31Å; L387-F391 HydrophobicContact CB-CD2 4.49Å; L387-F391 HydrophobicContact CB-CG 4.4Å; L387-F391 HydrophobicContact CD1-CD1 4.17Å; L387-F391 HydrophobicContact CD1-CD2 4.36Å; L387-F391 HydrophobicContact CD1-CE1 4.34Å; L387-F391 HydrophobicContact CD1-CG 4.17Å; L387-F391 HydrophobicContact CD1-CZ 4.48Å; L387-F391 HydrophobicContact CD2-CD2 3.85Å; L387-F391 HydrophobicContact CD2-CE2 3.88Å; L387-F391 HydrophobicContact CD2-CG 4.42Å; L387-F391 HydrophobicContact CD2-CZ 4.5Å; L387-F391 HydrophobicContact CG-CD2 4.46Å; L387-A406 HydrophobicContact CD1-CB 3.87Å; L387-Q479 PolarHBondContact O-OE1 2.93Å; L387-N480 HydrophobicContact CD2-CB 4.02Å |
| 388 | D | 91 | Very high | 89.1 | Confident | 11 Ų | 11 | 48.3 Ų | 48.3 | 6% | 0.059 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 153.2 | 168.4 | -163.3 | -71.3 | 0 | 0 | 0 | 111.3 | Q390 F391 R473 Q479 N480 V481 | D388-Q390 PolarHBondContact O-N 2.88Å; D388-Q390 PolarHBondContact OD1-N 3.19Å; D388-F391 WeakPolarHBondContact O-CB 3.39Å; D388-F391 PolarHBondContact O-N 3Å; D388-F391 VanDerWaalsContact O-N 3.07Å; D388-R473 IonicContact OD2-CZ 3.65Å; D388-R473 VanDerWaalsContact OD2-CZ 3.23Å; D388-R473 IonicContact OD2-NE 3.96Å; D388-R473 PolarHBondContact OD2-NE 3.21Å; D388-R473 IonicContact OD2-NH2 2.72Å; D388-R473 PolarHBondContact OD2-NH2 2.64Å; D388-Q479 HydrophobicContact CB-CB 4.31Å; D388-N480 PolarHBondContact N-O 3.03Å; D388-V481 HydrophobicContact CB-CB 4.36Å; D388-V481 HydrophobicContact CB-CG1 3.71Å |
| 389 | S | 87.3 | Confident | 88.9 | Confident | 92 Ų | 92 | 52.2 Ų | 52.2 | 64% | 0.643 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.4 | -31.7 | 171.5 | 39.9 | 0 | 0 | 0 | 0 | 114.3 | ||
| 390 | Q | 82.5 | Confident | 88.1 | Confident | 141 Ų | 141 | 51.5 Ų | 51.5 | 66% | 0.659 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 33.4 | 176.4 | -68.3 | 172.1 | 55.1 | 0 | 0 | 111 | D388 | D388-Q390 PolarHBondContact O-N 2.88Å; D388-Q390 PolarHBondContact OD1-N 3.19Å |
| 391 | F | 88.7 | Confident | 87.3 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 139 | 178.9 | 163.9 | -90.4 | 0 | 0 | 0 | 111.4 | L387 D388 G405 H409 N480 V481 V483 | L387-F391 HydrophobicContact CB-CB 4.31Å; L387-F391 HydrophobicContact CB-CD2 4.49Å; L387-F391 HydrophobicContact CB-CG 4.4Å; L387-F391 HydrophobicContact CD1-CD1 4.17Å; L387-F391 HydrophobicContact CD1-CD2 4.36Å; L387-F391 HydrophobicContact CD1-CE1 4.34Å; L387-F391 HydrophobicContact CD1-CG 4.17Å; L387-F391 HydrophobicContact CD1-CZ 4.48Å; L387-F391 HydrophobicContact CD2-CD2 3.85Å; L387-F391 HydrophobicContact CD2-CE2 3.88Å; L387-F391 HydrophobicContact CD2-CG 4.42Å; L387-F391 HydrophobicContact CD2-CZ 4.5Å; L387-F391 HydrophobicContact CG-CD2 4.46Å; D388-F391 WeakPolarHBondContact O-CB 3.39Å; D388-F391 PolarHBondContact O-N 3Å; D388-F391 VanDerWaalsContact O-N 3.07Å; F391-G405 WeakPolarHBondContact CD1-O 3.17Å; F391-G405 PolarHBondContact O-N 3.28Å; F391-H409 AromaticContact CE1-CE1 3.39Å; F391-H409 WeakPolarHBondContact CE1-CE1 3.38Å; F391-H409 AromaticContact CE1-ND1 3.52Å; F391-H409 AromaticContact CZ-CE1 3.51Å; F391-H409 AromaticContact CZ-ND1 3.93Å; F391-N480 WeakPolarHBondContact CD2-O 3.43Å; F391-V481 WeakPolarHBondContact CA-O 3.4Å; F391-V483 HydrophobicContact CE2-CB 4.38Å; F391-V483 HydrophobicContact CE2-CG1 3.79Å; F391-V483 HydrophobicContact CZ-CG1 3.55Å |
| 392 | T | 83.4 | Confident | 86.3 | Confident | 32 Ų | 32 | 53.9 Ų | 53.9 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 146.3 | 178.1 | 52.4 | 0 | 0 | 0 | 0 | 112.7 | L403 E404 V481 H482 V483 | T392-L403 CarbonylContact C-O 3.52Å; T392-L403 VanDerWaalsContact CA-O 3.28Å; T392-L403 WeakPolarHBondContact CA-O 3.33Å; T392-E404 HydrophobicContact CG2-CG 4.44Å; T392-V481 PolarHBondContact N-O 2.81Å; T392-V481 PolarHBondContact OG1-O 3.43Å; T392-H482 WeakPolarHBondContact O-CA 3.39Å; T392-H482 PolarHBondContact O-ND1 3.35Å; T392-H482 PolarHBondContact OG1-ND1 3.46Å; T392-V483 PolarHBondContact O-N 3.35Å |
| 393 | Y | 88 | Confident | 85.8 | Confident | 3 Ų | 3 | 52.9 Ų | 52.9 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 132.6 | -174.7 | 174.1 | -95.3 | 0 | 0 | 0 | 111.9 | E397 A398 L403 F408 H409 V483 R485 | Y393-E397 PolarHBondContact OH-OE2 1.9Å; Y393-A398 HydrophobicContact CD1-CB 4.07Å; Y393-A398 HydrophobicContact CE1-CB 3.9Å; Y393-L403 HydrophobicContact CD1-CB 4.43Å; Y393-L403 HydrophobicContact CD1-CD1 3.92Å; Y393-L403 HydrophobicContact CD1-CG 4.25Å; Y393-L403 HydrophobicContact CE1-CD1 4.48Å; Y393-L403 PolarHBondContact N-O 3.33Å; Y393-L403 PolarHBondContact O-N 2.97Å; Y393-F408 HydrophobicContact CD1-CD1 4.27Å; Y393-F408 HydrophobicContact CD1-CE1 4.37Å; Y393-F408 HydrophobicContact CE1-CD1 4.23Å; Y393-F408 AromaticContact CE1-CE1 3.9Å; Y393-F408 HydrophobicContact CE1-CE1 3.9Å; Y393-H409 AromaticContact CD2-CE1 3.31Å; Y393-H409 WeakPolarHBondContact CD2-CE1 3.45Å; Y393-H409 AromaticContact CD2-NE2 3.12Å; Y393-H409 WeakPolarHBondContact CD2-NE2 3.19Å; Y393-H409 AromaticContact CE2-CE1 3.99Å; Y393-H409 AromaticContact CE2-NE2 3.32Å; Y393-H409 VanDerWaalsContact CE2-NE2 3.32Å; Y393-H409 WeakPolarHBondContact CE2-NE2 3.34Å; Y393-H409 AromaticContact CG-CE1 3.68Å; Y393-H409 AromaticContact CG-NE2 3.74Å; Y393-V483 HydrophobicContact CD2-CG1 3.5Å; Y393-V483 VanDerWaalsContact CD2-CG1 3.5Å; Y393-V483 HydrophobicContact CE2-CG1 4.21Å; Y393-V483 HydrophobicContact CG-CG1 4.42Å; Y393-R485 PolarHBondContact OH-NH1 3.47Å |
| 394 | F | 86.4 | Confident | 85.3 | Confident | 59 Ų | 59 | 59.5 Ų | 59.5 | 26% | 0.259 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 129.5 | 165.4 | -162.7 | -81.2 | 0 | 0 | 0 | 109.4 | G400 N401 L402 V483 H484 R485 | F394-G400 WeakPolarHBondContact CE2-O 3.44Å; F394-N401 WeakPolarHBondContact CD2-O 3.3Å; F394-L402 HydrophobicContact CB-CD1 4.21Å; F394-L402 HydrophobicContact CD2-CB 4.38Å; F394-L402 HydrophobicContact CD2-CD1 4.35Å; F394-V483 PolarHBondContact N-O 2.64Å; F394-H484 AromaticContact CD1-CD2 3.53Å; F394-H484 AromaticContact CD1-NE2 3.5Å; F394-H484 AromaticContact CE1-NE2 3.97Å; F394-H484 CarbonylContact O-C 3.55Å; F394-H484 VanDerWaalsContact O-CA 3.29Å; F394-H484 WeakPolarHBondContact O-CA 3.46Å; F394-R485 PolarHBondContact O-N 3.22Å |
| 395 | G | 87.1 | Confident | 85 | Confident | 4 Ų | 4 | 57 Ų | 57 | 4% | 0.041 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -173 | 176.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | E397 A398 R485 | G395-E397 PolarHBondContact O-N 3.13Å; G395-A398 WeakPolarHBondContact O-CB 3.33Å; G395-A398 PolarHBondContact O-N 3.21Å; G395-R485 WeakPolarHBondContact CA-O 3.49Å |
| 396 | P | 82.9 | Confident | 84.8 | Confident | 56 Ų | 56 | 51.2 Ų | 51.2 | 36% | 0.364 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -52.6 | -41.8 | -178.5 | -25.1 | 32.3 | 0 | 0 | 0 | 112.9 | A398 C399 R485 C487 | P396-A398 VanDerWaalsContact C-N 3.25Å; P396-A398 PolarHBondContact O-N 3.26Å; P396-C399 PolarHBondContact O-N 2.82Å; P396-C399 VanDerWaalsContact O-N 3.08Å; P396-R485 WeakPolarHBondContact CD-O 3.47Å; P396-C487 HydrophobicContact CG-CB 4.33Å |
| 397 | E | 84.9 | Confident | 84.7 | Confident | 42 Ų | 42 | 55.9 Ų | 55.9 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -70.8 | -18.1 | -177.8 | -55.7 | 90.5 | 154.4 | 0 | 0 | 113.2 | Y393 G395 C399 F408 Y412 R485 | Y393-E397 PolarHBondContact OH-OE2 1.9Å; G395-E397 PolarHBondContact O-N 3.13Å; E397-C399 VanDerWaalsContact C-N 3.27Å; E397-F408 HydrophobicContact CB-CE1 3.92Å; E397-F408 HydrophobicContact CB-CZ 3.76Å; E397-F408 WeakPolarHBondContact O-CZ 3.39Å; E397-Y412 WeakPolarHBondContact CB-OH 3.46Å; E397-R485 IonicContact OE1-CZ 2.63Å; E397-R485 IonicContact OE1-NH1 3.97Å; E397-R485 PolarHBondContact OE1-NH1 3.06Å; E397-R485 IonicContact OE1-NH2 3.82Å; E397-R485 IonicContact OE2-NH1 3.17Å; E397-R485 PolarHBondContact OE2-NH1 3.08Å |
| 398 | A | 79.8 | Confident | 84.5 | Confident | 6 Ų | 6 | 58.7 Ų | 58.7 | 5% | 0.05 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -83.2 | -0.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y393 G395 P396 G400 N401 L403 | Y393-A398 HydrophobicContact CD1-CB 4.07Å; Y393-A398 HydrophobicContact CE1-CB 3.9Å; G395-A398 WeakPolarHBondContact O-CB 3.33Å; G395-A398 PolarHBondContact O-N 3.21Å; P396-A398 VanDerWaalsContact C-N 3.25Å; P396-A398 PolarHBondContact O-N 3.26Å; A398-G400 PolarHBondContact O-N 3.2Å; A398-N401 VanDerWaalsContact CB-O 3.25Å; A398-N401 WeakPolarHBondContact CB-O 3.38Å; A398-N401 WeakPolarHBondContact O-CB 3.48Å; A398-N401 PolarHBondContact O-N 3.13Å; A398-N401 PolarHBondContact O-ND2 2.94Å; A398-L403 HydrophobicContact CB-CD1 3.78Å; A398-L403 HydrophobicContact CB-CD2 4.3Å; A398-L403 HydrophobicContact CB-CG 3.78Å |
| 399 | C | 82 | Confident | 84.5 | Confident | 111 Ų | 111 | 59.1 Ų | 59.1 | 75% | 0.75 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 39.5 | 179.6 | -62.8 | 0 | 0 | 0 | 0 | 113.6 | P396 E397 | P396-C399 PolarHBondContact O-N 2.82Å; P396-C399 VanDerWaalsContact O-N 3.08Å; E397-C399 VanDerWaalsContact C-N 3.27Å |
| 400 | G | 73.7 | Confident | 84.8 | Confident | 53 Ų | 53 | 58.4 Ų | 58.4 | 55% | 0.546 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | F394 A398 | F394-G400 WeakPolarHBondContact CE2-O 3.44Å; A398-G400 PolarHBondContact O-N 3.2Å |
| 401 | N | 75.9 | Confident | 85.2 | Confident | 96 Ų | 96 | 56.9 Ų | 56.9 | 51% | 0.513 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -89.5 | 155.3 | 173.7 | -58 | -76.5 | 0 | 0 | 0 | 111.5 | F394 A398 L403 | F394-N401 WeakPolarHBondContact CD2-O 3.3Å; A398-N401 VanDerWaalsContact CB-O 3.25Å; A398-N401 WeakPolarHBondContact CB-O 3.38Å; A398-N401 WeakPolarHBondContact O-CB 3.48Å; A398-N401 PolarHBondContact O-N 3.13Å; A398-N401 PolarHBondContact O-ND2 2.94Å; N401-L403 HydrophobicContact CB-CD2 4.24Å |
| 402 | L | 74.9 | Confident | 85.2 | Confident | 110 Ų | 110 | 58.7 Ų | 58.7 | 58% | 0.576 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 125.7 | 163.1 | -174.9 | 71.4 | 0 | 0 | 0 | 107.9 | F394 | F394-L402 HydrophobicContact CB-CD1 4.21Å; F394-L402 HydrophobicContact CD2-CB 4.38Å; F394-L402 HydrophobicContact CD2-CD1 4.35Å |
| 403 | L | 81.9 | Confident | 85.5 | Confident | 44 Ų | 44 | 58 Ų | 58 | 23% | 0.23 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 148.2 | 175.5 | -49.9 | -177.1 | 0 | 0 | 0 | 109.9 | T392 Y393 A398 N401 F408 | T392-L403 CarbonylContact C-O 3.52Å; T392-L403 VanDerWaalsContact CA-O 3.28Å; T392-L403 WeakPolarHBondContact CA-O 3.33Å; Y393-L403 HydrophobicContact CD1-CB 4.43Å; Y393-L403 HydrophobicContact CD1-CD1 3.92Å; Y393-L403 HydrophobicContact CD1-CG 4.25Å; Y393-L403 HydrophobicContact CE1-CD1 4.48Å; Y393-L403 PolarHBondContact N-O 3.33Å; Y393-L403 PolarHBondContact O-N 2.97Å; A398-L403 HydrophobicContact CB-CD1 3.78Å; A398-L403 HydrophobicContact CB-CD2 4.3Å; A398-L403 HydrophobicContact CB-CG 3.78Å; N401-L403 HydrophobicContact CB-CD2 4.24Å; L403-F408 HydrophobicContact CD1-CB 3.82Å; L403-F408 HydrophobicContact CD1-CD1 3.48Å; L403-F408 VanDerWaalsContact CD1-CD1 3.48Å; L403-F408 HydrophobicContact CD1-CD2 3.57Å; L403-F408 HydrophobicContact CD1-CE1 3.85Å; L403-F408 HydrophobicContact CD1-CE2 3.94Å; L403-F408 HydrophobicContact CD1-CG 3.31Å; L403-F408 HydrophobicContact CD1-CZ 4.07Å |
| 404 | E | 83.7 | Confident | 85.5 | Confident | 149 Ų | 149 | 62.7 Ų | 62.7 | 70% | 0.696 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 144 | 176.3 | -171.7 | 176.2 | 175.3 | 0 | 0 | 109.5 | T392 | T392-E404 HydrophobicContact CG2-CG 4.44Å |
| 405 | G | 87.7 | Confident | 85.5 | Confident | 18 Ų | 18 | 63.6 Ų | 63.6 | 19% | 0.186 | 34% | 0.343 | C | S | . | . | S | Bend | trans | 79.2 | 175.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | F391 | F391-G405 WeakPolarHBondContact CD1-O 3.17Å; F391-G405 PolarHBondContact O-N 3.28Å |
| 406 | A | 91.3 | Very high | 85.3 | Confident | 15 Ų | 15 | 66.4 Ų | 66.4 | 12% | 0.124 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -97.9 | -3.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | F380 L384 L387 F408 H409 K410 | F380-A406 HydrophobicContact CZ-CB 4.48Å; L384-A406 HydrophobicContact CD1-CB 3.96Å; L387-A406 HydrophobicContact CD1-CB 3.87Å; A406-F408 VanDerWaalsContact C-N 3.27Å; A406-F408 PolarHBondContact O-N 2.91Å; A406-H409 WeakPolarHBondContact O-CA 3.23Å; A406-H409 WeakPolarHBondContact O-CB 3.46Å; A406-H409 PolarHBondContact O-N 3.47Å; A406-K410 PolarHBondContact O-N 3.31Å |
| 407 | D | 90.6 | Very high | 85.2 | Confident | 126 Ų | 126 | 65.4 Ų | 65.4 | 67% | 0.674 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -60.8 | -35 | -174.9 | -68.3 | -35.5 | 0 | 0 | 0 | 113 | H409 K410 F411 | D407-H409 VanDerWaalsContact C-N 3.33Å; D407-H409 PolarHBondContact O-N 2.91Å; D407-K410 WeakPolarHBondContact O-CB 3.41Å; D407-K410 PolarHBondContact O-N 2.42Å; D407-F411 PolarHBondContact O-N 3.34Å |
| 408 | F | 91 | Very high | 84.9 | Confident | 64 Ų | 64 | 67.8 Ų | 67.8 | 28% | 0.281 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.6 | -40.5 | 172.6 | -176.5 | -103.5 | 0 | 0 | 0 | 112.2 | Y393 E397 L403 A406 Y412 | Y393-F408 HydrophobicContact CD1-CD1 4.27Å; Y393-F408 HydrophobicContact CD1-CE1 4.37Å; Y393-F408 HydrophobicContact CE1-CD1 4.23Å; Y393-F408 AromaticContact CE1-CE1 3.9Å; Y393-F408 HydrophobicContact CE1-CE1 3.9Å; E397-F408 HydrophobicContact CB-CE1 3.92Å; E397-F408 HydrophobicContact CB-CZ 3.76Å; E397-F408 WeakPolarHBondContact O-CZ 3.39Å; L403-F408 HydrophobicContact CD1-CB 3.82Å; L403-F408 HydrophobicContact CD1-CD1 3.48Å; L403-F408 VanDerWaalsContact CD1-CD1 3.48Å; L403-F408 HydrophobicContact CD1-CD2 3.57Å; L403-F408 HydrophobicContact CD1-CE1 3.85Å; L403-F408 HydrophobicContact CD1-CE2 3.94Å; L403-F408 HydrophobicContact CD1-CG 3.31Å; L403-F408 HydrophobicContact CD1-CZ 4.07Å; A406-F408 VanDerWaalsContact C-N 3.27Å; A406-F408 PolarHBondContact O-N 2.91Å; F408-Y412 HydrophobicContact CD1-CE2 4.16Å; F408-Y412 AromaticContact CE1-CE2 3.65Å; F408-Y412 HydrophobicContact CE1-CE2 3.65Å; F408-Y412 HydrophobicContact CE2-CE2 4.36Å; F408-Y412 AromaticContact CZ-CE2 3.76Å; F408-Y412 HydrophobicContact CZ-CE2 3.76Å; F408-Y412 VanDerWaalsContact O-CD2 3.31Å; F408-Y412 WeakPolarHBondContact O-CD2 3.25Å |
| 409 | H | 91.7 | Very high | 84.9 | Confident | 19 Ų | 19 | 74 Ų | 74 | 9% | 0.088 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -70.2 | -39.4 | 175.3 | -66 | 120 | 0 | 0 | 0 | 112 | Y383 F391 Y393 A406 D407 F411 Y412 F413 | Y383-H409 HydrophobicContact CE1-CB 4.14Å; F391-H409 AromaticContact CE1-CE1 3.39Å; F391-H409 WeakPolarHBondContact CE1-CE1 3.38Å; F391-H409 AromaticContact CE1-ND1 3.52Å; F391-H409 AromaticContact CZ-CE1 3.51Å; F391-H409 AromaticContact CZ-ND1 3.93Å; Y393-H409 AromaticContact CD2-CE1 3.31Å; Y393-H409 WeakPolarHBondContact CD2-CE1 3.45Å; Y393-H409 AromaticContact CD2-NE2 3.12Å; Y393-H409 WeakPolarHBondContact CD2-NE2 3.19Å; Y393-H409 AromaticContact CE2-CE1 3.99Å; Y393-H409 AromaticContact CE2-NE2 3.32Å; Y393-H409 VanDerWaalsContact CE2-NE2 3.32Å; Y393-H409 WeakPolarHBondContact CE2-NE2 3.34Å; Y393-H409 AromaticContact CG-CE1 3.68Å; Y393-H409 AromaticContact CG-NE2 3.74Å; A406-H409 WeakPolarHBondContact O-CA 3.23Å; A406-H409 WeakPolarHBondContact O-CB 3.46Å; A406-H409 PolarHBondContact O-N 3.47Å; D407-H409 VanDerWaalsContact C-N 3.33Å; D407-H409 PolarHBondContact O-N 2.91Å; H409-F411 PolarHBondContact O-N 3.05Å; H409-Y412 WeakPolarHBondContact O-CA 3.49Å; H409-Y412 WeakPolarHBondContact O-CB 3.33Å; H409-Y412 PolarHBondContact O-N 2.83Å; H409-F413 WeakPolarHBondContact O-CD2 3.5Å; H409-F413 PolarHBondContact O-N 3.4Å |
| 410 | K | 92.8 | Very high | 84.4 | Confident | 77 Ų | 77 | 70.5 Ų | 70.5 | 34% | 0.335 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -51.9 | -39.9 | 178.4 | -173.1 | 175.4 | 171.7 | 176.3 | 0 | 112.1 | F380 A406 D407 Y412 F413 E414 | F380-K410 HydrophobicContact CD1-CG 4.42Å; F380-K410 HydrophobicContact CE1-CB 4.19Å; F380-K410 HydrophobicContact CE1-CD 4Å; F380-K410 HydrophobicContact CE1-CG 3.9Å; F380-K410 HydrophobicContact CE2-CB 3.85Å; F380-K410 HydrophobicContact CE2-CG 4.31Å; F380-K410 HydrophobicContact CZ-CB 3.6Å; F380-K410 HydrophobicContact CZ-CD 4.17Å; F380-K410 HydrophobicContact CZ-CG 3.84Å; A406-K410 PolarHBondContact O-N 3.31Å; D407-K410 WeakPolarHBondContact O-CB 3.41Å; D407-K410 PolarHBondContact O-N 2.42Å; K410-Y412 VanDerWaalsContact C-N 3.3Å; K410-Y412 PolarHBondContact O-N 3.25Å; K410-F413 PolarHBondContact O-N 3.36Å; K410-E414 VanDerWaalsContact CE-CD 3.49Å; K410-E414 WeakPolarHBondContact CE-OE1 3.38Å; K410-E414 HydrophobicContact CG-CG 4.23Å; K410-E414 IonicContact NZ-OE1 3.55Å; K410-E414 PolarHBondContact O-N 3Å |
| 411 | F | 90.9 | Very high | 84.1 | Confident | 109 Ų | 109 | 72.5 Ų | 72.5 | 48% | 0.478 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -54.1 | -41.5 | 173 | 176.3 | -96.8 | 0 | 0 | 0 | 113.3 | D407 H409 Q415 I416 | D407-F411 PolarHBondContact O-N 3.34Å; H409-F411 PolarHBondContact O-N 3.05Å; F411-Q415 HydrophobicContact CD2-CB 4.16Å; F411-Q415 HydrophobicContact CD2-CG 3.86Å; F411-Q415 HydrophobicContact CE2-CB 3.94Å; F411-Q415 HydrophobicContact CE2-CG 3.86Å; F411-Q415 HydrophobicContact CZ-CB 4.2Å; F411-Q415 WeakPolarHBondContact O-CA 3.39Å; F411-Q415 VanDerWaalsContact O-CB 3.22Å; F411-Q415 WeakPolarHBondContact O-CB 2.81Å; F411-Q415 PolarHBondContact O-N 2.96Å; F411-I416 HydrophobicContact CD1-CG1 4.38Å; F411-I416 HydrophobicContact CE1-CD1 4.01Å; F411-I416 HydrophobicContact CE1-CG1 4Å; F411-I416 HydrophobicContact CZ-CD1 4.41Å |
| 412 | Y | 87.9 | Confident | 83.6 | Confident | 39 Ų | 39 | 68.7 Ų | 68.7 | 15% | 0.153 | 35% | 0.351 | C | S | . | . | I | π-helix | trans | -68.3 | -43 | 177.8 | -69.7 | -86.4 | 0 | 0 | 0 | 112.3 | E397 F408 H409 K410 I416 I417 P511 | E397-Y412 WeakPolarHBondContact CB-OH 3.46Å; F408-Y412 HydrophobicContact CD1-CE2 4.16Å; F408-Y412 AromaticContact CE1-CE2 3.65Å; F408-Y412 HydrophobicContact CE1-CE2 3.65Å; F408-Y412 HydrophobicContact CE2-CE2 4.36Å; F408-Y412 AromaticContact CZ-CE2 3.76Å; F408-Y412 HydrophobicContact CZ-CE2 3.76Å; F408-Y412 VanDerWaalsContact O-CD2 3.31Å; F408-Y412 WeakPolarHBondContact O-CD2 3.25Å; H409-Y412 WeakPolarHBondContact O-CA 3.49Å; H409-Y412 WeakPolarHBondContact O-CB 3.33Å; H409-Y412 PolarHBondContact O-N 2.83Å; K410-Y412 VanDerWaalsContact C-N 3.3Å; K410-Y412 PolarHBondContact O-N 3.25Å; Y412-I416 HydrophobicContact CD1-CB 4.09Å; Y412-I416 HydrophobicContact CD1-CG1 3.74Å; Y412-I416 HydrophobicContact CD1-CG2 4.33Å; Y412-I416 HydrophobicContact CE1-CG1 4.25Å; Y412-I416 HydrophobicContact CG-CG1 4.42Å; Y412-I416 WeakPolarHBondContact O-CB 3.45Å; Y412-I416 PolarHBondContact O-N 3.48Å; Y412-I416 VanDerWaalsContact O-N 3.08Å; Y412-I417 PolarHBondContact O-N 2.88Å; Y412-P511 HydrophobicContact CD1-CB 3.63Å; Y412-P511 HydrophobicContact CD1-CG 3.58Å; Y412-P511 HydrophobicContact CE1-CB 3.37Å; Y412-P511 HydrophobicContact CE1-CG 3.62Å |
| 413 | F | 89.7 | Confident | 82.9 | Confident | 19 Ų | 19 | 75.2 Ų | 75.2 | 8% | 0.083 | 37% | 0.368 | C | S | . | . | I | π-helix | trans | -65.2 | -36.9 | 177.2 | -78.2 | -100.6 | 0 | 0 | 0 | 113 | A375 F380 Y383 H409 K410 I417 P418 | A375-F413 HydrophobicContact CB-CZ 4.15Å; F380-F413 HydrophobicContact CB-CB 3.96Å; F380-F413 HydrophobicContact CB-CD1 3.64Å; F380-F413 HydrophobicContact CB-CE1 4.24Å; F380-F413 HydrophobicContact CB-CG 3.86Å; F380-F413 HydrophobicContact CD2-CB 3.98Å; F380-F413 HydrophobicContact CD2-CD1 4.11Å; F380-F413 AromaticContact CD2-CD2 3.63Å; F380-F413 HydrophobicContact CD2-CD2 3.63Å; F380-F413 HydrophobicContact CD2-CE1 4.48Å; F380-F413 HydrophobicContact CD2-CE2 4.05Å; F380-F413 AromaticContact CD2-CG 3.65Å; F380-F413 HydrophobicContact CD2-CG 3.65Å; F380-F413 HydrophobicContact CD2-CZ 4.45Å; F380-F413 HydrophobicContact CE2-CD2 4.33Å; F380-F413 HydrophobicContact CG-CB 4.22Å; F380-F413 HydrophobicContact CG-CD1 4.37Å; F380-F413 HydrophobicContact CG-CG 4.17Å; Y383-F413 AromaticContact CD1-CE2 3.73Å; Y383-F413 HydrophobicContact CD1-CE2 3.73Å; Y383-F413 AromaticContact CD1-CZ 3.72Å; Y383-F413 HydrophobicContact CD1-CZ 3.72Å; Y383-F413 AromaticContact CD2-CZ 3.96Å; Y383-F413 HydrophobicContact CD2-CZ 3.96Å; Y383-F413 AromaticContact CE1-CE2 3.95Å; Y383-F413 HydrophobicContact CE1-CE2 3.95Å; Y383-F413 HydrophobicContact CE1-CZ 4.27Å; Y383-F413 HydrophobicContact CE2-CZ 4.5Å; Y383-F413 HydrophobicContact CG-CE1 4.4Å; Y383-F413 HydrophobicContact CG-CE2 4.05Å; Y383-F413 AromaticContact CG-CZ 3.54Å; Y383-F413 HydrophobicContact CG-CZ 3.54Å; H409-F413 WeakPolarHBondContact O-CD2 3.5Å; H409-F413 PolarHBondContact O-N 3.4Å; K410-F413 PolarHBondContact O-N 3.36Å; F413-I417 HydrophobicContact CD1-CD1 4.19Å; F413-I417 HydrophobicContact CE1-CD1 4.49Å; F413-I417 HydrophobicContact CG-CD1 4.22Å; F413-P418 WeakPolarHBondContact O-CD 3.21Å; F413-P418 WeakPolarHBondContact O-CG 3.28Å |
| 414 | E | 89.2 | Confident | 82.1 | Confident | 101 Ų | 101 | 75.7 Ų | 75.7 | 47% | 0.472 | 38% | 0.378 | S | S | . | . | I | π-helix | trans | -86.8 | -37.6 | -179.2 | -68 | -177.2 | 162.8 | 0 | 0 | 113.5 | K410 | K410-E414 VanDerWaalsContact CE-CD 3.49Å; K410-E414 WeakPolarHBondContact CE-OE1 3.38Å; K410-E414 HydrophobicContact CG-CG 4.23Å; K410-E414 IonicContact NZ-OE1 3.55Å; K410-E414 PolarHBondContact O-N 3Å |
| 415 | Q | 85.7 | Confident | 81.5 | Confident | 78 Ų | 78 | 70.8 Ų | 70.8 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | I | π-helix | trans | -111.6 | -22.4 | -166.3 | -57.4 | -58.7 | -30.8 | 0 | 0 | 115.1 | F411 K419 | F411-Q415 HydrophobicContact CD2-CB 4.16Å; F411-Q415 HydrophobicContact CD2-CG 3.86Å; F411-Q415 HydrophobicContact CE2-CB 3.94Å; F411-Q415 HydrophobicContact CE2-CG 3.86Å; F411-Q415 HydrophobicContact CZ-CB 4.2Å; F411-Q415 WeakPolarHBondContact O-CA 3.39Å; F411-Q415 VanDerWaalsContact O-CB 3.22Å; F411-Q415 WeakPolarHBondContact O-CB 2.81Å; F411-Q415 PolarHBondContact O-N 2.96Å; Q415-K419 VanDerWaalsContact O-CD 3.27Å; Q415-K419 WeakPolarHBondContact O-CD 3.36Å; Q415-K419 WeakPolarHBondContact O-CE 3.27Å; Q415-K419 PolarHBondContact O-NZ 3.45Å |
| 416 | I | 82.6 | Confident | 80.7 | Confident | 62 Ų | 62 | 75.2 Ų | 75.2 | 32% | 0.318 | 37% | 0.372 | S | S | . | . | I | π-helix | trans | -109.4 | -57.6 | -172.9 | -53.7 | -60.3 | 0 | 0 | 0 | 111.3 | F411 Y412 K419 S420 P511 | F411-I416 HydrophobicContact CD1-CG1 4.38Å; F411-I416 HydrophobicContact CE1-CD1 4.01Å; F411-I416 HydrophobicContact CE1-CG1 4Å; F411-I416 HydrophobicContact CZ-CD1 4.41Å; Y412-I416 HydrophobicContact CD1-CB 4.09Å; Y412-I416 HydrophobicContact CD1-CG1 3.74Å; Y412-I416 HydrophobicContact CD1-CG2 4.33Å; Y412-I416 HydrophobicContact CE1-CG1 4.25Å; Y412-I416 HydrophobicContact CG-CG1 4.42Å; Y412-I416 WeakPolarHBondContact O-CB 3.45Å; Y412-I416 PolarHBondContact O-N 3.48Å; Y412-I416 VanDerWaalsContact O-N 3.08Å; I416-K419 PolarHBondContact O-N 3.32Å; I416-K419 VanDerWaalsContact O-N 3.13Å; I416-S420 PolarHBondContact O-N 3.39Å; I416-P511 HydrophobicContact CG2-CG 3.92Å |
| 417 | I | 81 | Confident | 79.9 | Confident | 36 Ų | 36 | 76.1 Ų | 76.1 | 19% | 0.185 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -56.8 | -45.9 | -178.3 | -61.7 | 174 | 0 | 0 | 0 | 112 | Y412 F413 K419 S420 L512 | Y412-I417 PolarHBondContact O-N 2.88Å; F413-I417 HydrophobicContact CD1-CD1 4.19Å; F413-I417 HydrophobicContact CE1-CD1 4.49Å; F413-I417 HydrophobicContact CG-CD1 4.22Å; I417-K419 PolarHBondContact O-N 2.81Å; I417-S420 WeakPolarHBondContact O-CB 3.21Å; I417-S420 PolarHBondContact O-N 3.28Å; I417-S420 VanDerWaalsContact O-N 3.08Å; I417-L512 HydrophobicContact CD1-CD2 3.64Å; I417-L512 HydrophobicContact CD1-CG 4.19Å; I417-L512 HydrophobicContact CG1-CD2 4.38Å; I417-L512 HydrophobicContact CG1-CG 4.4Å |
| 418 | P | 79 | Confident | 79.1 | Confident | 91 Ų | 91 | 71.6 Ų | 71.6 | 59% | 0.591 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -69.7 | -16.9 | -178.4 | -21 | 35.6 | 0 | 0 | 0 | 114.1 | F413 | F413-P418 WeakPolarHBondContact O-CD 3.21Å; F413-P418 WeakPolarHBondContact O-CG 3.28Å |
| 419 | K | 78.7 | Confident | 78.7 | Confident | 136 Ų | 136 | 70.3 Ų | 70.3 | 59% | 0.591 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -99.3 | 4.8 | 177.1 | -56.1 | -177.3 | -162.7 | 133.9 | 0 | 112.1 | Q415 I416 I417 V421 | Q415-K419 VanDerWaalsContact O-CD 3.27Å; Q415-K419 WeakPolarHBondContact O-CD 3.36Å; Q415-K419 WeakPolarHBondContact O-CE 3.27Å; Q415-K419 PolarHBondContact O-NZ 3.45Å; I416-K419 PolarHBondContact O-N 3.32Å; I416-K419 VanDerWaalsContact O-N 3.13Å; I417-K419 PolarHBondContact O-N 2.81Å; K419-V421 PolarHBondContact O-N 3.17Å |
| 420 | S | 71.7 | Confident | 78.1 | Confident | 39 Ų | 39 | 72.7 Ų | 72.7 | 27% | 0.273 | 36% | 0.363 | S | S | . | . | trans | -58.9 | 130.8 | 173 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | I416 I417 V422 Y510 | I416-S420 PolarHBondContact O-N 3.39Å; I417-S420 WeakPolarHBondContact O-CB 3.21Å; I417-S420 PolarHBondContact O-N 3.28Å; I417-S420 VanDerWaalsContact O-N 3.08Å; S420-V422 VanDerWaalsContact C-N 3.34Å; S420-V422 WeakPolarHBondContact OG-CB 3.48Å; S420-V422 PolarHBondContact OG-N 3.14Å; S420-V422 PolarHBondContact OG-O 3.19Å; S420-Y510 PolarHBondContact OG-OH 3.41Å | ||
| 421 | V | 67.9 | Low | 77.5 | Confident | 94 Ų | 94 | 75.5 Ų | 75.5 | 57% | 0.57 | 38% | 0.381 | S | S | * | . | trans | -90.2 | -1.4 | 164.7 | -81.8 | 0 | 0 | 0 | 0 | 112.8 | K419 R423 K455 | K419-V421 PolarHBondContact O-N 3.17Å; V421-R423 PolarHBondContact O-N 2.7Å; V421-K455 HydrophobicContact CB-CB 4.29Å; V421-K455 HydrophobicContact CG2-CB 3.82Å | ||
| 422 | V | 65.9 | Low | 77.4 | Confident | 17 Ų | 17 | 72.8 Ų | 72.8 | 10% | 0.103 | 38% | 0.375 | C | S | . | . | trans | -80.4 | 114.2 | 177.4 | 170.8 | 0 | 0 | 0 | 0 | 109.3 | S420 A424 I425 F452 L453 Y510 | S420-V422 VanDerWaalsContact C-N 3.34Å; S420-V422 WeakPolarHBondContact OG-CB 3.48Å; S420-V422 PolarHBondContact OG-N 3.14Å; S420-V422 PolarHBondContact OG-O 3.19Å; V422-A424 WeakPolarHBondContact CG1-O 3.27Å; V422-I425 HydrophobicContact CG1-CD1 4.02Å; V422-I425 HydrophobicContact CG1-CG1 3.5Å; V422-I425 VanDerWaalsContact CG1-CG1 3.5Å; V422-F452 HydrophobicContact CG1-CB 3.63Å; V422-F452 HydrophobicContact CG1-CD2 4.28Å; V422-F452 HydrophobicContact CG1-CG 4.36Å; V422-F452 HydrophobicContact CG2-CD2 3.92Å; V422-L453 WeakPolarHBondContact CA-O 3.35Å; V422-L453 WeakPolarHBondContact CG1-O 3.42Å; V422-L453 WeakPolarHBondContact CG2-O 3.25Å; V422-Y510 HydrophobicContact CB-CE2 4.28Å; V422-Y510 HydrophobicContact CG2-CD2 4.39Å; V422-Y510 HydrophobicContact CG2-CE1 4.47Å; V422-Y510 HydrophobicContact CG2-CE2 3.38Å; V422-Y510 VanDerWaalsContact CG2-CZ 3.44Å; V422-Y510 VanDerWaalsContact CG2-OH 3.22Å; V422-Y510 WeakPolarHBondContact CG2-OH 3.15Å | ||
| 423 | R | 60.1 | Low | 77.3 | Confident | 246 Ų | 246 | 73.9 Ų | 73.9 | 93% | 0.928 | 39% | 0.386 | S | S | * | . | trans | -86.6 | -16.9 | -172.1 | -63.6 | -176.3 | 177.3 | -171.7 | -1.8 | 114.9 | V421 | V421-R423 PolarHBondContact O-N 2.7Š| ||
| 424 | A | 65 | Low | 77.3 | Confident | 54 Ų | 54 | 73.3 Ų | 73.3 | 45% | 0.446 | 38% | 0.384 | S | S | . | . | trans | -147.7 | 127.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | V422 F452 | V422-A424 WeakPolarHBondContact CG1-O 3.27Å; A424-F452 WeakPolarHBondContact O-CA 3.27Å | ||
| 425 | I | 70.3 | Confident | 77.1 | Confident | 46 Ų | 46 | 69 Ų | 69 | 24% | 0.236 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 118 | 174.3 | -56.6 | -177.5 | 0 | 0 | 0 | 106.7 | V422 T450 Q451 F452 Y510 L512 | V422-I425 HydrophobicContact CG1-CD1 4.02Å; V422-I425 HydrophobicContact CG1-CG1 3.5Å; V422-I425 VanDerWaalsContact CG1-CG1 3.5Å; I425-T450 HydrophobicContact CG2-CG2 3.72Å; I425-Q451 WeakPolarHBondContact CA-O 3.36Å; I425-F452 HydrophobicContact CG1-CB 4.3Å; I425-Y510 HydrophobicContact CD1-CD1 4.16Å; I425-Y510 HydrophobicContact CD1-CE1 3.97Å; I425-L512 HydrophobicContact CD1-CD1 3.45Å; I425-L512 VanDerWaalsContact CD1-CD1 3.45Å |
| 426 | H | 71.4 | Confident | 77 | Confident | 111 Ų | 111 | 67.9 Ų | 67.9 | 51% | 0.514 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 125.2 | 170.5 | -171.7 | 68 | 0 | 0 | 0 | 108.5 | S428 Q451 | H426-S428 PolarHBondContact CD2-OG 3.34Å; H426-S428 PolarHBondContact NE2-OG 3.34Å; H426-Q451 HydrophobicContact CB-CB 4.43Å; H426-Q451 PolarHBondContact N-O 3.43Å; H426-Q451 PolarHBondContact O-N 3.41Å |
| 427 | T | 75.6 | Confident | 76.9 | Confident | 35 Ų | 35 | 69.4 Ų | 69.4 | 22% | 0.215 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 129.4 | 176.1 | -60.7 | 0 | 0 | 0 | 0 | 109 | L372 R448 L449 | L372-T427 HydrophobicContact CD1-CG2 4.33Å; T427-R448 HydrophobicContact CG2-CG 3.71Å; T427-L449 CarbonylContact C-O 3.6Å; T427-L449 WeakPolarHBondContact CA-O 3.47Å |
| 428 | S | 73.6 | Confident | 76.7 | Confident | 31 Ų | 31 | 70.3 Ų | 70.3 | 22% | 0.217 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 138 | 174.1 | -43.4 | 0 | 0 | 0 | 0 | 110.2 | H426 L449 | H426-S428 PolarHBondContact CD2-OG 3.34Å; H426-S428 PolarHBondContact NE2-OG 3.34Å; S428-L449 PolarHBondContact N-O 2.85Å; S428-L449 PolarHBondContact O-N 3.08Å |
| 429 | I | 82.3 | Confident | 76.7 | Confident | 37 Ų | 37 | 72.9 Ų | 72.9 | 19% | 0.19 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 122.3 | 171.7 | -57.2 | -179.1 | 0 | 0 | 0 | 108.1 | T368 E369 L372 P432 Y446 | T368-I429 HydrophobicContact CG2-CD1 4.12Å; E369-I429 HydrophobicContact CG-CD1 3.74Å; L372-I429 HydrophobicContact CD1-CD1 3.87Å; L372-I429 HydrophobicContact CD1-CG1 3.88Å; I429-P432 HydrophobicContact CG2-CB 3.85Å; I429-P432 HydrophobicContact CG2-CG 4.18Å; I429-Y446 HydrophobicContact CG1-CD2 4.42Å; I429-Y446 HydrophobicContact CG2-CD2 3.8Å; I429-Y446 HydrophobicContact CG2-CG 3.81Å |
| 430 | L | 78.3 | Confident | 77.1 | Confident | 68 Ų | 68 | 69.8 Ų | 69.8 | 36% | 0.356 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 136.6 | 176.7 | -55.1 | 179.5 | 0 | 0 | 0 | 110.1 | T447 L449 | L430-T447 PolarHBondContact N-O 3.19Å; L430-T447 PolarHBondContact O-N 3.41Å; L430-T447 VanDerWaalsContact O-N 3.11Å; L430-L449 HydrophobicContact CD1-CB 4.12Å; L430-L449 HydrophobicContact CD1-CD2 4.47Å; L430-L449 HydrophobicContact CG-CB 4.41Å |
| 431 | N | 81.5 | Confident | 77.9 | Confident | 136 Ų | 136 | 68.9 Ų | 68.9 | 73% | 0.727 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 49.6 | 48.5 | 175.7 | -53.2 | -42.3 | 0 | 0 | 0 | 115.2 | T433 | N431-T433 PolarHBondContact O-N 3.13Å; N431-T433 VanDerWaalsContact O-N 3.16Å; N431-T433 PolarHBondContact O-OG1 2.99Å |
| 432 | P | 87.8 | Confident | 79 | Confident | 52 Ų | 52 | 64.4 Ų | 64.4 | 34% | 0.338 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 119.4 | -177.9 | 25.7 | -33.3 | 0 | 0 | 0 | 111.7 | I365 I429 I444 | I365-P432 HydrophobicContact CG1-CB 4.45Å; I429-P432 HydrophobicContact CG2-CB 3.85Å; I429-P432 HydrophobicContact CG2-CG 4.18Å; P432-I444 HydrophobicContact CB-CD1 4.17Å |
| 433 | T | 86.3 | Confident | 80.3 | Confident | 62 Ų | 62 | 63.9 Ų | 63.9 | 38% | 0.38 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 109.3 | 176.5 | -53.7 | 0 | 0 | 0 | 0 | 108.9 | T309 N431 H435 I444 A445 | T309-T433 HydrophobicContact CG2-CG2 4.32Å; N431-T433 PolarHBondContact O-N 3.13Å; N431-T433 VanDerWaalsContact O-N 3.16Å; N431-T433 PolarHBondContact O-OG1 2.99Å; T433-H435 WeakPolarHBondContact CG2-NE2 3.44Å; T433-H435 PolarHBondContact O-CD2 2.79Å; T433-I444 WeakPolarHBondContact O-CA 3.24Å; T433-A445 PolarHBondContact N-O 2.92Å; T433-A445 PolarHBondContact O-N 2.96Å |
| 434 | V | 88.8 | Confident | 81.9 | Confident | 7 Ų | 7 | 52.2 Ų | 52.2 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 131.1 | 178.7 | -178.1 | 0 | 0 | 0 | 0 | 111.4 | T309 K361 I364 I365 L436 I444 | T309-V434 WeakPolarHBondContact CG2-O 3.49Å; K361-V434 HydrophobicContact CB-CB 4.22Å; K361-V434 HydrophobicContact CB-CG1 4.29Å; K361-V434 HydrophobicContact CD-CB 4.36Å; K361-V434 WeakPolarHBondContact CE-O 3.28Å; K361-V434 HydrophobicContact CG-CB 3.92Å; K361-V434 HydrophobicContact CG-CG1 3.9Å; I364-V434 HydrophobicContact CB-CG1 3.87Å; I364-V434 HydrophobicContact CB-CG2 4.32Å; I364-V434 HydrophobicContact CG1-CG1 4.11Å; I364-V434 HydrophobicContact CG2-CG1 3.9Å; I364-V434 HydrophobicContact CG2-CG2 4.13Å; I365-V434 HydrophobicContact CD1-CG2 4.26Å; I365-V434 HydrophobicContact CG1-CG2 3.8Å; V434-L436 HydrophobicContact CG1-CD2 4.05Å; V434-I444 HydrophobicContact CG2-CB 4.29Å; V434-I444 HydrophobicContact CG2-CD1 3.82Å; V434-I444 HydrophobicContact CG2-CG1 3.8Å |
| 435 | H | 84.9 | Confident | 83.2 | Confident | 11 Ų | 11 | 50.9 Ų | 50.9 | 5% | 0.051 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 112 | 178.7 | -52.9 | -113.4 | 0 | 0 | 0 | 108.1 | T305 T309 T433 A442 C443 | T305-H435 HydrophobicContact CG2-CB 3.89Å; T305-H435 VanDerWaalsContact CG2-CE1 3.48Å; T305-H435 WeakPolarHBondContact CG2-CE1 3.39Å; T305-H435 WeakPolarHBondContact CG2-ND1 3.36Å; T305-H435 PolarHBondContact O-CE1 3.44Å; T305-H435 PolarHBondContact O-ND1 3.44Å; T309-H435 HydrophobicContact CG2-CB 4.14Å; T309-H435 VanDerWaalsContact CG2-CE1 3.44Å; T309-H435 WeakPolarHBondContact CG2-CE1 3.12Å; T309-H435 VanDerWaalsContact CG2-CG 3.5Å; T309-H435 WeakPolarHBondContact CG2-ND1 3.46Å; T309-H435 PolarHBondContact OG1-CE1 2.98Å; T309-H435 PolarHBondContact OG1-ND1 2.85Å; T433-H435 WeakPolarHBondContact CG2-NE2 3.44Å; T433-H435 PolarHBondContact O-CD2 2.79Å; H435-A442 CarbonylContact O-C 3.3Å; H435-A442 WeakPolarHBondContact O-CA 3.43Å; H435-C443 HydrophobicContact CB-CB 4.32Å; H435-C443 PolarHBondContact N-O 3.21Å; H435-C443 PolarHBondContact O-N 3.34Å |
| 436 | L | 84.6 | Confident | 84.1 | Confident | 55 Ų | 55 | 49.1 Ų | 49.1 | 29% | 0.288 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 130.4 | 173 | -56.2 | 179.3 | 0 | 0 | 0 | 108.9 | I357 K360 K361 I364 V434 A442 | I357-L436 HydrophobicContact CG2-CD1 4.06Å; K360-L436 HydrophobicContact CB-CD1 3.66Å; K360-L436 HydrophobicContact CB-CD2 4.23Å; K360-L436 HydrophobicContact CD-CD1 4.29Å; K361-L436 HydrophobicContact CG-CD1 4.42Å; K361-L436 HydrophobicContact CG-CG 4.39Å; I364-L436 HydrophobicContact CG1-CD2 4.24Å; V434-L436 HydrophobicContact CG1-CD2 4.05Å; L436-A442 HydrophobicContact CD2-CB 3.97Å |
| 437 | M | 81 | Confident | 84.9 | Confident | 93 Ų | 93 | 45.2 Ų | 45.2 | 46% | 0.458 | 26% | 0.263 | S | S | . | . | trans | -115.6 | 38.8 | -173 | -58.4 | -167.2 | -60.5 | 0 | 0 | 111.6 | A441 C443 V469 | M437-A441 WeakPolarHBondContact CA-O 3.49Å; M437-A441 HydrophobicContact CB-CB 3.94Å; M437-A441 HydrophobicContact CE-CB 4.35Å; M437-A441 PolarHBondContact N-O 3.29Å; M437-C443 HydrophobicContact CE-CB 4.09Å; M437-C443 HydrophobicContact SD-CB 4.19Å; M437-V469 HydrophobicContact CE-CG1 3.9Å | ||
| 438 | G | 76.9 | Confident | 85.4 | Confident | 55 Ų | 55 | 43.6 Ų | 43.6 | 57% | 0.567 | 25% | 0.253 | S | S | * | . | S | Bend | trans | 121 | -162.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 439 | E | 78.2 | Confident | 85.7 | Confident | 146 Ų | 146 | 43.6 Ų | 43.6 | 68% | 0.682 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -80.6 | -33.3 | 175.4 | -58.3 | -166.7 | 151.7 | 0 | 0 | 111.9 | ||
| 440 | D | 87 | Confident | 85.6 | Confident | 70 Ų | 70 | 42 Ų | 42 | 37% | 0.374 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -117.1 | 16.3 | -170.5 | -61.3 | -45.1 | 0 | 0 | 0 | 113.9 | V471 R472 | D440-V471 CarbonylContact O-C 3.54Å; D440-V471 WeakPolarHBondContact O-CA 3.3Å; D440-R472 HydrophobicContact CB-CB 3.84Å; D440-R472 PolarHBondContact O-N 3.41Å; D440-R472 VanDerWaalsContact OD1-CD 3.27Å; D440-R472 WeakPolarHBondContact OD1-CD 3.5Å |
| 441 | A | 88.2 | Confident | 85.4 | Confident | 21 Ų | 21 | 42.6 Ų | 42.6 | 17% | 0.174 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 145.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | M437 W470 | M437-A441 WeakPolarHBondContact CA-O 3.49Å; M437-A441 HydrophobicContact CB-CB 3.94Å; M437-A441 HydrophobicContact CE-CB 4.35Å; M437-A441 PolarHBondContact N-O 3.29Å; A441-W470 CarbonylContact C-O 3.58Å; A441-W470 WeakPolarHBondContact CA-O 3.48Å |
| 442 | A | 91.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 157.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I364 H435 L436 W470 W478 | I364-A442 HydrophobicContact CD1-CB 3.52Å; I364-A442 HydrophobicContact CG1-CB 3.63Å; I364-A442 HydrophobicContact CG2-CB 4.46Å; H435-A442 CarbonylContact O-C 3.3Å; H435-A442 WeakPolarHBondContact O-CA 3.43Å; L436-A442 HydrophobicContact CD2-CB 3.97Å; A442-W470 HydrophobicContact CB-CB 4.47Å; A442-W470 PolarHBondContact N-O 3.27Å; A442-W470 PolarHBondContact O-N 3.35Å; A442-W470 VanDerWaalsContact O-O 3.09Å; A442-W478 HydrophobicContact CB-CH2 4.35Å; A442-W478 HydrophobicContact CB-CZ3 4.26Å |
| 443 | C | 92.7 | Very high | 84.4 | Confident | 6 Ų | 6 | 37.8 Ų | 37.8 | 4% | 0.041 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 142.2 | 169.1 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | T305 H435 M437 R468 | T305-C443 HydrophobicContact CG2-CB 4.25Å; H435-C443 HydrophobicContact CB-CB 4.32Å; H435-C443 PolarHBondContact N-O 3.21Å; H435-C443 PolarHBondContact O-N 3.34Å; M437-C443 HydrophobicContact CE-CB 4.09Å; M437-C443 HydrophobicContact SD-CB 4.19Å; C443-R468 CarbonylContact C-O 3.57Å; C443-R468 VanDerWaalsContact CA-O 3.29Å; C443-R468 WeakPolarHBondContact CA-O 3.3Å; C443-R468 PolarHBondContact SG-O 3.08Å |
| 444 | I | 94 | Very high | 83.8 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 130.3 | 173.1 | -170.5 | 178.5 | 0 | 0 | 0 | 109.1 | I364 I365 T368 P432 T433 V434 Y446 T467 R468 | I364-I444 HydrophobicContact CG2-CB 3.99Å; I364-I444 HydrophobicContact CG2-CD1 4.41Å; I364-I444 HydrophobicContact CG2-CG2 4.25Å; I365-I444 HydrophobicContact CG1-CD1 4.31Å; T368-I444 HydrophobicContact CG2-CD1 4.33Å; T368-I444 HydrophobicContact CG2-CG2 4.38Å; P432-I444 HydrophobicContact CB-CD1 4.17Å; T433-I444 WeakPolarHBondContact O-CA 3.24Å; V434-I444 HydrophobicContact CG2-CB 4.29Å; V434-I444 HydrophobicContact CG2-CD1 3.82Å; V434-I444 HydrophobicContact CG2-CG1 3.8Å; I444-Y446 HydrophobicContact CD1-CD1 4.22Å; I444-Y446 HydrophobicContact CG1-CD1 4.02Å; I444-Y446 HydrophobicContact CG2-CD1 4.3Å; I444-Y446 HydrophobicContact CG2-CE1 4.15Å; I444-T467 WeakPolarHBondContact O-CA 3.46Å; I444-R468 HydrophobicContact CG2-CB 3.91Å; I444-R468 PolarHBondContact N-O 2.85Å; I444-R468 PolarHBondContact O-N 3.25Å |
| 445 | A | 92.5 | Very high | 83.1 | Confident | 26 Ų | 26 | 44.1 Ų | 44.1 | 22% | 0.215 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 134 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | T433 E466 | T433-A445 PolarHBondContact N-O 2.92Å; T433-A445 PolarHBondContact O-N 2.96Å; A445-E466 WeakPolarHBondContact CA-O 3.43Å |
| 446 | Y | 89.3 | Confident | 83 | Confident | 10 Ų | 10 | 48.3 Ų | 48.3 | 4% | 0.039 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 160.1 | -176.7 | 58.4 | -85.4 | 0 | 0 | 0 | 112.1 | T368 L372 I429 I444 R448 E466 R468 | T368-Y446 HydrophobicContact CG2-CD1 4.45Å; T368-Y446 HydrophobicContact CG2-CE1 3.63Å; L372-Y446 HydrophobicContact CD1-CE2 3.96Å; I429-Y446 HydrophobicContact CG1-CD2 4.42Å; I429-Y446 HydrophobicContact CG2-CD2 3.8Å; I429-Y446 HydrophobicContact CG2-CG 3.81Å; I444-Y446 HydrophobicContact CD1-CD1 4.22Å; I444-Y446 HydrophobicContact CG1-CD1 4.02Å; I444-Y446 HydrophobicContact CG2-CD1 4.3Å; I444-Y446 HydrophobicContact CG2-CE1 4.15Å; Y446-R448 HydrophobicContact CD2-CB 4.22Å; Y446-R448 HydrophobicContact CE2-CB 4Å; Y446-E466 HydrophobicContact CD2-CB 4.39Å; Y446-E466 HydrophobicContact CE1-CB 4.11Å; Y446-E466 HydrophobicContact CE2-CB 3.84Å; Y446-E466 HydrophobicContact CE2-CG 4.15Å; Y446-E466 PolarHBondContact N-O 3.18Å; Y446-E466 PolarHBondContact O-N 3.29Å; Y446-E466 PolarHBondContact OH-OE2 3.42Å; Y446-R468 PolarHBondContact OH-NE 3.05Å |
| 447 | T | 87 | Confident | 82.5 | Confident | 28 Ų | 28 | 47.8 Ų | 47.8 | 17% | 0.172 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 124.2 | 165.7 | -59.7 | 0 | 0 | 0 | 0 | 108.2 | L430 Q463 T464 | L430-T447 PolarHBondContact N-O 3.19Å; L430-T447 PolarHBondContact O-N 3.41Å; L430-T447 VanDerWaalsContact O-N 3.11Å; T447-Q463 HydrophobicContact CG2-CG 3.41Å; T447-Q463 VanDerWaalsContact CG2-CG 3.41Å; T447-T464 CarbonylContact C-O 3.56Å; T447-T464 WeakPolarHBondContact CA-O 3.44Å |
| 448 | R | 87.6 | Confident | 82.2 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 127.7 | 173.6 | -176.1 | -178.3 | 176.1 | 179.7 | -2.2 | 109.3 | T427 Y446 T450 Q463 T464 E466 L512 | T427-R448 HydrophobicContact CG2-CG 3.71Å; Y446-R448 HydrophobicContact CD2-CB 4.22Å; Y446-R448 HydrophobicContact CE2-CB 4Å; R448-T450 PolarHBondContact NE-OG1 2.89Å; R448-Q463 WeakPolarHBondContact O-CA 3.47Å; R448-T464 PolarHBondContact N-O 3.24Å; R448-T464 PolarHBondContact O-N 2.79Å; R448-E466 HydrophobicContact CB-CG 4.37Å; R448-E466 VanDerWaalsContact CD-OE1 3.25Å; R448-E466 WeakPolarHBondContact CD-OE1 3.5Å; R448-E466 IonicContact CZ-OE1 3.42Å; R448-E466 IonicContact NH1-OE1 3.8Å; R448-E466 PolarHBondContact NH1-OE1 3.25Å; R448-E466 IonicContact NH1-OE2 2.73Å; R448-L512 PolarHBondContact NH1-O 2.95Å; R448-L512 PolarHBondContact NH1-OXT 3.44Å; R448-L512 PolarHBondContact NH2-O 3.11Å; R448-L512 PolarHBondContact NH2-OXT 3.36Å |
| 449 | L | 79.7 | Confident | 82.1 | Confident | 32 Ų | 32 | 50.8 Ų | 50.8 | 17% | 0.168 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 117.7 | 170.8 | -161.7 | 74.9 | 0 | 0 | 0 | 108.4 | T427 S428 L430 Q451 T461 | T427-L449 CarbonylContact C-O 3.6Å; T427-L449 WeakPolarHBondContact CA-O 3.47Å; S428-L449 PolarHBondContact N-O 2.85Å; S428-L449 PolarHBondContact O-N 3.08Å; L430-L449 HydrophobicContact CD1-CB 4.12Å; L430-L449 HydrophobicContact CD1-CD2 4.47Å; L430-L449 HydrophobicContact CG-CB 4.41Å; L449-Q451 HydrophobicContact CD2-CG 4.19Å; L449-Q451 HydrophobicContact CG-CG 4.29Å; L449-T461 HydrophobicContact CD1-CG2 3.4Å; L449-T461 VanDerWaalsContact CD1-CG2 3.4Å; L449-T461 HydrophobicContact CD2-CG2 4.22Å; L449-T461 HydrophobicContact CG-CG2 3.78Å |
| 450 | T | 79.1 | Confident | 82 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 109.2 | 177.4 | -56.7 | 0 | 0 | 0 | 0 | 108.5 | I425 R448 F452 T461 Q462 | I425-T450 HydrophobicContact CG2-CG2 3.72Å; R448-T450 PolarHBondContact NE-OG1 2.89Å; T450-F452 HydrophobicContact CG2-CD1 4.4Å; T450-T461 WeakPolarHBondContact O-CA 3.31Å; T450-Q462 PolarHBondContact N-O 3.28Å; T450-Q462 PolarHBondContact O-N 3.28Å |
| 451 | Q | 74.6 | Confident | 81.5 | Confident | 80 Ų | 80 | 48.1 Ų | 48.1 | 37% | 0.374 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 133.1 | 178.9 | -52.8 | -172.2 | -68.8 | 0 | 0 | 109.7 | I425 H426 L449 H460 T461 | I425-Q451 WeakPolarHBondContact CA-O 3.36Å; H426-Q451 HydrophobicContact CB-CB 4.43Å; H426-Q451 PolarHBondContact N-O 3.43Å; H426-Q451 PolarHBondContact O-N 3.41Å; L449-Q451 HydrophobicContact CD2-CG 4.19Å; L449-Q451 HydrophobicContact CG-CG 4.29Å; Q451-H460 WeakPolarHBondContact CA-O 3.42Å; Q451-T461 HydrophobicContact CG-CG2 4.2Å |
| 452 | F | 75.2 | Confident | 81.1 | Confident | 12 Ų | 12 | 48.1 Ų | 48.1 | 5% | 0.053 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 156.3 | -175.2 | 64.1 | -91.5 | 0 | 0 | 0 | 113.3 | V422 A424 I425 T450 P459 H460 Q462 Y510 | V422-F452 HydrophobicContact CG1-CB 3.63Å; V422-F452 HydrophobicContact CG1-CD2 4.28Å; V422-F452 HydrophobicContact CG1-CG 4.36Å; V422-F452 HydrophobicContact CG2-CD2 3.92Å; A424-F452 WeakPolarHBondContact O-CA 3.27Å; I425-F452 HydrophobicContact CG1-CB 4.3Å; T450-F452 HydrophobicContact CG2-CD1 4.4Å; F452-P459 WeakPolarHBondContact O-CA 3.21Å; F452-H460 HydrophobicContact CD1-CB 4.23Å; F452-H460 HydrophobicContact CD2-CB 4.07Å; F452-H460 HydrophobicContact CE1-CB 3.85Å; F452-H460 HydrophobicContact CE2-CB 3.66Å; F452-H460 AromaticContact CE2-CG 3.98Å; F452-H460 HydrophobicContact CG-CB 4.34Å; F452-H460 HydrophobicContact CZ-CB 3.55Å; F452-H460 PolarHBondContact N-O 3.24Å; F452-H460 PolarHBondContact O-N 3.26Å; F452-Q462 HydrophobicContact CE1-CB 4.35Å; F452-Y510 HydrophobicContact CD1-CD2 4.46Å; F452-Y510 HydrophobicContact CD2-CD2 4.13Å; F452-Y510 HydrophobicContact CD2-CE2 4.37Å; F452-Y510 HydrophobicContact CE1-CD2 4.14Å; F452-Y510 HydrophobicContact CE1-CG 4.43Å; F452-Y510 AromaticContact CE2-CD2 3.79Å; F452-Y510 HydrophobicContact CE2-CD2 3.79Å; F452-Y510 HydrophobicContact CE2-CE2 4.2Å; F452-Y510 HydrophobicContact CG-CD2 4.46Å; F452-Y510 AromaticContact CZ-CD2 3.79Å; F452-Y510 HydrophobicContact CZ-CD2 3.79Å |
| 453 | L | 73 | Confident | 80.6 | Confident | 74 Ų | 74 | 52.1 Ų | 52.1 | 39% | 0.387 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 124.8 | 171.2 | -60 | -178.2 | 0 | 0 | 0 | 109.8 | V422 M458 P459 | V422-L453 WeakPolarHBondContact CA-O 3.35Å; V422-L453 WeakPolarHBondContact CG1-O 3.42Å; V422-L453 WeakPolarHBondContact CG2-O 3.25Å; L453-M458 WeakPolarHBondContact CA-O 3.49Å; L453-P459 HydrophobicContact CD2-CB 4Å |
| 454 | D | 73.6 | Confident | 80.4 | Confident | 40 Ų | 40 | 52 Ų | 52 | 21% | 0.214 | 29% | 0.288 | C | S | . | . | trans | -71.9 | -178.1 | 174.2 | 73.9 | 12.2 | 0 | 0 | 0 | 113.2 | C456 G457 M458 H460 | D454-C456 PolarHBondContact O-N 2.96Å; D454-C456 VanDerWaalsContact O-N 3.11Å; D454-C456 VanDerWaalsContact OD1-CA 3.28Å; D454-C456 WeakPolarHBondContact OD1-CA 3.37Å; D454-C456 VanDerWaalsContact OD1-CB 3.3Å; D454-C456 WeakPolarHBondContact OD1-CB 3.4Å; D454-C456 PolarHBondContact OD1-N 3.5Å; D454-G457 PolarHBondContact O-N 3.33Å; D454-G457 PolarHBondContact OD1-N 3Å; D454-G457 VanDerWaalsContact OD1-N 3.12Å; D454-M458 PolarHBondContact N-O 2.92Å; D454-M458 PolarHBondContact OD1-N 3.45Å; D454-H460 IonicContact OD2-CD2 2.68Å; D454-H460 IonicContact OD2-CE1 2.71Å; D454-H460 IonicContact OD2-NE2 3.27Å; D454-H460 PolarHBondContact OD2-NE2 2.94Å | ||
| 455 | K | 75.1 | Confident | 80.2 | Confident | 162 Ų | 162 | 56.1 Ų | 56.1 | 70% | 0.704 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -19.4 | 177.2 | 68.1 | -178.9 | -179.4 | 177.1 | 0 | 114.9 | V421 | V421-K455 HydrophobicContact CB-CB 4.29Å; V421-K455 HydrophobicContact CG2-CB 3.82Å |
| 456 | C | 81.7 | Confident | 80.2 | Confident | 99 Ų | 99 | 55 Ų | 55 | 67% | 0.669 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -1.1 | 177.4 | -64.7 | 0 | 0 | 0 | 0 | 112 | D454 M458 | D454-C456 PolarHBondContact O-N 2.96Å; D454-C456 VanDerWaalsContact O-N 3.11Å; D454-C456 VanDerWaalsContact OD1-CA 3.28Å; D454-C456 WeakPolarHBondContact OD1-CA 3.37Å; D454-C456 VanDerWaalsContact OD1-CB 3.3Å; D454-C456 WeakPolarHBondContact OD1-CB 3.4Å; D454-C456 PolarHBondContact OD1-N 3.5Å; C456-M458 VanDerWaalsContact C-N 3.28Å; C456-M458 HydrophobicContact CB-CG 4.23Å |
| 457 | G | 74.1 | Confident | 80.4 | Confident | 45 Ų | 45 | 55.8 Ų | 55.8 | 46% | 0.464 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 77.6 | 10.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D454 | D454-G457 PolarHBondContact O-N 3.33Å; D454-G457 PolarHBondContact OD1-N 3Å; D454-G457 VanDerWaalsContact OD1-N 3.12Å |
| 458 | M | 74.6 | Confident | 80.8 | Confident | 113 Ų | 113 | 54.7 Ų | 54.7 | 56% | 0.557 | 30% | 0.297 | S | S | * | . | trans | -78.3 | 133.4 | 178.1 | -65 | -61.2 | -63.4 | 0 | 0 | 110 | L453 D454 C456 H460 | L453-M458 WeakPolarHBondContact CA-O 3.49Å; D454-M458 PolarHBondContact N-O 2.92Å; D454-M458 PolarHBondContact OD1-N 3.45Å; C456-M458 VanDerWaalsContact C-N 3.28Å; C456-M458 HydrophobicContact CB-CG 4.23Å; M458-H460 PolarHBondContact O-CD2 2.66Å; M458-H460 VanDerWaalsContact O-CD2 3.23Å | ||
| 459 | P | 75.2 | Confident | 81 | Confident | 97 Ų | 97 | 56.3 Ų | 56.3 | 63% | 0.63 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76 | 128.7 | 176.7 | 30.5 | -33.5 | 0 | 0 | 0 | 111 | F452 L453 | F452-P459 WeakPolarHBondContact O-CA 3.21Å; L453-P459 HydrophobicContact CD2-CB 4Å |
| 460 | H | 75.7 | Confident | 81.8 | Confident | 78 Ų | 78 | 54.8 Ų | 54.8 | 36% | 0.361 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 156.4 | 171.7 | -66.4 | -85.9 | 0 | 0 | 0 | 110 | Q451 F452 D454 M458 | Q451-H460 WeakPolarHBondContact CA-O 3.42Å; F452-H460 HydrophobicContact CD1-CB 4.23Å; F452-H460 HydrophobicContact CD2-CB 4.07Å; F452-H460 HydrophobicContact CE1-CB 3.85Å; F452-H460 HydrophobicContact CE2-CB 3.66Å; F452-H460 AromaticContact CE2-CG 3.98Å; F452-H460 HydrophobicContact CG-CB 4.34Å; F452-H460 HydrophobicContact CZ-CB 3.55Å; F452-H460 PolarHBondContact N-O 3.24Å; F452-H460 PolarHBondContact O-N 3.26Å; D454-H460 IonicContact OD2-CD2 2.68Å; D454-H460 IonicContact OD2-CE1 2.71Å; D454-H460 IonicContact OD2-NE2 3.27Å; D454-H460 PolarHBondContact OD2-NE2 2.94Å; M458-H460 PolarHBondContact O-CD2 2.66Å; M458-H460 VanDerWaalsContact O-CD2 3.23Å |
| 461 | T | 76.3 | Confident | 82.3 | Confident | 82 Ų | 82 | 56 Ų | 56 | 50% | 0.503 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 120.5 | 174.1 | -67.7 | 0 | 0 | 0 | 0 | 108 | L449 T450 Q451 | L449-T461 HydrophobicContact CD1-CG2 3.4Å; L449-T461 VanDerWaalsContact CD1-CG2 3.4Å; L449-T461 HydrophobicContact CD2-CG2 4.22Å; L449-T461 HydrophobicContact CG-CG2 3.78Å; T450-T461 WeakPolarHBondContact O-CA 3.31Å; Q451-T461 HydrophobicContact CG-CG2 4.2Å |
| 462 | Q | 80.9 | Confident | 83 | Confident | 21 Ų | 21 | 58.1 Ų | 58.1 | 10% | 0.098 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 141 | 177.7 | -171.6 | -175.4 | 1.5 | 0 | 0 | 109 | T450 F452 N509 Y510 | T450-Q462 PolarHBondContact N-O 3.28Å; T450-Q462 PolarHBondContact O-N 3.28Å; F452-Q462 HydrophobicContact CE1-CB 4.35Å; Q462-N509 PolarHBondContact NE2-OD1 2.64Å; Q462-N509 VanDerWaalsContact NE2-OD1 3.15Å; Q462-Y510 PolarHBondContact OE1-O 3.47Å |
| 463 | Q | 81.8 | Confident | 83.5 | Confident | 84 Ų | 84 | 62.1 Ų | 62.1 | 39% | 0.393 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 127.3 | 175.8 | -175.8 | 175.7 | -33.1 | 0 | 0 | 109.7 | T447 R448 L488 | T447-Q463 HydrophobicContact CG2-CG 3.41Å; T447-Q463 VanDerWaalsContact CG2-CG 3.41Å; R448-Q463 WeakPolarHBondContact O-CA 3.47Å; Q463-L488 HydrophobicContact CG-CD1 4.34Å; Q463-L488 VanDerWaalsContact NE2-CD1 3.28Å |
| 464 | T | 87.3 | Confident | 83.5 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 2% | 0.018 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 149.8 | 169 | 58.7 | 0 | 0 | 0 | 0 | 110.4 | T447 R448 E466 S486 | T447-T464 CarbonylContact C-O 3.56Å; T447-T464 WeakPolarHBondContact CA-O 3.44Å; R448-T464 PolarHBondContact N-O 3.24Å; R448-T464 PolarHBondContact O-N 2.79Å; T464-E466 PolarHBondContact OG1-OE1 3.48Å; T464-S486 WeakPolarHBondContact CA-O 3.4Å |
| 465 | E | 89.6 | Confident | 83.5 | Confident | 88 Ų | 88 | 70.3 Ų | 70.3 | 41% | 0.411 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 122.4 | 169.2 | -64.6 | -178.1 | 176.3 | 0 | 0 | 107.6 | R485 S486 | E465-R485 CarbonylContact O-C 3.58Å; E465-R485 WeakPolarHBondContact O-CA 3.39Å; E465-S486 PolarHBondContact N-O 3.27Å; E465-S486 PolarHBondContact O-N 3.26Å |
| 466 | E | 92.3 | Very high | 83.7 | Confident | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 135.8 | -177.7 | -52.8 | -159.4 | 172.8 | 0 | 0 | 110.7 | A445 Y446 R448 T464 R468 H484 R485 | A445-E466 WeakPolarHBondContact CA-O 3.43Å; Y446-E466 HydrophobicContact CD2-CB 4.39Å; Y446-E466 HydrophobicContact CE1-CB 4.11Å; Y446-E466 HydrophobicContact CE2-CB 3.84Å; Y446-E466 HydrophobicContact CE2-CG 4.15Å; Y446-E466 PolarHBondContact N-O 3.18Å; Y446-E466 PolarHBondContact O-N 3.29Å; Y446-E466 PolarHBondContact OH-OE2 3.42Å; R448-E466 HydrophobicContact CB-CG 4.37Å; R448-E466 VanDerWaalsContact CD-OE1 3.25Å; R448-E466 WeakPolarHBondContact CD-OE1 3.5Å; R448-E466 IonicContact CZ-OE1 3.42Å; R448-E466 IonicContact NH1-OE1 3.8Å; R448-E466 PolarHBondContact NH1-OE1 3.25Å; R448-E466 IonicContact NH1-OE2 2.73Å; T464-E466 PolarHBondContact OG1-OE1 3.48Å; E466-R468 IonicContact OE2-CZ 3.22Å; E466-R468 IonicContact OE2-NE 2.73Å; E466-R468 PolarHBondContact OE2-NE 3.29Å; E466-R468 IonicContact OE2-NH2 3.69Å; E466-R468 PolarHBondContact OE2-NH2 2.81Å; E466-H484 WeakPolarHBondContact CA-O 3.49Å; E466-R485 HydrophobicContact CG-CG 3.98Å; E466-R485 IonicContact OE1-NE 2.81Å; E466-R485 PolarHBondContact OE1-NE 2.85Å |
| 467 | T | 93.4 | Very high | 84.1 | Confident | 28 Ų | 28 | 65.4 Ų | 65.4 | 17% | 0.172 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 125.4 | 168.4 | -60.4 | 0 | 0 | 0 | 0 | 108.7 | I444 V483 H484 | I444-T467 WeakPolarHBondContact O-CA 3.46Å; T467-V483 WeakPolarHBondContact O-CA 3.29Å; T467-H484 PolarHBondContact N-O 3.07Å; T467-H484 PolarHBondContact O-N 3.42Å |
| 468 | R | 95.4 | Very high | 85 | Confident | 5 Ų | 5 | 65.1 Ų | 65.1 | 2% | 0.019 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 138.7 | 178.4 | -70.4 | -178 | -170.9 | -93.1 | -2.5 | 111.1 | C443 I444 Y446 E466 N480 H482 V483 | C443-R468 CarbonylContact C-O 3.57Å; C443-R468 VanDerWaalsContact CA-O 3.29Å; C443-R468 WeakPolarHBondContact CA-O 3.3Å; C443-R468 PolarHBondContact SG-O 3.08Å; I444-R468 HydrophobicContact CG2-CB 3.91Å; I444-R468 PolarHBondContact N-O 2.85Å; I444-R468 PolarHBondContact O-N 3.25Å; Y446-R468 PolarHBondContact OH-NE 3.05Å; E466-R468 IonicContact OE2-CZ 3.22Å; E466-R468 IonicContact OE2-NE 2.73Å; E466-R468 PolarHBondContact OE2-NE 3.29Å; E466-R468 IonicContact OE2-NH2 3.69Å; E466-R468 PolarHBondContact OE2-NH2 2.81Å; R468-N480 PolarHBondContact NH1-OD1 2.82Å; R468-N480 VanDerWaalsContact NH1-OD1 3.16Å; R468-H482 WeakPolarHBondContact CA-O 3.5Å; R468-V483 HydrophobicContact CG-CB 4.08Å; R468-V483 HydrophobicContact CG-CG2 3.69Å |
| 469 | V | 93.2 | Very high | 85.9 | Confident | 35 Ų | 35 | 59.9 Ų | 59.9 | 21% | 0.212 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 126 | 173.4 | -172.9 | 0 | 0 | 0 | 0 | 108.8 | M437 N480 V481 H482 | M437-V469 HydrophobicContact CE-CG1 3.9Å; V469-N480 CarbonylContact O-C 3.59Å; V469-N480 WeakPolarHBondContact O-CA 3.45Å; V469-N480 PolarHBondContact O-ND2 3.25Å; V469-V481 HydrophobicContact CB-CG2 3.8Å; V469-V481 HydrophobicContact CG1-CG2 3.61Å; V469-V481 PolarHBondContact O-N 2.85Å; V469-H482 HydrophobicContact CB-CB 4.13Å; V469-H482 HydrophobicContact CG2-CB 4.14Å; V469-H482 PolarHBondContact N-O 3.38Å |
| 470 | W | 94.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 137.6 | -177.7 | -68.3 | 97.8 | 0 | 0 | 0 | 110 | I364 A367 T368 L371 F386 A441 A442 W478 Q479 N480 | I364-W470 HydrophobicContact CD1-CB 4.25Å; I364-W470 HydrophobicContact CD1-CG 4.49Å; A367-W470 HydrophobicContact CB-CH2 4.09Å; A367-W470 HydrophobicContact CB-CZ2 4.32Å; A367-W470 HydrophobicContact CB-CZ3 4.3Å; T368-W470 PolarHBondContact OG1-NE1 3.37Å; L371-W470 HydrophobicContact CB-CH2 4.07Å; L371-W470 HydrophobicContact CB-CZ2 4.42Å; L371-W470 HydrophobicContact CD1-CH2 3.56Å; L371-W470 HydrophobicContact CD1-CZ2 3.87Å; L371-W470 HydrophobicContact CD1-CZ3 4.49Å; L371-W470 HydrophobicContact CG-CH2 4.47Å; F386-W470 HydrophobicContact CB-CH2 4.22Å; F386-W470 HydrophobicContact CB-CZ3 4.26Å; F386-W470 HydrophobicContact CD1-CH2 4.09Å; F386-W470 HydrophobicContact CD1-CZ3 4.12Å; F386-W470 HydrophobicContact CG-CH2 4.49Å; A441-W470 CarbonylContact C-O 3.58Å; A441-W470 WeakPolarHBondContact CA-O 3.48Å; A442-W470 HydrophobicContact CB-CB 4.47Å; A442-W470 PolarHBondContact N-O 3.27Å; A442-W470 PolarHBondContact O-N 3.35Å; A442-W470 VanDerWaalsContact O-O 3.09Å; W470-W478 HydrophobicContact CB-CE3 3.94Å; W470-W478 HydrophobicContact CB-CZ3 4.47Å; W470-W478 HydrophobicContact CE3-CB 3.82Å; W470-W478 HydrophobicContact CZ3-CB 4.24Å; W470-Q479 CarbonylContact C-O 3.53Å; W470-Q479 WeakPolarHBondContact CA-O 3.41Å; W470-Q479 VanDerWaalsContact CE3-C 3.48Å; W470-N480 HydrophobicContact CD2-CB 4.18Å; W470-N480 HydrophobicContact CE3-CB 3.92Å; W470-N480 HydrophobicContact CH2-CB 4.14Å; W470-N480 HydrophobicContact CZ2-CB 4.36Å; W470-N480 HydrophobicContact CZ3-CB 3.9Å |
| 471 | V | 89.5 | Confident | 87.5 | Confident | 29 Ų | 29 | 52.9 Ų | 52.9 | 18% | 0.176 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 133.5 | 173.3 | 178.3 | 0 | 0 | 0 | 0 | 108.3 | D440 Q479 V481 | D440-V471 CarbonylContact O-C 3.54Å; D440-V471 WeakPolarHBondContact O-CA 3.3Å; V471-Q479 PolarHBondContact N-O 3.4Å; V471-Q479 PolarHBondContact O-N 3.04Å; V471-V481 HydrophobicContact CB-CG1 3.89Å; V471-V481 HydrophobicContact CG2-CG1 3.69Å; V471-V481 HydrophobicContact CG2-CG2 3.97Å |
| 472 | R | 90.4 | Very high | 88.2 | Confident | 125 Ų | 125 | 50.4 Ų | 50.4 | 47% | 0.472 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 129.1 | 174.9 | -159.4 | -176.6 | -172 | 179.9 | 0.3 | 108.7 | D440 G477 W478 | D440-R472 HydrophobicContact CB-CB 3.84Å; D440-R472 PolarHBondContact O-N 3.41Å; D440-R472 VanDerWaalsContact OD1-CD 3.27Å; D440-R472 WeakPolarHBondContact OD1-CD 3.5Å; R472-G477 CarbonylContact C-O 3.55Å; R472-G477 WeakPolarHBondContact CA-O 3.26Å; R472-W478 HydrophobicContact CB-CD2 4.24Å; R472-W478 HydrophobicContact CB-CE3 3.89Å; R472-W478 HydrophobicContact CB-CH2 4.16Å; R472-W478 HydrophobicContact CB-CZ2 4.48Å; R472-W478 HydrophobicContact CB-CZ3 3.87Å; R472-W478 HydrophobicContact CG-CD2 4.47Å |
| 473 | R | 85.7 | Confident | 88.8 | Confident | 95 Ų | 95 | 49.5 Ų | 49.5 | 36% | 0.358 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 138.9 | 172.3 | -56.2 | -57 | -169.4 | -173.1 | 5.3 | 108.8 | D388 D475 R476 G477 Q479 | D388-R473 IonicContact OD2-CZ 3.65Å; D388-R473 VanDerWaalsContact OD2-CZ 3.23Å; D388-R473 IonicContact OD2-NE 3.96Å; D388-R473 PolarHBondContact OD2-NE 3.21Å; D388-R473 IonicContact OD2-NH2 2.72Å; D388-R473 PolarHBondContact OD2-NH2 2.64Å; R473-D475 WeakPolarHBondContact CB-OD1 3.33Å; R473-D475 PolarHBondContact O-N 3.33Å; R473-R476 HydrophobicContact CB-CB 4.49Å; R473-R476 PolarHBondContact O-N 2.91Å; R473-G477 PolarHBondContact N-O 2.9Å; R473-G477 PolarHBondContact O-N 2.88Å; R473-Q479 HydrophobicContact CB-CG 4.21Å; R473-Q479 HydrophobicContact CG-CB 4.25Å; R473-Q479 HydrophobicContact CG-CG 3.63Å |
| 474 | N | 72.1 | Confident | 89.2 | Confident | 168 Ų | 168 | 47 Ų | 47 | 90% | 0.898 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -23.6 | -169.7 | -65.4 | -11.9 | 0 | 0 | 0 | 114.1 | ||
| 475 | D | 73.9 | Confident | 89.3 | Confident | 119 Ų | 119 | 47.6 Ų | 47.6 | 64% | 0.636 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | -26.4 | -175 | 60.9 | -30.2 | 0 | 0 | 0 | 113.9 | R473 | R473-D475 WeakPolarHBondContact CB-OD1 3.33Å; R473-D475 PolarHBondContact O-N 3.33Å |
| 476 | R | 78.9 | Confident | 89 | Confident | 128 Ų | 128 | 45.7 Ų | 45.7 | 48% | 0.483 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | 0.8 | -166.9 | -76.4 | -178.2 | -80.2 | 158.2 | -12.6 | 115.8 | R473 Q479 | R473-R476 HydrophobicContact CB-CB 4.49Å; R473-R476 PolarHBondContact O-N 2.91Å; R476-Q479 HydrophobicContact CB-CG 4.31Å; R476-Q479 VanDerWaalsContact NH1-OE1 3.11Å |
| 477 | G | 90 | Very high | 88.1 | Confident | 30 Ų | 30 | 47.9 Ų | 47.9 | 31% | 0.309 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 71.8 | -144.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R472 R473 | R472-G477 CarbonylContact C-O 3.55Å; R472-G477 WeakPolarHBondContact CA-O 3.26Å; R473-G477 PolarHBondContact N-O 2.9Å; R473-G477 PolarHBondContact O-N 2.88Å |
| 478 | W | 93.5 | Very high | 86.3 | Confident | 38 Ų | 38 | 51.2 Ų | 51.2 | 14% | 0.144 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 127.8 | -179.2 | -68 | 110.7 | 0 | 0 | 0 | 111.6 | I364 A367 A442 W470 R472 | I364-W478 HydrophobicContact CD1-CD2 3.5Å; I364-W478 VanDerWaalsContact CD1-CD2 3.5Å; I364-W478 VanDerWaalsContact CD1-CE2 3.46Å; I364-W478 HydrophobicContact CD1-CE3 3.76Å; I364-W478 HydrophobicContact CD1-CG 4.03Å; I364-W478 HydrophobicContact CD1-CH2 3.99Å; I364-W478 HydrophobicContact CD1-CZ2 3.74Å; I364-W478 HydrophobicContact CD1-CZ3 3.99Å; A367-W478 HydrophobicContact CB-CB 4.42Å; A442-W478 HydrophobicContact CB-CH2 4.35Å; A442-W478 HydrophobicContact CB-CZ3 4.26Å; W470-W478 HydrophobicContact CB-CE3 3.94Å; W470-W478 HydrophobicContact CB-CZ3 4.47Å; W470-W478 HydrophobicContact CE3-CB 3.82Å; W470-W478 HydrophobicContact CZ3-CB 4.24Å; R472-W478 HydrophobicContact CB-CD2 4.24Å; R472-W478 HydrophobicContact CB-CE3 3.89Å; R472-W478 HydrophobicContact CB-CH2 4.16Å; R472-W478 HydrophobicContact CB-CZ2 4.48Å; R472-W478 HydrophobicContact CB-CZ3 3.87Å; R472-W478 HydrophobicContact CG-CD2 4.47Å |
| 479 | Q | 93.7 | Very high | 83.6 | Confident | 3 Ų | 3 | 56 Ų | 56 | 1% | 0.014 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 130.6 | 176 | -56 | -71.7 | -101.7 | 0 | 0 | 109.3 | K385 F386 L387 D388 W470 V471 R473 R476 V481 | K385-Q479 PolarHBondContact O-NE2 3.1Å; F386-Q479 CarbonylContact O-C 3.57Å; F386-Q479 WeakPolarHBondContact O-CA 3.32Å; L387-Q479 PolarHBondContact O-OE1 2.93Å; D388-Q479 HydrophobicContact CB-CB 4.31Å; W470-Q479 CarbonylContact C-O 3.53Å; W470-Q479 WeakPolarHBondContact CA-O 3.41Å; W470-Q479 VanDerWaalsContact CE3-C 3.48Å; V471-Q479 PolarHBondContact N-O 3.4Å; V471-Q479 PolarHBondContact O-N 3.04Å; R473-Q479 HydrophobicContact CB-CG 4.21Å; R473-Q479 HydrophobicContact CG-CB 4.25Å; R473-Q479 HydrophobicContact CG-CG 3.63Å; R476-Q479 HydrophobicContact CB-CG 4.31Å; R476-Q479 VanDerWaalsContact NH1-OE1 3.11Å; Q479-V481 PolarHBondContact O-N 3.38Å |
| 480 | N | 93.9 | Very high | 80.6 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 116.9 | 175.9 | -176.2 | -153.8 | 0 | 0 | 0 | 108.3 | L371 F386 L387 D388 F391 R468 V469 W470 H482 | L371-N480 HydrophobicContact CD1-CB 4.11Å; F386-N480 WeakPolarHBondContact O-CB 3.33Å; F386-N480 PolarHBondContact O-N 2.69Å; L387-N480 HydrophobicContact CD2-CB 4.02Å; D388-N480 PolarHBondContact N-O 3.03Å; F391-N480 WeakPolarHBondContact CD2-O 3.43Å; R468-N480 PolarHBondContact NH1-OD1 2.82Å; R468-N480 VanDerWaalsContact NH1-OD1 3.16Å; V469-N480 CarbonylContact O-C 3.59Å; V469-N480 WeakPolarHBondContact O-CA 3.45Å; V469-N480 PolarHBondContact O-ND2 3.25Å; W470-N480 HydrophobicContact CD2-CB 4.18Å; W470-N480 HydrophobicContact CE3-CB 3.92Å; W470-N480 HydrophobicContact CH2-CB 4.14Å; W470-N480 HydrophobicContact CZ2-CB 4.36Å; W470-N480 HydrophobicContact CZ3-CB 3.9Å; N480-H482 PolarHBondContact ND2-O 3.29Å |
| 481 | V | 90.8 | Very high | 77.3 | Confident | 28 Ų | 28 | 63 Ų | 63 | 17% | 0.17 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -23.8 | -178.8 | -60.6 | 0 | 0 | 0 | 0 | 112.6 | D388 F391 T392 V469 V471 Q479 | D388-V481 HydrophobicContact CB-CB 4.36Å; D388-V481 HydrophobicContact CB-CG1 3.71Å; F391-V481 WeakPolarHBondContact CA-O 3.4Å; T392-V481 PolarHBondContact N-O 2.81Å; T392-V481 PolarHBondContact OG1-O 3.43Å; V469-V481 HydrophobicContact CB-CG2 3.8Å; V469-V481 HydrophobicContact CG1-CG2 3.61Å; V469-V481 PolarHBondContact O-N 2.85Å; V471-V481 HydrophobicContact CB-CG1 3.89Å; V471-V481 HydrophobicContact CG2-CG1 3.69Å; V471-V481 HydrophobicContact CG2-CG2 3.97Å; Q479-V481 PolarHBondContact O-N 3.38Å |
| 482 | H | 91.1 | Very high | 74.3 | Confident | 31 Ų | 31 | 67.2 Ų | 67.2 | 14% | 0.144 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 142.9 | -179.9 | -178.5 | 67.9 | 0 | 0 | 0 | 111.4 | T392 R468 V469 N480 | T392-H482 WeakPolarHBondContact O-CA 3.39Å; T392-H482 PolarHBondContact O-ND1 3.35Å; T392-H482 PolarHBondContact OG1-ND1 3.46Å; R468-H482 WeakPolarHBondContact CA-O 3.5Å; V469-H482 HydrophobicContact CB-CB 4.13Å; V469-H482 HydrophobicContact CG2-CB 4.14Å; V469-H482 PolarHBondContact N-O 3.38Å; N480-H482 PolarHBondContact ND2-O 3.29Å |
| 483 | V | 92.9 | Very high | 71.2 | Confident | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.006 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 139.3 | 165.7 | 65.1 | 0 | 0 | 0 | 0 | 111.4 | F391 T392 Y393 F394 T467 R468 R485 | F391-V483 HydrophobicContact CE2-CB 4.38Å; F391-V483 HydrophobicContact CE2-CG1 3.79Å; F391-V483 HydrophobicContact CZ-CG1 3.55Å; T392-V483 PolarHBondContact O-N 3.35Å; Y393-V483 HydrophobicContact CD2-CG1 3.5Å; Y393-V483 VanDerWaalsContact CD2-CG1 3.5Å; Y393-V483 HydrophobicContact CE2-CG1 4.21Å; Y393-V483 HydrophobicContact CG-CG1 4.42Å; F394-V483 PolarHBondContact N-O 2.64Å; T467-V483 WeakPolarHBondContact O-CA 3.29Å; R468-V483 HydrophobicContact CG-CB 4.08Å; R468-V483 HydrophobicContact CG-CG2 3.69Å; V483-R485 HydrophobicContact CG2-CG 4.1Å |
| 484 | H | 89.7 | Confident | 68.3 | Low | 31 Ų | 31 | 64.6 Ų | 64.6 | 14% | 0.144 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 121.7 | 168.1 | -175.5 | -170.4 | 0 | 0 | 0 | 108.6 | F394 E466 T467 | F394-H484 AromaticContact CD1-CD2 3.53Å; F394-H484 AromaticContact CD1-NE2 3.5Å; F394-H484 AromaticContact CE1-NE2 3.97Å; F394-H484 CarbonylContact O-C 3.55Å; F394-H484 VanDerWaalsContact O-CA 3.29Å; F394-H484 WeakPolarHBondContact O-CA 3.46Å; E466-H484 WeakPolarHBondContact CA-O 3.49Å; T467-H484 PolarHBondContact N-O 3.07Å; T467-H484 PolarHBondContact O-N 3.42Å |
| 485 | R | 91.1 | Very high | 66.1 | Low | 17 Ų | 17 | 60.6 Ų | 60.6 | 6% | 0.064 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 139.5 | 173.2 | -67.3 | 173.1 | 70.6 | -122.4 | 7.5 | 109.8 | Y393 F394 G395 P396 E397 E465 E466 V483 L512 | Y393-R485 PolarHBondContact OH-NH1 3.47Å; F394-R485 PolarHBondContact O-N 3.22Å; G395-R485 WeakPolarHBondContact CA-O 3.49Å; P396-R485 WeakPolarHBondContact CD-O 3.47Å; E397-R485 IonicContact OE1-CZ 2.63Å; E397-R485 IonicContact OE1-NH1 3.97Å; E397-R485 PolarHBondContact OE1-NH1 3.06Å; E397-R485 IonicContact OE1-NH2 3.82Å; E397-R485 IonicContact OE2-NH1 3.17Å; E397-R485 PolarHBondContact OE2-NH1 3.08Å; E465-R485 CarbonylContact O-C 3.58Å; E465-R485 WeakPolarHBondContact O-CA 3.39Å; E466-R485 HydrophobicContact CG-CG 3.98Å; E466-R485 IonicContact OE1-NE 2.81Å; E466-R485 PolarHBondContact OE1-NE 2.85Å; V483-R485 HydrophobicContact CG2-CG 4.1Å; R485-L512 PolarHBondContact NH2-O 3.3Å |
| 486 | S | 83.6 | Confident | 63.8 | Low | 47 Ų | 47 | 58.3 Ų | 58.3 | 33% | 0.329 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 137.6 | 173.3 | -69.7 | 0 | 0 | 0 | 0 | 110.3 | T464 E465 | T464-S486 WeakPolarHBondContact CA-O 3.4Å; E465-S486 PolarHBondContact N-O 3.27Å; E465-S486 PolarHBondContact O-N 3.26Å |
| 487 | C | 72.9 | Confident | 61.2 | Low | 47 Ų | 47 | 63.2 Ų | 63.2 | 32% | 0.318 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 132.6 | 171.8 | -70.9 | 0 | 0 | 0 | 0 | 109.9 | P396 S489 | P396-C487 HydrophobicContact CG-CB 4.33Å; C487-S489 PolarHBondContact O-N 3.23Å |
| 488 | L | 54.2 | Low | 58.2 | Low | 98 Ų | 98 | 66 Ų | 66 | 51% | 0.513 | 48% | 0.482 | S | S | . | . | trans | -75.4 | 115.4 | 165.4 | -72.7 | 162.3 | 0 | 0 | 0 | 108.4 | Q463 A490 | Q463-L488 HydrophobicContact CG-CD1 4.34Å; Q463-L488 VanDerWaalsContact NE2-CD1 3.28Å; L488-A490 PolarHBondContact O-N 3.23Å | ||
| 489 | S | 38.6 | Very low | 55 | Low | 106 Ų | 106 | 71 Ų | 71 | 74% | 0.741 | 51% | 0.512 | S | S | * | . | trans | -69 | 114.9 | 170.4 | 46.5 | 0 | 0 | 0 | 0 | 109.1 | C487 G491 | C487-S489 PolarHBondContact O-N 3.23Å; S489-G491 PolarHBondContact O-N 3.44Å; S489-G491 VanDerWaalsContact O-N 3.1Å | ||
| 490 | A | 31.9 | Very low | 51.7 | Low | 98 Ų | 98 | 79.6 Ų | 79.6 | 81% | 0.81 | 56% | 0.556 | S | S | * | * | trans | -63.8 | 113.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | L488 S492 | L488-A490 PolarHBondContact O-N 3.23Å; A490-S492 PolarHBondContact O-N 2.83Å; A490-S492 VanDerWaalsContact O-N 3.14Å | ||
| 491 | G | 24.5 | Very low | 48.3 | Very low | 85 Ų | 85 | 84 Ų | 84 | 88% | 0.876 | 59% | 0.587 | S | S | * | * | trans | -65.3 | 112 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S489 | S489-G491 PolarHBondContact O-N 3.44Å; S489-G491 VanDerWaalsContact O-N 3.1Å | ||
| 492 | S | 27.6 | Very low | 45.1 | Very low | 117 Ų | 117 | 89 Ų | 89 | 82% | 0.818 | 62% | 0.618 | S | S | * | * | trans | -139.9 | 143.3 | 158.5 | 57.6 | 0 | 0 | 0 | 0 | 108.5 | A490 | A490-S492 PolarHBondContact O-N 2.83Å; A490-S492 VanDerWaalsContact O-N 3.14Å | ||
| 493 | G | 25.4 | Very low | 41.9 | Very low | 82 Ų | 82 | 94 Ų | 94 | 85% | 0.845 | 65% | 0.651 | S | S | * | * | trans | -92 | 172.4 | -158 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 494 | G | 24.6 | Very low | 38.6 | Very low | 83 Ų | 83 | 97.2 Ų | 97.2 | 86% | 0.856 | 68% | 0.684 | S | S | * | * | trans | 96.9 | 80.3 | 150.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 495 | G | 25 | Very low | 35.4 | Very low | 83 Ų | 83 | 101.8 Ų | 101.8 | 86% | 0.856 | 72% | 0.719 | S | S | * | * | trans | 78.7 | 160.4 | 140.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 496 | G | 24.9 | Very low | 32.3 | Very low | 72 Ų | 72 | 104.9 Ų | 104.9 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | trans | 94.1 | 101.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 116 | A498 | G496-A498 PolarHBondContact O-N 3.49Š| ||
| 497 | F | 26 | Very low | 29.6 | Very low | 230 Ų | 230 | 107.6 Ų | 107.6 | 100% | 1.009 | 77% | 0.768 | S | S | * | * | trans | -58.4 | 118.7 | 146.4 | -79.5 | -98.2 | 0 | 0 | 0 | 108.2 | ||||
| 498 | A | 26.7 | Very low | 27.6 | Very low | 88 Ų | 88 | 112.1 Ų | 112.1 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -148.4 | 108 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G496 | G496-A498 PolarHBondContact O-N 3.49Š| ||
| 499 | N | 25.1 | Very low | 27.1 | Very low | 143 Ų | 143 | 111.6 Ų | 111.6 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | trans | 23.8 | 125.7 | 145.6 | -62.5 | -21.1 | 0 | 0 | 0 | 119.5 | S501 | N499-S501 VanDerWaalsContact C-N 3.27Å; N499-S501 PolarHBondContact O-N 3.05Å; N499-S501 PolarHBondContact O-OG 2.92Å | ||
| 500 | I | 25.2 | Very low | 27.6 | Very low | 184 Ų | 184 | 107.4 Ų | 107.4 | 94% | 0.944 | 75% | 0.748 | S | S | * | * | trans | -55.1 | 94.9 | 150.5 | -60.9 | 168.3 | 0 | 0 | 0 | 107.8 | ||||
| 501 | S | 22.8 | Very low | 28.4 | Very low | 92 Ų | 92 | 104.3 Ų | 104.3 | 64% | 0.643 | 72% | 0.719 | S | S | * | * | trans | -121.3 | 121.7 | 174.1 | 54.6 | 0 | 0 | 0 | 0 | 108.7 | N499 T503 | N499-S501 VanDerWaalsContact C-N 3.27Å; N499-S501 PolarHBondContact O-N 3.05Å; N499-S501 PolarHBondContact O-OG 2.92Å; S501-T503 PolarHBondContact O-N 3.23Å | ||
| 502 | T | 24 | Very low | 29.3 | Very low | 135 Ų | 135 | 101.4 Ų | 101.4 | 83% | 0.828 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -66.2 | 92.8 | 176.4 | 45.9 | 0 | 0 | 0 | 0 | 110.2 | ||
| 503 | T | 23.8 | Very low | 29.4 | Very low | 136 Ų | 136 | 100.6 Ų | 100.6 | 83% | 0.834 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 170.4 | 137.9 | 148.1 | 26.5 | 0 | 0 | 0 | 0 | 111.3 | S501 | S501-T503 PolarHBondContact O-N 3.23Š|
| 504 | G | 22.7 | Very low | 29.6 | Very low | 68 Ų | 68 | 101.6 Ų | 101.6 | 70% | 0.701 | 67% | 0.668 | S | S | * | * | S | Bend | trans | 85.9 | 122.3 | 160.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | A506 | G504-A506 PolarHBondContact O-N 3.41Š|
| 505 | S | 23.2 | Very low | 29.9 | Very low | 126 Ų | 126 | 102.6 Ų | 102.6 | 88% | 0.881 | 66% | 0.658 | S | S | * | * | trans | 52 | 51.6 | 162.9 | 62 | 0 | 0 | 0 | 0 | 118.3 | S507 | S505-S507 PolarHBondContact O-N 3.07Š| ||
| 506 | A | 25.5 | Very low | 30.2 | Very low | 83 Ų | 83 | 103.8 Ų | 103.8 | 69% | 0.686 | 65% | 0.646 | S | S | * | * | trans | -64 | 120.5 | 153.5 | 0 | 0 | 0 | 0 | 0 | 109 | G504 F508 | G504-A506 PolarHBondContact O-N 3.41Å; A506-F508 PolarHBondContact O-N 3.23Å; A506-F508 VanDerWaalsContact O-N 3.14Å | ||
| 507 | S | 27.4 | Very low | 30.5 | Very low | 104 Ų | 104 | 105.8 Ų | 105.8 | 73% | 0.727 | 64% | 0.64 | S | S | * | * | trans | -58.8 | 115 | 166.4 | 51.6 | 0 | 0 | 0 | 0 | 108.5 | S505 N509 | S505-S507 PolarHBondContact O-N 3.07Å; S507-N509 VanDerWaalsContact C-N 3.3Å; S507-N509 PolarHBondContact O-N 3Å | ||
| 508 | F | 30.8 | Very low | 30.8 | Very low | 141 Ų | 141 | 97.5 Ų | 97.5 | 62% | 0.618 | 62% | 0.615 | S | S | * | * | trans | -67.4 | 85.9 | 179.8 | -93.1 | -100.3 | 0 | 0 | 0 | 110.5 | A506 Y510 | A506-F508 PolarHBondContact O-N 3.23Å; A506-F508 VanDerWaalsContact O-N 3.14Å; F508-Y510 HydrophobicContact CD1-CD2 4.43Å; F508-Y510 HydrophobicContact CD1-CE2 4.14Å; F508-Y510 PolarHBondContact O-N 3.42Å | ||
| 509 | N | 43.7 | Very low | 31.1 | Very low | 87 Ų | 87 | 98.1 Ų | 98.1 | 47% | 0.465 | 61% | 0.607 | S | S | . | * | trans | -66.2 | 110.3 | 153.8 | -84.5 | -27.8 | 0 | 0 | 0 | 106.5 | Q462 S507 P511 | Q462-N509 PolarHBondContact NE2-OD1 2.64Å; Q462-N509 VanDerWaalsContact NE2-OD1 3.15Å; S507-N509 VanDerWaalsContact C-N 3.3Å; S507-N509 PolarHBondContact O-N 3Å; N509-P511 WeakPolarHBondContact O-CD 3.36Å | ||
| 510 | Y | 48.2 | Very low | 31.5 | Very low | 18 Ų | 18 | 94.7 Ų | 94.7 | 7% | 0.071 | 60% | 0.595 | C | S | . | * | trans | -71.7 | 118.9 | 174.4 | -124.3 | -92 | 0 | 0 | 0 | 108.1 | S420 V422 I425 F452 Q462 F508 L512 | S420-Y510 PolarHBondContact OG-OH 3.41Å; V422-Y510 HydrophobicContact CB-CE2 4.28Å; V422-Y510 HydrophobicContact CG2-CD2 4.39Å; V422-Y510 HydrophobicContact CG2-CE1 4.47Å; V422-Y510 HydrophobicContact CG2-CE2 3.38Å; V422-Y510 VanDerWaalsContact CG2-CZ 3.44Å; V422-Y510 VanDerWaalsContact CG2-OH 3.22Å; V422-Y510 WeakPolarHBondContact CG2-OH 3.15Å; I425-Y510 HydrophobicContact CD1-CD1 4.16Å; I425-Y510 HydrophobicContact CD1-CE1 3.97Å; F452-Y510 HydrophobicContact CD1-CD2 4.46Å; F452-Y510 HydrophobicContact CD2-CD2 4.13Å; F452-Y510 HydrophobicContact CD2-CE2 4.37Å; F452-Y510 HydrophobicContact CE1-CD2 4.14Å; F452-Y510 HydrophobicContact CE1-CG 4.43Å; F452-Y510 AromaticContact CE2-CD2 3.79Å; F452-Y510 HydrophobicContact CE2-CD2 3.79Å; F452-Y510 HydrophobicContact CE2-CE2 4.2Å; F452-Y510 HydrophobicContact CG-CD2 4.46Å; F452-Y510 AromaticContact CZ-CD2 3.79Å; F452-Y510 HydrophobicContact CZ-CD2 3.79Å; Q462-Y510 PolarHBondContact OE1-O 3.47Å; F508-Y510 HydrophobicContact CD1-CD2 4.43Å; F508-Y510 HydrophobicContact CD1-CE2 4.14Å; F508-Y510 PolarHBondContact O-N 3.42Å; Y510-L512 HydrophobicContact CD1-CD1 4.13Å; Y510-L512 HydrophobicContact CE1-CD1 4.46Å; Y510-L512 PolarHBondContact O-N 2.97Å | ||
| 511 | P | 48.7 | Very low | 32.1 | Very low | 33 Ų | 33 | 87.3 Ų | 87.3 | 21% | 0.214 | 57% | 0.566 | C | S | . | * | trans | -88.1 | 50.7 | -169.7 | 37.4 | -37.3 | 0 | 0 | 0 | 111.1 | Y412 I416 N509 | Y412-P511 HydrophobicContact CD1-CB 3.63Å; Y412-P511 HydrophobicContact CD1-CG 3.58Å; Y412-P511 HydrophobicContact CE1-CB 3.37Å; Y412-P511 HydrophobicContact CE1-CG 3.62Å; I416-P511 HydrophobicContact CG2-CG 3.92Å; N509-P511 WeakPolarHBondContact O-CD 3.36Å | ||
| 512 | L | 44.3 | Very low | 32.9 | Very low | 24 Ų | 24 | 86.8 Ų | 86.8 | 13% | 0.126 | 56% | 0.559 | C | S | . | * | trans | -109.8 | 0 | -178.9 | -105.4 | 173.5 | 0 | 0 | 0 | 111.9 | A375 I417 I425 R448 R485 Y510 | A375-L512 HydrophobicContact CB-CD2 4.18Å; A375-L512 VanDerWaalsContact O-CD2 3.26Å; A375-L512 WeakPolarHBondContact O-CD2 3.27Å; I417-L512 HydrophobicContact CD1-CD2 3.64Å; I417-L512 HydrophobicContact CD1-CG 4.19Å; I417-L512 HydrophobicContact CG1-CD2 4.38Å; I417-L512 HydrophobicContact CG1-CG 4.4Å; I425-L512 HydrophobicContact CD1-CD1 3.45Å; I425-L512 VanDerWaalsContact CD1-CD1 3.45Å; R448-L512 PolarHBondContact NH1-O 2.95Å; R448-L512 PolarHBondContact NH1-OXT 3.44Å; R448-L512 PolarHBondContact NH2-O 3.11Å; R448-L512 PolarHBondContact NH2-OXT 3.36Å; R485-L512 PolarHBondContact NH2-O 3.3Å; Y510-L512 HydrophobicContact CD1-CD1 4.13Å; Y510-L512 HydrophobicContact CE1-CD1 4.46Å; Y510-L512 PolarHBondContact O-N 2.97Å |
Retrieved 512 of 512 residues in 148.4 ms
(Link to these results)