| 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 | 33.3 | Very low | 32.1 | Very low | 242 Ų | 242 | 208.3 Ų | 208.3 | 100% | 1.192 | 90% | 0.898 | S | S | * | * | 0 | -6.6 | 0 | -82.3 | -178.5 | 174.8 | 0 | 0 | 115.8 | F3 | M1-F3 PolarHBondContact O-N 3.29Š| |||
| 2 | R | 32 | Very low | 32.4 | Very low | 256 Ų | 256 | 201 Ų | 201 | 97% | 0.966 | 89% | 0.888 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | 5.9 | -179.8 | -85.2 | -175.1 | 179.1 | 175.1 | 0.2 | 116.6 | ||
| 3 | F | 37 | Very low | 33.3 | Very low | 203 Ų | 203 | 196.8 Ų | 196.8 | 89% | 0.89 | 86% | 0.864 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -5.2 | -169.8 | -133.1 | -91.9 | 0 | 0 | 0 | 116 | M1 | M1-F3 PolarHBondContact O-N 3.29Š|
| 4 | F | 37.1 | Very low | 34.6 | Very low | 198 Ų | 198 | 189.9 Ų | 189.9 | 87% | 0.868 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -101.7 | 4.9 | -170.5 | -105.4 | -81.2 | 0 | 0 | 0 | 117 | ||
| 5 | W | 35.5 | Very low | 35.8 | Very low | 252 Ų | 252 | 181.8 Ų | 181.8 | 96% | 0.955 | 81% | 0.814 | S | S | * | * | trans | -102.7 | 17.7 | -177.7 | -86.4 | 95.5 | 0 | 0 | 0 | 115.8 | ||||
| 6 | R | 28.6 | Very low | 37.2 | Very low | 240 Ų | 240 | 175.9 Ų | 175.9 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -114 | 83.7 | 170.4 | -90 | -169.3 | -171.7 | -173.9 | 3.3 | 111.8 | ||
| 7 | R | 25.7 | Very low | 38.8 | Very low | 225 Ų | 225 | 166.6 Ų | 166.6 | 85% | 0.849 | 76% | 0.757 | S | S | * | * | trans | 159.4 | 83.1 | 140.4 | -94.9 | 178.8 | 173.4 | 168.3 | -1.3 | 109.3 | ||||
| 8 | H | 29.8 | Very low | 40.1 | Very low | 173 Ų | 173 | 160.8 Ų | 160.8 | 80% | 0.801 | 73% | 0.73 | S | S | * | * | trans | -154.3 | 82.2 | 142.9 | -92 | -65.5 | 0 | 0 | 0 | 105.5 | R10 | H8-R10 PolarHBondContact O-N 3.4Š| ||
| 9 | D | 28.4 | Very low | 41.4 | Very low | 166 Ų | 166 | 160.2 Ų | 160.2 | 89% | 0.888 | 72% | 0.721 | S | S | * | * | trans | -67.4 | 74.9 | 163 | -70.7 | -37.6 | 0 | 0 | 0 | 107.8 | ||||
| 10 | R | 31.1 | Very low | 42.9 | Very low | 213 Ų | 213 | 155.5 Ų | 155.5 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | trans | -125.4 | 90.2 | 156.4 | -73.3 | -173.3 | 178.4 | -176.4 | 0.4 | 103.8 | H8 P12 | H8-R10 PolarHBondContact O-N 3.4Å; R10-P12 WeakPolarHBondContact O-CD 3.43Å; R10-P12 VanDerWaalsContact O-N 3.12Å | ||
| 11 | T | 34.3 | Very low | 44.4 | Very low | 123 Ų | 123 | 149.1 Ų | 149.1 | 76% | 0.755 | 68% | 0.677 | S | S | * | * | trans | -53.1 | 119.3 | 171.7 | 39.6 | 0 | 0 | 0 | 0 | 107.6 | Y13 | T11-Y13 PolarHBondContact O-N 3.23Š| ||
| 12 | P | 36.6 | Very low | 46.3 | Very low | 121 Ų | 121 | 139 Ų | 139 | 79% | 0.786 | 63% | 0.629 | S | S | * | * | trans | -61.8 | 129.6 | 175.8 | 22.8 | -29.5 | 0 | 0 | 0 | 108.1 | R10 D14 | R10-P12 WeakPolarHBondContact O-CD 3.43Å; R10-P12 VanDerWaalsContact O-N 3.12Å; P12-D14 PolarHBondContact O-N 2.78Å | ||
| 13 | Y | 43.3 | Very low | 48.2 | Very low | 146 Ų | 146 | 127.8 Ų | 127.8 | 57% | 0.573 | 59% | 0.59 | S | S | * | * | trans | -56.8 | 105.1 | 177.2 | 176.2 | -96.4 | 0 | 0 | 0 | 109.1 | T11 P15 | T11-Y13 PolarHBondContact O-N 3.23Å; Y13-P15 HydrophobicContact CE1-CB 4.38Å; Y13-P15 VanDerWaalsContact O-CD 3.29Å; Y13-P15 WeakPolarHBondContact O-CD 3.29Å | ||
| 14 | D | 51.9 | Low | 50.1 | Low | 101 Ų | 101 | 124.4 Ų | 124.4 | 54% | 0.54 | 57% | 0.571 | S | S | . | * | trans | -89.5 | 106.6 | 176.4 | -172.8 | 3.7 | 0 | 0 | 0 | 108.8 | P12 D16 G17 | P12-D14 PolarHBondContact O-N 2.78Å; D14-D16 PolarHBondContact O-N 2.97Å; D14-D16 PolarHBondContact OD1-N 3.41Å; D14-G17 PolarHBondContact O-N 3.19Å | ||
| 15 | P | 52.8 | Low | 52.1 | Low | 68 Ų | 68 | 116.4 Ų | 116.4 | 44% | 0.442 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61 | -26 | 179.2 | 25.2 | -33.3 | 0 | 0 | 0 | 112.3 | Y13 G17 K18 | Y13-P15 HydrophobicContact CE1-CB 4.38Å; Y13-P15 VanDerWaalsContact O-CD 3.29Å; Y13-P15 WeakPolarHBondContact O-CD 3.29Å; P15-G17 VanDerWaalsContact C-N 3.3Å; P15-K18 PolarHBondContact O-N 2.89Å |
| 16 | D | 58.6 | Low | 54 | Low | 88 Ų | 88 | 106.2 Ų | 106.2 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.1 | -32.2 | 176.2 | -73.5 | -10.6 | 0 | 0 | 0 | 111.2 | D14 K18 W19 T20 | D14-D16 PolarHBondContact O-N 2.97Å; D14-D16 PolarHBondContact OD1-N 3.41Å; D16-K18 PolarHBondContact O-N 3.45Å; D16-W19 PolarHBondContact O-N 3.37Å; D16-T20 WeakPolarHBondContact O-CG2 2.87Å; D16-T20 PolarHBondContact O-N 3.04Å; D16-T20 PolarHBondContact O-OG1 3.21Å |
| 17 | G | 64.2 | Low | 56.2 | Low | 18 Ų | 18 | 100.5 Ų | 100.5 | 19% | 0.186 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -56 | -46.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D14 P15 W19 T20 N21 | D14-G17 PolarHBondContact O-N 3.19Å; P15-G17 VanDerWaalsContact C-N 3.3Å; G17-W19 PolarHBondContact O-N 3.46Å; G17-T20 PolarHBondContact O-N 3.44Å; G17-T20 PolarHBondContact O-OG1 3.17Å; G17-N21 PolarHBondContact O-N 3.45Å; G17-N21 PolarHBondContact O-ND2 3.37Å |
| 18 | K | 61.8 | Low | 58.8 | Low | 61 Ų | 61 | 97.8 Ų | 97.8 | 27% | 0.265 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -57.2 | -51.4 | 177 | 177.5 | 171.3 | 171.6 | 162.3 | 0 | 111.5 | P15 D16 T20 N21 V22 E114 | P15-K18 PolarHBondContact O-N 2.89Å; D16-K18 PolarHBondContact O-N 3.45Å; K18-T20 VanDerWaalsContact C-N 3.32Å; K18-T20 PolarHBondContact O-N 3.43Å; K18-N21 PolarHBondContact O-N 3.21Å; K18-N21 VanDerWaalsContact O-N 3.16Å; K18-V22 HydrophobicContact CG-CG2 4.42Å; K18-V22 WeakPolarHBondContact O-CG2 3.41Å; K18-V22 PolarHBondContact O-N 2.88Å; K18-E114 VanDerWaalsContact CE-OE1 3.25Å; K18-E114 WeakPolarHBondContact CE-OE1 3.35Å; K18-E114 IonicContact NZ-OE1 3.9Å; K18-E114 PolarHBondContact NZ-OE1 3.35Å |
| 19 | W | 63.8 | Low | 61.3 | Low | 150 Ų | 150 | 90.7 Ų | 90.7 | 57% | 0.568 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.2 | -34.1 | -178.8 | -67.5 | 109.5 | 0 | 0 | 0 | 113.2 | D16 G17 S23 | D16-W19 PolarHBondContact O-N 3.37Å; G17-W19 PolarHBondContact O-N 3.46Å; W19-S23 WeakPolarHBondContact O-CB 3.01Å; W19-S23 PolarHBondContact O-N 3.12Å |
| 20 | T | 71.6 | Confident | 63.9 | Low | 66 Ų | 66 | 85.8 Ų | 85.8 | 41% | 0.405 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.4 | -39.2 | 173.4 | 64 | 0 | 0 | 0 | 0 | 112 | D16 G17 K18 S23 R24 | D16-T20 WeakPolarHBondContact O-CG2 2.87Å; D16-T20 PolarHBondContact O-N 3.04Å; D16-T20 PolarHBondContact O-OG1 3.21Å; G17-T20 PolarHBondContact O-N 3.44Å; G17-T20 PolarHBondContact O-OG1 3.17Å; K18-T20 VanDerWaalsContact C-N 3.32Å; K18-T20 PolarHBondContact O-N 3.43Å; T20-S23 VanDerWaalsContact O-CB 3.31Å; T20-S23 WeakPolarHBondContact O-CB 3.08Å; T20-S23 PolarHBondContact O-N 2.8Å; T20-R24 WeakPolarHBondContact O-CG 3.29Å; T20-R24 PolarHBondContact O-N 2.93Å |
| 21 | N | 75.4 | Confident | 66.4 | Low | 21 Ų | 21 | 75.7 Ų | 75.7 | 11% | 0.112 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.6 | -43 | 176.2 | -67.2 | -22.8 | 0 | 0 | 0 | 111.9 | G17 K18 S23 R24 E25 L112 S113 | G17-N21 PolarHBondContact O-N 3.45Å; G17-N21 PolarHBondContact O-ND2 3.37Å; K18-N21 PolarHBondContact O-N 3.21Å; K18-N21 VanDerWaalsContact O-N 3.16Å; N21-S23 PolarHBondContact O-N 3.47Å; N21-R24 PolarHBondContact O-N 2.97Å; N21-R24 VanDerWaalsContact O-N 3.11Å; N21-R24 PolarHBondContact OD1-NH1 3.03Å; N21-E25 PolarHBondContact O-N 2.85Å; N21-L112 HydrophobicContact CB-CD2 4.3Å; N21-L112 PolarHBondContact ND2-O 3.22Å; N21-L112 VanDerWaalsContact ND2-O 3.12Å; N21-S113 WeakPolarHBondContact ND2-CB 3.44Å; N21-S113 PolarHBondContact ND2-OG 3.41Å |
| 22 | V | 73.4 | Confident | 68.7 | Low | 30 Ų | 30 | 71.7 Ų | 71.7 | 18% | 0.182 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -53.3 | -46.1 | 170.7 | 171.2 | 0 | 0 | 0 | 0 | 110.1 | K18 R24 E25 V26 L112 V145 | K18-V22 HydrophobicContact CG-CG2 4.42Å; K18-V22 WeakPolarHBondContact O-CG2 3.41Å; K18-V22 PolarHBondContact O-N 2.88Å; V22-R24 PolarHBondContact O-N 3.16Å; V22-E25 PolarHBondContact O-N 3.05Å; V22-V26 HydrophobicContact CG1-CG2 4.39Å; V22-V26 VanDerWaalsContact O-CG2 3.3Å; V22-V26 WeakPolarHBondContact O-CG2 3.4Å; V22-V26 PolarHBondContact O-N 3.04Å; V22-L112 HydrophobicContact CB-CD2 4.23Å; V22-L112 HydrophobicContact CG2-CD1 4.46Å; V22-L112 HydrophobicContact CG2-CD2 3.51Å; V22-V145 HydrophobicContact CG1-CG1 4.28Å |
| 23 | S | 70.3 | Confident | 70.8 | Confident | 21 Ų | 21 | 70.5 Ų | 70.5 | 15% | 0.147 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.4 | -48 | 176.3 | -170.7 | 0 | 0 | 0 | 0 | 112.9 | W19 T20 N21 E25 V26 E27 K39 | W19-S23 WeakPolarHBondContact O-CB 3.01Å; W19-S23 PolarHBondContact O-N 3.12Å; T20-S23 VanDerWaalsContact O-CB 3.31Å; T20-S23 WeakPolarHBondContact O-CB 3.08Å; T20-S23 PolarHBondContact O-N 2.8Å; N21-S23 PolarHBondContact O-N 3.47Å; S23-E25 VanDerWaalsContact C-N 3.28Å; S23-E25 PolarHBondContact O-N 3.45Å; S23-V26 PolarHBondContact O-N 2.76Å; S23-E27 WeakPolarHBondContact O-CG 3.41Å; S23-E27 PolarHBondContact O-N 3.5Å; S23-E27 PolarHBondContact OG-OE1 3.11Å; S23-K39 PolarHBondContact OG-NZ 3.32Å |
| 24 | R | 77.5 | Confident | 72.6 | Confident | 132 Ų | 132 | 64.6 Ų | 64.6 | 50% | 0.498 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.6 | -37.9 | -179.8 | -69.8 | -177.4 | -151.7 | 134.2 | 9.4 | 111.3 | T20 N21 V22 E27 R28 | T20-R24 WeakPolarHBondContact O-CG 3.29Å; T20-R24 PolarHBondContact O-N 2.93Å; N21-R24 PolarHBondContact O-N 2.97Å; N21-R24 VanDerWaalsContact O-N 3.11Å; N21-R24 PolarHBondContact OD1-NH1 3.03Å; V22-R24 PolarHBondContact O-N 3.16Å; R24-E27 PolarHBondContact O-N 3.45Å; R24-R28 VanDerWaalsContact O-CG 3.29Å; R24-R28 WeakPolarHBondContact O-CG 3.46Å; R24-R28 PolarHBondContact O-N 3.32Å |
| 25 | E | 79.2 | Confident | 73.7 | Confident | 29 Ų | 29 | 60.8 Ų | 60.8 | 14% | 0.136 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71.5 | -39.5 | -179.8 | -159.4 | 58.1 | -153.8 | 0 | 0 | 111.8 | N21 V22 S23 E27 R28 N29 V145 | N21-E25 PolarHBondContact O-N 2.85Å; V22-E25 PolarHBondContact O-N 3.05Å; S23-E25 VanDerWaalsContact C-N 3.28Å; S23-E25 PolarHBondContact O-N 3.45Å; E25-E27 VanDerWaalsContact C-N 3.3Å; E25-E27 PolarHBondContact O-N 2.68Å; E25-R28 PolarHBondContact O-N 2.99Å; E25-R28 IonicContact OE2-NH1 3.9Å; E25-N29 WeakPolarHBondContact O-CB 3.22Å; E25-N29 PolarHBondContact O-N 2.84Å; E25-V145 HydrophobicContact CB-CG2 3.87Å; E25-V145 HydrophobicContact CG-CG2 3.92Å |
| 26 | V | 76.3 | Confident | 74 | Confident | 39 Ų | 39 | 61.4 Ų | 61.4 | 24% | 0.236 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.7 | -42.2 | 169.8 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | V22 S23 Y32 V145 | V22-V26 HydrophobicContact CG1-CG2 4.39Å; V22-V26 VanDerWaalsContact O-CG2 3.3Å; V22-V26 WeakPolarHBondContact O-CG2 3.4Å; V22-V26 PolarHBondContact O-N 3.04Å; S23-V26 PolarHBondContact O-N 2.76Å; V26-Y32 HydrophobicContact CB-CD2 4.09Å; V26-Y32 HydrophobicContact CB-CE2 4.11Å; V26-Y32 HydrophobicContact CG1-CD1 4.22Å; V26-Y32 HydrophobicContact CG1-CD2 3.69Å; V26-Y32 HydrophobicContact CG1-CE2 4.07Å; V26-Y32 HydrophobicContact CG1-CG 3.76Å; V26-Y32 HydrophobicContact CG2-CD2 4.38Å; V26-Y32 HydrophobicContact CG2-CE2 3.92Å; V26-Y32 VanDerWaalsContact O-CD2 3.25Å; V26-Y32 WeakPolarHBondContact O-CD2 3.35Å; V26-V145 HydrophobicContact CG2-CB 4.45Å; V26-V145 HydrophobicContact CG2-CG2 3.65Å |
| 27 | E | 74 | Confident | 73.6 | Confident | 120 Ų | 120 | 63.5 Ų | 63.5 | 56% | 0.561 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -69.7 | -29.6 | 178.2 | -75.9 | 170.2 | -157.6 | 0 | 0 | 113.5 | S23 R24 E25 K33 | S23-E27 WeakPolarHBondContact O-CG 3.41Å; S23-E27 PolarHBondContact O-N 3.5Å; S23-E27 PolarHBondContact OG-OE1 3.11Å; R24-E27 PolarHBondContact O-N 3.45Å; E25-E27 VanDerWaalsContact C-N 3.3Å; E25-E27 PolarHBondContact O-N 2.68Å; E27-K33 WeakPolarHBondContact O-CE 3.5Å |
| 28 | R | 80.1 | Confident | 72.3 | Confident | 167 Ų | 167 | 70.6 Ų | 70.6 | 63% | 0.63 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -74.5 | -37.4 | 177.1 | -77.7 | 171.6 | 175.9 | -174.9 | -2.8 | 111.9 | R24 E25 K33 | R24-R28 VanDerWaalsContact O-CG 3.29Å; R24-R28 WeakPolarHBondContact O-CG 3.46Å; R24-R28 PolarHBondContact O-N 3.32Å; E25-R28 PolarHBondContact O-N 2.99Å; E25-R28 IonicContact OE2-NH1 3.9Å; R28-K33 PolarHBondContact O-NZ 3.48Å |
| 29 | N | 83.3 | Confident | 71.3 | Confident | 24 Ų | 24 | 73.5 Ų | 73.5 | 13% | 0.128 | 33% | 0.326 | C | S | . | . | trans | -74 | 131.9 | -169.8 | -169.9 | -23.3 | 0 | 0 | 0 | 112.8 | E25 I31 Y32 K33 R143 G144 | E25-N29 WeakPolarHBondContact O-CB 3.22Å; E25-N29 PolarHBondContact O-N 2.84Å; N29-I31 VanDerWaalsContact C-N 3.33Å; N29-I31 PolarHBondContact O-N 3.41Å; N29-I31 PolarHBondContact OD1-N 3.44Å; N29-Y32 HydrophobicContact CB-CD2 3.81Å; N29-Y32 HydrophobicContact CB-CE2 4.01Å; N29-K33 PolarHBondContact O-N 3.27Å; N29-R143 PolarHBondContact ND2-O 2.96Å; N29-G144 WeakPolarHBondContact ND2-CA 3.47Å | ||
| 30 | N | 82.3 | Confident | 69.7 | Low | 64 Ų | 64 | 77.4 Ų | 77.4 | 34% | 0.342 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.2 | -30.7 | -174.4 | -70.9 | -22.1 | 0 | 0 | 0 | 113 | Y32 K33 W34 M85 | N30-Y32 PolarHBondContact O-N 3.42Å; N30-K33 WeakPolarHBondContact O-CB 3.12Å; N30-K33 PolarHBondContact O-N 3.19Å; N30-K33 VanDerWaalsContact O-N 3.16Å; N30-W34 HydrophobicContact CB-CZ2 4.02Å; N30-W34 PolarHBondContact O-N 3.34Å; N30-M85 HydrophobicContact CB-CE 3.79Å |
| 31 | I | 84.6 | Confident | 67.7 | Low | 0 Ų | 0 | 83.8 Ų | 83.8 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.9 | -46.7 | -178 | -53.2 | 177.3 | 0 | 0 | 0 | 110.5 | N29 K33 W34 W138 R142 L150 L153 | N29-I31 VanDerWaalsContact C-N 3.33Å; N29-I31 PolarHBondContact O-N 3.41Å; N29-I31 PolarHBondContact OD1-N 3.44Å; I31-K33 VanDerWaalsContact C-N 3.34Å; I31-K33 PolarHBondContact O-N 2.86Å; I31-W34 PolarHBondContact O-N 2.95Å; I31-W138 HydrophobicContact CD1-CH2 4.45Å; I31-W138 HydrophobicContact CD1-CZ2 3.55Å; I31-W138 HydrophobicContact CG1-CZ2 3.77Å; I31-R142 WeakPolarHBondContact CD1-O 3.45Å; I31-L150 HydrophobicContact CG2-CB 4.01Å; I31-L150 HydrophobicContact CG2-CD1 3.95Å; I31-L153 HydrophobicContact CG2-CD1 3.64Å |
| 32 | Y | 82.5 | Confident | 65.6 | Low | 40 Ų | 40 | 91.4 Ų | 91.4 | 16% | 0.157 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -69.4 | -32.4 | 177.7 | -52.3 | -72.1 | 0 | 0 | 0 | 112.4 | V26 N29 N30 W34 L35 Q36 V145 E148 L153 | V26-Y32 HydrophobicContact CB-CD2 4.09Å; V26-Y32 HydrophobicContact CB-CE2 4.11Å; V26-Y32 HydrophobicContact CG1-CD1 4.22Å; V26-Y32 HydrophobicContact CG1-CD2 3.69Å; V26-Y32 HydrophobicContact CG1-CE2 4.07Å; V26-Y32 HydrophobicContact CG1-CG 3.76Å; V26-Y32 HydrophobicContact CG2-CD2 4.38Å; V26-Y32 HydrophobicContact CG2-CE2 3.92Å; V26-Y32 VanDerWaalsContact O-CD2 3.25Å; V26-Y32 WeakPolarHBondContact O-CD2 3.35Å; N29-Y32 HydrophobicContact CB-CD2 3.81Å; N29-Y32 HydrophobicContact CB-CE2 4.01Å; N30-Y32 PolarHBondContact O-N 3.42Å; Y32-W34 VanDerWaalsContact C-N 3.3Å; Y32-W34 PolarHBondContact O-N 2.96Å; Y32-L35 PolarHBondContact O-N 3.16Å; Y32-Q36 PolarHBondContact O-N 3.43Å; Y32-V145 HydrophobicContact CE2-CG2 4.17Å; Y32-V145 PolarHBondContact OH-N 3.34Å; Y32-E148 WeakPolarHBondContact CE1-OE1 3.14Å; Y32-E148 VanDerWaalsContact CZ-OE1 3.26Å; Y32-E148 PolarHBondContact OH-OE1 2.95Å; Y32-E148 PolarHBondContact OH-OE2 3.06Å; Y32-L153 HydrophobicContact CD1-CD1 3.69Å; Y32-L153 HydrophobicContact CE1-CD1 3.67Å; Y32-L153 HydrophobicContact CE1-CD2 4.25Å |
| 33 | K | 80.1 | Confident | 63.3 | Low | 96 Ų | 96 | 101.4 Ų | 101.4 | 42% | 0.417 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.2 | -33.6 | 173.6 | -69.3 | 178.6 | -173.1 | 164.1 | 0 | 112.4 | E27 R28 N29 N30 I31 L35 Q36 | E27-K33 WeakPolarHBondContact O-CE 3.5Å; R28-K33 PolarHBondContact O-NZ 3.48Å; N29-K33 PolarHBondContact O-N 3.27Å; N30-K33 WeakPolarHBondContact O-CB 3.12Å; N30-K33 PolarHBondContact O-N 3.19Å; N30-K33 VanDerWaalsContact O-N 3.16Å; I31-K33 VanDerWaalsContact C-N 3.34Å; I31-K33 PolarHBondContact O-N 2.86Å; K33-L35 VanDerWaalsContact C-N 3.27Å; K33-L35 PolarHBondContact O-N 3.08Å; K33-Q36 WeakPolarHBondContact O-CG 3.37Å |
| 34 | W | 81.1 | Confident | 61.1 | Low | 22 Ų | 22 | 112.1 Ų | 112.1 | 8% | 0.083 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -72.1 | -22.5 | 178.8 | -60.6 | -24 | 0 | 0 | 0 | 113.4 | N30 I31 Y32 G60 S61 L62 F77 K81 V82 M85 W138 L150 | N30-W34 HydrophobicContact CB-CZ2 4.02Å; N30-W34 PolarHBondContact O-N 3.34Å; I31-W34 PolarHBondContact O-N 2.95Å; Y32-W34 VanDerWaalsContact C-N 3.3Å; Y32-W34 PolarHBondContact O-N 2.96Å; W34-G60 CarbonylContact O-C 3.55Å; W34-G60 WeakPolarHBondContact O-CA 3.02Å; W34-S61 PolarHBondContact O-N 3.48Å; W34-L62 HydrophobicContact CB-CB 4.37Å; W34-L62 WeakPolarHBondContact O-CB 3.25Å; W34-L62 PolarHBondContact O-N 3.48Å; W34-F77 HydrophobicContact CB-CZ 4.1Å; W34-F77 AromaticContact CD1-CZ 3.69Å; W34-F77 AromaticContact CD2-CE1 3.97Å; W34-F77 HydrophobicContact CD2-CE1 3.97Å; W34-F77 AromaticContact CD2-CZ 3.93Å; W34-F77 HydrophobicContact CD2-CZ 3.93Å; W34-F77 HydrophobicContact CE3-CE1 4.24Å; W34-F77 HydrophobicContact CG-CE1 4.12Å; W34-F77 AromaticContact CG-CZ 3.66Å; W34-F77 HydrophobicContact CG-CZ 3.66Å; W34-F77 AromaticContact NE1-CZ 3.96Å; W34-K81 HydrophobicContact CH2-CB 4.03Å; W34-K81 VanDerWaalsContact CH2-O 3.27Å; W34-K81 WeakPolarHBondContact CH2-O 3.3Å; W34-K81 HydrophobicContact CZ2-CB 3.65Å; W34-K81 HydrophobicContact CZ2-CG 4.46Å; W34-V82 HydrophobicContact CH2-CG2 4.42Å; W34-V82 HydrophobicContact CZ3-CG2 4.04Å; W34-M85 HydrophobicContact CH2-CE 3.13Å; W34-M85 HydrophobicContact CH2-CG 4.37Å; W34-M85 HydrophobicContact CH2-SD 3.39Å; W34-M85 WeakPolarHBondContact CH2-SD 3.49Å; W34-M85 HydrophobicContact CZ2-CE 3.35Å; W34-M85 HydrophobicContact CZ2-SD 4.23Å; W34-M85 HydrophobicContact CZ3-CE 4.13Å; W34-M85 HydrophobicContact CZ3-SD 3.93Å; W34-W138 HydrophobicContact CZ3-CH2 4.17Å; W34-L150 HydrophobicContact CE3-CD1 4.37Å; W34-L150 HydrophobicContact CE3-CD2 4.15Å; W34-L150 HydrophobicContact CZ3-CD2 4.29Å |
| 35 | L | 74.8 | Confident | 58.7 | Low | 20 Ų | 20 | 110.2 Ų | 110.2 | 11% | 0.105 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -98.6 | -10.6 | 177.6 | -62.2 | 172.4 | 0 | 0 | 0 | 113.8 | Y32 K33 R37 L150 L153 L154 | Y32-L35 PolarHBondContact O-N 3.16Å; K33-L35 VanDerWaalsContact C-N 3.27Å; K33-L35 PolarHBondContact O-N 3.08Å; L35-R37 PolarHBondContact O-N 3.27Å; L35-R37 VanDerWaalsContact O-N 3.17Å; L35-L150 HydrophobicContact CD1-CD1 4.23Å; L35-L150 HydrophobicContact CD2-CD1 4.23Å; L35-L150 HydrophobicContact CG-CD1 4.19Å; L35-L153 HydrophobicContact CD1-CB 3.44Å; L35-L153 VanDerWaalsContact CD1-CB 3.44Å; L35-L153 HydrophobicContact CD1-CD1 3.83Å; L35-L153 HydrophobicContact CD1-CG 4.29Å; L35-L154 HydrophobicContact CD2-CD2 3.52Å; L35-L154 HydrophobicContact CD2-CG 4.25Å |
| 36 | Q | 60.1 | Low | 56.6 | Low | 81 Ų | 81 | 118.5 Ų | 118.5 | 38% | 0.379 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 17.4 | 69.8 | -170.9 | -62.3 | -160.1 | 1 | 0 | 0 | 116.4 | Y32 K33 K38 S58 | Y32-Q36 PolarHBondContact O-N 3.43Å; K33-Q36 WeakPolarHBondContact O-CG 3.37Å; Q36-K38 PolarHBondContact O-N 3.41Å; Q36-S58 PolarHBondContact O-OG 3.17Å |
| 37 | R | 49.5 | Very low | 54.5 | Low | 133 Ų | 133 | 121.1 Ų | 121.1 | 50% | 0.502 | 53% | 0.527 | S | S | . | . | trans | -79.6 | 93.1 | 156.2 | -73.5 | 157.6 | 87.1 | 86.3 | 117.2 | 108.3 | L35 K39 L54 | L35-R37 PolarHBondContact O-N 3.27Å; L35-R37 VanDerWaalsContact O-N 3.17Å; R37-K39 PolarHBondContact O-N 2.97Å; R37-L54 HydrophobicContact CB-CD2 4.21Å; R37-L54 HydrophobicContact CG-CD2 4.13Å | ||
| 38 | K | 37.1 | Very low | 52.2 | Low | 166 Ų | 166 | 118.6 Ų | 118.6 | 72% | 0.722 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 130.1 | 170.2 | -87.4 | -175.8 | 179.1 | 172 | 0 | 110.1 | Q36 | Q36-K38 PolarHBondContact O-N 3.41Š|
| 39 | K | 39.9 | Very low | 49.9 | Very low | 123 Ų | 123 | 114.5 Ų | 114.5 | 54% | 0.535 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 139 | 178.1 | -76.7 | -172.9 | 172.4 | -167.7 | 0 | 112.1 | S23 R37 K41 | S23-K39 PolarHBondContact OG-NZ 3.32Å; R37-K39 PolarHBondContact O-N 2.97Å; K39-K41 PolarHBondContact O-N 2.87Å |
| 40 | R | 31.3 | Very low | 47.5 | Very low | 231 Ų | 231 | 120.1 Ų | 120.1 | 87% | 0.872 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 122.7 | 149.9 | -155.9 | 176.6 | 168.2 | 107.1 | -0.2 | 106.7 | Y42 | R40-Y42 PolarHBondContact O-N 2.96Š|
| 41 | K | 28.9 | Very low | 44.9 | Very low | 201 Ų | 201 | 125 Ų | 125 | 87% | 0.874 | 56% | 0.559 | S | S | * | * | trans | -53.2 | 110.6 | 173.8 | -159.3 | 175.7 | -172.1 | 176.4 | 0 | 107.2 | K39 R43 | K39-K41 PolarHBondContact O-N 2.87Å; K41-R43 PolarHBondContact O-N 2.88Å | ||
| 42 | Y | 31.1 | Very low | 42.1 | Very low | 181 Ų | 181 | 129.6 Ų | 129.6 | 71% | 0.71 | 59% | 0.587 | S | S | * | * | trans | -52.1 | 109.1 | -178.6 | -108.5 | -98.5 | 0 | 0 | 0 | 108.8 | R40 | R40-Y42 PolarHBondContact O-N 2.96Š| ||
| 43 | R | 24.8 | Very low | 39.3 | Very low | 240 Ų | 240 | 134.3 Ų | 134.3 | 91% | 0.906 | 62% | 0.62 | S | S | * | * | trans | -99.5 | 114 | 161.6 | -148 | -179.4 | -175.5 | -167 | 0.8 | 104.7 | K41 S45 | K41-R43 PolarHBondContact O-N 2.88Å; R43-S45 PolarHBondContact O-N 2.94Å; R43-S45 VanDerWaalsContact O-N 3.1Å | ||
| 44 | R | 25.7 | Very low | 37.1 | Very low | 246 Ų | 246 | 134.8 Ų | 134.8 | 93% | 0.928 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -22.8 | 105.8 | 178.4 | -73.5 | 174.8 | 170 | 145.5 | -3.5 | 113.1 | ||
| 45 | S | 26.1 | Very low | 34.4 | Very low | 92 Ų | 92 | 138.6 Ų | 138.6 | 64% | 0.643 | 66% | 0.657 | S | S | * | * | trans | -161.2 | 121.2 | 153.2 | -164.8 | 0 | 0 | 0 | 0 | 109 | R43 A47 | R43-S45 PolarHBondContact O-N 2.94Å; R43-S45 VanDerWaalsContact O-N 3.1Å; S45-A47 VanDerWaalsContact C-N 3.26Å; S45-A47 PolarHBondContact O-N 3.36Å | ||
| 46 | Y | 36 | Very low | 32.1 | Very low | 203 Ų | 203 | 143.5 Ų | 143.5 | 80% | 0.796 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 10.4 | -168 | -85.7 | -88.8 | 0 | 0 | 0 | 115 | ||
| 47 | A | 31.3 | Very low | 30.7 | Very low | 93 Ų | 93 | 148.4 Ų | 148.4 | 77% | 0.769 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.4 | 11.2 | -162.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | S45 | S45-A47 VanDerWaalsContact C-N 3.26Å; S45-A47 PolarHBondContact O-N 3.36Å |
| 48 | A | 26.4 | Very low | 30.1 | Very low | 68 Ų | 68 | 143.9 Ų | 143.9 | 56% | 0.562 | 70% | 0.698 | S | S | * | * | trans | -135.5 | 71.5 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 49 | T | 30.9 | Very low | 30.5 | Very low | 81 Ų | 81 | 137.2 Ų | 137.2 | 50% | 0.497 | 68% | 0.675 | S | S | . | * | trans | -110.6 | -10.8 | 179.6 | -41.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 50 | Y | 33.8 | Very low | 31.3 | Very low | 141 Ų | 141 | 131.4 Ų | 131.4 | 55% | 0.553 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -108.2 | -37.4 | -167.7 | -75.2 | -72 | 0 | 0 | 0 | 117.2 | F222 L270 | Y50-F222 AromaticContact CD1-CE2 3.92Å; Y50-F222 HydrophobicContact CD1-CE2 3.92Å; Y50-F222 HydrophobicContact CE1-CD2 4.25Å; Y50-F222 AromaticContact CE1-CE2 3.61Å; Y50-F222 HydrophobicContact CE1-CE2 3.61Å; Y50-L270 HydrophobicContact CD1-CD2 4.36Å; Y50-L270 HydrophobicContact CE1-CD2 4.29Å |
| 51 | F | 27.7 | Very low | 33.2 | Very low | 168 Ų | 168 | 122.2 Ų | 122.2 | 74% | 0.737 | 62% | 0.621 | S | S | * | * | trans | -156 | 111.4 | 174.1 | -88.4 | -90.1 | 0 | 0 | 0 | 108.4 | ||||
| 52 | T | 25.4 | Very low | 35.8 | Very low | 96 Ų | 96 | 112.8 Ų | 112.8 | 59% | 0.589 | 58% | 0.58 | S | S | * | * | trans | -158.9 | 104.2 | 165.1 | 18 | 0 | 0 | 0 | 0 | 110.8 | L54 | T52-L54 PolarHBondContact O-N 3.41Š| ||
| 53 | T | 24.1 | Very low | 38.2 | Very low | 139 Ų | 139 | 105.4 Ų | 105.4 | 85% | 0.853 | 55% | 0.552 | S | S | * | * | trans | 4.8 | 100.8 | 144.8 | 43.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 54 | L | 33.4 | Very low | 41 | Very low | 106 Ų | 106 | 98.1 Ų | 98.1 | 56% | 0.555 | 53% | 0.528 | S | S | * | . | trans | -82.2 | 123 | 171.3 | -90.2 | 104.2 | 0 | 0 | 0 | 111 | R37 T52 | R37-L54 HydrophobicContact CB-CD2 4.21Å; R37-L54 HydrophobicContact CG-CD2 4.13Å; T52-L54 PolarHBondContact O-N 3.41Å | ||
| 55 | S | 23.7 | Very low | 43.9 | Very low | 102 Ų | 102 | 87.6 Ų | 87.6 | 71% | 0.713 | 49% | 0.492 | S | S | * | . | trans | -113.4 | 149.7 | 171.2 | 62.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 56 | V | 27.3 | Very low | 46.8 | Very low | 122 Ų | 122 | 85.2 Ų | 85.2 | 74% | 0.739 | 47% | 0.47 | S | S | * | . | trans | 85.8 | 99 | 157 | -164 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 57 | H | 29.2 | Very low | 49.2 | Very low | 185 Ų | 185 | 80.6 Ų | 80.6 | 86% | 0.856 | 46% | 0.455 | S | S | * | . | trans | 36 | 86.3 | 139.3 | -56.4 | -53.1 | 0 | 0 | 0 | 121.2 | ||||
| 58 | S | 38.5 | Very low | 51.9 | Low | 37 Ų | 37 | 83.6 Ų | 83.6 | 26% | 0.259 | 45% | 0.453 | S | S | . | . | -137.6 | 116.8 | 111.9 | 60.7 | 0 | 0 | 0 | 0 | 105.9 | Q36 G60 | Q36-S58 PolarHBondContact O-OG 3.17Å; S58-G60 PolarHBondContact O-N 3.25Å | |||
| 59 | A | 44.9 | Very low | 54.8 | Low | 27 Ų | 27 | 84.6 Ų | 84.6 | 22% | 0.223 | 45% | 0.447 | C | S | . | . | trans | -64.3 | 133.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | I63 E64 | A59-I63 HydrophobicContact CB-CB 4.29Å; A59-I63 HydrophobicContact CB-CG2 4.18Å; A59-E64 HydrophobicContact CB-CG 3.42Å; A59-E64 VanDerWaalsContact CB-CG 3.42Å | ||
| 60 | G | 57 | Low | 57.6 | Low | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 44% | 0.435 | C | S | . | . | trans | -60.4 | 152.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.8 | W34 S58 L62 I63 E64 | W34-G60 CarbonylContact O-C 3.55Å; W34-G60 WeakPolarHBondContact O-CA 3.02Å; S58-G60 PolarHBondContact O-N 3.25Å; G60-L62 PolarHBondContact O-N 3.05Å; G60-I63 PolarHBondContact O-N 3.46Å; G60-E64 PolarHBondContact O-N 2.87Å | ||
| 61 | S | 71.6 | Confident | 60.4 | Low | 39 Ų | 39 | 81.9 Ų | 81.9 | 27% | 0.273 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -50.3 | -30.4 | 179.1 | 173.8 | 0 | 0 | 0 | 0 | 113 | W34 V65 | W34-S61 PolarHBondContact O-N 3.48Å; S61-V65 WeakPolarHBondContact O-CB 3.31Å; S61-V65 WeakPolarHBondContact O-CG2 3.46Å; S61-V65 PolarHBondContact O-N 2.91Å; S61-V65 VanDerWaalsContact O-N 3.17Å |
| 62 | L | 82.1 | Confident | 63.4 | Low | 2 Ų | 2 | 81.2 Ų | 81.2 | 1% | 0.01 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -75.2 | -39.5 | 176.2 | -179.7 | 58.8 | 0 | 0 | 0 | 113.1 | W34 G60 V65 F66 V74 F77 L150 I165 | W34-L62 HydrophobicContact CB-CB 4.37Å; W34-L62 WeakPolarHBondContact O-CB 3.25Å; W34-L62 PolarHBondContact O-N 3.48Å; G60-L62 PolarHBondContact O-N 3.05Å; L62-V65 PolarHBondContact O-N 3.37Å; L62-F66 PolarHBondContact O-N 3.31Å; L62-V74 HydrophobicContact CD1-CG1 4.42Å; L62-V74 HydrophobicContact CD1-CG2 4.41Å; L62-F77 HydrophobicContact CB-CE1 4.27Å; L62-F77 HydrophobicContact CB-CZ 4.19Å; L62-F77 HydrophobicContact CD1-CB 4.33Å; L62-F77 HydrophobicContact CD1-CD1 3.62Å; L62-F77 HydrophobicContact CD1-CE1 3.99Å; L62-F77 HydrophobicContact CD1-CG 3.92Å; L62-L150 HydrophobicContact CD2-CD1 4.13Å; L62-L150 HydrophobicContact CD2-CD2 4Å; L62-L150 HydrophobicContact CD2-CG 4.49Å; L62-I165 HydrophobicContact CD1-CG2 4.42Å; L62-I165 HydrophobicContact CD2-CG2 3.95Å; L62-I165 HydrophobicContact CG-CG2 4.17Å |
| 63 | I | 83.2 | Confident | 66.4 | Low | 27 Ų | 27 | 76.7 Ų | 76.7 | 14% | 0.138 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -69.5 | -40.1 | 178.7 | -60.4 | 173 | 0 | 0 | 0 | 109.6 | A59 G60 F66 E67 I165 | A59-I63 HydrophobicContact CB-CB 4.29Å; A59-I63 HydrophobicContact CB-CG2 4.18Å; G60-I63 PolarHBondContact O-N 3.46Å; I63-F66 PolarHBondContact O-N 3.07Å; I63-E67 WeakPolarHBondContact O-CG 3.43Å; I63-E67 PolarHBondContact O-N 3.17Å; I63-I165 HydrophobicContact CG1-CD1 4.34Å |
| 64 | E | 83.6 | Confident | 69.7 | Low | 86 Ų | 86 | 70 Ų | 70 | 40% | 0.402 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 174 | -67 | -179.6 | 164 | 0 | 0 | 111.9 | A59 G60 F66 E67 Q68 | A59-E64 HydrophobicContact CB-CG 3.42Å; A59-E64 VanDerWaalsContact CB-CG 3.42Å; G60-E64 PolarHBondContact O-N 2.87Å; E64-F66 VanDerWaalsContact C-N 3.33Å; E64-F66 PolarHBondContact O-N 3.23Å; E64-E67 PolarHBondContact O-N 2.83Å; E64-Q68 WeakPolarHBondContact O-CB 3.38Å; E64-Q68 WeakPolarHBondContact O-CG 3.49Å; E64-Q68 PolarHBondContact O-N 3.38Å |
| 65 | V | 85.3 | Confident | 72.4 | Confident | 26 Ų | 26 | 67.1 Ų | 67.1 | 16% | 0.158 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.5 | -41 | 176.4 | 166.8 | 0 | 0 | 0 | 0 | 111.1 | S61 L62 E67 Q68 E69 G73 F77 | S61-V65 WeakPolarHBondContact O-CB 3.31Å; S61-V65 WeakPolarHBondContact O-CG2 3.46Å; S61-V65 PolarHBondContact O-N 2.91Å; S61-V65 VanDerWaalsContact O-N 3.17Å; L62-V65 PolarHBondContact O-N 3.37Å; V65-E67 VanDerWaalsContact C-N 3.35Å; V65-Q68 PolarHBondContact O-N 2.87Å; V65-E69 PolarHBondContact O-N 3Å; V65-G73 VanDerWaalsContact CG1-O 3.29Å; V65-G73 WeakPolarHBondContact CG1-O 3.39Å; V65-F77 HydrophobicContact CG1-CB 4.37Å; V65-F77 HydrophobicContact CG2-CD2 4.29Å |
| 66 | F | 87.3 | Confident | 75.6 | Confident | 41 Ų | 41 | 69.8 Ų | 69.8 | 18% | 0.18 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.2 | -38.8 | 174.6 | 178.8 | -111.6 | 0 | 0 | 0 | 112.4 | L62 I63 E64 G70 V74 K161 E164 I165 I168 | L62-F66 PolarHBondContact O-N 3.31Å; I63-F66 PolarHBondContact O-N 3.07Å; E64-F66 VanDerWaalsContact C-N 3.33Å; E64-F66 PolarHBondContact O-N 3.23Å; F66-G70 WeakPolarHBondContact O-CA 3.33Å; F66-G70 PolarHBondContact O-N 2.96Å; F66-V74 HydrophobicContact CB-CG2 3.72Å; F66-V74 HydrophobicContact CD2-CG2 3.62Å; F66-V74 HydrophobicContact CG-CG2 4.1Å; F66-K161 HydrophobicContact CD1-CB 4.36Å; F66-K161 HydrophobicContact CE1-CB 4.26Å; F66-K161 HydrophobicContact CE1-CG 4.46Å; F66-E164 HydrophobicContact CZ-CB 4.13Å; F66-E164 HydrophobicContact CZ-CG 4.25Å; F66-I165 HydrophobicContact CB-CD1 3.69Å; F66-I165 HydrophobicContact CB-CG1 3.87Å; F66-I165 HydrophobicContact CD1-CD1 3.97Å; F66-I165 HydrophobicContact CD1-CG1 3.92Å; F66-I165 HydrophobicContact CD2-CG1 3.88Å; F66-I165 HydrophobicContact CE1-CG1 4.43Å; F66-I165 HydrophobicContact CE2-CG1 4.39Å; F66-I165 HydrophobicContact CG-CD1 3.84Å; F66-I165 HydrophobicContact CG-CG1 3.6Å; F66-I168 HydrophobicContact CD2-CD1 4.22Å; F66-I168 HydrophobicContact CE2-CD1 3.66Å |
| 67 | E | 87.2 | Confident | 78.6 | Confident | 106 Ų | 106 | 64.4 Ų | 64.4 | 50% | 0.495 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.5 | -33.9 | 176.7 | -74.4 | 179.6 | 171.4 | 0 | 0 | 113.1 | I63 E64 V65 K161 | I63-E67 WeakPolarHBondContact O-CG 3.43Å; I63-E67 PolarHBondContact O-N 3.17Å; E64-E67 PolarHBondContact O-N 2.83Å; V65-E67 VanDerWaalsContact C-N 3.35Å; E67-K161 IonicContact OE1-NZ 2.63Å; E67-K161 PolarHBondContact OE1-NZ 2.96Å |
| 68 | Q | 87.4 | Confident | 81.5 | Confident | 156 Ų | 156 | 55.6 Ų | 55.6 | 73% | 0.729 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -88.7 | -45.5 | -176.5 | -69.1 | 178.3 | 9.8 | 0 | 0 | 113.6 | E64 V65 | E64-Q68 WeakPolarHBondContact O-CB 3.38Å; E64-Q68 WeakPolarHBondContact O-CG 3.49Å; E64-Q68 PolarHBondContact O-N 3.38Å; V65-Q68 PolarHBondContact O-N 2.87Å |
| 69 | E | 87.3 | Confident | 83.9 | Confident | 90 Ų | 90 | 56.6 Ų | 56.6 | 42% | 0.421 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -113.5 | -3.4 | -170.2 | -68.2 | -175.5 | -165.1 | 0 | 0 | 112.7 | V65 G73 R76 | V65-E69 PolarHBondContact O-N 3Å; E69-G73 VanDerWaalsContact CB-CA 3.49Å; E69-G73 PolarHBondContact O-N 3.44Å; E69-G73 WeakPolarHBondContact OE2-CA 3.34Å; E69-R76 IonicContact OE1-NH1 3.95Å; E69-R76 IonicContact OE2-NH1 3.29Å; E69-R76 PolarHBondContact OE2-NH1 2.8Å |
| 70 | G | 90.4 | Very high | 86 | Confident | 25 Ų | 25 | 61.5 Ų | 61.5 | 26% | 0.258 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | 62.7 | -140.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | F66 V74 | F66-G70 WeakPolarHBondContact O-CA 3.33Å; F66-G70 PolarHBondContact O-N 2.96Å; G70-V74 PolarHBondContact O-N 3.08Å |
| 71 | R | 91.8 | Very high | 87.5 | Confident | 140 Ų | 140 | 64.5 Ų | 64.5 | 53% | 0.528 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.4 | -48 | -178.1 | -178.5 | 177.3 | 176 | -174.7 | -2.5 | 112.2 | G73 V74 L75 I168 E172 | R71-G73 VanDerWaalsContact C-N 3.31Å; R71-G73 PolarHBondContact O-N 3.23Å; R71-V74 WeakPolarHBondContact O-CB 3.27Å; R71-V74 PolarHBondContact O-N 3.16Å; R71-V74 VanDerWaalsContact O-N 3.16Å; R71-L75 HydrophobicContact CG-CG 4.47Å; R71-L75 WeakPolarHBondContact O-CG 3.31Å; R71-L75 PolarHBondContact O-N 3.34Å; R71-L75 VanDerWaalsContact O-N 3.08Å; R71-I168 HydrophobicContact CB-CD1 4.16Å; R71-I168 HydrophobicContact CG-CD1 4.15Å; R71-I168 HydrophobicContact CG-CG1 4.18Å; R71-I168 HydrophobicContact CG-CG2 3.89Å; R71-E172 IonicContact CZ-OE1 3.86Å; R71-E172 IonicContact NE-OE1 3.03Å; R71-E172 IonicContact NH2-OE1 2.69Å; R71-E172 PolarHBondContact NH2-OE1 3.11Å |
| 72 | E | 90.6 | Very high | 88.4 | Confident | 153 Ų | 153 | 62.8 Ų | 62.8 | 72% | 0.715 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.6 | -37.6 | -175.9 | -66.3 | -170.2 | 169.7 | 0 | 0 | 112.5 | L75 R76 | E72-L75 PolarHBondContact O-N 3.36Å; E72-R76 PolarHBondContact O-N 2.62Å |
| 73 | G | 89.3 | Confident | 88.8 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | V65 E69 R71 L75 R76 F77 | V65-G73 VanDerWaalsContact CG1-O 3.29Å; V65-G73 WeakPolarHBondContact CG1-O 3.39Å; E69-G73 VanDerWaalsContact CB-CA 3.49Å; E69-G73 PolarHBondContact O-N 3.44Å; E69-G73 WeakPolarHBondContact OE2-CA 3.34Å; R71-G73 VanDerWaalsContact C-N 3.31Å; R71-G73 PolarHBondContact O-N 3.23Å; G73-L75 VanDerWaalsContact C-N 3.3Å; G73-L75 PolarHBondContact O-N 3.49Å; G73-R76 PolarHBondContact O-N 2.96Å; G73-F77 VanDerWaalsContact O-CB 3.31Å; G73-F77 WeakPolarHBondContact O-CB 3.47Å; G73-F77 PolarHBondContact O-N 3.29Å |
| 74 | V | 91.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.3 | -41 | 174.2 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | L62 F66 G70 R71 F77 A78 I165 I168 L169 | L62-V74 HydrophobicContact CD1-CG1 4.42Å; L62-V74 HydrophobicContact CD1-CG2 4.41Å; F66-V74 HydrophobicContact CB-CG2 3.72Å; F66-V74 HydrophobicContact CD2-CG2 3.62Å; F66-V74 HydrophobicContact CG-CG2 4.1Å; G70-V74 PolarHBondContact O-N 3.08Å; R71-V74 WeakPolarHBondContact O-CB 3.27Å; R71-V74 PolarHBondContact O-N 3.16Å; R71-V74 VanDerWaalsContact O-N 3.16Å; V74-F77 PolarHBondContact O-N 2.96Å; V74-A78 VanDerWaalsContact O-CB 3.3Å; V74-A78 WeakPolarHBondContact O-CB 3.14Å; V74-A78 PolarHBondContact O-N 3.04Å; V74-I165 HydrophobicContact CG1-CG2 4.08Å; V74-I165 HydrophobicContact CG2-CG1 4.29Å; V74-I168 HydrophobicContact CB-CG2 4.31Å; V74-I168 HydrophobicContact CG1-CB 4.49Å; V74-I168 HydrophobicContact CG1-CG2 3.9Å; V74-L169 HydrophobicContact CG1-CD2 4.11Å; V74-L169 HydrophobicContact CG1-CG 4.33Å |
| 75 | L | 92.1 | Very high | 89.5 | Confident | 45 Ų | 45 | 62.4 Ų | 62.4 | 24% | 0.236 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.5 | -43.8 | 177.9 | -59.4 | -166.5 | 0 | 0 | 0 | 112.4 | R71 E72 G73 F77 A78 A79 I168 E172 | R71-L75 HydrophobicContact CG-CG 4.47Å; R71-L75 WeakPolarHBondContact O-CG 3.31Å; R71-L75 PolarHBondContact O-N 3.34Å; R71-L75 VanDerWaalsContact O-N 3.08Å; E72-L75 PolarHBondContact O-N 3.36Å; G73-L75 VanDerWaalsContact C-N 3.3Å; G73-L75 PolarHBondContact O-N 3.49Å; L75-F77 VanDerWaalsContact C-N 3.34Å; L75-A78 PolarHBondContact O-N 2.75Å; L75-A79 WeakPolarHBondContact O-CB 3.13Å; L75-A79 PolarHBondContact O-N 3.07Å; L75-I168 HydrophobicContact CD2-CG2 3.62Å; L75-I168 HydrophobicContact CG-CG2 4.49Å; L75-E172 HydrophobicContact CD1-CG 4.34Å; L75-E172 HydrophobicContact CD2-CB 4.47Å; L75-E172 HydrophobicContact CD2-CG 3.46Å; L75-E172 VanDerWaalsContact CD2-CG 3.46Å |
| 76 | R | 90.1 | Very high | 89.8 | Confident | 158 Ų | 158 | 61.2 Ų | 61.2 | 60% | 0.596 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -61 | -45.5 | 175.2 | -176.3 | -178 | -71.4 | 154 | -4.1 | 110.9 | E69 E72 G73 A78 A79 E80 | E69-R76 IonicContact OE1-NH1 3.95Å; E69-R76 IonicContact OE2-NH1 3.29Å; E69-R76 PolarHBondContact OE2-NH1 2.8Å; E72-R76 PolarHBondContact O-N 2.62Å; G73-R76 PolarHBondContact O-N 2.96Å; R76-A78 VanDerWaalsContact C-N 3.31Å; R76-A78 PolarHBondContact O-N 3.31Å; R76-A79 PolarHBondContact O-N 3.01Å; R76-E80 PolarHBondContact O-N 3.36Å |
| 77 | F | 89.9 | Confident | 90 | Very high | 8 Ų | 8 | 61.3 Ų | 61.3 | 4% | 0.035 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 175.6 | -174.1 | -78.5 | 0 | 0 | 0 | 111.4 | W34 L62 V65 G73 V74 L75 E80 K81 V82 | W34-F77 HydrophobicContact CB-CZ 4.1Å; W34-F77 AromaticContact CD1-CZ 3.69Å; W34-F77 AromaticContact CD2-CE1 3.97Å; W34-F77 HydrophobicContact CD2-CE1 3.97Å; W34-F77 AromaticContact CD2-CZ 3.93Å; W34-F77 HydrophobicContact CD2-CZ 3.93Å; W34-F77 HydrophobicContact CE3-CE1 4.24Å; W34-F77 HydrophobicContact CG-CE1 4.12Å; W34-F77 AromaticContact CG-CZ 3.66Å; W34-F77 HydrophobicContact CG-CZ 3.66Å; W34-F77 AromaticContact NE1-CZ 3.96Å; L62-F77 HydrophobicContact CB-CE1 4.27Å; L62-F77 HydrophobicContact CB-CZ 4.19Å; L62-F77 HydrophobicContact CD1-CB 4.33Å; L62-F77 HydrophobicContact CD1-CD1 3.62Å; L62-F77 HydrophobicContact CD1-CE1 3.99Å; L62-F77 HydrophobicContact CD1-CG 3.92Å; V65-F77 HydrophobicContact CG1-CB 4.37Å; V65-F77 HydrophobicContact CG2-CD2 4.29Å; G73-F77 VanDerWaalsContact O-CB 3.31Å; G73-F77 WeakPolarHBondContact O-CB 3.47Å; G73-F77 PolarHBondContact O-N 3.29Å; V74-F77 PolarHBondContact O-N 2.96Å; L75-F77 VanDerWaalsContact C-N 3.34Å; F77-E80 PolarHBondContact O-N 3.31Å; F77-K81 HydrophobicContact CD1-CB 4.31Å; F77-K81 HydrophobicContact CD1-CD 4.41Å; F77-K81 HydrophobicContact CD2-CD 3.94Å; F77-K81 HydrophobicContact CE1-CB 4.06Å; F77-K81 HydrophobicContact CE1-CD 3.99Å; F77-K81 HydrophobicContact CE2-CD 3.49Å; F77-K81 VanDerWaalsContact CE2-CD 3.49Å; F77-K81 HydrophobicContact CG-CD 4.39Å; F77-K81 HydrophobicContact CZ-CB 4.41Å; F77-K81 HydrophobicContact CZ-CD 3.52Å; F77-K81 WeakPolarHBondContact O-CB 3.31Å; F77-K81 PolarHBondContact O-N 3.21Å; F77-V82 HydrophobicContact CD1-CG2 4.47Å |
| 78 | A | 89.3 | Confident | 90.2 | Very high | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.008 | 30% | 0.295 | C | S | . | . | I | π-helix | trans | -63.5 | -46.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V74 L75 R76 E80 V82 V83 L169 Y173 | V74-A78 VanDerWaalsContact O-CB 3.3Å; V74-A78 WeakPolarHBondContact O-CB 3.14Å; V74-A78 PolarHBondContact O-N 3.04Å; L75-A78 PolarHBondContact O-N 2.75Å; R76-A78 VanDerWaalsContact C-N 3.31Å; R76-A78 PolarHBondContact O-N 3.31Å; A78-E80 VanDerWaalsContact C-N 3.34Å; A78-E80 PolarHBondContact O-N 2.96Å; A78-V82 HydrophobicContact CB-CB 4.19Å; A78-V82 HydrophobicContact CB-CG2 4.27Å; A78-V82 CarbonylContact O-C 3.49Å; A78-V82 WeakPolarHBondContact O-CA 3.45Å; A78-V82 VanDerWaalsContact O-CB 3.31Å; A78-V82 WeakPolarHBondContact O-CB 3.48Å; A78-V82 PolarHBondContact O-N 3.43Å; A78-V83 PolarHBondContact O-N 3.04Å; A78-L169 HydrophobicContact CB-CD2 3.72Å; A78-Y173 HydrophobicContact CB-CE2 3.95Å |
| 79 | A | 89.3 | Confident | 90.1 | Very high | 57 Ų | 57 | 57.9 Ų | 57.9 | 47% | 0.471 | 29% | 0.287 | S | S | . | . | I | π-helix | trans | -59.8 | -41.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | L75 R76 | L75-A79 WeakPolarHBondContact O-CB 3.13Å; L75-A79 PolarHBondContact O-N 3.07Å; R76-A79 PolarHBondContact O-N 3.01Å |
| 80 | E | 89 | Confident | 89.9 | Confident | 130 Ų | 130 | 54 Ų | 54 | 61% | 0.607 | 27% | 0.271 | S | S | * | . | I | π-helix | trans | -77 | -43.1 | -178.4 | -169.1 | -166.8 | 158.8 | 0 | 0 | 112.7 | R76 F77 A78 P84 | R76-E80 PolarHBondContact O-N 3.36Å; F77-E80 PolarHBondContact O-N 3.31Å; A78-E80 VanDerWaalsContact C-N 3.34Å; A78-E80 PolarHBondContact O-N 2.96Å; E80-P84 WeakPolarHBondContact O-CG 3.18Å |
| 81 | K | 89.1 | Confident | 89.7 | Confident | 64 Ų | 64 | 58.8 Ų | 58.8 | 28% | 0.278 | 30% | 0.295 | S | S | . | . | I | π-helix | trans | -114.6 | -34.3 | -165.2 | -67.8 | 176.9 | -177.1 | 168.4 | 0 | 114.3 | W34 F77 | W34-K81 HydrophobicContact CH2-CB 4.03Å; W34-K81 VanDerWaalsContact CH2-O 3.27Å; W34-K81 WeakPolarHBondContact CH2-O 3.3Å; W34-K81 HydrophobicContact CZ2-CB 3.65Å; W34-K81 HydrophobicContact CZ2-CG 4.46Å; F77-K81 HydrophobicContact CD1-CB 4.31Å; F77-K81 HydrophobicContact CD1-CD 4.41Å; F77-K81 HydrophobicContact CD2-CD 3.94Å; F77-K81 HydrophobicContact CE1-CB 4.06Å; F77-K81 HydrophobicContact CE1-CD 3.99Å; F77-K81 HydrophobicContact CE2-CD 3.49Å; F77-K81 VanDerWaalsContact CE2-CD 3.49Å; F77-K81 HydrophobicContact CG-CD 4.39Å; F77-K81 HydrophobicContact CZ-CB 4.41Å; F77-K81 HydrophobicContact CZ-CD 3.52Å; F77-K81 WeakPolarHBondContact O-CB 3.31Å; F77-K81 PolarHBondContact O-N 3.21Å |
| 82 | V | 89.5 | Confident | 89.6 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.012 | 30% | 0.303 | C | S | . | . | I | π-helix | trans | -84.7 | -47.8 | -177.6 | 178.7 | 0 | 0 | 0 | 0 | 111.1 | W34 F77 A78 P84 M85 L86 W138 L150 | W34-V82 HydrophobicContact CH2-CG2 4.42Å; W34-V82 HydrophobicContact CZ3-CG2 4.04Å; F77-V82 HydrophobicContact CD1-CG2 4.47Å; A78-V82 HydrophobicContact CB-CB 4.19Å; A78-V82 HydrophobicContact CB-CG2 4.27Å; A78-V82 CarbonylContact O-C 3.49Å; A78-V82 WeakPolarHBondContact O-CA 3.45Å; A78-V82 VanDerWaalsContact O-CB 3.31Å; A78-V82 WeakPolarHBondContact O-CB 3.48Å; A78-V82 PolarHBondContact O-N 3.43Å; V82-P84 VanDerWaalsContact C-CD 3.48Å; V82-P84 VanDerWaalsContact C-N 3.35Å; V82-M85 WeakPolarHBondContact O-CA 3.32Å; V82-M85 WeakPolarHBondContact O-CB 3.47Å; V82-M85 PolarHBondContact O-N 3.4Å; V82-L86 HydrophobicContact CG1-CD1 4.43Å; V82-L86 HydrophobicContact CG1-CD2 4.31Å; V82-L86 HydrophobicContact CG1-CG 4.41Å; V82-L86 PolarHBondContact O-N 3.39Å; V82-W138 HydrophobicContact CG1-CH2 4.13Å; V82-W138 HydrophobicContact CG1-CZ3 3.81Å; V82-L150 HydrophobicContact CG2-CD2 3.82Å |
| 83 | V | 91 | Very high | 89.7 | Confident | 22 Ų | 22 | 55.3 Ų | 55.3 | 13% | 0.133 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -51.3 | -44.1 | -179 | 172.5 | 0 | 0 | 0 | 0 | 113.1 | A78 M85 L86 D89 Y173 | A78-V83 PolarHBondContact O-N 3.04Å; V83-M85 PolarHBondContact O-N 3.14Å; V83-M85 VanDerWaalsContact O-N 3.08Å; V83-L86 WeakPolarHBondContact O-CB 3.39Å; V83-L86 PolarHBondContact O-N 3.22Å; V83-D89 HydrophobicContact CG1-CB 3.73Å; V83-Y173 HydrophobicContact CG2-CE1 4Å; V83-Y173 WeakPolarHBondContact CG2-OH 3.4Å |
| 84 | P | 91.1 | Very high | 89.8 | Confident | 70 Ų | 70 | 59 Ų | 59 | 46% | 0.455 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -60.4 | -22.6 | 176.5 | -25.4 | 35.6 | 0 | 0 | 0 | 114.7 | E80 V82 K139 | E80-P84 WeakPolarHBondContact O-CG 3.18Å; V82-P84 VanDerWaalsContact C-CD 3.48Å; V82-P84 VanDerWaalsContact C-N 3.35Å; P84-K139 PolarHBondContact O-NZ 2.84Å |
| 85 | M | 90.1 | Very high | 89.9 | Confident | 16 Ų | 16 | 62.8 Ų | 62.8 | 8% | 0.079 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -85.7 | -11.3 | 177.4 | -55.8 | -163.8 | 179.8 | 0 | 0 | 113.3 | N30 W34 V82 V83 W138 K139 R142 | N30-M85 HydrophobicContact CB-CE 3.79Å; W34-M85 HydrophobicContact CH2-CE 3.13Å; W34-M85 HydrophobicContact CH2-CG 4.37Å; W34-M85 HydrophobicContact CH2-SD 3.39Å; W34-M85 WeakPolarHBondContact CH2-SD 3.49Å; W34-M85 HydrophobicContact CZ2-CE 3.35Å; W34-M85 HydrophobicContact CZ2-SD 4.23Å; W34-M85 HydrophobicContact CZ3-CE 4.13Å; W34-M85 HydrophobicContact CZ3-SD 3.93Å; V82-M85 WeakPolarHBondContact O-CA 3.32Å; V82-M85 WeakPolarHBondContact O-CB 3.47Å; V82-M85 PolarHBondContact O-N 3.4Å; V83-M85 PolarHBondContact O-N 3.14Å; V83-M85 VanDerWaalsContact O-N 3.08Å; M85-W138 HydrophobicContact CB-CH2 4.44Å; M85-W138 HydrophobicContact CB-CZ2 3.88Å; M85-W138 HydrophobicContact CG-CZ2 4.33Å; M85-W138 HydrophobicContact SD-CH2 4.3Å; M85-W138 HydrophobicContact SD-CZ2 3.55Å; M85-W138 VanDerWaalsContact SD-CZ2 3.55Å; M85-K139 WeakPolarHBondContact O-CB 3.09Å; M85-K139 VanDerWaalsContact O-CG 3.24Å; M85-K139 WeakPolarHBondContact O-CG 3.43Å; M85-K139 PolarHBondContact O-N 3.19Å; M85-R142 HydrophobicContact CB-CB 4.33Å |
| 86 | L | 92.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -88.5 | 152.7 | 178.5 | -51.6 | -175.4 | 0 | 0 | 0 | 111 | V82 V83 Q137 W138 K139 Y173 L176 | V82-L86 HydrophobicContact CG1-CD1 4.43Å; V82-L86 HydrophobicContact CG1-CD2 4.31Å; V82-L86 HydrophobicContact CG1-CG 4.41Å; V82-L86 PolarHBondContact O-N 3.39Å; V83-L86 WeakPolarHBondContact O-CB 3.39Å; V83-L86 PolarHBondContact O-N 3.22Å; L86-Q137 CarbonylContact C-O 3.59Å; L86-Q137 WeakPolarHBondContact CA-O 3.46Å; L86-Q137 HydrophobicContact CB-CG 4.36Å; L86-Q137 HydrophobicContact CD1-CG 4.43Å; L86-Q137 HydrophobicContact CD2-CG 4.32Å; L86-W138 HydrophobicContact CD2-CD2 4.19Å; L86-W138 HydrophobicContact CD2-CE3 3.63Å; L86-W138 HydrophobicContact CD2-CZ3 4.15Å; L86-K139 WeakPolarHBondContact O-CE 3.47Å; L86-K139 PolarHBondContact O-NZ 3.04Å; L86-Y173 HydrophobicContact CD1-CD1 4.29Å; L86-Y173 HydrophobicContact CD1-CG 4.48Å; L86-L176 HydrophobicContact CD1-CD2 4.47Å; L86-L176 HydrophobicContact CD2-CD2 3.65Å |
| 87 | Y | 92.2 | Very high | 90.1 | Very high | 44 Ų | 44 | 59.8 Ų | 59.8 | 17% | 0.173 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -69.3 | 141.5 | 166 | -70.9 | -71 | 0 | 0 | 0 | 109.7 | D89 G90 E94 Q137 K139 L140 | Y87-D89 PolarHBondContact O-N 3.37Å; Y87-G90 PolarHBondContact O-N 2.92Å; Y87-E94 HydrophobicContact CD1-CB 4.14Å; Y87-E94 HydrophobicContact CD1-CG 3.98Å; Y87-E94 WeakPolarHBondContact CD1-OE2 3.33Å; Y87-E94 HydrophobicContact CD2-CB 4.01Å; Y87-E94 HydrophobicContact CE1-CB 4.48Å; Y87-E94 WeakPolarHBondContact CE1-OE2 3.38Å; Y87-E94 HydrophobicContact CE2-CB 4.35Å; Y87-E94 HydrophobicContact CG-CB 3.9Å; Y87-E94 HydrophobicContact CG-CG 3.93Å; Y87-Q137 WeakPolarHBondContact CD2-O 3.46Å; Y87-Q137 PolarHBondContact N-O 3.11Å; Y87-Q137 PolarHBondContact O-OE1 3.18Å; Y87-K139 HydrophobicContact CD1-CG 3.82Å; Y87-K139 HydrophobicContact CD2-CG 4.24Å; Y87-K139 HydrophobicContact CE1-CB 4.46Å; Y87-K139 HydrophobicContact CE1-CG 3.77Å; Y87-K139 VanDerWaalsContact CE2-CA 3.42Å; Y87-K139 HydrophobicContact CE2-CB 4.37Å; Y87-K139 HydrophobicContact CE2-CG 4.2Å; Y87-K139 HydrophobicContact CG-CG 4.05Å; Y87-L140 PolarHBondContact OH-N 3.05Å |
| 88 | N | 90.4 | Very high | 90.1 | Very high | 83 Ų | 83 | 63.5 Ų | 63.5 | 44% | 0.444 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | 46.2 | 40.6 | 176.4 | -55.2 | -55.3 | 0 | 0 | 0 | 113.8 | G90 V91 R92 E94 | N88-G90 PolarHBondContact O-N 2.88Å; N88-V91 PolarHBondContact O-N 3.28Å; N88-R92 PolarHBondContact ND2-O 2.85Å; N88-E94 PolarHBondContact ND2-OE1 3.21Å |
| 89 | D | 85.9 | Confident | 90.1 | Very high | 106 Ų | 106 | 66.1 Ų | 66.1 | 57% | 0.567 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | 51.8 | 28.8 | -178.8 | -57.2 | -37.7 | 0 | 0 | 0 | 114.8 | V83 Y87 | V83-D89 HydrophobicContact CG1-CB 3.73Å; Y87-D89 PolarHBondContact O-N 3.37Å |
| 90 | G | 83.4 | Confident | 90.3 | Very high | 9 Ų | 9 | 65.4 Ų | 65.4 | 9% | 0.093 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | 88.2 | 1.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y87 N88 Q137 T175 | Y87-G90 PolarHBondContact O-N 2.92Å; N88-G90 PolarHBondContact O-N 2.88Å; G90-Q137 VanDerWaalsContact CA-NE2 3.31Å; G90-Q137 PolarHBondContact O-NE2 3.23Å; G90-T175 PolarHBondContact O-OG1 3.27Å |
| 91 | V | 85.8 | Confident | 90.3 | Very high | 125 Ų | 125 | 59.4 Ų | 59.4 | 76% | 0.758 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -80.8 | -44.1 | -176.6 | -177.9 | 0 | 0 | 0 | 0 | 112.3 | N88 | N88-V91 PolarHBondContact O-N 3.28Š|
| 92 | R | 89.1 | Confident | 90.3 | Very high | 185 Ų | 185 | 58.3 Ų | 58.3 | 70% | 0.698 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -138.2 | 128.4 | -176 | -172.1 | -179 | 177.4 | 178.3 | 0.6 | 111.5 | N88 Q137 | N88-R92 PolarHBondContact ND2-O 2.85Å; R92-Q137 PolarHBondContact O-OE1 3.2Å |
| 93 | P | 92.4 | Very high | 90.3 | Very high | 35 Ų | 35 | 64.3 Ų | 64.3 | 23% | 0.227 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 149.1 | 176.3 | 30.1 | -35.3 | 0 | 0 | 0 | 111.2 | P135 L178 | P93-P135 HydrophobicContact CB-CB 4.13Å; P93-P135 HydrophobicContact CG-CB 4.32Å; P93-L178 HydrophobicContact CG-CD1 4.2Å |
| 94 | E | 92.6 | Very high | 90.2 | Very high | 80 Ų | 80 | 64.1 Ų | 64.1 | 37% | 0.374 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 146.8 | 172 | -77.2 | -174.8 | -165.2 | 0 | 0 | 110.7 | Y87 N88 V96 P135 A136 | Y87-E94 HydrophobicContact CD1-CB 4.14Å; Y87-E94 HydrophobicContact CD1-CG 3.98Å; Y87-E94 WeakPolarHBondContact CD1-OE2 3.33Å; Y87-E94 HydrophobicContact CD2-CB 4.01Å; Y87-E94 HydrophobicContact CE1-CB 4.48Å; Y87-E94 WeakPolarHBondContact CE1-OE2 3.38Å; Y87-E94 HydrophobicContact CE2-CB 4.35Å; Y87-E94 HydrophobicContact CG-CB 3.9Å; Y87-E94 HydrophobicContact CG-CG 3.93Å; N88-E94 PolarHBondContact ND2-OE1 3.21Å; E94-V96 PolarHBondContact O-N 3.46Å; E94-P135 WeakPolarHBondContact O-CA 3.37Å; E94-A136 PolarHBondContact N-O 3.13Å; E94-A136 PolarHBondContact O-N 3.2Å; E94-A136 VanDerWaalsContact O-O 3.09Å |
| 95 | T | 93.3 | Very high | 90 | Very high | 79 Ų | 79 | 61.8 Ų | 61.8 | 49% | 0.485 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 122.1 | 175.8 | -55.2 | 0 | 0 | 0 | 0 | 109.9 | R97 E133 H134 | T95-R97 PolarHBondContact O-N 3.3Å; T95-R97 VanDerWaalsContact O-N 3.08Å; T95-E133 HydrophobicContact CG2-CB 3.83Å; T95-H134 WeakPolarHBondContact CA-O 3.34Å |
| 96 | V | 92.7 | Very high | 89.8 | Confident | 6 Ų | 6 | 65 Ų | 65 | 4% | 0.036 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 102.1 | 170.7 | -177.1 | 0 | 0 | 0 | 0 | 108.3 | E94 F131 E133 H134 A136 L140 | E94-V96 PolarHBondContact O-N 3.46Å; V96-F131 HydrophobicContact CG1-CZ 4.31Å; V96-E133 WeakPolarHBondContact O-CA 3.36Å; V96-H134 PolarHBondContact N-O 3.47Å; V96-A136 HydrophobicContact CG2-CB 3.48Å; V96-A136 VanDerWaalsContact CG2-CB 3.48Å; V96-L140 HydrophobicContact CG1-CD2 4.15Å |
| 97 | R | 93.5 | Very high | 89.4 | Confident | 134 Ų | 134 | 70 Ų | 70 | 51% | 0.506 | 34% | 0.339 | S | S | . | . | trans | -76.1 | 153.2 | 177.3 | -65 | 179 | -63.2 | -164.1 | -3.4 | 111.1 | T95 S99 D100 Y101 E133 | T95-R97 PolarHBondContact O-N 3.3Å; T95-R97 VanDerWaalsContact O-N 3.08Å; R97-S99 PolarHBondContact O-N 3.42Å; R97-D100 IonicContact CZ-OD2 2.92Å; R97-D100 IonicContact NE-OD2 3.27Å; R97-D100 PolarHBondContact NE-OD2 2.99Å; R97-D100 IonicContact NH2-OD1 2.67Å; R97-D100 IonicContact NH2-OD2 2.71Å; R97-D100 PolarHBondContact NH2-OD2 3.43Å; R97-D100 PolarHBondContact O-N 3.29Å; R97-Y101 PolarHBondContact O-N 3.38Å; R97-E133 WeakPolarHBondContact CA-OE1 3.38Å | ||
| 98 | E | 89.8 | Confident | 89 | Confident | 85 Ų | 85 | 68.7 Ų | 68.7 | 40% | 0.397 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -51.6 | -43.9 | 177.4 | -165.4 | -173.2 | 162.4 | 0 | 0 | 112.1 | D100 Y101 I102 M126 F131 E133 | E98-D100 VanDerWaalsContact C-N 3.31Å; E98-D100 PolarHBondContact O-N 3.01Å; E98-Y101 PolarHBondContact O-N 2.9Å; E98-I102 HydrophobicContact CG-CD1 4.06Å; E98-I102 VanDerWaalsContact O-CG1 3.31Å; E98-I102 WeakPolarHBondContact O-CG1 3.3Å; E98-I102 PolarHBondContact O-N 3.28Å; E98-M126 HydrophobicContact CB-CE 4.44Å; E98-M126 HydrophobicContact CG-CE 3.42Å; E98-M126 VanDerWaalsContact CG-CE 3.42Å; E98-F131 HydrophobicContact CB-CE1 4.23Å; E98-F131 HydrophobicContact CG-CD1 4.44Å; E98-F131 HydrophobicContact CG-CE1 4.46Å; E98-E133 PolarHBondContact N-OE1 3.25Å |
| 99 | S | 90.3 | Very high | 88.5 | Confident | 57 Ų | 57 | 66.1 Ų | 66.1 | 40% | 0.399 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.6 | -32.3 | 179.9 | 70.8 | 0 | 0 | 0 | 0 | 113.9 | R97 K103 | R97-S99 PolarHBondContact O-N 3.42Å; S99-K103 VanDerWaalsContact O-CG 3.24Å; S99-K103 WeakPolarHBondContact O-CG 3.27Å; S99-K103 PolarHBondContact O-N 3.29Å |
| 100 | D | 91.7 | Very high | 88.2 | Confident | 42 Ų | 42 | 65.2 Ų | 65.2 | 23% | 0.225 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -80.7 | -36.6 | -178.3 | -64.5 | -38.1 | 0 | 0 | 0 | 110.1 | R97 E98 K103 W104 L140 | R97-D100 IonicContact CZ-OD2 2.92Å; R97-D100 IonicContact NE-OD2 3.27Å; R97-D100 PolarHBondContact NE-OD2 2.99Å; R97-D100 IonicContact NH2-OD1 2.67Å; R97-D100 IonicContact NH2-OD2 2.71Å; R97-D100 PolarHBondContact NH2-OD2 3.43Å; R97-D100 PolarHBondContact O-N 3.29Å; E98-D100 VanDerWaalsContact C-N 3.31Å; E98-D100 PolarHBondContact O-N 3.01Å; D100-K103 PolarHBondContact O-N 2.96Å; D100-K103 IonicContact OD1-NZ 2.62Å; D100-K103 PolarHBondContact OD1-NZ 3.35Å; D100-W104 WeakPolarHBondContact O-CB 3.31Å; D100-W104 PolarHBondContact O-N 2.5Å; D100-L140 WeakPolarHBondContact O-CD2 3.48Å |
| 101 | Y | 90.5 | Very high | 88 | Confident | 3 Ų | 3 | 67.2 Ų | 67.2 | 1% | 0.012 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.3 | -47 | 170.1 | -177.1 | -92.2 | 0 | 0 | 0 | 112.6 | R97 E98 K103 W104 R105 M126 I129 F131 E182 F187 | R97-Y101 PolarHBondContact O-N 3.38Å; E98-Y101 PolarHBondContact O-N 2.9Å; Y101-K103 VanDerWaalsContact C-N 3.34Å; Y101-K103 PolarHBondContact O-N 2.85Å; Y101-W104 HydrophobicContact CD2-CE3 4.41Å; Y101-W104 HydrophobicContact CE2-CE3 4.25Å; Y101-W104 HydrophobicContact CE2-CZ3 4.16Å; Y101-W104 PolarHBondContact O-N 2.93Å; Y101-R105 PolarHBondContact O-N 3.02Å; Y101-M126 HydrophobicContact CD1-CE 3.56Å; Y101-M126 HydrophobicContact CD1-SD 3.29Å; Y101-M126 WeakPolarHBondContact CD1-SD 3.35Å; Y101-M126 HydrophobicContact CE1-CE 4.15Å; Y101-M126 HydrophobicContact CE1-SD 3.26Å; Y101-M126 WeakPolarHBondContact CE1-SD 3.26Å; Y101-M126 HydrophobicContact CG-CE 4.34Å; Y101-M126 HydrophobicContact CG-SD 4.46Å; Y101-I129 HydrophobicContact CE1-CD1 4.41Å; Y101-F131 HydrophobicContact CD1-CD2 4.09Å; Y101-F131 HydrophobicContact CD1-CE2 4.03Å; Y101-F131 HydrophobicContact CD2-CD2 4.11Å; Y101-F131 AromaticContact CD2-CE2 3.5Å; Y101-F131 HydrophobicContact CD2-CE2 3.5Å; Y101-F131 VanDerWaalsContact CD2-CE2 3.5Å; Y101-F131 HydrophobicContact CD2-CZ 4.29Å; Y101-F131 HydrophobicContact CE1-CD2 4.23Å; Y101-F131 HydrophobicContact CE1-CE2 4.5Å; Y101-F131 HydrophobicContact CE2-CD2 4.24Å; Y101-F131 HydrophobicContact CE2-CE2 4.02Å; Y101-F131 HydrophobicContact CG-CD2 4.02Å; Y101-F131 AromaticContact CG-CE2 3.5Å; Y101-F131 HydrophobicContact CG-CE2 3.5Å; Y101-F131 VanDerWaalsContact CG-CE2 3.5Å; Y101-F131 AromaticContact CG-CZ 3.99Å; Y101-F131 HydrophobicContact CG-CZ 3.99Å; Y101-E182 HydrophobicContact CE2-CB 4.02Å; Y101-E182 VanDerWaalsContact CE2-O 3.23Å; Y101-E182 WeakPolarHBondContact CE2-O 3.24Å; Y101-E182 WeakPolarHBondContact CE2-OE2 3.22Å; Y101-E182 PolarHBondContact OH-O 3.44Å; Y101-F187 HydrophobicContact CE2-CE2 4.24Å |
| 102 | I | 88 | Confident | 87.5 | Confident | 41 Ų | 41 | 62.2 Ų | 62.2 | 21% | 0.21 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 177.9 | -68 | 166.5 | 0 | 0 | 0 | 110.9 | E98 W104 R105 K106 M126 | E98-I102 HydrophobicContact CG-CD1 4.06Å; E98-I102 VanDerWaalsContact O-CG1 3.31Å; E98-I102 WeakPolarHBondContact O-CG1 3.3Å; E98-I102 PolarHBondContact O-N 3.28Å; I102-W104 PolarHBondContact O-N 2.88Å; I102-R105 PolarHBondContact O-N 3.21Å; I102-K106 HydrophobicContact CG2-CD 4.26Å; I102-K106 WeakPolarHBondContact O-CG 3.44Å; I102-K106 PolarHBondContact O-N 2.85Å; I102-M126 HydrophobicContact CG1-CE 4.28Å |
| 103 | K | 89.5 | Confident | 86.5 | Confident | 128 Ų | 128 | 57 Ų | 57 | 56% | 0.557 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -60.4 | -45.2 | 175.7 | -73.2 | 169.1 | -162 | 158.8 | 0 | 111.7 | S99 D100 Y101 K106 F107 | S99-K103 VanDerWaalsContact O-CG 3.24Å; S99-K103 WeakPolarHBondContact O-CG 3.27Å; S99-K103 PolarHBondContact O-N 3.29Å; D100-K103 PolarHBondContact O-N 2.96Å; D100-K103 IonicContact OD1-NZ 2.62Å; D100-K103 PolarHBondContact OD1-NZ 3.35Å; Y101-K103 VanDerWaalsContact C-N 3.34Å; Y101-K103 PolarHBondContact O-N 2.85Å; K103-K106 PolarHBondContact O-N 3.28Å; K103-F107 WeakPolarHBondContact O-CB 3.37Å; K103-F107 PolarHBondContact O-N 2.94Å |
| 104 | W | 89.5 | Confident | 85.2 | Confident | 18 Ų | 18 | 58 Ų | 58 | 7% | 0.068 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62 | -43.7 | 177.5 | 174.3 | 81.6 | 0 | 0 | 0 | 112.1 | D100 Y101 I102 K106 F107 M108 L140 E182 | D100-W104 WeakPolarHBondContact O-CB 3.31Å; D100-W104 PolarHBondContact O-N 2.5Å; Y101-W104 HydrophobicContact CD2-CE3 4.41Å; Y101-W104 HydrophobicContact CE2-CE3 4.25Å; Y101-W104 HydrophobicContact CE2-CZ3 4.16Å; Y101-W104 PolarHBondContact O-N 2.93Å; I102-W104 PolarHBondContact O-N 2.88Å; W104-K106 PolarHBondContact O-N 2.75Å; W104-F107 WeakPolarHBondContact O-CB 3.32Å; W104-F107 PolarHBondContact O-N 3.15Å; W104-M108 HydrophobicContact CD2-CG 4.18Å; W104-M108 HydrophobicContact CH2-CG 4.4Å; W104-M108 HydrophobicContact CZ2-CE 3.61Å; W104-M108 HydrophobicContact CZ2-CG 3.86Å; W104-M108 PolarHBondContact O-N 3.01Å; W104-L140 HydrophobicContact CB-CD1 4.35Å; W104-L140 HydrophobicContact CB-CD2 3.47Å; W104-L140 VanDerWaalsContact CB-CD2 3.47Å; W104-L140 HydrophobicContact CB-CG 3.67Å; W104-L140 VanDerWaalsContact CD1-O 3.24Å; W104-L140 HydrophobicContact CD2-CD1 3.88Å; W104-L140 HydrophobicContact CD2-CG 4.09Å; W104-L140 HydrophobicContact CE3-CD1 4.34Å; W104-L140 HydrophobicContact CG-CD1 3.88Å; W104-L140 HydrophobicContact CG-CD2 3.9Å; W104-L140 HydrophobicContact CG-CG 3.52Å; W104-L140 PolarHBondContact NE1-O 3.33Å; W104-E182 HydrophobicContact CH2-CB 3.79Å; W104-E182 HydrophobicContact CZ2-CB 4.48Å; W104-E182 HydrophobicContact CZ3-CB 3.81Å |
| 105 | R | 86.4 | Confident | 83.5 | Confident | 21 Ų | 21 | 59.4 Ų | 59.4 | 8% | 0.079 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 177.1 | -169.7 | 173 | 67.3 | -142.3 | -11 | 112 | Y101 I102 F107 M108 R109 D122 | Y101-R105 PolarHBondContact O-N 3.02Å; I102-R105 PolarHBondContact O-N 3.21Å; R105-F107 VanDerWaalsContact C-N 3.3Å; R105-F107 PolarHBondContact O-N 2.94Å; R105-M108 PolarHBondContact O-N 3.05Å; R105-R109 WeakPolarHBondContact O-CB 3.45Å; R105-R109 PolarHBondContact O-N 3.05Å; R105-D122 IonicContact CZ-OD1 3Å; R105-D122 VanDerWaalsContact CZ-OD1 3.24Å; R105-D122 IonicContact NE-OD1 3.8Å; R105-D122 PolarHBondContact NE-OD1 3.36Å; R105-D122 PolarHBondContact NH2-O 3.38Å; R105-D122 IonicContact NH2-OD1 2.7Å; R105-D122 PolarHBondContact NH2-OD1 2.97Å |
| 106 | K | 85.5 | Confident | 81.6 | Confident | 84 Ų | 84 | 59.7 Ų | 59.7 | 37% | 0.365 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.6 | -41.5 | 174.1 | -74.5 | -176.4 | 175.1 | -157.6 | 0 | 111.8 | I102 K103 W104 T110 D119 D122 | I102-K106 HydrophobicContact CG2-CD 4.26Å; I102-K106 WeakPolarHBondContact O-CG 3.44Å; I102-K106 PolarHBondContact O-N 2.85Å; K103-K106 PolarHBondContact O-N 3.28Å; W104-K106 PolarHBondContact O-N 2.75Å; K106-T110 WeakPolarHBondContact O-CB 3.49Å; K106-T110 PolarHBondContact O-N 3.49Å; K106-T110 VanDerWaalsContact O-N 3.07Å; K106-T110 PolarHBondContact O-OG1 2.83Å; K106-D119 VanDerWaalsContact CE-OD1 3.27Å; K106-D119 WeakPolarHBondContact CE-OD1 3.24Å; K106-D119 IonicContact NZ-OD1 2.82Å; K106-D119 PolarHBondContact NZ-OD1 3.21Å; K106-D122 WeakPolarHBondContact CE-OD2 3.39Å |
| 107 | F | 85.2 | Confident | 79.7 | Confident | 104 Ų | 104 | 66.8 Ų | 66.8 | 46% | 0.456 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 174.3 | 174.4 | -100.1 | 0 | 0 | 0 | 111.9 | K103 W104 R105 T110 N111 | K103-F107 WeakPolarHBondContact O-CB 3.37Å; K103-F107 PolarHBondContact O-N 2.94Å; W104-F107 WeakPolarHBondContact O-CB 3.32Å; W104-F107 PolarHBondContact O-N 3.15Å; R105-F107 VanDerWaalsContact C-N 3.3Å; R105-F107 PolarHBondContact O-N 2.94Å; F107-T110 WeakPolarHBondContact O-CB 3.23Å; F107-T110 PolarHBondContact O-N 2.98Å; F107-N111 WeakPolarHBondContact CE1-ND2 3.34Å; F107-N111 WeakPolarHBondContact CZ-ND2 3.27Å; F107-N111 PolarHBondContact O-N 3.12Å |
| 108 | M | 83.8 | Confident | 77.9 | Confident | 18 Ų | 18 | 67.1 Ų | 67.1 | 9% | 0.089 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 177.8 | -72.4 | -58.1 | -156.2 | 0 | 0 | 112.5 | W104 R105 T110 N111 L112 G144 | W104-M108 HydrophobicContact CD2-CG 4.18Å; W104-M108 HydrophobicContact CH2-CG 4.4Å; W104-M108 HydrophobicContact CZ2-CE 3.61Å; W104-M108 HydrophobicContact CZ2-CG 3.86Å; W104-M108 PolarHBondContact O-N 3.01Å; R105-M108 PolarHBondContact O-N 3.05Å; M108-T110 VanDerWaalsContact C-N 3.3Å; M108-T110 PolarHBondContact O-N 3.34Å; M108-N111 PolarHBondContact O-N 3.28Å; M108-L112 WeakPolarHBondContact O-CB 3.22Å; M108-L112 WeakPolarHBondContact O-CG 3.32Å; M108-L112 PolarHBondContact O-N 2.84Å; M108-G144 VanDerWaalsContact CE-O 3.31Å; M108-G144 WeakPolarHBondContact CE-O 3.34Å |
| 109 | R | 79.1 | Confident | 76.4 | Confident | 29 Ų | 29 | 67.8 Ų | 67.8 | 11% | 0.109 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.5 | -43.3 | 176.1 | -169.9 | -177.2 | -72.1 | 153.1 | 7.5 | 111.9 | R105 L112 S113 E114 D122 | R105-R109 WeakPolarHBondContact O-CB 3.45Å; R105-R109 PolarHBondContact O-N 3.05Å; R109-L112 PolarHBondContact O-N 2.68Å; R109-S113 PolarHBondContact O-N 3.18Å; R109-S113 VanDerWaalsContact O-N 3.11Å; R109-E114 HydrophobicContact CG-CB 3.57Å; R109-E114 PolarHBondContact O-N 3.18Å; R109-E114 VanDerWaalsContact O-N 3.14Å; R109-D122 IonicContact CZ-OD1 2.83Å; R109-D122 IonicContact NH1-OD1 3.81Å; R109-D122 PolarHBondContact NH1-OD1 3.1Å; R109-D122 IonicContact NH1-OD2 3.96Å; R109-D122 IonicContact NH2-OD1 2.84Å; R109-D122 PolarHBondContact NH2-OD1 2.93Å |
| 110 | T | 80.7 | Confident | 75 | Confident | 86 Ų | 86 | 72.2 Ų | 72.2 | 53% | 0.528 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.8 | -46.1 | 177.1 | -55 | 0 | 0 | 0 | 0 | 110.9 | K106 F107 M108 L112 S113 | K106-T110 WeakPolarHBondContact O-CB 3.49Å; K106-T110 PolarHBondContact O-N 3.49Å; K106-T110 VanDerWaalsContact O-N 3.07Å; K106-T110 PolarHBondContact O-OG1 2.83Å; F107-T110 WeakPolarHBondContact O-CB 3.23Å; F107-T110 PolarHBondContact O-N 2.98Å; M108-T110 VanDerWaalsContact C-N 3.3Å; M108-T110 PolarHBondContact O-N 3.34Å; T110-L112 VanDerWaalsContact C-N 3.31Å; T110-L112 PolarHBondContact O-N 3.47Å; T110-S113 PolarHBondContact O-N 2.97Å |
| 111 | N | 79.5 | Confident | 74 | Confident | 52 Ų | 52 | 74.3 Ų | 74.3 | 28% | 0.278 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.1 | -32.3 | 178.7 | -68.9 | -17.2 | 0 | 0 | 0 | 113 | F107 M108 S113 | F107-N111 WeakPolarHBondContact CE1-ND2 3.34Å; F107-N111 WeakPolarHBondContact CZ-ND2 3.27Å; F107-N111 PolarHBondContact O-N 3.12Å; M108-N111 PolarHBondContact O-N 3.28Å; N111-S113 VanDerWaalsContact C-N 3.32Å |
| 112 | L | 74.5 | Confident | 73.1 | Confident | 19 Ų | 19 | 74.5 Ų | 74.5 | 10% | 0.099 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -84.5 | -3.6 | 177.8 | -65.1 | 179.5 | 0 | 0 | 0 | 113.9 | N21 V22 M108 R109 T110 E114 V145 | N21-L112 HydrophobicContact CB-CD2 4.3Å; N21-L112 PolarHBondContact ND2-O 3.22Å; N21-L112 VanDerWaalsContact ND2-O 3.12Å; V22-L112 HydrophobicContact CB-CD2 4.23Å; V22-L112 HydrophobicContact CG2-CD1 4.46Å; V22-L112 HydrophobicContact CG2-CD2 3.51Å; M108-L112 WeakPolarHBondContact O-CB 3.22Å; M108-L112 WeakPolarHBondContact O-CG 3.32Å; M108-L112 PolarHBondContact O-N 2.84Å; R109-L112 PolarHBondContact O-N 2.68Å; T110-L112 VanDerWaalsContact C-N 3.31Å; T110-L112 PolarHBondContact O-N 3.47Å; L112-E114 VanDerWaalsContact C-N 3.27Å; L112-E114 HydrophobicContact CB-CG 4.43Å; L112-E114 PolarHBondContact O-N 2.94Å; L112-V145 HydrophobicContact CD2-CG1 4.46Å |
| 113 | S | 69.1 | Low | 72.6 | Confident | 77 Ų | 77 | 76.9 Ų | 76.9 | 54% | 0.538 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 39.4 | -175.1 | 81.6 | 0 | 0 | 0 | 0 | 114 | N21 R109 T110 N111 | N21-S113 WeakPolarHBondContact ND2-CB 3.44Å; N21-S113 PolarHBondContact ND2-OG 3.41Å; R109-S113 PolarHBondContact O-N 3.18Å; R109-S113 VanDerWaalsContact O-N 3.11Å; T110-S113 PolarHBondContact O-N 2.97Å; N111-S113 VanDerWaalsContact C-N 3.32Å |
| 114 | E | 64.1 | Low | 72 | Confident | 55 Ų | 55 | 76.8 Ų | 76.8 | 26% | 0.257 | 39% | 0.387 | S | S | . | . | trans | -79.8 | 145 | 168.6 | -73.7 | -178.1 | 171.6 | 0 | 0 | 109.6 | K18 R109 L112 V116 | K18-E114 VanDerWaalsContact CE-OE1 3.25Å; K18-E114 WeakPolarHBondContact CE-OE1 3.35Å; K18-E114 IonicContact NZ-OE1 3.9Å; K18-E114 PolarHBondContact NZ-OE1 3.35Å; R109-E114 HydrophobicContact CG-CB 3.57Å; R109-E114 PolarHBondContact O-N 3.18Å; R109-E114 VanDerWaalsContact O-N 3.14Å; L112-E114 VanDerWaalsContact C-N 3.27Å; L112-E114 HydrophobicContact CB-CG 4.43Å; L112-E114 PolarHBondContact O-N 2.94Å; E114-V116 PolarHBondContact O-N 3.49Å | ||
| 115 | N | 57.5 | Low | 71.4 | Confident | 109 Ų | 109 | 77.1 Ų | 77.1 | 58% | 0.583 | 39% | 0.39 | S | S | * | . | trans | -49.3 | 115 | -175.8 | -77.2 | -25.3 | 0 | 0 | 0 | 111.9 | ||||
| 116 | V | 53.1 | Low | 71.1 | Confident | 85 Ų | 85 | 76.6 Ų | 76.6 | 52% | 0.515 | 39% | 0.389 | S | S | . | . | trans | -75.8 | -25.2 | -172.9 | -178.5 | 0 | 0 | 0 | 0 | 112.3 | E114 R118 | E114-V116 PolarHBondContact O-N 3.49Å; V116-R118 PolarHBondContact O-N 3.49Å | ||
| 117 | D | 52.9 | Low | 70.9 | Confident | 156 Ų | 156 | 79.5 Ų | 79.5 | 83% | 0.834 | 40% | 0.402 | S | S | * | . | trans | -74.9 | 28.6 | -167.3 | -58.8 | -32.7 | 0 | 0 | 0 | 116.2 | ||||
| 118 | R | 55.4 | Low | 70.5 | Confident | 140 Ų | 140 | 77 Ų | 77 | 53% | 0.528 | 40% | 0.395 | S | S | . | . | trans | -137.9 | 71.6 | 177 | -62 | -168.3 | -157.3 | -158.6 | 8.5 | 112.2 | V116 D120 K121 | V116-R118 PolarHBondContact O-N 3.49Å; R118-D120 PolarHBondContact O-N 3.44Å; R118-K121 HydrophobicContact CB-CB 4.47Å; R118-K121 HydrophobicContact CB-CD 4.07Å; R118-K121 HydrophobicContact CB-CG 4.07Å; R118-K121 PolarHBondContact O-N 3.42Å | ||
| 119 | D | 58.8 | Low | 70.3 | Confident | 99 Ų | 99 | 76.3 Ų | 76.3 | 53% | 0.529 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -33.8 | 169.2 | -78.3 | -45.1 | 0 | 0 | 0 | 112 | K106 K121 D122 | K106-D119 VanDerWaalsContact CE-OD1 3.27Å; K106-D119 WeakPolarHBondContact CE-OD1 3.24Å; K106-D119 IonicContact NZ-OD1 2.82Å; K106-D119 PolarHBondContact NZ-OD1 3.21Å; D119-K121 PolarHBondContact O-N 2.98Å; D119-K121 VanDerWaalsContact O-N 3.09Å; D119-D122 WeakPolarHBondContact O-CB 3.36Å; D119-D122 PolarHBondContact O-N 2.99Å |
| 120 | D | 59.7 | Low | 70.5 | Confident | 150 Ų | 150 | 77.5 Ų | 77.5 | 80% | 0.802 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -59.8 | -25.8 | -179.1 | -67.7 | -24.8 | 0 | 0 | 0 | 113.8 | R118 D122 | R118-D120 PolarHBondContact O-N 3.44Å; D120-D122 VanDerWaalsContact C-N 3.29Å; D120-D122 PolarHBondContact O-N 3.23Å |
| 121 | K | 70.8 | Confident | 70.9 | Confident | 87 Ų | 87 | 74.9 Ų | 74.9 | 38% | 0.378 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -73.9 | -21.8 | 178.8 | -73.5 | -171.4 | 171 | -174.5 | 0 | 113.2 | R118 D119 L123 E124 I125 | R118-K121 HydrophobicContact CB-CB 4.47Å; R118-K121 HydrophobicContact CB-CD 4.07Å; R118-K121 HydrophobicContact CB-CG 4.07Å; R118-K121 PolarHBondContact O-N 3.42Å; D119-K121 PolarHBondContact O-N 2.98Å; D119-K121 VanDerWaalsContact O-N 3.09Å; K121-L123 PolarHBondContact O-N 2.97Å; K121-E124 PolarHBondContact O-N 2.87Å; K121-I125 HydrophobicContact CB-CD1 4.41Å; K121-I125 WeakPolarHBondContact O-CD1 3.1Å; K121-I125 VanDerWaalsContact O-CG1 3.24Å; K121-I125 WeakPolarHBondContact O-CG1 3.17Å; K121-I125 PolarHBondContact O-N 3.25Å |
| 122 | D | 73.1 | Confident | 71.4 | Confident | 7 Ų | 7 | 76.1 Ų | 76.1 | 4% | 0.037 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.8 | -43.9 | -173.1 | -85.4 | -26.2 | 0 | 0 | 0 | 111.9 | R105 K106 R109 D119 D120 M126 | R105-D122 IonicContact CZ-OD1 3Å; R105-D122 VanDerWaalsContact CZ-OD1 3.24Å; R105-D122 IonicContact NE-OD1 3.8Å; R105-D122 PolarHBondContact NE-OD1 3.36Å; R105-D122 PolarHBondContact NH2-O 3.38Å; R105-D122 IonicContact NH2-OD1 2.7Å; R105-D122 PolarHBondContact NH2-OD1 2.97Å; K106-D122 WeakPolarHBondContact CE-OD2 3.39Å; R109-D122 IonicContact CZ-OD1 2.83Å; R109-D122 IonicContact NH1-OD1 3.81Å; R109-D122 PolarHBondContact NH1-OD1 3.1Å; R109-D122 IonicContact NH1-OD2 3.96Å; R109-D122 IonicContact NH2-OD1 2.84Å; R109-D122 PolarHBondContact NH2-OD1 2.93Å; D119-D122 WeakPolarHBondContact O-CB 3.36Å; D119-D122 PolarHBondContact O-N 2.99Å; D120-D122 VanDerWaalsContact C-N 3.29Å; D120-D122 PolarHBondContact O-N 3.23Å; D122-M126 WeakPolarHBondContact O-CG 3.43Å; D122-M126 PolarHBondContact O-N 3.31Å; D122-M126 VanDerWaalsContact O-N 3.11Å |
| 123 | L | 77.6 | Confident | 72.2 | Confident | 90 Ų | 90 | 80.7 Ų | 80.7 | 47% | 0.471 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -71.6 | -34.6 | 177.2 | -172.9 | 64.2 | 0 | 0 | 0 | 111.9 | K121 M126 K127 | K121-L123 PolarHBondContact O-N 2.97Å; L123-M126 PolarHBondContact O-N 3.34Å; L123-K127 WeakPolarHBondContact O-CG 3.45Å; L123-K127 PolarHBondContact O-N 2.7Å |
| 124 | E | 75.4 | Confident | 73.4 | Confident | 126 Ų | 126 | 77.3 Ų | 77.3 | 59% | 0.589 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.9 | -45.2 | 175.5 | -170.4 | 177.3 | -165.8 | 0 | 0 | 111.2 | K121 K127 T128 | K121-E124 PolarHBondContact O-N 2.87Å; E124-K127 PolarHBondContact O-N 3.27Å; E124-T128 WeakPolarHBondContact O-CB 3.48Å; E124-T128 PolarHBondContact O-N 3Å; E124-T128 PolarHBondContact O-OG1 2.97Å |
| 125 | I | 76.7 | Confident | 74.7 | Confident | 26 Ų | 26 | 76.2 Ų | 76.2 | 13% | 0.133 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 175.9 | -66.6 | 163.8 | 0 | 0 | 0 | 110.7 | K121 K127 T128 I129 E184 | K121-I125 HydrophobicContact CB-CD1 4.41Å; K121-I125 WeakPolarHBondContact O-CD1 3.1Å; K121-I125 VanDerWaalsContact O-CG1 3.24Å; K121-I125 WeakPolarHBondContact O-CG1 3.17Å; K121-I125 PolarHBondContact O-N 3.25Å; I125-K127 VanDerWaalsContact C-N 3.3Å; I125-K127 PolarHBondContact O-N 2.78Å; I125-T128 WeakPolarHBondContact O-CA 3.29Å; I125-T128 VanDerWaalsContact O-CB 3.32Å; I125-T128 WeakPolarHBondContact O-CB 3.25Å; I125-T128 PolarHBondContact O-N 2.75Å; I125-I129 HydrophobicContact CG2-CG2 4.36Å; I125-I129 WeakPolarHBondContact O-CG1 3.19Å; I125-I129 PolarHBondContact O-N 3.33Å; I125-E184 HydrophobicContact CG2-CG 4.15Å |
| 126 | M | 81 | Confident | 76.4 | Confident | 9 Ų | 9 | 71 Ų | 71 | 4% | 0.044 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.2 | -43.1 | 176.9 | -70.9 | -67 | -92.2 | 0 | 0 | 112.3 | E98 Y101 I102 D122 L123 T128 I129 Q130 F131 | E98-M126 HydrophobicContact CB-CE 4.44Å; E98-M126 HydrophobicContact CG-CE 3.42Å; E98-M126 VanDerWaalsContact CG-CE 3.42Å; Y101-M126 HydrophobicContact CD1-CE 3.56Å; Y101-M126 HydrophobicContact CD1-SD 3.29Å; Y101-M126 WeakPolarHBondContact CD1-SD 3.35Å; Y101-M126 HydrophobicContact CE1-CE 4.15Å; Y101-M126 HydrophobicContact CE1-SD 3.26Å; Y101-M126 WeakPolarHBondContact CE1-SD 3.26Å; Y101-M126 HydrophobicContact CG-CE 4.34Å; Y101-M126 HydrophobicContact CG-SD 4.46Å; I102-M126 HydrophobicContact CG1-CE 4.28Å; D122-M126 WeakPolarHBondContact O-CG 3.43Å; D122-M126 PolarHBondContact O-N 3.31Å; D122-M126 VanDerWaalsContact O-N 3.11Å; L123-M126 PolarHBondContact O-N 3.34Å; M126-T128 VanDerWaalsContact C-N 3.33Å; M126-I129 HydrophobicContact SD-CD1 4.49Å; M126-Q130 PolarHBondContact O-N 2.84Å; M126-Q130 VanDerWaalsContact O-N 3.17Å; M126-F131 HydrophobicContact CB-CB 4.46Å; M126-F131 HydrophobicContact CE-CB 3.64Å; M126-F131 HydrophobicContact CE-CD1 3.25Å; M126-F131 HydrophobicContact CE-CD2 3.85Å; M126-F131 HydrophobicContact CE-CE1 3.83Å; M126-F131 HydrophobicContact CE-CE2 4.36Å; M126-F131 HydrophobicContact CE-CG 3.27Å; M126-F131 HydrophobicContact CE-CZ 4.35Å; M126-F131 PolarHBondContact O-N 3.32Å; M126-F131 HydrophobicContact SD-CB 3.69Å; M126-F131 HydrophobicContact SD-CD1 4.38Å; M126-F131 HydrophobicContact SD-CD2 4.11Å; M126-F131 HydrophobicContact SD-CG 3.8Å |
| 127 | K | 80.6 | Confident | 78.4 | Confident | 146 Ų | 146 | 67 Ų | 67 | 64% | 0.635 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -66.2 | -37.7 | 174.2 | -71.4 | 174.3 | 179.9 | 178.5 | 0 | 111.9 | L123 E124 I125 Q130 | L123-K127 WeakPolarHBondContact O-CG 3.45Å; L123-K127 PolarHBondContact O-N 2.7Å; E124-K127 PolarHBondContact O-N 3.27Å; I125-K127 VanDerWaalsContact C-N 3.3Å; I125-K127 PolarHBondContact O-N 2.78Å; K127-Q130 PolarHBondContact O-N 2.8Å |
| 128 | T | 76.8 | Confident | 80.3 | Confident | 52 Ų | 52 | 59.7 Ų | 59.7 | 32% | 0.319 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.5 | -47.6 | -178.8 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | E124 I125 M126 Q130 W224 | E124-T128 WeakPolarHBondContact O-CB 3.48Å; E124-T128 PolarHBondContact O-N 3Å; E124-T128 PolarHBondContact O-OG1 2.97Å; I125-T128 WeakPolarHBondContact O-CA 3.29Å; I125-T128 VanDerWaalsContact O-CB 3.32Å; I125-T128 WeakPolarHBondContact O-CB 3.25Å; I125-T128 PolarHBondContact O-N 2.75Å; M126-T128 VanDerWaalsContact C-N 3.33Å; T128-Q130 PolarHBondContact O-N 3.15Å; T128-W224 HydrophobicContact CG2-CH2 3.3Å; T128-W224 HydrophobicContact CG2-CZ2 3.63Å; T128-W224 HydrophobicContact CG2-CZ3 4.29Å |
| 129 | I | 81.1 | Confident | 82.1 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -1.3 | 177.7 | 70.1 | -175.5 | 0 | 0 | 0 | 113 | Y101 I125 M126 F131 E184 F187 T219 | Y101-I129 HydrophobicContact CE1-CD1 4.41Å; I125-I129 HydrophobicContact CG2-CG2 4.36Å; I125-I129 WeakPolarHBondContact O-CG1 3.19Å; I125-I129 PolarHBondContact O-N 3.33Å; M126-I129 HydrophobicContact SD-CD1 4.49Å; I129-F131 HydrophobicContact CD1-CB 4.45Å; I129-F131 HydrophobicContact CG1-CB 4.24Å; I129-F131 PolarHBondContact O-N 2.8Å; I129-E184 HydrophobicContact CG2-CG 4.36Å; I129-F187 HydrophobicContact CB-CB 4.45Å; I129-F187 HydrophobicContact CB-CD1 3.87Å; I129-F187 HydrophobicContact CB-CE1 4.48Å; I129-F187 HydrophobicContact CB-CG 4.28Å; I129-F187 HydrophobicContact CD1-CD1 4.08Å; I129-F187 HydrophobicContact CD1-CD2 4.1Å; I129-F187 HydrophobicContact CD1-CE1 4.35Å; I129-F187 HydrophobicContact CD1-CE2 4.37Å; I129-F187 HydrophobicContact CD1-CG 3.96Å; I129-F187 HydrophobicContact CD1-CZ 4.5Å; I129-F187 HydrophobicContact CG1-CD1 4.01Å; I129-F187 HydrophobicContact CG1-CE1 4.21Å; I129-F187 HydrophobicContact CG1-CG 4.37Å; I129-T219 VanDerWaalsContact O-CB 3.26Å; I129-T219 WeakPolarHBondContact O-CB 3.24Å; I129-T219 PolarHBondContact O-OG1 3.26Å |
| 130 | Q | 83 | Confident | 83.6 | Confident | 55 Ų | 55 | 51.5 Ų | 51.5 | 26% | 0.257 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 52.7 | -176.1 | -57.7 | 176.3 | 8.9 | 0 | 0 | 112.2 | M126 K127 T128 H132 S305 | M126-Q130 PolarHBondContact O-N 2.84Å; M126-Q130 VanDerWaalsContact O-N 3.17Å; K127-Q130 PolarHBondContact O-N 2.8Å; T128-Q130 PolarHBondContact O-N 3.15Å; Q130-H132 PolarHBondContact O-CE1 2.87Å; Q130-H132 PolarHBondContact O-N 3.22Å; Q130-H132 PolarHBondContact O-NE2 2.81Å; Q130-S305 PolarHBondContact NE2-OG 3.4Å; Q130-S305 VanDerWaalsContact NE2-OG 3.17Å |
| 131 | F | 88.3 | Confident | 85 | Confident | 31 Ų | 31 | 49.5 Ų | 49.5 | 14% | 0.136 | 24% | 0.24 | C | C | . | . | trans | -59.7 | 138.5 | -179.8 | -178.7 | -87.5 | 0 | 0 | 0 | 111.6 | V96 E98 Y101 M126 I129 E133 F187 | V96-F131 HydrophobicContact CG1-CZ 4.31Å; E98-F131 HydrophobicContact CB-CE1 4.23Å; E98-F131 HydrophobicContact CG-CD1 4.44Å; E98-F131 HydrophobicContact CG-CE1 4.46Å; Y101-F131 HydrophobicContact CD1-CD2 4.09Å; Y101-F131 HydrophobicContact CD1-CE2 4.03Å; Y101-F131 HydrophobicContact CD2-CD2 4.11Å; Y101-F131 AromaticContact CD2-CE2 3.5Å; Y101-F131 HydrophobicContact CD2-CE2 3.5Å; Y101-F131 VanDerWaalsContact CD2-CE2 3.5Å; Y101-F131 HydrophobicContact CD2-CZ 4.29Å; Y101-F131 HydrophobicContact CE1-CD2 4.23Å; Y101-F131 HydrophobicContact CE1-CE2 4.5Å; Y101-F131 HydrophobicContact CE2-CD2 4.24Å; Y101-F131 HydrophobicContact CE2-CE2 4.02Å; Y101-F131 HydrophobicContact CG-CD2 4.02Å; Y101-F131 AromaticContact CG-CE2 3.5Å; Y101-F131 HydrophobicContact CG-CE2 3.5Å; Y101-F131 VanDerWaalsContact CG-CE2 3.5Å; Y101-F131 AromaticContact CG-CZ 3.99Å; Y101-F131 HydrophobicContact CG-CZ 3.99Å; M126-F131 HydrophobicContact CB-CB 4.46Å; M126-F131 HydrophobicContact CE-CB 3.64Å; M126-F131 HydrophobicContact CE-CD1 3.25Å; M126-F131 HydrophobicContact CE-CD2 3.85Å; M126-F131 HydrophobicContact CE-CE1 3.83Å; M126-F131 HydrophobicContact CE-CE2 4.36Å; M126-F131 HydrophobicContact CE-CG 3.27Å; M126-F131 HydrophobicContact CE-CZ 4.35Å; M126-F131 PolarHBondContact O-N 3.32Å; M126-F131 HydrophobicContact SD-CB 3.69Å; M126-F131 HydrophobicContact SD-CD1 4.38Å; M126-F131 HydrophobicContact SD-CD2 4.11Å; M126-F131 HydrophobicContact SD-CG 3.8Å; I129-F131 HydrophobicContact CD1-CB 4.45Å; I129-F131 HydrophobicContact CG1-CB 4.24Å; I129-F131 PolarHBondContact O-N 2.8Å; F131-E133 HydrophobicContact CE1-CG 4.45Å; F131-F187 HydrophobicContact CB-CZ 4.33Å; F131-F187 HydrophobicContact CD2-CE1 4.49Å; F131-F187 AromaticContact CD2-CE2 3.7Å; F131-F187 HydrophobicContact CD2-CE2 3.7Å; F131-F187 AromaticContact CD2-CZ 3.46Å; F131-F187 HydrophobicContact CD2-CZ 3.46Å; F131-F187 VanDerWaalsContact CD2-CZ 3.46Å; F131-F187 HydrophobicContact CE2-CE2 4.13Å; F131-F187 HydrophobicContact CE2-CZ 4.13Å; F131-F187 HydrophobicContact CG-CZ 4.25Å | ||
| 132 | H | 89 | Confident | 85.9 | Confident | 77 Ų | 77 | 51.8 Ų | 51.8 | 36% | 0.356 | 25% | 0.246 | S | C | . | . | trans | -140.4 | 140.1 | 175.9 | 24.8 | 35.1 | 0 | 0 | 0 | 109 | Q130 H134 | Q130-H132 PolarHBondContact O-CE1 2.87Å; Q130-H132 PolarHBondContact O-N 3.22Å; Q130-H132 PolarHBondContact O-NE2 2.81Å; H132-H134 PolarHBondContact O-N 3.09Å; H132-H134 PolarHBondContact O-ND1 3.29Å; H132-H134 VanDerWaalsContact O-ND1 3.09Å | ||
| 133 | E | 93 | Very high | 86.8 | Confident | 116 Ų | 116 | 51.6 Ų | 51.6 | 54% | 0.542 | 25% | 0.245 | S | C | . | . | trans | -60.9 | 126.8 | 176.6 | -60.5 | -164.4 | 152.2 | 0 | 0 | 109.7 | T95 V96 R97 E98 F131 | T95-E133 HydrophobicContact CG2-CB 3.83Å; V96-E133 WeakPolarHBondContact O-CA 3.36Å; R97-E133 WeakPolarHBondContact CA-OE1 3.38Å; E98-E133 PolarHBondContact N-OE1 3.25Å; F131-E133 HydrophobicContact CE1-CG 4.45Å | ||
| 134 | H | 92.6 | Very high | 87.1 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 3% | 0.028 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 150.9 | -173.7 | 64.5 | -83.4 | 0 | 0 | 0 | 110.6 | T95 V96 H132 E182 | T95-H134 WeakPolarHBondContact CA-O 3.34Å; V96-H134 PolarHBondContact N-O 3.47Å; H132-H134 PolarHBondContact O-N 3.09Å; H132-H134 PolarHBondContact O-ND1 3.29Å; H132-H134 VanDerWaalsContact O-ND1 3.09Å; H134-E182 IonicContact CE1-OE1 3.31Å; H134-E182 PolarHBondContact CE1-OE1 3.11Å; H134-E182 IonicContact CE1-OE2 3.75Å; H134-E182 IonicContact NE2-OE1 3.62Å; H134-E182 PolarHBondContact NE2-OE1 3.06Å; H134-E182 IonicContact NE2-OE2 3.45Å |
| 135 | P | 93.4 | Very high | 87.5 | Confident | 32 Ų | 32 | 42 Ų | 42 | 21% | 0.208 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 136.1 | 176.8 | 30.3 | -33.8 | 0 | 0 | 0 | 110 | P93 E94 L178 | P93-P135 HydrophobicContact CB-CB 4.13Å; P93-P135 HydrophobicContact CG-CB 4.32Å; E94-P135 WeakPolarHBondContact O-CA 3.37Å; P135-L178 HydrophobicContact CB-CD1 4.33Å; P135-L178 HydrophobicContact CG-CD1 4.18Å |
| 136 | A | 93.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 142.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | E94 V96 D179 | E94-A136 PolarHBondContact N-O 3.13Å; E94-A136 PolarHBondContact O-N 3.2Å; E94-A136 VanDerWaalsContact O-O 3.09Å; V96-A136 HydrophobicContact CG2-CB 3.48Å; V96-A136 VanDerWaalsContact CG2-CB 3.48Å; A136-D179 WeakPolarHBondContact CA-OD1 3.45Å |
| 137 | Q | 93.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -96.4 | -34.4 | 177.5 | -173.3 | 65 | -62.4 | 0 | 0 | 111.8 | L86 Y87 G90 R92 T175 L176 D179 | L86-Q137 CarbonylContact C-O 3.59Å; L86-Q137 WeakPolarHBondContact CA-O 3.46Å; L86-Q137 HydrophobicContact CB-CG 4.36Å; L86-Q137 HydrophobicContact CD1-CG 4.43Å; L86-Q137 HydrophobicContact CD2-CG 4.32Å; Y87-Q137 WeakPolarHBondContact CD2-O 3.46Å; Y87-Q137 PolarHBondContact N-O 3.11Å; Y87-Q137 PolarHBondContact O-OE1 3.18Å; G90-Q137 VanDerWaalsContact CA-NE2 3.31Å; G90-Q137 PolarHBondContact O-NE2 3.23Å; R92-Q137 PolarHBondContact O-OE1 3.2Å; Q137-T175 PolarHBondContact NE2-OG1 3.48Å; Q137-L176 HydrophobicContact CB-CD2 4.21Å; Q137-L176 HydrophobicContact CG-CD2 4.11Å; Q137-D179 PolarHBondContact N-OD1 2.66Å |
| 138 | W | 94.1 | Very high | 88.2 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -80.9 | 129.7 | 178.4 | -160 | -74.8 | 0 | 0 | 0 | 112.2 | I31 W34 V82 M85 L86 L140 R142 R143 T149 L150 L176 D179 | I31-W138 HydrophobicContact CD1-CH2 4.45Å; I31-W138 HydrophobicContact CD1-CZ2 3.55Å; I31-W138 HydrophobicContact CG1-CZ2 3.77Å; W34-W138 HydrophobicContact CZ3-CH2 4.17Å; V82-W138 HydrophobicContact CG1-CH2 4.13Å; V82-W138 HydrophobicContact CG1-CZ3 3.81Å; M85-W138 HydrophobicContact CB-CH2 4.44Å; M85-W138 HydrophobicContact CB-CZ2 3.88Å; M85-W138 HydrophobicContact CG-CZ2 4.33Å; M85-W138 HydrophobicContact SD-CH2 4.3Å; M85-W138 HydrophobicContact SD-CZ2 3.55Å; M85-W138 VanDerWaalsContact SD-CZ2 3.55Å; L86-W138 HydrophobicContact CD2-CD2 4.19Å; L86-W138 HydrophobicContact CD2-CE3 3.63Å; L86-W138 HydrophobicContact CD2-CZ3 4.15Å; W138-L140 PolarHBondContact O-N 3.34Å; W138-R142 PolarHBondContact NE1-O 3.35Å; W138-R143 HydrophobicContact CG-CG 4.34Å; W138-R143 PolarHBondContact O-NE 3.31Å; W138-R143 PolarHBondContact O-NH2 3.27Å; W138-T149 HydrophobicContact CB-CG2 3.6Å; W138-T149 HydrophobicContact CD2-CG2 4.16Å; W138-T149 HydrophobicContact CE3-CG2 4.44Å; W138-T149 HydrophobicContact CG-CG2 3.81Å; W138-L150 HydrophobicContact CH2-CB 3.53Å; W138-L150 HydrophobicContact CH2-CD2 4.41Å; W138-L150 HydrophobicContact CZ2-CB 4.45Å; W138-L150 HydrophobicContact CZ3-CB 3.69Å; W138-L176 HydrophobicContact CE3-CD2 4.13Å; W138-D179 WeakPolarHBondContact CB-OD2 3.46Å; W138-D179 PolarHBondContact N-OD1 3.32Å; W138-D179 VanDerWaalsContact N-OD1 3.15Å; W138-D179 PolarHBondContact N-OD2 3.34Å |
| 139 | K | 93.3 | Very high | 88.9 | Confident | 58 Ų | 58 | 36.4 Ų | 36.4 | 25% | 0.252 | 17% | 0.166 | S | C | . | . | trans | -56.1 | 125 | 178.7 | -74 | 171.7 | 178.3 | 150.5 | 0 | 111.8 | P84 M85 L86 Y87 N141 R142 R143 | P84-K139 PolarHBondContact O-NZ 2.84Å; M85-K139 WeakPolarHBondContact O-CB 3.09Å; M85-K139 VanDerWaalsContact O-CG 3.24Å; M85-K139 WeakPolarHBondContact O-CG 3.43Å; M85-K139 PolarHBondContact O-N 3.19Å; L86-K139 WeakPolarHBondContact O-CE 3.47Å; L86-K139 PolarHBondContact O-NZ 3.04Å; Y87-K139 HydrophobicContact CD1-CG 3.82Å; Y87-K139 HydrophobicContact CD2-CG 4.24Å; Y87-K139 HydrophobicContact CE1-CB 4.46Å; Y87-K139 HydrophobicContact CE1-CG 3.77Å; Y87-K139 VanDerWaalsContact CE2-CA 3.42Å; Y87-K139 HydrophobicContact CE2-CB 4.37Å; Y87-K139 HydrophobicContact CE2-CG 4.2Å; Y87-K139 HydrophobicContact CG-CG 4.05Å; K139-N141 VanDerWaalsContact C-N 3.3Å; K139-N141 PolarHBondContact O-N 3.06Å; K139-R142 HydrophobicContact CB-CB 4.16Å; K139-R142 HydrophobicContact CB-CG 4.02Å; K139-R142 WeakPolarHBondContact O-CA 3.36Å; K139-R142 PolarHBondContact O-N 3.4Å; K139-R143 PolarHBondContact O-N 2.93Å | ||
| 140 | L | 90.3 | Very high | 89.3 | Confident | 9 Ų | 9 | 36.4 Ų | 36.4 | 5% | 0.047 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -55.8 | -41.1 | -174.7 | -173 | 61.7 | 0 | 0 | 0 | 113 | Y87 V96 D100 W104 W138 R142 R143 E182 | Y87-L140 PolarHBondContact OH-N 3.05Å; V96-L140 HydrophobicContact CG1-CD2 4.15Å; D100-L140 WeakPolarHBondContact O-CD2 3.48Å; W104-L140 HydrophobicContact CB-CD1 4.35Å; W104-L140 HydrophobicContact CB-CD2 3.47Å; W104-L140 VanDerWaalsContact CB-CD2 3.47Å; W104-L140 HydrophobicContact CB-CG 3.67Å; W104-L140 VanDerWaalsContact CD1-O 3.24Å; W104-L140 HydrophobicContact CD2-CD1 3.88Å; W104-L140 HydrophobicContact CD2-CG 4.09Å; W104-L140 HydrophobicContact CE3-CD1 4.34Å; W104-L140 HydrophobicContact CG-CD1 3.88Å; W104-L140 HydrophobicContact CG-CD2 3.9Å; W104-L140 HydrophobicContact CG-CG 3.52Å; W104-L140 PolarHBondContact NE1-O 3.33Å; W138-L140 PolarHBondContact O-N 3.34Å; L140-R142 PolarHBondContact O-N 3.33Å; L140-R143 PolarHBondContact O-N 3.39Å; L140-E182 HydrophobicContact CD1-CB 4.5Å; L140-E182 HydrophobicContact CD1-CG 4.02Å |
| 141 | N | 88.5 | Confident | 89.7 | Confident | 109 Ų | 109 | 34 Ų | 34 | 58% | 0.583 | 15% | 0.154 | S | C | * | . | G | 310 helix | trans | -73.1 | -7.5 | 176.8 | 67.2 | -22.2 | 0 | 0 | 0 | 115.1 | K139 | K139-N141 VanDerWaalsContact C-N 3.3Å; K139-N141 PolarHBondContact O-N 3.06Å |
| 142 | R | 89.9 | Confident | 89.8 | Confident | 135 Ų | 135 | 32.5 Ų | 32.5 | 51% | 0.509 | 15% | 0.148 | S | C | . | . | G | 310 helix | trans | -109.7 | 7.7 | 178.5 | -60.3 | -60 | -170 | 166 | 2.7 | 112.8 | I31 M85 W138 K139 L140 | I31-R142 WeakPolarHBondContact CD1-O 3.45Å; M85-R142 HydrophobicContact CB-CB 4.33Å; W138-R142 PolarHBondContact NE1-O 3.35Å; K139-R142 HydrophobicContact CB-CB 4.16Å; K139-R142 HydrophobicContact CB-CG 4.02Å; K139-R142 WeakPolarHBondContact O-CA 3.36Å; K139-R142 PolarHBondContact O-N 3.4Å; L140-R142 PolarHBondContact O-N 3.33Å |
| 143 | R | 91 | Very high | 89.7 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -77.8 | 168.7 | 178 | -68.4 | -179.9 | 177 | -106 | -7.1 | 112.4 | N29 W138 K139 L140 G147 T149 D179 L180 | N29-R143 PolarHBondContact ND2-O 2.96Å; W138-R143 HydrophobicContact CG-CG 4.34Å; W138-R143 PolarHBondContact O-NE 3.31Å; W138-R143 PolarHBondContact O-NH2 3.27Å; K139-R143 PolarHBondContact O-N 2.93Å; L140-R143 PolarHBondContact O-N 3.39Å; R143-G147 WeakPolarHBondContact CD-O 3.35Å; R143-G147 PolarHBondContact NH1-O 3.37Å; R143-T149 VanDerWaalsContact NH1-CG2 3.26Å; R143-D179 IonicContact CZ-OD1 2.68Å; R143-D179 IonicContact NH2-OD1 3.78Å; R143-D179 PolarHBondContact NH2-OD1 2.9Å; R143-L180 PolarHBondContact NH1-O 3.48Å |
| 144 | G | 85 | Confident | 89.5 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -62 | 176.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N29 M108 R146 G147 E148 | N29-G144 WeakPolarHBondContact ND2-CA 3.47Å; M108-G144 VanDerWaalsContact CE-O 3.31Å; M108-G144 WeakPolarHBondContact CE-O 3.34Å; G144-R146 PolarHBondContact O-N 2.89Å; G144-G147 PolarHBondContact O-N 3.49Å; G144-E148 VanDerWaalsContact C-OE2 3.24Å; G144-E148 VanDerWaalsContact CA-OE2 3.27Å; G144-E148 WeakPolarHBondContact CA-OE2 3.42Å; G144-E148 PolarHBondContact N-O 3.24Å | ||
| 145 | V | 83 | Confident | 89.3 | Confident | 14 Ų | 14 | 24.6 Ų | 24.6 | 9% | 0.085 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -32 | 179.7 | -177.6 | 0 | 0 | 0 | 0 | 111.6 | V22 E25 V26 Y32 L112 G147 E148 | V22-V145 HydrophobicContact CG1-CG1 4.28Å; E25-V145 HydrophobicContact CB-CG2 3.87Å; E25-V145 HydrophobicContact CG-CG2 3.92Å; V26-V145 HydrophobicContact CG2-CB 4.45Å; V26-V145 HydrophobicContact CG2-CG2 3.65Å; Y32-V145 HydrophobicContact CE2-CG2 4.17Å; Y32-V145 PolarHBondContact OH-N 3.34Å; L112-V145 HydrophobicContact CD2-CG1 4.46Å; V145-G147 VanDerWaalsContact C-N 3.3Å; V145-E148 PolarHBondContact N-OE2 3.43Å |
| 146 | R | 78.7 | Confident | 88.8 | Confident | 109 Ų | 109 | 25 Ų | 25 | 41% | 0.411 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 15.1 | 174.1 | -58.7 | 179.4 | 171.8 | 173.3 | -5.3 | 112.5 | G144 E148 Y181 D183 | G144-R146 PolarHBondContact O-N 2.89Å; R146-E148 VanDerWaalsContact C-OE2 3.28Å; R146-E148 WeakPolarHBondContact CA-OE2 3.35Å; R146-E148 VanDerWaalsContact CB-OE2 3.26Å; R146-E148 WeakPolarHBondContact CB-OE2 3.3Å; R146-E148 PolarHBondContact N-OE2 3.34Å; R146-E148 PolarHBondContact O-N 2.81Å; R146-Y181 HydrophobicContact CB-CD1 4.17Å; R146-Y181 HydrophobicContact CB-CE1 4.22Å; R146-D183 VanDerWaalsContact C-CB 3.45Å; R146-D183 HydrophobicContact CB-CB 3.91Å; R146-D183 WeakPolarHBondContact O-CB 3.26Å; R146-D183 PolarHBondContact O-N 3.16Å |
| 147 | G | 86.3 | Confident | 88 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 70.1 | 16.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114 | R143 G144 V145 | R143-G147 WeakPolarHBondContact CD-O 3.35Å; R143-G147 PolarHBondContact NH1-O 3.37Å; G144-G147 PolarHBondContact O-N 3.49Å; V145-G147 VanDerWaalsContact C-N 3.3Å |
| 148 | E | 87.6 | Confident | 87.2 | Confident | 8 Ų | 8 | 31.4 Ų | 31.4 | 4% | 0.037 | 16% | 0.155 | C | C | . | . | trans | -75.6 | 156 | 177.9 | 70.1 | -91.4 | -133.8 | 0 | 0 | 112.6 | Y32 G144 V145 R146 H152 L153 Y181 | Y32-E148 WeakPolarHBondContact CE1-OE1 3.14Å; Y32-E148 VanDerWaalsContact CZ-OE1 3.26Å; Y32-E148 PolarHBondContact OH-OE1 2.95Å; Y32-E148 PolarHBondContact OH-OE2 3.06Å; G144-E148 VanDerWaalsContact C-OE2 3.24Å; G144-E148 VanDerWaalsContact CA-OE2 3.27Å; G144-E148 WeakPolarHBondContact CA-OE2 3.42Å; G144-E148 PolarHBondContact N-O 3.24Å; V145-E148 PolarHBondContact N-OE2 3.43Å; R146-E148 VanDerWaalsContact C-OE2 3.28Å; R146-E148 WeakPolarHBondContact CA-OE2 3.35Å; R146-E148 VanDerWaalsContact CB-OE2 3.26Å; R146-E148 WeakPolarHBondContact CB-OE2 3.3Å; R146-E148 PolarHBondContact N-OE2 3.34Å; R146-E148 PolarHBondContact O-N 2.81Å; E148-H152 HydrophobicContact CB-CB 4.06Å; E148-L153 HydrophobicContact CG-CD1 4.06Å; E148-L153 HydrophobicContact CG-CD2 3.83Å; E148-L153 HydrophobicContact CG-CG 3.78Å; E148-Y181 HydrophobicContact CB-CD1 3.93Å; E148-Y181 HydrophobicContact CB-CE1 3.4Å; E148-Y181 VanDerWaalsContact CB-CE1 3.4Å; E148-Y181 HydrophobicContact CG-CE1 4.39Å | ||
| 149 | T | 91.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -104 | 171.1 | 173.1 | 69.9 | 0 | 0 | 0 | 0 | 110.9 | W138 R143 L151 H152 L153 D179 | W138-T149 HydrophobicContact CB-CG2 3.6Å; W138-T149 HydrophobicContact CD2-CG2 4.16Å; W138-T149 HydrophobicContact CE3-CG2 4.44Å; W138-T149 HydrophobicContact CG-CG2 3.81Å; R143-T149 VanDerWaalsContact NH1-CG2 3.26Å; T149-L151 PolarHBondContact O-N 3.36Å; T149-H152 PolarHBondContact N-ND1 2.96Å; T149-H152 PolarHBondContact O-N 3.09Å; T149-H152 PolarHBondContact OG1-ND1 3.49Å; T149-L153 PolarHBondContact O-N 3.19Å; T149-D179 HydrophobicContact CG2-CB 3.74Å | ||
| 150 | L | 90.4 | Very high | 86.3 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55 | -40.1 | 174 | 179.8 | 61.4 | 0 | 0 | 0 | 111.8 | I31 W34 L35 L62 V82 W138 L153 L154 L169 | I31-L150 HydrophobicContact CG2-CB 4.01Å; I31-L150 HydrophobicContact CG2-CD1 3.95Å; W34-L150 HydrophobicContact CE3-CD1 4.37Å; W34-L150 HydrophobicContact CE3-CD2 4.15Å; W34-L150 HydrophobicContact CZ3-CD2 4.29Å; L35-L150 HydrophobicContact CD1-CD1 4.23Å; L35-L150 HydrophobicContact CD2-CD1 4.23Å; L35-L150 HydrophobicContact CG-CD1 4.19Å; L62-L150 HydrophobicContact CD2-CD1 4.13Å; L62-L150 HydrophobicContact CD2-CD2 4Å; L62-L150 HydrophobicContact CD2-CG 4.49Å; V82-L150 HydrophobicContact CG2-CD2 3.82Å; W138-L150 HydrophobicContact CH2-CB 3.53Å; W138-L150 HydrophobicContact CH2-CD2 4.41Å; W138-L150 HydrophobicContact CZ2-CB 4.45Å; W138-L150 HydrophobicContact CZ3-CB 3.69Å; L150-L153 PolarHBondContact O-N 2.73Å; L150-L154 HydrophobicContact CD1-CD1 4.34Å; L150-L154 HydrophobicContact CD1-CG 4.35Å; L150-L154 HydrophobicContact CG-CD1 4.01Å; L150-L154 HydrophobicContact CG-CG 4.46Å; L150-L154 WeakPolarHBondContact O-CG 3.34Å; L150-L154 PolarHBondContact O-N 2.9Å; L150-L169 HydrophobicContact CD2-CD1 4.04Å |
| 151 | L | 91.8 | Very high | 86.2 | Confident | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.5 | -43.3 | 179.5 | -171.4 | 66.8 | 0 | 0 | 0 | 112 | T149 L153 L154 L155 A166 L170 L176 C191 | T149-L151 PolarHBondContact O-N 3.36Å; L151-L153 VanDerWaalsContact C-N 3.33Å; L151-L153 PolarHBondContact O-N 2.91Å; L151-L154 PolarHBondContact O-N 3.44Å; L151-L155 HydrophobicContact CD1-CD1 4.48Å; L151-L155 HydrophobicContact CG-CD1 4.27Å; L151-L155 WeakPolarHBondContact O-CG 3.38Å; L151-L155 PolarHBondContact O-N 3.19Å; L151-A166 HydrophobicContact CD1-CB 3.6Å; L151-L170 HydrophobicContact CD1-CD1 4.15Å; L151-L170 HydrophobicContact CD1-CD2 4.49Å; L151-L170 HydrophobicContact CD1-CG 3.98Å; L151-L170 HydrophobicContact CD2-CD1 4.44Å; L151-L170 HydrophobicContact CD2-CD2 3.7Å; L151-L170 HydrophobicContact CD2-CG 4.1Å; L151-L176 HydrophobicContact CD2-CB 4.21Å; L151-C191 HydrophobicContact CD2-CB 4.09Å; L151-C191 VanDerWaalsContact CD2-SG 3.54Å; L151-C191 HydrophobicContact CG-CB 4.42Å; L151-C191 VanDerWaalsContact CG-SG 3.56Å |
| 152 | H | 90.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.2 | -43.3 | 176.3 | -70.4 | 98.7 | 0 | 0 | 0 | 112.1 | E148 T149 A156 D179 Y181 Q189 C191 L194 | E148-H152 HydrophobicContact CB-CB 4.06Å; T149-H152 PolarHBondContact N-ND1 2.96Å; T149-H152 PolarHBondContact O-N 3.09Å; T149-H152 PolarHBondContact OG1-ND1 3.49Å; H152-A156 WeakPolarHBondContact O-CB 3.49Å; H152-A156 PolarHBondContact O-N 2.91Å; H152-D179 PolarHBondContact CE1-O 3.5Å; H152-D179 PolarHBondContact NE2-O 2.91Å; H152-Y181 HydrophobicContact CB-CE2 3.74Å; H152-Y181 AromaticContact CD2-CD2 3.42Å; H152-Y181 VanDerWaalsContact CD2-CD2 3.42Å; H152-Y181 WeakPolarHBondContact CD2-CD2 3.24Å; H152-Y181 AromaticContact CD2-CE2 3.26Å; H152-Y181 WeakPolarHBondContact CD2-CE2 3.38Å; H152-Y181 AromaticContact CG-CD2 4Å; H152-Y181 AromaticContact CG-CE2 3.64Å; H152-Y181 AromaticContact NE2-CD2 3.84Å; H152-Q189 PolarHBondContact NE2-O 2.94Å; H152-C191 PolarHBondContact CD2-SG 3.17Å; H152-L194 HydrophobicContact CB-CD1 4.26Å; H152-L194 WeakPolarHBondContact O-CD1 3.5Å |
| 153 | L | 87.2 | Confident | 86.2 | Confident | 31 Ų | 31 | 28.3 Ų | 28.3 | 16% | 0.162 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.4 | -37.2 | -179.5 | -69 | 177.4 | 0 | 0 | 0 | 112.8 | I31 Y32 L35 E148 T149 L150 L151 A156 S157 | I31-L153 HydrophobicContact CG2-CD1 3.64Å; Y32-L153 HydrophobicContact CD1-CD1 3.69Å; Y32-L153 HydrophobicContact CE1-CD1 3.67Å; Y32-L153 HydrophobicContact CE1-CD2 4.25Å; L35-L153 HydrophobicContact CD1-CB 3.44Å; L35-L153 VanDerWaalsContact CD1-CB 3.44Å; L35-L153 HydrophobicContact CD1-CD1 3.83Å; L35-L153 HydrophobicContact CD1-CG 4.29Å; E148-L153 HydrophobicContact CG-CD1 4.06Å; E148-L153 HydrophobicContact CG-CD2 3.83Å; E148-L153 HydrophobicContact CG-CG 3.78Å; T149-L153 PolarHBondContact O-N 3.19Å; L150-L153 PolarHBondContact O-N 2.73Å; L151-L153 VanDerWaalsContact C-N 3.33Å; L151-L153 PolarHBondContact O-N 2.91Å; L153-A156 PolarHBondContact O-N 3.33Å; L153-S157 PolarHBondContact O-N 2.91Å; L153-S157 PolarHBondContact O-OG 3.23Å |
| 154 | L | 88.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.8 | -39.3 | 176.1 | -73.8 | 170.5 | 0 | 0 | 0 | 112.2 | L35 L150 L151 S157 S162 I165 A166 L169 | L35-L154 HydrophobicContact CD2-CD2 3.52Å; L35-L154 HydrophobicContact CD2-CG 4.25Å; L150-L154 HydrophobicContact CD1-CD1 4.34Å; L150-L154 HydrophobicContact CD1-CG 4.35Å; L150-L154 HydrophobicContact CG-CD1 4.01Å; L150-L154 HydrophobicContact CG-CG 4.46Å; L150-L154 WeakPolarHBondContact O-CG 3.34Å; L150-L154 PolarHBondContact O-N 2.9Å; L151-L154 PolarHBondContact O-N 3.44Å; L154-S157 PolarHBondContact O-OG 3.45Å; L154-S162 VanDerWaalsContact O-CB 3.3Å; L154-S162 WeakPolarHBondContact O-CB 3.23Å; L154-S162 PolarHBondContact O-OG 2.69Å; L154-I165 HydrophobicContact CD1-CB 4.46Å; L154-I165 HydrophobicContact CD1-CG2 3.83Å; L154-I165 HydrophobicContact CD2-CB 4.4Å; L154-I165 HydrophobicContact CD2-CG2 4.23Å; L154-A166 HydrophobicContact CB-CB 4.01Å; L154-A166 HydrophobicContact CD1-CB 4.31Å; L154-L169 HydrophobicContact CD1-CD1 3.81Å |
| 155 | L | 87 | Confident | 86.6 | Confident | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -78.5 | -34.3 | 176.4 | -65.5 | 177.9 | 0 | 0 | 0 | 112.1 | L151 S157 N158 T163 A166 C191 L194 H198 T203 L207 | L151-L155 HydrophobicContact CD1-CD1 4.48Å; L151-L155 HydrophobicContact CG-CD1 4.27Å; L151-L155 WeakPolarHBondContact O-CG 3.38Å; L151-L155 PolarHBondContact O-N 3.19Å; L155-S157 VanDerWaalsContact C-N 3.27Å; L155-S157 PolarHBondContact O-N 2.94Å; L155-N158 PolarHBondContact O-N 3.03Å; L155-T163 HydrophobicContact CD2-CG2 4.42Å; L155-A166 HydrophobicContact CD2-CB 3.74Å; L155-A166 HydrophobicContact CG-CB 4.12Å; L155-C191 HydrophobicContact CD1-CB 3.63Å; L155-L194 HydrophobicContact CB-CB 4.24Å; L155-L194 HydrophobicContact CB-CD1 4.35Å; L155-H198 PolarHBondContact O-CE1 3.2Å; L155-H198 PolarHBondContact O-ND1 3.2Å; L155-T203 HydrophobicContact CD1-CG2 4.41Å; L155-T203 HydrophobicContact CD2-CG2 3.79Å; L155-L207 HydrophobicContact CD1-CD1 4.32Å |
| 156 | A | 83.2 | Confident | 87.1 | Confident | 41 Ų | 41 | 31.5 Ų | 31.5 | 34% | 0.339 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -66.4 | -25.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | H152 L153 N158 L194 | H152-A156 WeakPolarHBondContact O-CB 3.49Å; H152-A156 PolarHBondContact O-N 2.91Å; L153-A156 PolarHBondContact O-N 3.33Å; A156-N158 VanDerWaalsContact C-N 3.31Å; A156-L194 HydrophobicContact CB-CD1 4.3Å |
| 157 | S | 77.2 | Confident | 87.8 | Confident | 37 Ų | 37 | 29.1 Ų | 29.1 | 26% | 0.259 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -18.8 | 178.7 | 43.7 | 0 | 0 | 0 | 0 | 114.5 | L153 L154 L155 D159 S162 | L153-S157 PolarHBondContact O-N 2.91Å; L153-S157 PolarHBondContact O-OG 3.23Å; L154-S157 PolarHBondContact O-OG 3.45Å; L155-S157 VanDerWaalsContact C-N 3.27Å; L155-S157 PolarHBondContact O-N 2.94Å; S157-D159 PolarHBondContact O-N 3.26Å; S157-S162 WeakPolarHBondContact OG-CB 3.31Å; S157-S162 PolarHBondContact OG-OG 3.24Å |
| 158 | N | 75.8 | Confident | 88.2 | Confident | 96 Ų | 96 | 30 Ų | 30 | 51% | 0.513 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 36.3 | -175.7 | -163.8 | 25.3 | 0 | 0 | 0 | 113.8 | L155 A156 H198 | L155-N158 PolarHBondContact O-N 3.03Å; A156-N158 VanDerWaalsContact C-N 3.31Å; N158-H198 VanDerWaalsContact CG-CD2 3.5Å |
| 159 | D | 83.5 | Confident | 88.4 | Confident | 71 Ų | 71 | 29.8 Ų | 29.8 | 38% | 0.38 | 17% | 0.167 | S | C | . | . | trans | -98.6 | 139 | 174 | 177.2 | 36.6 | 0 | 0 | 0 | 109 | S157 K161 S162 T163 | S157-D159 PolarHBondContact O-N 3.26Å; D159-K161 PolarHBondContact O-N 3.09Å; D159-S162 WeakPolarHBondContact CB-OG 3.45Å; D159-S162 PolarHBondContact N-OG 2.82Å; D159-S162 PolarHBondContact O-N 3.38Å; D159-S162 VanDerWaalsContact O-N 3.12Å; D159-S162 PolarHBondContact O-OG 2.94Å; D159-T163 PolarHBondContact O-N 2.84Å; D159-T163 PolarHBondContact O-OG1 3.39Å; D159-T163 VanDerWaalsContact O-OG1 3.09Å | ||
| 160 | A | 86.3 | Confident | 88.5 | Confident | 78 Ų | 78 | 29.8 Ų | 29.8 | 65% | 0.645 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -58.8 | -39.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | E164 | A160-E164 WeakPolarHBondContact O-CB 3.37Å; A160-E164 PolarHBondContact O-N 2.66Å |
| 161 | K | 87.6 | Confident | 88.6 | Confident | 89 Ų | 89 | 33.1 Ų | 33.1 | 39% | 0.387 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -67.6 | -44 | 177 | -59.8 | 176.4 | -175.7 | 175.2 | 0 | 111.5 | F66 E67 D159 T163 E164 I165 | F66-K161 HydrophobicContact CD1-CB 4.36Å; F66-K161 HydrophobicContact CE1-CB 4.26Å; F66-K161 HydrophobicContact CE1-CG 4.46Å; E67-K161 IonicContact OE1-NZ 2.63Å; E67-K161 PolarHBondContact OE1-NZ 2.96Å; D159-K161 PolarHBondContact O-N 3.09Å; K161-T163 VanDerWaalsContact C-N 3.34Å; K161-T163 PolarHBondContact O-N 3.18Å; K161-E164 PolarHBondContact O-N 3.36Å; K161-I165 WeakPolarHBondContact O-CD1 3.41Å; K161-I165 VanDerWaalsContact O-CG1 3.23Å; K161-I165 WeakPolarHBondContact O-CG1 3.22Å; K161-I165 PolarHBondContact O-N 2.71Å |
| 162 | S | 88 | Confident | 88.6 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.007 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.4 | -39 | -179.7 | 70.8 | 0 | 0 | 0 | 0 | 111.8 | L154 S157 D159 I165 A166 | L154-S162 VanDerWaalsContact O-CB 3.3Å; L154-S162 WeakPolarHBondContact O-CB 3.23Å; L154-S162 PolarHBondContact O-OG 2.69Å; S157-S162 WeakPolarHBondContact OG-CB 3.31Å; S157-S162 PolarHBondContact OG-OG 3.24Å; D159-S162 WeakPolarHBondContact CB-OG 3.45Å; D159-S162 PolarHBondContact N-OG 2.82Å; D159-S162 PolarHBondContact O-N 3.38Å; D159-S162 VanDerWaalsContact O-N 3.12Å; D159-S162 PolarHBondContact O-OG 2.94Å; S162-I165 PolarHBondContact O-N 3.08Å; S162-A166 WeakPolarHBondContact O-CB 3.33Å; S162-A166 PolarHBondContact O-N 3.02Å |
| 163 | T | 90.8 | Very high | 88.7 | Confident | 10 Ų | 10 | 38.8 Ų | 38.8 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65 | -40.9 | 174.2 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | L155 D159 K161 A166 R167 D200 T203 | L155-T163 HydrophobicContact CD2-CG2 4.42Å; D159-T163 PolarHBondContact O-N 2.84Å; D159-T163 PolarHBondContact O-OG1 3.39Å; D159-T163 VanDerWaalsContact O-OG1 3.09Å; K161-T163 VanDerWaalsContact C-N 3.34Å; K161-T163 PolarHBondContact O-N 3.18Å; T163-A166 WeakPolarHBondContact O-CB 3.49Å; T163-A166 PolarHBondContact O-N 2.81Å; T163-R167 WeakPolarHBondContact O-CG 3.5Å; T163-R167 PolarHBondContact O-N 3.03Å; T163-D200 WeakPolarHBondContact CG2-OD2 3.09Å; T163-T203 WeakPolarHBondContact CG2-OG1 3.19Å |
| 164 | E | 91.8 | Very high | 89 | Confident | 82 Ų | 82 | 40 Ų | 40 | 38% | 0.383 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.6 | -40.9 | 177.2 | -148.3 | 66.5 | -177.2 | 0 | 0 | 112.2 | F66 A160 K161 A166 R167 I168 | F66-E164 HydrophobicContact CZ-CB 4.13Å; F66-E164 HydrophobicContact CZ-CG 4.25Å; A160-E164 WeakPolarHBondContact O-CB 3.37Å; A160-E164 PolarHBondContact O-N 2.66Å; K161-E164 PolarHBondContact O-N 3.36Å; E164-A166 VanDerWaalsContact C-N 3.29Å; E164-A166 PolarHBondContact O-N 3.3Å; E164-R167 PolarHBondContact O-N 2.82Å; E164-R167 IonicContact OE2-CZ 2.74Å; E164-R167 IonicContact OE2-NE 3.27Å; E164-R167 IonicContact OE2-NH1 3.73Å; E164-R167 PolarHBondContact OE2-NH1 3.05Å; E164-I168 WeakPolarHBondContact O-CG1 3.47Å; E164-I168 PolarHBondContact O-N 3.33Å |
| 165 | I | 91.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.1 | -42.3 | 171.7 | -65.4 | 164.5 | 0 | 0 | 0 | 110.2 | L62 I63 F66 V74 L154 K161 S162 R167 I168 L169 | L62-I165 HydrophobicContact CD1-CG2 4.42Å; L62-I165 HydrophobicContact CD2-CG2 3.95Å; L62-I165 HydrophobicContact CG-CG2 4.17Å; I63-I165 HydrophobicContact CG1-CD1 4.34Å; F66-I165 HydrophobicContact CB-CD1 3.69Å; F66-I165 HydrophobicContact CB-CG1 3.87Å; F66-I165 HydrophobicContact CD1-CD1 3.97Å; F66-I165 HydrophobicContact CD1-CG1 3.92Å; F66-I165 HydrophobicContact CD2-CG1 3.88Å; F66-I165 HydrophobicContact CE1-CG1 4.43Å; F66-I165 HydrophobicContact CE2-CG1 4.39Å; F66-I165 HydrophobicContact CG-CD1 3.84Å; F66-I165 HydrophobicContact CG-CG1 3.6Å; V74-I165 HydrophobicContact CG1-CG2 4.08Å; V74-I165 HydrophobicContact CG2-CG1 4.29Å; L154-I165 HydrophobicContact CD1-CB 4.46Å; L154-I165 HydrophobicContact CD1-CG2 3.83Å; L154-I165 HydrophobicContact CD2-CB 4.4Å; L154-I165 HydrophobicContact CD2-CG2 4.23Å; K161-I165 WeakPolarHBondContact O-CD1 3.41Å; K161-I165 VanDerWaalsContact O-CG1 3.23Å; K161-I165 WeakPolarHBondContact O-CG1 3.22Å; K161-I165 PolarHBondContact O-N 2.71Å; S162-I165 PolarHBondContact O-N 3.08Å; I165-R167 PolarHBondContact O-N 2.84Å; I165-I168 PolarHBondContact O-N 3.46Å; I165-L169 HydrophobicContact CG2-CD1 4.18Å; I165-L169 WeakPolarHBondContact O-CG 3.26Å; I165-L169 PolarHBondContact O-N 3.23Å |
| 166 | A | 92.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.7 | -43.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L151 L154 L155 S162 T163 E164 L169 L170 | L151-A166 HydrophobicContact CD1-CB 3.6Å; L154-A166 HydrophobicContact CB-CB 4.01Å; L154-A166 HydrophobicContact CD1-CB 4.31Å; L155-A166 HydrophobicContact CD2-CB 3.74Å; L155-A166 HydrophobicContact CG-CB 4.12Å; S162-A166 WeakPolarHBondContact O-CB 3.33Å; S162-A166 PolarHBondContact O-N 3.02Å; T163-A166 WeakPolarHBondContact O-CB 3.49Å; T163-A166 PolarHBondContact O-N 2.81Å; E164-A166 VanDerWaalsContact C-N 3.29Å; E164-A166 PolarHBondContact O-N 3.3Å; A166-L169 PolarHBondContact O-N 3.24Å; A166-L170 WeakPolarHBondContact O-CB 3.23Å; A166-L170 WeakPolarHBondContact O-CG 3.48Å; A166-L170 PolarHBondContact O-N 3.2Å |
| 167 | R | 94.8 | Very high | 89.8 | Confident | 60 Ų | 60 | 39.5 Ų | 39.5 | 23% | 0.226 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.9 | -44 | 175.8 | -68.1 | 173.2 | -169.8 | 157.1 | -2.4 | 111.9 | T163 E164 I165 L169 L170 C171 D200 T203 L206 | T163-R167 WeakPolarHBondContact O-CG 3.5Å; T163-R167 PolarHBondContact O-N 3.03Å; E164-R167 PolarHBondContact O-N 2.82Å; E164-R167 IonicContact OE2-CZ 2.74Å; E164-R167 IonicContact OE2-NE 3.27Å; E164-R167 IonicContact OE2-NH1 3.73Å; E164-R167 PolarHBondContact OE2-NH1 3.05Å; I165-R167 PolarHBondContact O-N 2.84Å; R167-L169 VanDerWaalsContact C-N 3.34Å; R167-L169 PolarHBondContact O-N 3.45Å; R167-L170 PolarHBondContact O-N 3.15Å; R167-C171 PolarHBondContact O-N 3.29Å; R167-C171 PolarHBondContact O-SG 3.18Å; R167-D200 IonicContact CZ-OD2 2.81Å; R167-D200 VanDerWaalsContact NH2-CG 3.33Å; R167-D200 IonicContact NH2-OD1 3.18Å; R167-D200 PolarHBondContact NH2-OD1 2.9Å; R167-D200 IonicContact NH2-OD2 3.92Å; R167-D200 PolarHBondContact NH2-OD2 3.44Å; R167-T203 PolarHBondContact NE-OG1 3.39Å; R167-T203 PolarHBondContact NH2-OG1 3.21Å; R167-L206 HydrophobicContact CB-CD2 3.72Å; R167-L206 HydrophobicContact CG-CD2 3.78Å |
| 168 | I | 93.9 | Very high | 90.6 | Very high | 18 Ų | 18 | 39.4 Ų | 39.4 | 9% | 0.092 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59 | -46.2 | 175.8 | -68.5 | 163 | 0 | 0 | 0 | 110.7 | F66 R71 V74 L75 E164 I165 L170 C171 E172 | F66-I168 HydrophobicContact CD2-CD1 4.22Å; F66-I168 HydrophobicContact CE2-CD1 3.66Å; R71-I168 HydrophobicContact CB-CD1 4.16Å; R71-I168 HydrophobicContact CG-CD1 4.15Å; R71-I168 HydrophobicContact CG-CG1 4.18Å; R71-I168 HydrophobicContact CG-CG2 3.89Å; V74-I168 HydrophobicContact CB-CG2 4.31Å; V74-I168 HydrophobicContact CG1-CB 4.49Å; V74-I168 HydrophobicContact CG1-CG2 3.9Å; L75-I168 HydrophobicContact CD2-CG2 3.62Å; L75-I168 HydrophobicContact CG-CG2 4.49Å; E164-I168 WeakPolarHBondContact O-CG1 3.47Å; E164-I168 PolarHBondContact O-N 3.33Å; I165-I168 PolarHBondContact O-N 3.46Å; I168-L170 VanDerWaalsContact C-N 3.34Å; I168-L170 PolarHBondContact O-N 3.23Å; I168-C171 PolarHBondContact O-N 3.48Å; I168-E172 WeakPolarHBondContact O-CG 3.42Å; I168-E172 PolarHBondContact O-N 2.76Å |
| 169 | L | 92.7 | Very high | 91.4 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65 | -37.1 | 178.3 | -69.5 | 174.8 | 0 | 0 | 0 | 112.4 | V74 A78 L150 L154 I165 A166 R167 E172 Y173 | V74-L169 HydrophobicContact CG1-CD2 4.11Å; V74-L169 HydrophobicContact CG1-CG 4.33Å; A78-L169 HydrophobicContact CB-CD2 3.72Å; L150-L169 HydrophobicContact CD2-CD1 4.04Å; L154-L169 HydrophobicContact CD1-CD1 3.81Å; I165-L169 HydrophobicContact CG2-CD1 4.18Å; I165-L169 WeakPolarHBondContact O-CG 3.26Å; I165-L169 PolarHBondContact O-N 3.23Å; A166-L169 PolarHBondContact O-N 3.24Å; R167-L169 VanDerWaalsContact C-N 3.34Å; R167-L169 PolarHBondContact O-N 3.45Å; L169-E172 PolarHBondContact O-N 2.98Å; L169-Y173 PolarHBondContact O-N 3.27Å |
| 170 | L | 93.3 | Very high | 92 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.2 | -40.9 | 176.3 | -80.5 | 167 | 0 | 0 | 0 | 112.5 | L151 A166 R167 I168 E172 Y173 P174 L206 L207 | L151-L170 HydrophobicContact CD1-CD1 4.15Å; L151-L170 HydrophobicContact CD1-CD2 4.49Å; L151-L170 HydrophobicContact CD1-CG 3.98Å; L151-L170 HydrophobicContact CD2-CD1 4.44Å; L151-L170 HydrophobicContact CD2-CD2 3.7Å; L151-L170 HydrophobicContact CD2-CG 4.1Å; A166-L170 WeakPolarHBondContact O-CB 3.23Å; A166-L170 WeakPolarHBondContact O-CG 3.48Å; A166-L170 PolarHBondContact O-N 3.2Å; R167-L170 PolarHBondContact O-N 3.15Å; I168-L170 VanDerWaalsContact C-N 3.34Å; I168-L170 PolarHBondContact O-N 3.23Å; L170-E172 PolarHBondContact O-N 3.33Å; L170-Y173 CarbonylContact O-C 3.57Å; L170-P174 VanDerWaalsContact O-CA 3.23Å; L170-P174 WeakPolarHBondContact O-CA 3.26Å; L170-P174 VanDerWaalsContact O-N 3.14Å; L170-L206 HydrophobicContact CB-CD2 3.96Å; L170-L206 HydrophobicContact CB-CG 4.37Å; L170-L206 HydrophobicContact CD1-CD2 4.16Å; L170-L207 HydrophobicContact CD1-CD2 3.58Å; L170-L207 HydrophobicContact CD1-CG 3.97Å; L170-L207 HydrophobicContact CD2-CD2 3.74Å; L170-L207 HydrophobicContact CG-CD2 4.32Å |
| 171 | C | 92.4 | Very high | 92.2 | Very high | 72 Ų | 72 | 28.5 Ų | 28.5 | 49% | 0.486 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -60.7 | -34 | 178.2 | -70.8 | 0 | 0 | 0 | 0 | 113 | R167 I168 | R167-C171 PolarHBondContact O-N 3.29Å; R167-C171 PolarHBondContact O-SG 3.18Å; I168-C171 PolarHBondContact O-N 3.48Å |
| 172 | E | 91.4 | Very high | 92.3 | Very high | 82 Ų | 82 | 24.3 Ų | 24.3 | 38% | 0.383 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -93.2 | -34.6 | -177.4 | -55.8 | -74.3 | 157 | 0 | 0 | 112.3 | R71 L75 I168 L169 L170 P174 | R71-E172 IonicContact CZ-OE1 3.86Å; R71-E172 IonicContact NE-OE1 3.03Å; R71-E172 IonicContact NH2-OE1 2.69Å; R71-E172 PolarHBondContact NH2-OE1 3.11Å; L75-E172 HydrophobicContact CD1-CG 4.34Å; L75-E172 HydrophobicContact CD2-CB 4.47Å; L75-E172 HydrophobicContact CD2-CG 3.46Å; L75-E172 VanDerWaalsContact CD2-CG 3.46Å; I168-E172 WeakPolarHBondContact O-CG 3.42Å; I168-E172 PolarHBondContact O-N 2.76Å; L169-E172 PolarHBondContact O-N 2.98Å; L170-E172 PolarHBondContact O-N 3.33Å; E172-P174 WeakPolarHBondContact O-CD 3.23Å |
| 173 | Y | 92.9 | Very high | 92.1 | Very high | 41 Ų | 41 | 26.3 Ų | 26.3 | 16% | 0.161 | 14% | 0.136 | C | C | . | . | trans | -124.8 | 72 | 179.6 | -53.9 | -73.3 | 0 | 0 | 0 | 110.4 | A78 V83 L86 L169 L170 T175 L176 | A78-Y173 HydrophobicContact CB-CE2 3.95Å; V83-Y173 HydrophobicContact CG2-CE1 4Å; V83-Y173 WeakPolarHBondContact CG2-OH 3.4Å; L86-Y173 HydrophobicContact CD1-CD1 4.29Å; L86-Y173 HydrophobicContact CD1-CG 4.48Å; L169-Y173 PolarHBondContact O-N 3.27Å; L170-Y173 CarbonylContact O-C 3.57Å; Y173-T175 PolarHBondContact O-N 3.12Å; Y173-T175 VanDerWaalsContact O-N 3.13Å; Y173-L176 HydrophobicContact CG-CD1 4.44Å; Y173-L176 WeakPolarHBondContact O-CB 3.26Å; Y173-L176 PolarHBondContact O-N 3.07Å; Y173-L176 VanDerWaalsContact O-N 3.09Å | ||
| 174 | P | 92.1 | Very high | 91.6 | Very high | 55 Ų | 55 | 28.6 Ų | 28.6 | 36% | 0.357 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -62.2 | -26.9 | -174.5 | 23.5 | -34.6 | 0 | 0 | 0 | 113 | L170 E172 L176 S177 C210 | L170-P174 VanDerWaalsContact O-CA 3.23Å; L170-P174 WeakPolarHBondContact O-CA 3.26Å; L170-P174 VanDerWaalsContact O-N 3.14Å; E172-P174 WeakPolarHBondContact O-CD 3.23Å; P174-L176 PolarHBondContact O-N 3.35Å; P174-S177 VanDerWaalsContact O-CB 3.26Å; P174-S177 WeakPolarHBondContact O-CB 3.34Å; P174-S177 PolarHBondContact O-N 2.53Å; P174-S177 VanDerWaalsContact O-N 3.12Å; P174-S177 PolarHBondContact O-OG 2.87Å; P174-C210 HydrophobicContact CB-CB 3.81Å |
| 175 | T | 91.1 | Very high | 90.9 | Very high | 30 Ų | 30 | 28.9 Ų | 28.9 | 18% | 0.184 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -64.8 | -17.4 | 178 | 49.1 | 0 | 0 | 0 | 0 | 114.1 | G90 Q137 Y173 S177 L178 | G90-T175 PolarHBondContact O-OG1 3.27Å; Q137-T175 PolarHBondContact NE2-OG1 3.48Å; Y173-T175 PolarHBondContact O-N 3.12Å; Y173-T175 VanDerWaalsContact O-N 3.13Å; T175-S177 PolarHBondContact O-N 3.07Å; T175-L178 PolarHBondContact O-N 2.97Å |
| 176 | L | 92.6 | Very high | 90.5 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.016 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -64.4 | -21.4 | 172.4 | -71.7 | 175.2 | 0 | 0 | 0 | 113 | L86 Q137 W138 L151 Y173 P174 L178 D179 | L86-L176 HydrophobicContact CD1-CD2 4.47Å; L86-L176 HydrophobicContact CD2-CD2 3.65Å; Q137-L176 HydrophobicContact CB-CD2 4.21Å; Q137-L176 HydrophobicContact CG-CD2 4.11Å; W138-L176 HydrophobicContact CE3-CD2 4.13Å; L151-L176 HydrophobicContact CD2-CB 4.21Å; Y173-L176 HydrophobicContact CG-CD1 4.44Å; Y173-L176 WeakPolarHBondContact O-CB 3.26Å; Y173-L176 PolarHBondContact O-N 3.07Å; Y173-L176 VanDerWaalsContact O-N 3.09Å; P174-L176 PolarHBondContact O-N 3.35Å; L176-L178 PolarHBondContact O-N 2.91Å; L176-D179 PolarHBondContact O-N 3.45Å |
| 177 | S | 92.7 | Very high | 90.3 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.014 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -62.3 | -20.2 | 177.5 | 68.4 | 0 | 0 | 0 | 0 | 113.5 | P174 T175 C210 | P174-S177 VanDerWaalsContact O-CB 3.26Å; P174-S177 WeakPolarHBondContact O-CB 3.34Å; P174-S177 PolarHBondContact O-N 2.53Å; P174-S177 VanDerWaalsContact O-N 3.12Å; P174-S177 PolarHBondContact O-OG 2.87Å; T175-S177 PolarHBondContact O-N 3.07Å; S177-C210 PolarHBondContact OG-O 3Å; S177-C210 VanDerWaalsContact OG-O 3.11Å |
| 178 | L | 93.4 | Very high | 90.1 | Very high | 34 Ų | 34 | 27.1 Ų | 27.1 | 18% | 0.178 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -82.6 | -15.5 | -179.5 | -63.1 | 175 | 0 | 0 | 0 | 113.8 | P93 P135 T175 L176 G211 K213 | P93-L178 HydrophobicContact CG-CD1 4.2Å; P135-L178 HydrophobicContact CB-CD1 4.33Å; P135-L178 HydrophobicContact CG-CD1 4.18Å; T175-L178 PolarHBondContact O-N 2.97Å; L176-L178 PolarHBondContact O-N 2.91Å; L178-G211 WeakPolarHBondContact CD2-O 3.17Å; L178-K213 HydrophobicContact CD2-CG 4.34Å |
| 179 | D | 94.3 | Very high | 90 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -66.7 | 141.9 | -177 | -74.8 | -37.8 | 0 | 0 | 0 | 111.8 | A136 Q137 W138 R143 T149 H152 L176 | A136-D179 WeakPolarHBondContact CA-OD1 3.45Å; Q137-D179 PolarHBondContact N-OD1 2.66Å; W138-D179 WeakPolarHBondContact CB-OD2 3.46Å; W138-D179 PolarHBondContact N-OD1 3.32Å; W138-D179 VanDerWaalsContact N-OD1 3.15Å; W138-D179 PolarHBondContact N-OD2 3.34Å; R143-D179 IonicContact CZ-OD1 2.68Å; R143-D179 IonicContact NH2-OD1 3.78Å; R143-D179 PolarHBondContact NH2-OD1 2.9Å; T149-D179 HydrophobicContact CG2-CB 3.74Å; H152-D179 PolarHBondContact CE1-O 3.5Å; H152-D179 PolarHBondContact NE2-O 2.91Å; L176-D179 PolarHBondContact O-N 3.45Å | ||
| 180 | L | 94.6 | Very high | 90 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.016 | 14% | 0.141 | C | C | . | . | B | Isolated β-bridge | trans | -119.2 | 161.4 | 179.5 | -51 | 179.9 | 0 | 0 | 0 | 111.5 | R143 Q189 Q216 | R143-L180 PolarHBondContact NH1-O 3.48Å; L180-Q189 WeakPolarHBondContact CA-O 3.49Å; L180-Q216 HydrophobicContact CD2-CG 3.62Å |
| 181 | Y | 90.3 | Very high | 90 | Very high | 14 Ų | 14 | 26.8 Ų | 26.8 | 6% | 0.055 | 14% | 0.141 | C | C | . | . | trans | -67.4 | 133.7 | 158.9 | -84.8 | -95.1 | 0 | 0 | 0 | 110.3 | R146 E148 H152 M186 F187 G188 Q189 L194 | R146-Y181 HydrophobicContact CB-CD1 4.17Å; R146-Y181 HydrophobicContact CB-CE1 4.22Å; E148-Y181 HydrophobicContact CB-CD1 3.93Å; E148-Y181 HydrophobicContact CB-CE1 3.4Å; E148-Y181 VanDerWaalsContact CB-CE1 3.4Å; E148-Y181 HydrophobicContact CG-CE1 4.39Å; H152-Y181 HydrophobicContact CB-CE2 3.74Å; H152-Y181 AromaticContact CD2-CD2 3.42Å; H152-Y181 VanDerWaalsContact CD2-CD2 3.42Å; H152-Y181 WeakPolarHBondContact CD2-CD2 3.24Å; H152-Y181 AromaticContact CD2-CE2 3.26Å; H152-Y181 WeakPolarHBondContact CD2-CE2 3.38Å; H152-Y181 AromaticContact CG-CD2 4Å; H152-Y181 AromaticContact CG-CE2 3.64Å; H152-Y181 AromaticContact NE2-CD2 3.84Å; Y181-M186 VanDerWaalsContact CB-O 3.23Å; Y181-M186 WeakPolarHBondContact CB-O 3.17Å; Y181-M186 HydrophobicContact CD1-CB 3.85Å; Y181-M186 HydrophobicContact CG-CB 3.99Å; Y181-F187 WeakPolarHBondContact O-CA 3.4Å; Y181-G188 PolarHBondContact O-N 3.43Å; Y181-Q189 HydrophobicContact CD2-CB 3.84Å; Y181-Q189 HydrophobicContact CD2-CG 4.27Å; Y181-Q189 WeakPolarHBondContact CD2-O 3.31Å; Y181-Q189 HydrophobicContact CG-CB 4.38Å; Y181-Q189 PolarHBondContact N-O 3.12Å; Y181-L194 HydrophobicContact CE2-CD1 4.18Å | ||
| 182 | E | 90.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -107.1 | -8.8 | -174.3 | -63.9 | -76.4 | -160.2 | 0 | 0 | 113.4 | Y101 W104 H134 L140 | Y101-E182 HydrophobicContact CE2-CB 4.02Å; Y101-E182 VanDerWaalsContact CE2-O 3.23Å; Y101-E182 WeakPolarHBondContact CE2-O 3.24Å; Y101-E182 WeakPolarHBondContact CE2-OE2 3.22Å; Y101-E182 PolarHBondContact OH-O 3.44Å; W104-E182 HydrophobicContact CH2-CB 3.79Å; W104-E182 HydrophobicContact CZ2-CB 4.48Å; W104-E182 HydrophobicContact CZ3-CB 3.81Å; H134-E182 IonicContact CE1-OE1 3.31Å; H134-E182 PolarHBondContact CE1-OE1 3.11Å; H134-E182 IonicContact CE1-OE2 3.75Å; H134-E182 IonicContact NE2-OE1 3.62Å; H134-E182 PolarHBondContact NE2-OE1 3.06Å; H134-E182 IonicContact NE2-OE2 3.45Å; L140-E182 HydrophobicContact CD1-CB 4.5Å; L140-E182 HydrophobicContact CD1-CG 4.02Å | ||
| 183 | D | 82.7 | Confident | 90.2 | Very high | 43 Ų | 43 | 19.5 Ų | 19.5 | 23% | 0.23 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -75.7 | 153.6 | -178.4 | -174.9 | 25.2 | 0 | 0 | 0 | 113.6 | R146 E185 M186 F187 | R146-D183 VanDerWaalsContact C-CB 3.45Å; R146-D183 HydrophobicContact CB-CB 3.91Å; R146-D183 WeakPolarHBondContact O-CB 3.26Å; R146-D183 PolarHBondContact O-N 3.16Å; D183-E185 VanDerWaalsContact C-N 3.25Å; D183-E185 PolarHBondContact O-N 2.89Å; D183-M186 PolarHBondContact O-N 3.17Å; D183-F187 WeakPolarHBondContact O-CA 3.29Å; D183-F187 WeakPolarHBondContact O-CB 3.18Å; D183-F187 PolarHBondContact O-N 3Å |
| 184 | E | 81.2 | Confident | 90.1 | Very high | 58 Ų | 58 | 17.9 Ų | 17.9 | 27% | 0.271 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -38.6 | -177.2 | -175.9 | -173.2 | 148.3 | 0 | 0 | 112.1 | I125 I129 G220 R221 | I125-E184 HydrophobicContact CG2-CG 4.15Å; I129-E184 HydrophobicContact CG2-CG 4.36Å; E184-G220 WeakPolarHBondContact O-CA 3.46Å; E184-R221 PolarHBondContact O-N 3.33Å; E184-R221 IonicContact OE1-NH1 3.34Å; E184-R221 PolarHBondContact OE1-NH1 2.89Å; E184-R221 VanDerWaalsContact OE1-NH1 3.16Å |
| 185 | E | 77.6 | Confident | 90 | Very high | 88 Ų | 88 | 15.3 Ų | 15.3 | 41% | 0.411 | 8% | 0.077 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -46.7 | -178.2 | -65.7 | -173.9 | 175.1 | 0 | 0 | 111.8 | D183 G220 R221 F222 | D183-E185 VanDerWaalsContact C-N 3.25Å; D183-E185 PolarHBondContact O-N 2.89Å; E185-G220 CarbonylContact O-C 3.58Å; E185-G220 VanDerWaalsContact O-CA 3.31Å; E185-G220 WeakPolarHBondContact O-CA 3.11Å; E185-R221 PolarHBondContact O-N 3.41Å; E185-R221 VanDerWaalsContact O-N 3.12Å; E185-F222 WeakPolarHBondContact O-CB 3.38Å; E185-F222 PolarHBondContact O-N 3.11Å |
| 186 | M | 82.7 | Confident | 90.1 | Very high | 23 Ų | 23 | 14 Ų | 14 | 11% | 0.113 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 11.8 | -170.4 | -57.1 | -59.9 | -64.1 | 0 | 0 | 113.9 | Y181 D183 G188 Q189 F222 F223 | Y181-M186 VanDerWaalsContact CB-O 3.23Å; Y181-M186 WeakPolarHBondContact CB-O 3.17Å; Y181-M186 HydrophobicContact CD1-CB 3.85Å; Y181-M186 HydrophobicContact CG-CB 3.99Å; D183-M186 PolarHBondContact O-N 3.17Å; M186-G188 PolarHBondContact O-N 3.47Å; M186-Q189 WeakPolarHBondContact O-CB 3.37Å; M186-Q189 PolarHBondContact O-N 3.31Å; M186-F222 HydrophobicContact CE-CD1 4.01Å; M186-F222 HydrophobicContact CE-CE1 4.41Å; M186-F222 HydrophobicContact SD-CB 3.66Å; M186-F222 HydrophobicContact SD-CD1 3.69Å; M186-F222 HydrophobicContact SD-CD2 4.29Å; M186-F222 HydrophobicContact SD-CE1 4.43Å; M186-F222 HydrophobicContact SD-CG 3.61Å; M186-F223 HydrophobicContact CE-CE2 4.18Å; M186-F223 HydrophobicContact CE-CZ 3.69Å |
| 187 | F | 89.4 | Confident | 89.9 | Confident | 1 Ų | 1 | 16.1 Ų | 16.1 | 0% | 0.004 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | 134.8 | -171.5 | -175.1 | -107.5 | 0 | 0 | 0 | 113 | Y101 I129 F131 Y181 D183 Q189 T219 G220 | Y101-F187 HydrophobicContact CE2-CE2 4.24Å; I129-F187 HydrophobicContact CB-CB 4.45Å; I129-F187 HydrophobicContact CB-CD1 3.87Å; I129-F187 HydrophobicContact CB-CE1 4.48Å; I129-F187 HydrophobicContact CB-CG 4.28Å; I129-F187 HydrophobicContact CD1-CD1 4.08Å; I129-F187 HydrophobicContact CD1-CD2 4.1Å; I129-F187 HydrophobicContact CD1-CE1 4.35Å; I129-F187 HydrophobicContact CD1-CE2 4.37Å; I129-F187 HydrophobicContact CD1-CG 3.96Å; I129-F187 HydrophobicContact CD1-CZ 4.5Å; I129-F187 HydrophobicContact CG1-CD1 4.01Å; I129-F187 HydrophobicContact CG1-CE1 4.21Å; I129-F187 HydrophobicContact CG1-CG 4.37Å; F131-F187 HydrophobicContact CB-CZ 4.33Å; F131-F187 HydrophobicContact CD2-CE1 4.49Å; F131-F187 AromaticContact CD2-CE2 3.7Å; F131-F187 HydrophobicContact CD2-CE2 3.7Å; F131-F187 AromaticContact CD2-CZ 3.46Å; F131-F187 HydrophobicContact CD2-CZ 3.46Å; F131-F187 VanDerWaalsContact CD2-CZ 3.46Å; F131-F187 HydrophobicContact CE2-CE2 4.13Å; F131-F187 HydrophobicContact CE2-CZ 4.13Å; F131-F187 HydrophobicContact CG-CZ 4.25Å; Y181-F187 WeakPolarHBondContact O-CA 3.4Å; D183-F187 WeakPolarHBondContact O-CA 3.29Å; D183-F187 WeakPolarHBondContact O-CB 3.18Å; D183-F187 PolarHBondContact O-N 3Å; F187-Q189 PolarHBondContact O-N 3.09Å; F187-T219 VanDerWaalsContact CD1-OG1 3.27Å; F187-T219 WeakPolarHBondContact CD1-OG1 3.32Å; F187-T219 PolarHBondContact O-N 3.01Å; F187-G220 PolarHBondContact O-N 3.46Å |
| 188 | G | 90.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | -6.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y181 M186 S190 Q216 R217 | Y181-G188 PolarHBondContact O-N 3.43Å; M186-G188 PolarHBondContact O-N 3.47Å; G188-S190 PolarHBondContact O-N 3.5Å; G188-Q216 WeakPolarHBondContact O-CG 3.37Å; G188-Q216 PolarHBondContact O-NE2 3.45Å; G188-R217 CarbonylContact C-O 3.48Å; G188-R217 VanDerWaalsContact CA-O 3.31Å; G188-R217 WeakPolarHBondContact CA-O 3.45Å; G188-R217 VanDerWaalsContact O-O 3.06Å |
| 189 | Q | 91.2 | Very high | 89.4 | Confident | 9 Ų | 9 | 21 Ų | 21 | 4% | 0.042 | 11% | 0.105 | C | C | . | . | trans | -63.2 | 122.7 | 172.2 | -167.8 | -179 | 32.7 | 0 | 0 | 110.4 | H152 L180 Y181 M186 F187 H193 T218 F223 | H152-Q189 PolarHBondContact NE2-O 2.94Å; L180-Q189 WeakPolarHBondContact CA-O 3.49Å; Y181-Q189 HydrophobicContact CD2-CB 3.84Å; Y181-Q189 HydrophobicContact CD2-CG 4.27Å; Y181-Q189 WeakPolarHBondContact CD2-O 3.31Å; Y181-Q189 HydrophobicContact CG-CB 4.38Å; Y181-Q189 PolarHBondContact N-O 3.12Å; M186-Q189 WeakPolarHBondContact O-CB 3.37Å; M186-Q189 PolarHBondContact O-N 3.31Å; F187-Q189 PolarHBondContact O-N 3.09Å; Q189-H193 HydrophobicContact CG-CB 3.96Å; Q189-T218 VanDerWaalsContact CA-CG2 3.43Å; Q189-T218 HydrophobicContact CB-CG2 3.75Å; Q189-T218 HydrophobicContact CG-CG2 3.98Å; Q189-F223 HydrophobicContact CB-CE2 4.25Å; Q189-F223 HydrophobicContact CB-CZ 4.1Å; Q189-F223 HydrophobicContact CG-CZ 4.16Å | ||
| 190 | S | 92.6 | Very high | 89.3 | Confident | 5 Ų | 5 | 22.5 Ų | 22.5 | 4% | 0.035 | 11% | 0.112 | C | C | . | . | B | Isolated β-bridge | trans | -99.8 | 166 | 175 | 68.4 | 0 | 0 | 0 | 0 | 111.8 | G188 L192 H193 L194 | G188-S190 PolarHBondContact O-N 3.5Å; S190-L192 PolarHBondContact O-N 2.99Å; S190-L192 WeakPolarHBondContact OG-CB 3.27Å; S190-L192 PolarHBondContact OG-N 3.3Å; S190-H193 PolarHBondContact N-ND1 3.24Å; S190-H193 WeakPolarHBondContact O-CB 3.33Å; S190-H193 PolarHBondContact O-N 2.85Å; S190-H193 VanDerWaalsContact O-N 3.09Å; S190-H193 PolarHBondContact OG-ND1 2.83Å; S190-L194 PolarHBondContact O-N 3.12Å |
| 191 | C | 93.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.9 | -29.8 | 170.6 | -71.6 | 0 | 0 | 0 | 0 | 112.9 | L151 H152 L155 L194 A195 L207 | L151-C191 HydrophobicContact CD2-CB 4.09Å; L151-C191 VanDerWaalsContact CD2-SG 3.54Å; L151-C191 HydrophobicContact CG-CB 4.42Å; L151-C191 VanDerWaalsContact CG-SG 3.56Å; H152-C191 PolarHBondContact CD2-SG 3.17Å; L155-C191 HydrophobicContact CD1-CB 3.63Å; C191-L194 PolarHBondContact O-N 3.32Å; C191-A195 PolarHBondContact O-N 3.39Å; C191-L207 HydrophobicContact CB-CD1 4.17Å; C191-L207 HydrophobicContact CB-CD2 3.99Å |
| 192 | L | 94.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.9 | -42.8 | 175 | -176.7 | 61.9 | 0 | 0 | 0 | 111.7 | S190 L194 A195 I196 V204 L207 L208 A212 P277 L293 | S190-L192 PolarHBondContact O-N 2.99Å; S190-L192 WeakPolarHBondContact OG-CB 3.27Å; S190-L192 PolarHBondContact OG-N 3.3Å; L192-L194 VanDerWaalsContact C-N 3.34Å; L192-L194 PolarHBondContact O-N 3.42Å; L192-A195 PolarHBondContact O-N 2.92Å; L192-I196 HydrophobicContact CD1-CD1 4.32Å; L192-I196 HydrophobicContact CG-CD1 4.1Å; L192-I196 WeakPolarHBondContact O-CD1 3.05Å; L192-I196 VanDerWaalsContact O-CG1 3.23Å; L192-I196 WeakPolarHBondContact O-CG1 3.43Å; L192-I196 PolarHBondContact O-N 3.41Å; L192-I196 VanDerWaalsContact O-N 3.09Å; L192-V204 HydrophobicContact CD1-CB 4.46Å; L192-V204 HydrophobicContact CD1-CG1 3.95Å; L192-V204 HydrophobicContact CD1-CG2 4.39Å; L192-L207 HydrophobicContact CD1-CB 4.36Å; L192-L208 HydrophobicContact CD1-CD2 4.2Å; L192-L208 HydrophobicContact CD1-CG 4.17Å; L192-L208 HydrophobicContact CD2-CD2 3.9Å; L192-A212 HydrophobicContact CB-CB 4.5Å; L192-A212 HydrophobicContact CD2-CB 4.47Å; L192-P277 HydrophobicContact CD2-CB 3.89Å; L192-P277 HydrophobicContact CD2-CG 3.77Å; L192-P277 HydrophobicContact CG-CB 4.17Å; L192-P277 HydrophobicContact CG-CG 4.3Å; L192-L293 HydrophobicContact CD1-CD2 4.35Å; L192-L293 HydrophobicContact CD2-CD2 3.98Å; L192-L293 HydrophobicContact CG-CD2 4.47Å |
| 193 | H | 93 | Very high | 89.7 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.6 | -40.4 | 176.2 | -65.5 | 87.6 | 0 | 0 | 0 | 112.1 | Q189 S190 I196 L197 Q216 E275 P277 F280 | Q189-H193 HydrophobicContact CG-CB 3.96Å; S190-H193 PolarHBondContact N-ND1 3.24Å; S190-H193 WeakPolarHBondContact O-CB 3.33Å; S190-H193 PolarHBondContact O-N 2.85Å; S190-H193 VanDerWaalsContact O-N 3.09Å; S190-H193 PolarHBondContact OG-ND1 2.83Å; H193-I196 PolarHBondContact O-N 3.22Å; H193-L197 WeakPolarHBondContact O-CB 3.5Å; H193-L197 PolarHBondContact O-N 3.45Å; H193-Q216 PolarHBondContact CE1-O 3.32Å; H193-E275 PolarHBondContact NE2-O 3.31Å; H193-E275 VanDerWaalsContact NE2-O 3.11Å; H193-P277 WeakPolarHBondContact NE2-CD 3.07Å; H193-F280 HydrophobicContact CB-CE1 4.49Å; H193-F280 AromaticContact CD2-CD2 3.92Å; H193-F280 AromaticContact CD2-CE2 3.74Å; H193-F280 AromaticContact CD2-CZ 3.93Å |
| 194 | L | 90.7 | Very high | 90.3 | Very high | 8 Ų | 8 | 27.5 Ų | 27.5 | 4% | 0.042 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.9 | -40.4 | 178 | -67.9 | 175.4 | 0 | 0 | 0 | 112.2 | H152 L155 A156 Y181 S190 C191 L192 I196 L197 H198 | H152-L194 HydrophobicContact CB-CD1 4.26Å; H152-L194 WeakPolarHBondContact O-CD1 3.5Å; L155-L194 HydrophobicContact CB-CB 4.24Å; L155-L194 HydrophobicContact CB-CD1 4.35Å; A156-L194 HydrophobicContact CB-CD1 4.3Å; Y181-L194 HydrophobicContact CE2-CD1 4.18Å; S190-L194 PolarHBondContact O-N 3.12Å; C191-L194 PolarHBondContact O-N 3.32Å; L192-L194 VanDerWaalsContact C-N 3.34Å; L192-L194 PolarHBondContact O-N 3.42Å; L194-I196 VanDerWaalsContact C-N 3.35Å; L194-L197 PolarHBondContact O-N 3.41Å; L194-H198 PolarHBondContact O-N 3.09Å; L194-H198 PolarHBondContact O-ND1 3.22Å |
| 195 | A | 91.4 | Very high | 91 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.8 | -39.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | C191 L192 H198 N199 D200 T203 V204 L207 | C191-A195 PolarHBondContact O-N 3.39Å; L192-A195 PolarHBondContact O-N 2.92Å; A195-H198 PolarHBondContact O-N 3.01Å; A195-N199 PolarHBondContact O-N 3.38Å; A195-D200 PolarHBondContact O-N 3.49Å; A195-T203 HydrophobicContact CB-CG2 4.01Å; A195-V204 HydrophobicContact CB-CG2 3.73Å; A195-L207 HydrophobicContact CB-CD1 3.88Å |
| 196 | I | 91.5 | Very high | 91.8 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.2 | -43.4 | 175.3 | -64.4 | 166.2 | 0 | 0 | 0 | 111 | L192 H193 L194 H198 N199 V204 P277 F280 A281 F284 I289 L293 | L192-I196 HydrophobicContact CD1-CD1 4.32Å; L192-I196 HydrophobicContact CG-CD1 4.1Å; L192-I196 WeakPolarHBondContact O-CD1 3.05Å; L192-I196 VanDerWaalsContact O-CG1 3.23Å; L192-I196 WeakPolarHBondContact O-CG1 3.43Å; L192-I196 PolarHBondContact O-N 3.41Å; L192-I196 VanDerWaalsContact O-N 3.09Å; H193-I196 PolarHBondContact O-N 3.22Å; L194-I196 VanDerWaalsContact C-N 3.35Å; I196-H198 PolarHBondContact O-N 3.37Å; I196-N199 PolarHBondContact O-N 3.01Å; I196-V204 HydrophobicContact CG1-CG2 3.77Å; I196-P277 HydrophobicContact CD1-CB 3.61Å; I196-F280 HydrophobicContact CG2-CB 3.86Å; I196-A281 HydrophobicContact CG2-CB 4.14Å; I196-F284 HydrophobicContact CG2-CD2 4.4Å; I196-I289 HydrophobicContact CD1-CG2 4.4Å; I196-I289 HydrophobicContact CG1-CG2 3.87Å; I196-I289 HydrophobicContact CG2-CG2 4.32Å; I196-L293 HydrophobicContact CD1-CD1 3.86Å; I196-L293 HydrophobicContact CD1-CD2 4.47Å |
| 197 | L | 88.4 | Confident | 92.5 | Very high | 47 Ų | 47 | 22 Ų | 22 | 25% | 0.246 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57 | -36.7 | 177 | 178.1 | 64.1 | 0 | 0 | 0 | 112.2 | H193 L194 N199 F284 | H193-L197 WeakPolarHBondContact O-CB 3.5Å; H193-L197 PolarHBondContact O-N 3.45Å; L194-L197 PolarHBondContact O-N 3.41Å; L197-N199 VanDerWaalsContact C-N 3.31Å; L197-F284 HydrophobicContact CD1-CE1 4.2Å; L197-F284 HydrophobicContact CD1-CE2 3.96Å; L197-F284 HydrophobicContact CD1-CZ 3.38Å |
| 198 | H | 86.5 | Confident | 92.8 | Very high | 46 Ų | 46 | 22.1 Ų | 22.1 | 21% | 0.213 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 3.2 | 176.7 | -60.9 | 127.9 | 0 | 0 | 0 | 114.1 | L155 N158 L194 A195 I196 D200 | L155-H198 PolarHBondContact O-CE1 3.2Å; L155-H198 PolarHBondContact O-ND1 3.2Å; N158-H198 VanDerWaalsContact CG-CD2 3.5Å; L194-H198 PolarHBondContact O-N 3.09Å; L194-H198 PolarHBondContact O-ND1 3.22Å; A195-H198 PolarHBondContact O-N 3.01Å; I196-H198 PolarHBondContact O-N 3.37Å; H198-D200 PolarHBondContact O-N 3.35Å |
| 199 | N | 90.1 | Very high | 93 | Very high | 94 Ų | 94 | 28.8 Ų | 28.8 | 50% | 0.503 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 32.3 | -179.1 | -160.5 | 45.6 | 0 | 0 | 0 | 113.6 | A195 I196 L197 Y201 N286 | A195-N199 PolarHBondContact O-N 3.38Å; I196-N199 PolarHBondContact O-N 3.01Å; L197-N199 VanDerWaalsContact C-N 3.31Å; N199-Y201 PolarHBondContact O-N 3.01Å; N199-N286 PolarHBondContact OD1-ND2 3.42Å |
| 200 | D | 91.1 | Very high | 93.1 | Very high | 30 Ų | 30 | 29.5 Ų | 29.5 | 16% | 0.16 | 16% | 0.155 | C | C | . | . | trans | -93.3 | 87.5 | -178.4 | -176.8 | 1.6 | 0 | 0 | 0 | 111.4 | T163 R167 A195 H198 A202 T203 V204 | T163-D200 WeakPolarHBondContact CG2-OD2 3.09Å; R167-D200 IonicContact CZ-OD2 2.81Å; R167-D200 VanDerWaalsContact NH2-CG 3.33Å; R167-D200 IonicContact NH2-OD1 3.18Å; R167-D200 PolarHBondContact NH2-OD1 2.9Å; R167-D200 IonicContact NH2-OD2 3.92Å; R167-D200 PolarHBondContact NH2-OD2 3.44Å; A195-D200 PolarHBondContact O-N 3.49Å; H198-D200 PolarHBondContact O-N 3.35Å; D200-A202 VanDerWaalsContact C-N 3.32Å; D200-A202 PolarHBondContact O-N 2.99Å; D200-A202 PolarHBondContact OD1-N 3.45Å; D200-T203 VanDerWaalsContact CG-OG1 3.28Å; D200-T203 PolarHBondContact O-N 3Å; D200-T203 PolarHBondContact OD1-N 3.28Å; D200-T203 WeakPolarHBondContact OD2-CB 3.31Å; D200-T203 PolarHBondContact OD2-OG1 3.3Å; D200-V204 WeakPolarHBondContact O-CG2 3.49Å; D200-V204 PolarHBondContact O-N 3.39Å | ||
| 201 | Y | 94.5 | Very high | 93 | Very high | 111 Ų | 111 | 31.3 Ų | 31.3 | 44% | 0.435 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -55.9 | -42.3 | 179.7 | 177.9 | -100.6 | 0 | 0 | 0 | 113.2 | N199 T203 V204 C205 D288 I289 A292 | N199-Y201 PolarHBondContact O-N 3.01Å; Y201-T203 PolarHBondContact O-N 3.45Å; Y201-V204 WeakPolarHBondContact O-CB 3.35Å; Y201-V204 PolarHBondContact O-N 2.9Å; Y201-C205 VanDerWaalsContact CE1-SG 3.58Å; Y201-C205 PolarHBondContact O-N 3.28Å; Y201-C205 PolarHBondContact O-SG 3.09Å; Y201-C205 VanDerWaalsContact O-SG 3.39Å; Y201-D288 HydrophobicContact CD2-CB 3.89Å; Y201-D288 HydrophobicContact CE2-CB 3.84Å; Y201-D288 WeakPolarHBondContact CE2-O 3.41Å; Y201-I289 HydrophobicContact CD2-CG1 3.98Å; Y201-A292 HydrophobicContact CE2-CB 4.12Å |
| 202 | A | 95 | Very high | 93.1 | Very high | 54 Ų | 54 | 31.8 Ų | 31.8 | 45% | 0.446 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.4 | -42.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D200 L206 | D200-A202 VanDerWaalsContact C-N 3.32Å; D200-A202 PolarHBondContact O-N 2.99Å; D200-A202 PolarHBondContact OD1-N 3.45Å; A202-L206 PolarHBondContact O-N 3.27Å; A202-L206 VanDerWaalsContact O-N 3.07Å |
| 203 | T | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71.3 | -33.3 | 176.1 | -59.9 | 0 | 0 | 0 | 0 | 112 | L155 T163 R167 A195 D200 Y201 L206 L207 | L155-T203 HydrophobicContact CD1-CG2 4.41Å; L155-T203 HydrophobicContact CD2-CG2 3.79Å; T163-T203 WeakPolarHBondContact CG2-OG1 3.19Å; R167-T203 PolarHBondContact NE-OG1 3.39Å; R167-T203 PolarHBondContact NH2-OG1 3.21Å; A195-T203 HydrophobicContact CB-CG2 4.01Å; D200-T203 VanDerWaalsContact CG-OG1 3.28Å; D200-T203 PolarHBondContact O-N 3Å; D200-T203 PolarHBondContact OD1-N 3.28Å; D200-T203 WeakPolarHBondContact OD2-CB 3.31Å; D200-T203 PolarHBondContact OD2-OG1 3.3Å; Y201-T203 PolarHBondContact O-N 3.45Å; T203-L206 PolarHBondContact O-N 2.89Å; T203-L207 HydrophobicContact CG2-CD1 3.91Å; T203-L207 HydrophobicContact CG2-CG 4.24Å; T203-L207 WeakPolarHBondContact O-CB 3.44Å; T203-L207 VanDerWaalsContact O-CG 3.26Å; T203-L207 WeakPolarHBondContact O-CG 3.46Å; T203-L207 PolarHBondContact O-N 3.04Å |
| 204 | V | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.7 | -50.6 | 172.6 | 167.7 | 0 | 0 | 0 | 0 | 110.8 | L192 A195 I196 D200 Y201 L206 L207 L208 I289 | L192-V204 HydrophobicContact CD1-CB 4.46Å; L192-V204 HydrophobicContact CD1-CG1 3.95Å; L192-V204 HydrophobicContact CD1-CG2 4.39Å; A195-V204 HydrophobicContact CB-CG2 3.73Å; I196-V204 HydrophobicContact CG1-CG2 3.77Å; D200-V204 WeakPolarHBondContact O-CG2 3.49Å; D200-V204 PolarHBondContact O-N 3.39Å; Y201-V204 WeakPolarHBondContact O-CB 3.35Å; Y201-V204 PolarHBondContact O-N 2.9Å; V204-L206 PolarHBondContact O-N 2.93Å; V204-L207 PolarHBondContact O-N 2.93Å; V204-L208 HydrophobicContact CG1-CD1 3.89Å; V204-L208 HydrophobicContact CG1-CG 4.5Å; V204-L208 VanDerWaalsContact O-CG 3.32Å; V204-L208 WeakPolarHBondContact O-CG 3.45Å; V204-L208 PolarHBondContact O-N 3.2Å; V204-I289 HydrophobicContact CG1-CG2 4.34Å; V204-I289 HydrophobicContact CG2-CD1 4.4Å |
| 205 | C | 95.8 | Very high | 93 | Very high | 23 Ų | 23 | 40.2 Ų | 40.2 | 16% | 0.155 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.4 | -47.4 | 177.1 | -66.5 | 0 | 0 | 0 | 0 | 111.6 | Y201 L207 L208 E209 | Y201-C205 VanDerWaalsContact CE1-SG 3.58Å; Y201-C205 PolarHBondContact O-N 3.28Å; Y201-C205 PolarHBondContact O-SG 3.09Å; Y201-C205 VanDerWaalsContact O-SG 3.39Å; C205-L207 VanDerWaalsContact C-N 3.34Å; C205-L207 PolarHBondContact O-N 3.29Å; C205-L208 PolarHBondContact O-N 3.03Å; C205-E209 WeakPolarHBondContact O-CG 3.05Å; C205-E209 PolarHBondContact O-N 3.44Å |
| 206 | L | 95.5 | Very high | 93.1 | Very high | 31 Ų | 31 | 41 Ų | 41 | 16% | 0.162 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.1 | -41.9 | 179 | -174.5 | 67.4 | 0 | 0 | 0 | 112.2 | R167 L170 A202 T203 V204 E209 C210 | R167-L206 HydrophobicContact CB-CD2 3.72Å; R167-L206 HydrophobicContact CG-CD2 3.78Å; L170-L206 HydrophobicContact CB-CD2 3.96Å; L170-L206 HydrophobicContact CB-CG 4.37Å; L170-L206 HydrophobicContact CD1-CD2 4.16Å; A202-L206 PolarHBondContact O-N 3.27Å; A202-L206 VanDerWaalsContact O-N 3.07Å; T203-L206 PolarHBondContact O-N 2.89Å; V204-L206 PolarHBondContact O-N 2.93Å; L206-E209 PolarHBondContact O-N 3.36Å; L206-C210 WeakPolarHBondContact O-CB 3.34Å; L206-C210 PolarHBondContact O-N 3.35Å; L206-C210 PolarHBondContact O-SG 3.24Å |
| 207 | L | 96.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.8 | -43.1 | 176.8 | -78.6 | 167.9 | 0 | 0 | 0 | 111.6 | L155 L170 C191 L192 A195 T203 V204 C205 C210 G211 A212 | L155-L207 HydrophobicContact CD1-CD1 4.32Å; L170-L207 HydrophobicContact CD1-CD2 3.58Å; L170-L207 HydrophobicContact CD1-CG 3.97Å; L170-L207 HydrophobicContact CD2-CD2 3.74Å; L170-L207 HydrophobicContact CG-CD2 4.32Å; C191-L207 HydrophobicContact CB-CD1 4.17Å; C191-L207 HydrophobicContact CB-CD2 3.99Å; L192-L207 HydrophobicContact CD1-CB 4.36Å; A195-L207 HydrophobicContact CB-CD1 3.88Å; T203-L207 HydrophobicContact CG2-CD1 3.91Å; T203-L207 HydrophobicContact CG2-CG 4.24Å; T203-L207 WeakPolarHBondContact O-CB 3.44Å; T203-L207 VanDerWaalsContact O-CG 3.26Å; T203-L207 WeakPolarHBondContact O-CG 3.46Å; T203-L207 PolarHBondContact O-N 3.04Å; V204-L207 PolarHBondContact O-N 2.93Å; C205-L207 VanDerWaalsContact C-N 3.34Å; C205-L207 PolarHBondContact O-N 3.29Å; L207-C210 PolarHBondContact O-N 3.21Å; L207-G211 PolarHBondContact O-N 3.39Å; L207-A212 HydrophobicContact CB-CB 4.06Å; L207-A212 WeakPolarHBondContact O-CB 3.32Å; L207-A212 PolarHBondContact O-N 3.07Å |
| 208 | L | 95.7 | Very high | 93.1 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.1 | -43.4 | 177.6 | -69.3 | 171.3 | 0 | 0 | 0 | 111.7 | L192 V204 C205 C210 G211 A292 L293 F296 | L192-L208 HydrophobicContact CD1-CD2 4.2Å; L192-L208 HydrophobicContact CD1-CG 4.17Å; L192-L208 HydrophobicContact CD2-CD2 3.9Å; V204-L208 HydrophobicContact CG1-CD1 3.89Å; V204-L208 HydrophobicContact CG1-CG 4.5Å; V204-L208 VanDerWaalsContact O-CG 3.32Å; V204-L208 WeakPolarHBondContact O-CG 3.45Å; V204-L208 PolarHBondContact O-N 3.2Å; C205-L208 PolarHBondContact O-N 3.03Å; L208-C210 VanDerWaalsContact C-N 3.28Å; L208-C210 PolarHBondContact O-N 3.44Å; L208-G211 PolarHBondContact O-N 2.96Å; L208-A292 HydrophobicContact CD1-CB 4.32Å; L208-L293 HydrophobicContact CD1-CD2 4.1Å; L208-L293 HydrophobicContact CD2-CD2 4.08Å; L208-F296 VanDerWaalsContact C-CE1 3.41Å; L208-F296 HydrophobicContact CB-CD1 3.75Å; L208-F296 HydrophobicContact CB-CD2 3.81Å; L208-F296 HydrophobicContact CB-CE1 3.7Å; L208-F296 HydrophobicContact CB-CE2 3.74Å; L208-F296 HydrophobicContact CB-CG 3.79Å; L208-F296 HydrophobicContact CB-CZ 3.67Å; L208-F296 HydrophobicContact CD1-CB 4.38Å; L208-F296 HydrophobicContact CD1-CD2 3.77Å; L208-F296 HydrophobicContact CD1-CE2 4.18Å; L208-F296 HydrophobicContact CD1-CG 4.13Å; L208-F296 HydrophobicContact CD2-CB 4.05Å; L208-F296 HydrophobicContact CD2-CG 4.19Å; L208-F296 HydrophobicContact CG-CD2 4.28Å; L208-F296 HydrophobicContact CG-CG 4.25Å; L208-F296 VanDerWaalsContact O-CE1 3.31Å; L208-F296 WeakPolarHBondContact O-CE1 3.23Å |
| 209 | E | 94.7 | Very high | 93.1 | Very high | 141 Ų | 141 | 38.4 Ų | 38.4 | 66% | 0.659 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -60.6 | -36.7 | 173 | -72.9 | 174.2 | -172.6 | 0 | 0 | 112.3 | C205 L206 G211 F296 | C205-E209 WeakPolarHBondContact O-CG 3.05Å; C205-E209 PolarHBondContact O-N 3.44Å; L206-E209 PolarHBondContact O-N 3.36Å; E209-G211 PolarHBondContact O-N 3.35Å; E209-F296 HydrophobicContact CG-CZ 4.12Å |
| 210 | C | 93 | Very high | 92.7 | Very high | 24 Ų | 24 | 33.9 Ų | 33.9 | 16% | 0.162 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -0.6 | 175.1 | -68.8 | 0 | 0 | 0 | 0 | 113.8 | P174 S177 L206 L207 L208 | P174-C210 HydrophobicContact CB-CB 3.81Å; S177-C210 PolarHBondContact OG-O 3Å; S177-C210 VanDerWaalsContact OG-O 3.11Å; L206-C210 WeakPolarHBondContact O-CB 3.34Å; L206-C210 PolarHBondContact O-N 3.35Å; L206-C210 PolarHBondContact O-SG 3.24Å; L207-C210 PolarHBondContact O-N 3.21Å; L208-C210 VanDerWaalsContact C-N 3.28Å; L208-C210 PolarHBondContact O-N 3.44Å |
| 211 | G | 91.7 | Very high | 92 | Very high | 43 Ų | 43 | 39.6 Ų | 39.6 | 44% | 0.443 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90 | 19.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114.8 | L178 L207 L208 E209 K213 | L178-G211 WeakPolarHBondContact CD2-O 3.17Å; L207-G211 PolarHBondContact O-N 3.39Å; L208-G211 PolarHBondContact O-N 2.96Å; E209-G211 PolarHBondContact O-N 3.35Å; G211-K213 PolarHBondContact O-N 3.36Å |
| 212 | A | 94 | Very high | 91 | Very high | 10 Ų | 10 | 36.9 Ų | 36.9 | 8% | 0.083 | 20% | 0.198 | C | C | . | . | trans | -58.2 | 132.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | L192 L207 S214 | L192-A212 HydrophobicContact CB-CB 4.5Å; L192-A212 HydrophobicContact CD2-CB 4.47Å; L207-A212 HydrophobicContact CB-CB 4.06Å; L207-A212 WeakPolarHBondContact O-CB 3.32Å; L207-A212 PolarHBondContact O-N 3.07Å; A212-S214 PolarHBondContact O-N 3.28Å | ||
| 213 | K | 92.7 | Very high | 90.1 | Very high | 89 Ų | 89 | 34.7 Ų | 34.7 | 39% | 0.387 | 18% | 0.178 | S | C | . | . | trans | -71.7 | 114.1 | -179.8 | -65.7 | 179.6 | -178.6 | 177.6 | 0 | 110.8 | L178 G211 T215 Q216 | L178-K213 HydrophobicContact CD2-CG 4.34Å; G211-K213 PolarHBondContact O-N 3.36Å; K213-T215 PolarHBondContact O-N 3.36Å; K213-Q216 HydrophobicContact CB-CB 4.2Å; K213-Q216 WeakPolarHBondContact O-CB 3.33Å; K213-Q216 PolarHBondContact O-N 3.41Å | ||
| 214 | S | 91.8 | Very high | 88.9 | Confident | 14 Ų | 14 | 38.6 Ų | 38.6 | 10% | 0.098 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -19.1 | 172.3 | 57.7 | 0 | 0 | 0 | 0 | 113.4 | A212 P277 F296 | A212-S214 PolarHBondContact O-N 3.28Å; S214-P277 WeakPolarHBondContact O-CD 3.42Å; S214-P277 WeakPolarHBondContact O-CG 3.45Å; S214-F296 PolarHBondContact OG-O 3.06Å |
| 215 | T | 92.4 | Very high | 87.2 | Confident | 81 Ų | 81 | 39.3 Ų | 39.3 | 50% | 0.497 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 7.2 | 179 | 56.2 | 0 | 0 | 0 | 0 | 114.4 | K213 Y276 | K213-T215 PolarHBondContact O-N 3.36Å; T215-Y276 WeakPolarHBondContact O-CE1 3.31Å |
| 216 | Q | 93.4 | Very high | 85.1 | Confident | 19 Ų | 19 | 40.9 Ų | 40.9 | 9% | 0.089 | 21% | 0.209 | C | C | . | . | trans | -64 | 139.5 | -179.9 | -175.5 | 54.5 | 50.2 | 0 | 0 | 111.4 | L180 G188 H193 K213 P277 | L180-Q216 HydrophobicContact CD2-CG 3.62Å; G188-Q216 WeakPolarHBondContact O-CG 3.37Å; G188-Q216 PolarHBondContact O-NE2 3.45Å; H193-Q216 PolarHBondContact CE1-O 3.32Å; K213-Q216 HydrophobicContact CB-CB 4.2Å; K213-Q216 WeakPolarHBondContact O-CB 3.33Å; K213-Q216 PolarHBondContact O-N 3.41Å; Q216-P277 WeakPolarHBondContact O-CD 3.47Å | ||
| 217 | R | 91.9 | Very high | 82.6 | Confident | 37 Ų | 37 | 44.9 Ų | 44.9 | 14% | 0.14 | 23% | 0.225 | C | C | . | . | trans | -111.5 | 142 | -177.3 | -65.1 | 171.2 | 66.8 | -142.3 | 5.7 | 112.3 | G188 T219 E275 Y276 S305 | G188-R217 CarbonylContact C-O 3.48Å; G188-R217 VanDerWaalsContact CA-O 3.31Å; G188-R217 WeakPolarHBondContact CA-O 3.45Å; G188-R217 VanDerWaalsContact O-O 3.06Å; R217-T219 HydrophobicContact CB-CG2 4.09Å; R217-E275 WeakPolarHBondContact CA-O 3.23Å; R217-E275 HydrophobicContact CB-CB 4.38Å; R217-E275 IonicContact CZ-OE2 3.18Å; R217-E275 IonicContact NE-OE2 3.41Å; R217-E275 PolarHBondContact NE-OE2 3.43Å; R217-E275 IonicContact NH2-OE1 3.15Å; R217-E275 IonicContact NH2-OE2 3.51Å; R217-E275 PolarHBondContact NH2-OE2 3.16Å; R217-Y276 WeakPolarHBondContact CD-OH 3.26Å; R217-Y276 HydrophobicContact CG-CD1 3.87Å; R217-Y276 HydrophobicContact CG-CE1 3.42Å; R217-Y276 VanDerWaalsContact CG-CE1 3.42Å; R217-Y276 HydrophobicContact CG-CE2 4.18Å; R217-Y276 HydrophobicContact CG-CG 4.43Å; R217-S305 PolarHBondContact NH2-OG 3.13Å | ||
| 218 | T | 89.1 | Confident | 79.6 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -96 | 82.1 | 171.4 | 41.6 | 0 | 0 | 0 | 0 | 111.2 | Q189 F223 E275 F280 | Q189-T218 VanDerWaalsContact CA-CG2 3.43Å; Q189-T218 HydrophobicContact CB-CG2 3.75Å; Q189-T218 HydrophobicContact CG-CG2 3.98Å; T218-F223 HydrophobicContact CG2-CD2 4.35Å; T218-F223 HydrophobicContact CG2-CE1 4.28Å; T218-F223 HydrophobicContact CG2-CE2 3.86Å; T218-F223 HydrophobicContact CG2-CZ 3.82Å; T218-E275 PolarHBondContact N-O 3.44Å; T218-E275 VanDerWaalsContact OG1-CA 3.24Å; T218-E275 WeakPolarHBondContact OG1-CA 3.35Å; T218-E275 PolarHBondContact OG1-O 2.67Å; T218-F280 HydrophobicContact CG2-CZ 4.41Å | ||
| 219 | T | 85.3 | Confident | 76.5 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | trans | -93.4 | 1.5 | -176.2 | 51.6 | 0 | 0 | 0 | 0 | 114.1 | I129 F187 R217 W224 | I129-T219 VanDerWaalsContact O-CB 3.26Å; I129-T219 WeakPolarHBondContact O-CB 3.24Å; I129-T219 PolarHBondContact O-OG1 3.26Å; F187-T219 VanDerWaalsContact CD1-OG1 3.27Å; F187-T219 WeakPolarHBondContact CD1-OG1 3.32Å; F187-T219 PolarHBondContact O-N 3.01Å; R217-T219 HydrophobicContact CB-CG2 4.09Å; T219-W224 PolarHBondContact O-NE1 2.69Å | ||
| 220 | G | 81.8 | Confident | 73.2 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -55.1 | 151.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E184 E185 F187 F222 F223 | E184-G220 WeakPolarHBondContact O-CA 3.46Å; E185-G220 CarbonylContact O-C 3.58Å; E185-G220 VanDerWaalsContact O-CA 3.31Å; E185-G220 WeakPolarHBondContact O-CA 3.11Å; F187-G220 PolarHBondContact O-N 3.46Å; G220-F222 PolarHBondContact O-N 3.41Å; G220-F222 VanDerWaalsContact O-N 3.12Å; G220-F223 PolarHBondContact O-N 3.26Å |
| 221 | R | 77.1 | Confident | 70.1 | Confident | 150 Ų | 150 | 60.7 Ų | 60.7 | 57% | 0.566 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -60.5 | -25.5 | -175.5 | -170.8 | 175.1 | -180 | 170.3 | -1 | 113.7 | E184 E185 F223 W224 | E184-R221 PolarHBondContact O-N 3.33Å; E184-R221 IonicContact OE1-NH1 3.34Å; E184-R221 PolarHBondContact OE1-NH1 2.89Å; E184-R221 VanDerWaalsContact OE1-NH1 3.16Å; E185-R221 PolarHBondContact O-N 3.41Å; E185-R221 VanDerWaalsContact O-N 3.12Å; R221-F223 PolarHBondContact O-N 2.98Å; R221-W224 PolarHBondContact O-N 2.77Å |
| 222 | F | 72.4 | Confident | 67.1 | Low | 53 Ų | 53 | 69.3 Ų | 69.3 | 23% | 0.232 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -61.6 | -32.8 | 174.8 | 177.5 | -99.1 | 0 | 0 | 0 | 112.4 | Y50 E185 M186 G220 W224 L270 | Y50-F222 AromaticContact CD1-CE2 3.92Å; Y50-F222 HydrophobicContact CD1-CE2 3.92Å; Y50-F222 HydrophobicContact CE1-CD2 4.25Å; Y50-F222 AromaticContact CE1-CE2 3.61Å; Y50-F222 HydrophobicContact CE1-CE2 3.61Å; E185-F222 WeakPolarHBondContact O-CB 3.38Å; E185-F222 PolarHBondContact O-N 3.11Å; M186-F222 HydrophobicContact CE-CD1 4.01Å; M186-F222 HydrophobicContact CE-CE1 4.41Å; M186-F222 HydrophobicContact SD-CB 3.66Å; M186-F222 HydrophobicContact SD-CD1 3.69Å; M186-F222 HydrophobicContact SD-CD2 4.29Å; M186-F222 HydrophobicContact SD-CE1 4.43Å; M186-F222 HydrophobicContact SD-CG 3.61Å; G220-F222 PolarHBondContact O-N 3.41Å; G220-F222 VanDerWaalsContact O-N 3.12Å; F222-W224 VanDerWaalsContact C-N 3.29Å; F222-W224 PolarHBondContact O-N 3.26Å; F222-L270 HydrophobicContact CD2-CD2 4.33Å; F222-L270 HydrophobicContact CE2-CD2 3.58Å; F222-L270 HydrophobicContact CZ-CD2 4.09Å |
| 223 | F | 76 | Confident | 63.9 | Low | 9 Ų | 9 | 77.4 Ų | 77.4 | 4% | 0.039 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -85.5 | 1.1 | -177.4 | -56.7 | -74.5 | 0 | 0 | 0 | 113.2 | M186 Q189 T218 G220 R221 Y272 F280 | M186-F223 HydrophobicContact CE-CE2 4.18Å; M186-F223 HydrophobicContact CE-CZ 3.69Å; Q189-F223 HydrophobicContact CB-CE2 4.25Å; Q189-F223 HydrophobicContact CB-CZ 4.1Å; Q189-F223 HydrophobicContact CG-CZ 4.16Å; T218-F223 HydrophobicContact CG2-CD2 4.35Å; T218-F223 HydrophobicContact CG2-CE1 4.28Å; T218-F223 HydrophobicContact CG2-CE2 3.86Å; T218-F223 HydrophobicContact CG2-CZ 3.82Å; G220-F223 PolarHBondContact O-N 3.26Å; R221-F223 PolarHBondContact O-N 2.98Å; F223-Y272 WeakPolarHBondContact O-CD2 3.47Å; F223-F280 HydrophobicContact CD1-CZ 4.23Å; F223-F280 AromaticContact CE1-CZ 3.99Å; F223-F280 HydrophobicContact CE1-CZ 3.99Å |
| 224 | W | 69.9 | Low | 60.8 | Low | 81 Ų | 81 | 77.1 Ų | 77.1 | 31% | 0.307 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -81.1 | 145.9 | 176.9 | -71.3 | 15.1 | 0 | 0 | 0 | 111.9 | T128 T219 R221 F222 S226 | T128-W224 HydrophobicContact CG2-CH2 3.3Å; T128-W224 HydrophobicContact CG2-CZ2 3.63Å; T128-W224 HydrophobicContact CG2-CZ3 4.29Å; T219-W224 PolarHBondContact O-NE1 2.69Å; R221-W224 PolarHBondContact O-N 2.77Å; F222-W224 VanDerWaalsContact C-N 3.29Å; F222-W224 PolarHBondContact O-N 3.26Å; W224-S226 PolarHBondContact O-N 3.22Å |
| 225 | P | 60.9 | Low | 57.6 | Low | 16 Ų | 16 | 82.4 Ų | 82.4 | 10% | 0.104 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 121.9 | 165.5 | 25.3 | -29.4 | 0 | 0 | 0 | 109.6 | L258 F306 | P225-L258 HydrophobicContact CG-CD2 3.98Å; P225-F306 HydrophobicContact CG-CE1 4.16Å; P225-F306 HydrophobicContact CG-CE2 4.32Å; P225-F306 HydrophobicContact CG-CZ 3.9Å |
| 226 | S | 50.9 | Low | 54.4 | Low | 56 Ų | 56 | 84.8 Ų | 84.8 | 39% | 0.392 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 137.9 | -176.4 | -179.2 | 0 | 0 | 0 | 0 | 112.7 | W224 Y228 | W224-S226 PolarHBondContact O-N 3.22Å; S226-Y228 VanDerWaalsContact C-N 3.34Å; S226-Y228 PolarHBondContact OG-N 3.27Å; S226-Y228 VanDerWaalsContact OG-N 3.16Å |
| 227 | K | 42.7 | Very low | 51.2 | Low | 114 Ų | 114 | 93.3 Ų | 93.3 | 50% | 0.496 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -72.7 | -19.8 | 169.5 | -75.5 | -174.5 | 177.3 | 178.8 | 0 | 113.9 | H261 | K227-H261 PolarHBondContact O-CE1 3.17Å; K227-H261 VanDerWaalsContact O-CE1 3.27Å |
| 228 | Y | 34.8 | Very low | 47.9 | Very low | 191 Ų | 191 | 99.2 Ų | 99.2 | 75% | 0.749 | 49% | 0.485 | S | S | * | . | trans | -112.8 | 39.4 | -157.1 | -70.3 | -76.8 | 0 | 0 | 0 | 115.9 | S226 | S226-Y228 VanDerWaalsContact C-N 3.34Å; S226-Y228 PolarHBondContact OG-N 3.27Å; S226-Y228 VanDerWaalsContact OG-N 3.16Å | ||
| 229 | G | 29.4 | Very low | 44.9 | Very low | 26 Ų | 26 | 103 Ų | 103 | 27% | 0.268 | 52% | 0.517 | S | S | . | . | trans | -78.2 | -11.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 230 | T | 27 | Very low | 42.1 | Very low | 93 Ų | 93 | 110.7 Ų | 110.7 | 57% | 0.571 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | 21.5 | -168.8 | 53.3 | 0 | 0 | 0 | 0 | 115.8 | ||
| 231 | K | 26.6 | Very low | 39.5 | Very low | 191 Ų | 191 | 114.2 Ų | 114.2 | 83% | 0.83 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | -3.3 | 175.7 | -107 | -175 | -178.7 | -178.9 | 0 | 116.8 | ||
| 232 | Y | 27.9 | Very low | 37.1 | Very low | 223 Ų | 223 | 113.4 Ų | 113.4 | 88% | 0.875 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -110.3 | -16.6 | 179.2 | -112.3 | -88 | 0 | 0 | 0 | 116.3 | ||
| 233 | E | 28.6 | Very low | 35.1 | Very low | 180 Ų | 180 | 114.9 Ų | 114.9 | 84% | 0.841 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -144.6 | 70.3 | 176.4 | -70 | -174.9 | 168.3 | 0 | 0 | 112.5 | ||
| 234 | S | 26 | Very low | 32.7 | Very low | 84 Ų | 84 | 118.8 Ų | 118.8 | 59% | 0.587 | 64% | 0.639 | S | S | * | * | trans | -172.9 | 88.3 | 143.5 | 65 | 0 | 0 | 0 | 0 | 108.8 | N236 | S234-N236 PolarHBondContact O-N 2.56Š| ||
| 235 | S | 26 | Very low | 30.5 | Very low | 125 Ų | 125 | 119 Ų | 119 | 87% | 0.874 | 66% | 0.658 | S | S | * | * | trans | -68.5 | 28.4 | 163.2 | 49.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 236 | N | 24.3 | Very low | 28.8 | Very low | 130 Ų | 130 | 125.6 Ų | 125.6 | 70% | 0.695 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -119.8 | 113.6 | 174.7 | -74.4 | -7.2 | 0 | 0 | 0 | 108.6 | S234 I238 | S234-N236 PolarHBondContact O-N 2.56Å; N236-I238 PolarHBondContact O-N 2.79Å |
| 237 | E | 25.5 | Very low | 27.4 | Very low | 199 Ų | 199 | 131.5 Ų | 131.5 | 93% | 0.93 | 71% | 0.707 | S | S | * | * | trans | -45.2 | 101.6 | 170.1 | -61.9 | 167.4 | 160.2 | 0 | 0 | 110.8 | ||||
| 238 | I | 24.1 | Very low | 26.5 | Very low | 161 Ų | 161 | 128.6 Ų | 128.6 | 83% | 0.826 | 70% | 0.7 | S | S | * | * | trans | -114 | 98.8 | 150.9 | -59.2 | 179.4 | 0 | 0 | 0 | 104.8 | N236 | N236-I238 PolarHBondContact O-N 2.79Š| ||
| 239 | A | 25.6 | Very low | 26.1 | Very low | 80 Ų | 80 | 125.8 Ų | 125.8 | 66% | 0.661 | 71% | 0.709 | S | S | * | * | trans | -52.3 | 140.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S241 | A239-S241 PolarHBondContact O-N 3.47Š| ||
| 240 | D | 26.4 | Very low | 26 | Very low | 162 Ų | 162 | 129.4 Ų | 129.4 | 87% | 0.866 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | 56 | 174.6 | -70.2 | -52.4 | 0 | 0 | 0 | 113.8 | ||
| 241 | S | 27.9 | Very low | 26.1 | Very low | 74 Ų | 74 | 129.3 Ų | 129.3 | 52% | 0.517 | 73% | 0.725 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99 | -24.3 | 173.9 | 65.4 | 0 | 0 | 0 | 0 | 114.4 | A239 S244 | A239-S241 PolarHBondContact O-N 3.47Å; S241-S244 PolarHBondContact O-OG 2.65Å |
| 242 | D | 25.9 | Very low | 25.9 | Very low | 134 Ų | 134 | 130.7 Ų | 130.7 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -104.9 | -6.8 | -168.6 | -68.1 | 5.3 | 0 | 0 | 0 | 113.9 | S244 A245 | D242-S244 PolarHBondContact O-N 3.31Å; D242-A245 PolarHBondContact O-N 2.9Å |
| 243 | A | 31 | Very low | 26 | Very low | 84 Ų | 84 | 121.8 Ų | 121.8 | 69% | 0.694 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -13.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 244 | S | 26 | Very low | 26.2 | Very low | 90 Ų | 90 | 119 Ų | 119 | 63% | 0.629 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -7.4 | 175.5 | 49.1 | 0 | 0 | 0 | 0 | 114.8 | S241 D242 F246 | S241-S244 PolarHBondContact O-OG 2.65Å; D242-S244 PolarHBondContact O-N 3.31Å; S244-F246 PolarHBondContact O-N 3.04Å |
| 245 | A | 23.5 | Very low | 26.7 | Very low | 85 Ų | 85 | 119 Ų | 119 | 70% | 0.702 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -87.6 | 0.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | D242 | D242-A245 PolarHBondContact O-N 2.9Š|
| 246 | F | 24.8 | Very low | 27 | Very low | 156 Ų | 156 | 115.9 Ų | 115.9 | 68% | 0.684 | 67% | 0.669 | S | S | * | * | trans | -130.9 | 78.9 | 174.3 | -143.5 | -98 | 0 | 0 | 0 | 110.7 | S244 P248 | S244-F246 PolarHBondContact O-N 3.04Å; F246-P248 HydrophobicContact CD1-CG 3.87Å; F246-P248 HydrophobicContact CE1-CG 3.9Å; F246-P248 VanDerWaalsContact O-CD 3.31Å; F246-P248 WeakPolarHBondContact O-CD 3.39Å | ||
| 247 | Q | 21.6 | Very low | 27.4 | Very low | 179 Ų | 179 | 113.3 Ų | 113.3 | 84% | 0.836 | 66% | 0.659 | S | S | * | * | trans | -97.7 | 98.1 | 159.6 | -73.1 | -171.8 | -13.8 | 0 | 0 | 108.3 | S249 | Q247-S249 PolarHBondContact O-N 3.32Š| ||
| 248 | P | 24 | Very low | 28.1 | Very low | 54 Ų | 54 | 105.7 Ų | 105.7 | 35% | 0.351 | 63% | 0.625 | S | S | . | * | trans | -62.1 | 122 | 162.6 | -14 | 26.6 | 0 | 0 | 0 | 108 | F246 S250 L251 | F246-P248 HydrophobicContact CD1-CG 3.87Å; F246-P248 HydrophobicContact CE1-CG 3.9Å; F246-P248 VanDerWaalsContact O-CD 3.31Å; F246-P248 WeakPolarHBondContact O-CD 3.39Å; P248-S250 PolarHBondContact O-N 2.95Å; P248-L251 HydrophobicContact CB-CD1 4.46Å; P248-L251 HydrophobicContact CG-CD1 4.17Å; P248-L251 PolarHBondContact O-N 3.37Å | ||
| 249 | S | 26.2 | Very low | 28.8 | Very low | 132 Ų | 132 | 101 Ų | 101 | 92% | 0.923 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 12.7 | -172.5 | 51.4 | 0 | 0 | 0 | 0 | 115.8 | Q247 | Q247-S249 PolarHBondContact O-N 3.32Š|
| 250 | S | 26.6 | Very low | 29.3 | Very low | 101 Ų | 101 | 103.2 Ų | 103.2 | 71% | 0.706 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.1 | 3.8 | -176.3 | 51.3 | 0 | 0 | 0 | 0 | 114.9 | P248 K252 | P248-S250 PolarHBondContact O-N 2.95Å; S250-K252 VanDerWaalsContact C-N 3.26Å; S250-K252 PolarHBondContact O-N 3.41Å |
| 251 | L | 28.7 | Very low | 29.7 | Very low | 91 Ų | 91 | 98.6 Ų | 98.6 | 48% | 0.476 | 59% | 0.589 | S | S | . | * | trans | -73.6 | 75.8 | 170.4 | -88.2 | 137.5 | 0 | 0 | 0 | 111.5 | P248 G253 Y255 | P248-L251 HydrophobicContact CB-CD1 4.46Å; P248-L251 HydrophobicContact CG-CD1 4.17Å; P248-L251 PolarHBondContact O-N 3.37Å; L251-G253 PolarHBondContact O-N 3.45Å; L251-G253 VanDerWaalsContact O-N 3.13Å; L251-Y255 WeakPolarHBondContact CD2-O 3.34Å | ||
| 252 | K | 23.9 | Very low | 30.2 | Very low | 221 Ų | 221 | 96.8 Ų | 96.8 | 96% | 0.961 | 58% | 0.576 | S | S | * | * | trans | -81.1 | 67.9 | 159.8 | -76.6 | -174.8 | 178.4 | 177.7 | 0 | 109.2 | S250 | S250-K252 VanDerWaalsContact C-N 3.26Å; S250-K252 PolarHBondContact O-N 3.41Å | ||
| 253 | G | 29.1 | Very low | 30.8 | Very low | 35 Ų | 35 | 95.5 Ų | 95.5 | 36% | 0.361 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -167.9 | 153.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L251 Y255 | L251-G253 PolarHBondContact O-N 3.45Å; L251-G253 VanDerWaalsContact O-N 3.13Å; G253-Y255 PolarHBondContact O-N 3.49Å |
| 254 | P | 33.3 | Very low | 31 | Very low | 122 Ų | 122 | 95.7 Ų | 95.7 | 79% | 0.792 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -74.9 | 21.9 | -172.4 | 32.1 | -35.4 | 0 | 0 | 0 | 114.5 | ||
| 255 | Y | 35.4 | Very low | 31.6 | Very low | 83 Ų | 83 | 92 Ų | 92 | 33% | 0.325 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -99.1 | 123.4 | -174.7 | -54.5 | -72.5 | 0 | 0 | 0 | 111.1 | L251 G253 | L251-Y255 WeakPolarHBondContact CD2-O 3.34Å; G253-Y255 PolarHBondContact O-N 3.49Å |
| 256 | P | 33.4 | Very low | 32.3 | Very low | 60 Ų | 60 | 92.8 Ų | 92.8 | 39% | 0.39 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 158.6 | 175.4 | 29.7 | -30.7 | 0 | 0 | 0 | 112.7 | L258 | P256-L258 WeakPolarHBondContact O-CD1 3.37Å; P256-L258 PolarHBondContact O-N 3.16Å |
| 257 | P | 31.9 | Very low | 32.8 | Very low | 76 Ų | 76 | 91.7 Ų | 91.7 | 49% | 0.494 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 129.6 | -169.4 | 22.9 | -31.9 | 0 | 0 | 0 | 113.6 | ||
| 258 | L | 41 | Very low | 33.4 | Very low | 40 Ų | 40 | 88.8 Ų | 88.8 | 21% | 0.209 | 50% | 0.504 | C | S | . | . | trans | -103.7 | 5.5 | -158.9 | -87.4 | 123.9 | 0 | 0 | 0 | 116.5 | P225 P256 L260 H261 F306 I342 | P225-L258 HydrophobicContact CG-CD2 3.98Å; P256-L258 WeakPolarHBondContact O-CD1 3.37Å; P256-L258 PolarHBondContact O-N 3.16Å; L258-L260 VanDerWaalsContact C-N 3.3Å; L258-L260 PolarHBondContact O-N 3.33Å; L258-H261 PolarHBondContact O-N 3.08Å; L258-F306 HydrophobicContact CD1-CD1 3.99Å; L258-F306 HydrophobicContact CD1-CE1 4.26Å; L258-F306 HydrophobicContact CD2-CD1 3.81Å; L258-F306 HydrophobicContact CD2-CE1 3.77Å; L258-I342 HydrophobicContact CB-CD1 3.76Å; L258-I342 HydrophobicContact CB-CG1 4.23Å | ||
| 259 | G | 38 | Very low | 33.9 | Very low | 61 Ų | 61 | 89.5 Ų | 89.5 | 63% | 0.629 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -31.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 260 | L | 37.3 | Very low | 34.9 | Very low | 128 Ų | 128 | 86.3 Ų | 86.3 | 67% | 0.67 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | -15.1 | -175 | -152 | 72.8 | 0 | 0 | 0 | 113.6 | L258 F263 | L258-L260 VanDerWaalsContact C-N 3.3Å; L258-L260 PolarHBondContact O-N 3.33Å; L260-F263 WeakPolarHBondContact O-CB 3.42Å |
| 261 | H | 35 | Very low | 36.3 | Very low | 64 Ų | 64 | 83 Ų | 83 | 30% | 0.296 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -81.9 | -30.6 | -172.3 | -86.2 | -61.5 | 0 | 0 | 0 | 113.9 | K227 L258 F263 | K227-H261 PolarHBondContact O-CE1 3.17Å; K227-H261 VanDerWaalsContact O-CE1 3.27Å; L258-H261 PolarHBondContact O-N 3.08Å; H261-F263 PolarHBondContact O-N 2.7Å |
| 262 | C | 37.6 | Very low | 38.6 | Very low | 37 Ų | 37 | 79.4 Ų | 79.4 | 25% | 0.25 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -65.9 | -28.8 | 175.9 | -135.4 | 0 | 0 | 0 | 0 | 112.1 | Y264 | C262-Y264 PolarHBondContact O-N 3.46Å |
| 263 | F | 39.1 | Very low | 41.4 | Very low | 106 Ų | 106 | 70.3 Ų | 70.3 | 47% | 0.465 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.6 | -40 | -179.7 | -176.5 | -102.5 | 0 | 0 | 0 | 113.1 | L260 H261 | L260-F263 WeakPolarHBondContact O-CB 3.42Å; H261-F263 PolarHBondContact O-N 2.7Å |
| 264 | Y | 34.1 | Very low | 44 | Very low | 89 Ų | 89 | 68.8 Ų | 68.8 | 35% | 0.349 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -88.8 | -19.9 | -175 | -70.7 | -76.4 | 0 | 0 | 0 | 114.4 | C262 L266 L267 L268 | C262-Y264 PolarHBondContact O-N 3.46Å; Y264-L266 PolarHBondContact O-N 2.97Å; Y264-L267 PolarHBondContact O-N 3.49Å; Y264-L267 VanDerWaalsContact O-N 3.16Å; Y264-L268 PolarHBondContact O-N 2.99Å |
| 265 | A | 38.8 | Very low | 46.7 | Very low | 12 Ų | 12 | 63.2 Ų | 63.2 | 10% | 0.099 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.4 | -36 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L267 L268 | A265-L267 VanDerWaalsContact C-N 3.32Å; A265-L267 PolarHBondContact O-N 3.18Å; A265-L268 PolarHBondContact O-N 3.13Å |
| 266 | L | 38.1 | Very low | 49.5 | Very low | 102 Ų | 102 | 61.2 Ų | 61.2 | 53% | 0.534 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -66.6 | -31.5 | 176.4 | -158.5 | 84.2 | 0 | 0 | 0 | 112.7 | Y264 L268 | Y264-L266 PolarHBondContact O-N 2.97Å; L266-L268 VanDerWaalsContact C-N 3.33Å |
| 267 | L | 36.1 | Very low | 52.4 | Low | 133 Ų | 133 | 58.4 Ų | 58.4 | 70% | 0.696 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -75.4 | -21.8 | -178.8 | -140.1 | 95.5 | 0 | 0 | 0 | 112.9 | Y264 A265 | Y264-L267 PolarHBondContact O-N 3.49Å; Y264-L267 VanDerWaalsContact O-N 3.16Å; A265-L267 VanDerWaalsContact C-N 3.32Å; A265-L267 PolarHBondContact O-N 3.18Å |
| 268 | L | 34.6 | Very low | 55.5 | Low | 117 Ų | 117 | 54.9 Ų | 54.9 | 61% | 0.613 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -112.2 | 8.5 | -171.5 | -78.8 | 158 | 0 | 0 | 0 | 114.7 | Y264 A265 L266 | Y264-L268 PolarHBondContact O-N 2.99Å; A265-L268 PolarHBondContact O-N 3.13Å; L266-L268 VanDerWaalsContact C-N 3.33Å |
| 269 | G | 34.9 | Very low | 57.9 | Low | 69 Ų | 69 | 53.1 Ų | 53.1 | 71% | 0.711 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 27.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 270 | L | 45.7 | Very low | 60.5 | Low | 65 Ų | 65 | 50.3 Ų | 50.3 | 34% | 0.34 | 27% | 0.274 | S | S | . | . | trans | -110.1 | 135.1 | 169.6 | -75.5 | 165.9 | 0 | 0 | 0 | 110.6 | Y50 F222 | Y50-L270 HydrophobicContact CD1-CD2 4.36Å; Y50-L270 HydrophobicContact CE1-CD2 4.29Å; F222-L270 HydrophobicContact CD2-CD2 4.33Å; F222-L270 HydrophobicContact CE2-CD2 3.58Å; F222-L270 HydrophobicContact CZ-CD2 4.09Å | ||
| 271 | A | 57.5 | Low | 63.2 | Low | 33 Ų | 33 | 44.3 Ų | 44.3 | 27% | 0.273 | 24% | 0.242 | S | C | . | . | trans | -106.4 | 93.1 | -151.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F273 | A271-F273 HydrophobicContact CB-CD2 3.89Å; A271-F273 HydrophobicContact CB-CE1 4.03Å; A271-F273 HydrophobicContact CB-CE2 3.16Å; A271-F273 HydrophobicContact CB-CZ 3.27Å; A271-F273 WeakPolarHBondContact O-CD2 3.5Å | ||
| 272 | Y | 76.5 | Confident | 66 | Low | 15 Ų | 15 | 41.2 Ų | 41.2 | 6% | 0.059 | 23% | 0.228 | C | C | . | . | trans | -85 | 110.3 | 173.4 | 170.4 | -118.4 | 0 | 0 | 0 | 109.6 | F223 D304 F306 N308 M313 I316 H317 | F223-Y272 WeakPolarHBondContact O-CD2 3.47Å; Y272-D304 VanDerWaalsContact CZ-OD2 3.31Å; Y272-D304 PolarHBondContact OH-OD2 3.44Å; Y272-F306 AromaticContact CE2-CD2 3.71Å; Y272-F306 HydrophobicContact CE2-CD2 3.71Å; Y272-F306 AromaticContact CE2-CE2 3.86Å; Y272-F306 HydrophobicContact CE2-CE2 3.86Å; Y272-F306 AromaticContact CZ-CD2 3.8Å; Y272-F306 WeakPolarHBondContact OH-CD2 3.44Å; Y272-N308 PolarHBondContact OH-ND2 3.31Å; Y272-M313 HydrophobicContact CD1-CE 4.43Å; Y272-M313 HydrophobicContact CD1-SD 4.19Å; Y272-M313 HydrophobicContact CE1-CE 3.5Å; Y272-M313 HydrophobicContact CE1-SD 3.81Å; Y272-M313 WeakPolarHBondContact OH-CE 3.42Å; Y272-I316 HydrophobicContact CD1-CD1 4.3Å; Y272-I316 HydrophobicContact CE1-CD1 3.9Å; Y272-H317 PolarHBondContact O-CE1 2.87Å; Y272-H317 PolarHBondContact O-NE2 3.44Å | ||
| 273 | F | 82.9 | Confident | 68.4 | Low | 30 Ų | 30 | 40 Ų | 40 | 13% | 0.132 | 22% | 0.22 | C | C | . | . | trans | -115.9 | 12.1 | -171.7 | -62.1 | -60.3 | 0 | 0 | 0 | 114.8 | A271 A279 F280 F284 H317 | A271-F273 HydrophobicContact CB-CD2 3.89Å; A271-F273 HydrophobicContact CB-CE1 4.03Å; A271-F273 HydrophobicContact CB-CE2 3.16Å; A271-F273 HydrophobicContact CB-CZ 3.27Å; A271-F273 WeakPolarHBondContact O-CD2 3.5Å; F273-A279 CarbonylContact O-C 3.16Å; F273-A279 VanDerWaalsContact O-C 3.29Å; F273-A279 WeakPolarHBondContact O-CB 3.47Å; F273-F280 HydrophobicContact CB-CD1 4.03Å; F273-F280 HydrophobicContact CB-CD2 3.48Å; F273-F280 VanDerWaalsContact CB-CD2 3.48Å; F273-F280 HydrophobicContact CB-CE1 4.01Å; F273-F280 HydrophobicContact CB-CE2 3.48Å; F273-F280 VanDerWaalsContact CB-CE2 3.48Å; F273-F280 HydrophobicContact CB-CG 3.78Å; F273-F280 HydrophobicContact CB-CZ 3.75Å; F273-F280 AromaticContact CD2-CD1 3.94Å; F273-F280 HydrophobicContact CD2-CD1 3.94Å; F273-F280 AromaticContact CD2-CE1 3.52Å; F273-F280 HydrophobicContact CD2-CE1 3.52Å; F273-F280 HydrophobicContact CD2-CE2 4.43Å; F273-F280 AromaticContact CD2-CZ 3.81Å; F273-F280 HydrophobicContact CD2-CZ 3.81Å; F273-F280 HydrophobicContact CE2-CE1 4.28Å; F273-F280 HydrophobicContact CG-CD1 4.19Å; F273-F280 HydrophobicContact CG-CD2 4.47Å; F273-F280 HydrophobicContact CG-CE1 4.12Å; F273-F280 HydrophobicContact CG-CE2 4.43Å; F273-F280 HydrophobicContact CG-CG 4.37Å; F273-F280 HydrophobicContact CG-CZ 4.25Å; F273-F280 PolarHBondContact O-N 2.98Å; F273-F284 HydrophobicContact CE1-CE1 4.36Å; F273-F284 HydrophobicContact CE1-CE2 4.24Å; F273-F284 AromaticContact CE1-CZ 3.76Å; F273-F284 HydrophobicContact CE1-CZ 3.76Å; F273-F284 HydrophobicContact CE2-CZ 4.17Å; F273-F284 HydrophobicContact CZ-CE1 4.28Å; F273-F284 HydrophobicContact CZ-CE2 4.2Å; F273-F284 AromaticContact CZ-CZ 3.51Å; F273-F284 HydrophobicContact CZ-CZ 3.51Å; F273-H317 AromaticContact CD1-CE1 3.95Å; F273-H317 AromaticContact CD1-NE2 3.52Å; F273-H317 AromaticContact CE1-NE2 3.81Å | ||
| 274 | G | 84 | Confident | 70.8 | Confident | 3 Ų | 3 | 39.1 Ų | 39.1 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | trans | 79.6 | 33.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y276 A279 M313 | G274-Y276 PolarHBondContact O-N 2.89Å; G274-A279 WeakPolarHBondContact O-CB 3.44Å; G274-M313 VanDerWaalsContact CA-SD 3.55Å; G274-M313 PolarHBondContact N-SD 3.27Å | ||
| 275 | E | 89.5 | Confident | 73.5 | Confident | 5 Ų | 5 | 36.6 Ų | 36.6 | 2% | 0.023 | 22% | 0.217 | C | C | . | . | S | Bend | trans | 58 | -40.5 | 172 | -62.9 | -177.9 | 170.5 | 0 | 0 | 118.6 | H193 R217 T218 D304 S305 | H193-E275 PolarHBondContact NE2-O 3.31Å; H193-E275 VanDerWaalsContact NE2-O 3.11Å; R217-E275 WeakPolarHBondContact CA-O 3.23Å; R217-E275 HydrophobicContact CB-CB 4.38Å; R217-E275 IonicContact CZ-OE2 3.18Å; R217-E275 IonicContact NE-OE2 3.41Å; R217-E275 PolarHBondContact NE-OE2 3.43Å; R217-E275 IonicContact NH2-OE1 3.15Å; R217-E275 IonicContact NH2-OE2 3.51Å; R217-E275 PolarHBondContact NH2-OE2 3.16Å; T218-E275 PolarHBondContact N-O 3.44Å; T218-E275 VanDerWaalsContact OG1-CA 3.24Å; T218-E275 WeakPolarHBondContact OG1-CA 3.35Å; T218-E275 PolarHBondContact OG1-O 2.67Å; E275-D304 HydrophobicContact CB-CB 4.01Å; E275-D304 HydrophobicContact CG-CB 3.89Å; E275-D304 WeakPolarHBondContact OE2-CA 3.25Å; E275-D304 WeakPolarHBondContact OE2-CB 3.44Å; E275-S305 WeakPolarHBondContact OE1-CB 3.31Å; E275-S305 PolarHBondContact OE1-N 3.16Å; E275-S305 PolarHBondContact OE1-OG 3.48Å; E275-S305 PolarHBondContact OE2-N 3.41Å; E275-S305 PolarHBondContact OE2-OG 3.16Å |
| 276 | Y | 93.8 | Very high | 76 | Confident | 41 Ų | 41 | 37.2 Ų | 37.2 | 16% | 0.161 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -92.1 | 149.1 | -173.8 | -67.1 | -85.6 | 0 | 0 | 0 | 112.3 | T215 R217 G274 L278 A279 F280 A302 Q303 D304 | T215-Y276 WeakPolarHBondContact O-CE1 3.31Å; R217-Y276 WeakPolarHBondContact CD-OH 3.26Å; R217-Y276 HydrophobicContact CG-CD1 3.87Å; R217-Y276 HydrophobicContact CG-CE1 3.42Å; R217-Y276 VanDerWaalsContact CG-CE1 3.42Å; R217-Y276 HydrophobicContact CG-CE2 4.18Å; R217-Y276 HydrophobicContact CG-CG 4.43Å; G274-Y276 PolarHBondContact O-N 2.89Å; Y276-L278 PolarHBondContact O-N 2.74Å; Y276-A279 WeakPolarHBondContact O-CB 3.43Å; Y276-A279 PolarHBondContact O-N 3.08Å; Y276-F280 WeakPolarHBondContact O-CD2 3.39Å; Y276-F280 PolarHBondContact O-N 2.96Å; Y276-F280 VanDerWaalsContact O-N 3.13Å; Y276-A302 HydrophobicContact CD2-CB 4.35Å; Y276-A302 HydrophobicContact CE1-CB 4.24Å; Y276-A302 HydrophobicContact CE2-CB 4.03Å; Y276-Q303 WeakPolarHBondContact CE2-O 3.39Å; Y276-Q303 PolarHBondContact OH-O 3.09Å; Y276-D304 HydrophobicContact CE2-CB 4.44Å |
| 277 | P | 94.9 | Very high | 78.8 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -53.3 | -40.1 | 176.4 | -28.7 | 33.1 | 0 | 0 | 0 | 113.3 | L192 H193 I196 S214 Q216 A279 F280 A281 L293 | L192-P277 HydrophobicContact CD2-CB 3.89Å; L192-P277 HydrophobicContact CD2-CG 3.77Å; L192-P277 HydrophobicContact CG-CB 4.17Å; L192-P277 HydrophobicContact CG-CG 4.3Å; H193-P277 WeakPolarHBondContact NE2-CD 3.07Å; I196-P277 HydrophobicContact CD1-CB 3.61Å; S214-P277 WeakPolarHBondContact O-CD 3.42Å; S214-P277 WeakPolarHBondContact O-CG 3.45Å; Q216-P277 WeakPolarHBondContact O-CD 3.47Å; P277-A279 VanDerWaalsContact C-N 3.32Å; P277-A279 PolarHBondContact O-N 3.25Å; P277-F280 WeakPolarHBondContact O-CB 3.33Å; P277-F280 PolarHBondContact O-N 3.44Å; P277-A281 PolarHBondContact O-N 2.96Å; P277-L293 HydrophobicContact CB-CD1 4.18Å; P277-L293 HydrophobicContact CB-CD2 4Å |
| 278 | L | 95.6 | Very high | 81.6 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.6 | -37.2 | 179.2 | -170.9 | 67.9 | 0 | 0 | 0 | 112.1 | Y276 A281 A282 Y290 L293 I294 A298 P300 V310 | Y276-L278 PolarHBondContact O-N 2.74Å; L278-A281 PolarHBondContact O-N 3.44Å; L278-A282 WeakPolarHBondContact O-CB 3.34Å; L278-A282 PolarHBondContact O-N 3.04Å; L278-Y290 HydrophobicContact CD1-CD1 4.26Å; L278-Y290 HydrophobicContact CD1-CD2 3.59Å; L278-Y290 HydrophobicContact CD1-CE1 4.27Å; L278-Y290 HydrophobicContact CD1-CE2 3.64Å; L278-Y290 HydrophobicContact CD1-CG 3.92Å; L278-Y290 HydrophobicContact CG-CD2 4.28Å; L278-Y290 HydrophobicContact CG-CE2 3.94Å; L278-L293 HydrophobicContact CB-CD1 4.43Å; L278-L293 HydrophobicContact CD1-CB 3.82Å; L278-L293 HydrophobicContact CD1-CD1 4.23Å; L278-I294 HydrophobicContact CD1-CD1 3.93Å; L278-I294 HydrophobicContact CD1-CG1 4.13Å; L278-I294 HydrophobicContact CD2-CD1 3.66Å; L278-I294 HydrophobicContact CG-CD1 4.47Å; L278-A298 HydrophobicContact CB-CB 4.17Å; L278-A298 HydrophobicContact CD1-CB 4.33Å; L278-A298 HydrophobicContact CD2-CB 3.95Å; L278-A298 HydrophobicContact CG-CB 4.39Å; L278-P300 HydrophobicContact CD2-CB 4.06Å; L278-V310 HydrophobicContact CB-CG2 4.37Å; L278-V310 HydrophobicContact CD2-CG2 3.98Å; L278-V310 HydrophobicContact CG-CG2 4.03Å |
| 279 | A | 93 | Very high | 84.5 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 2% | 0.017 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.6 | -35.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F273 G274 Y276 P277 A282 S283 V310 M313 | F273-A279 CarbonylContact O-C 3.16Å; F273-A279 VanDerWaalsContact O-C 3.29Å; F273-A279 WeakPolarHBondContact O-CB 3.47Å; G274-A279 WeakPolarHBondContact O-CB 3.44Å; Y276-A279 WeakPolarHBondContact O-CB 3.43Å; Y276-A279 PolarHBondContact O-N 3.08Å; P277-A279 VanDerWaalsContact C-N 3.32Å; P277-A279 PolarHBondContact O-N 3.25Å; A279-A282 PolarHBondContact O-N 3.25Å; A279-S283 WeakPolarHBondContact O-CB 3.47Å; A279-S283 PolarHBondContact O-N 3.25Å; A279-S283 PolarHBondContact O-OG 3.27Å; A279-V310 HydrophobicContact CB-CG2 4.23Å; A279-M313 HydrophobicContact CB-CG 4.08Å |
| 280 | F | 91.8 | Very high | 87.4 | Confident | 3 Ų | 3 | 26.2 Ų | 26.2 | 1% | 0.013 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.9 | -51.6 | 170.2 | -82.1 | -122.4 | 0 | 0 | 0 | 110.7 | H193 I196 T218 F223 F273 Y276 P277 A282 S283 F284 | H193-F280 HydrophobicContact CB-CE1 4.49Å; H193-F280 AromaticContact CD2-CD2 3.92Å; H193-F280 AromaticContact CD2-CE2 3.74Å; H193-F280 AromaticContact CD2-CZ 3.93Å; I196-F280 HydrophobicContact CG2-CB 3.86Å; T218-F280 HydrophobicContact CG2-CZ 4.41Å; F223-F280 HydrophobicContact CD1-CZ 4.23Å; F223-F280 AromaticContact CE1-CZ 3.99Å; F223-F280 HydrophobicContact CE1-CZ 3.99Å; F273-F280 HydrophobicContact CB-CD1 4.03Å; F273-F280 HydrophobicContact CB-CD2 3.48Å; F273-F280 VanDerWaalsContact CB-CD2 3.48Å; F273-F280 HydrophobicContact CB-CE1 4.01Å; F273-F280 HydrophobicContact CB-CE2 3.48Å; F273-F280 VanDerWaalsContact CB-CE2 3.48Å; F273-F280 HydrophobicContact CB-CG 3.78Å; F273-F280 HydrophobicContact CB-CZ 3.75Å; F273-F280 AromaticContact CD2-CD1 3.94Å; F273-F280 HydrophobicContact CD2-CD1 3.94Å; F273-F280 AromaticContact CD2-CE1 3.52Å; F273-F280 HydrophobicContact CD2-CE1 3.52Å; F273-F280 HydrophobicContact CD2-CE2 4.43Å; F273-F280 AromaticContact CD2-CZ 3.81Å; F273-F280 HydrophobicContact CD2-CZ 3.81Å; F273-F280 HydrophobicContact CE2-CE1 4.28Å; F273-F280 HydrophobicContact CG-CD1 4.19Å; F273-F280 HydrophobicContact CG-CD2 4.47Å; F273-F280 HydrophobicContact CG-CE1 4.12Å; F273-F280 HydrophobicContact CG-CE2 4.43Å; F273-F280 HydrophobicContact CG-CG 4.37Å; F273-F280 HydrophobicContact CG-CZ 4.25Å; F273-F280 PolarHBondContact O-N 2.98Å; Y276-F280 WeakPolarHBondContact O-CD2 3.39Å; Y276-F280 PolarHBondContact O-N 2.96Å; Y276-F280 VanDerWaalsContact O-N 3.13Å; P277-F280 WeakPolarHBondContact O-CB 3.33Å; P277-F280 PolarHBondContact O-N 3.44Å; F280-A282 PolarHBondContact O-N 2.96Å; F280-S283 WeakPolarHBondContact O-CB 3.45Å; F280-S283 PolarHBondContact O-N 3.26Å; F280-S283 VanDerWaalsContact O-N 3.08Å; F280-F284 HydrophobicContact CD1-CE2 4.4Å; F280-F284 WeakPolarHBondContact O-CD2 3.15Å; F280-F284 PolarHBondContact O-N 3.4Å; F280-F284 VanDerWaalsContact O-N 3.09Å |
| 281 | A | 93.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56.3 | -40.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I196 P277 L278 F284 G285 N286 I289 L293 | I196-A281 HydrophobicContact CG2-CB 4.14Å; P277-A281 PolarHBondContact O-N 2.96Å; L278-A281 PolarHBondContact O-N 3.44Å; A281-F284 PolarHBondContact O-N 2.89Å; A281-G285 PolarHBondContact O-N 3.05Å; A281-N286 PolarHBondContact O-N 3.2Å; A281-I289 HydrophobicContact CB-CB 4.42Å; A281-I289 HydrophobicContact CB-CG2 3.65Å; A281-L293 HydrophobicContact CB-CD1 3.85Å |
| 282 | A | 93.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.3 | -38.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L278 A279 F280 F284 G285 Y290 V310 M322 | L278-A282 WeakPolarHBondContact O-CB 3.34Å; L278-A282 PolarHBondContact O-N 3.04Å; A279-A282 PolarHBondContact O-N 3.25Å; F280-A282 PolarHBondContact O-N 2.96Å; A282-F284 VanDerWaalsContact C-N 3.31Å; A282-F284 PolarHBondContact O-N 3.09Å; A282-G285 PolarHBondContact O-N 3.39Å; A282-G285 VanDerWaalsContact O-N 3.17Å; A282-Y290 HydrophobicContact CB-CD2 4.3Å; A282-Y290 HydrophobicContact CB-CE2 4.23Å; A282-V310 HydrophobicContact CB-CG1 3.35Å; A282-M322 HydrophobicContact CB-CG 3.74Å; A282-M322 HydrophobicContact CB-SD 4.43Å; A282-M322 WeakPolarHBondContact O-CG 3.08Å |
| 283 | S | 89.6 | Confident | 92.6 | Very high | 11 Ų | 11 | 23.1 Ų | 23.1 | 8% | 0.077 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.2 | -37.8 | 176.7 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | A279 F280 H317 S319 | A279-S283 WeakPolarHBondContact O-CB 3.47Å; A279-S283 PolarHBondContact O-N 3.25Å; A279-S283 PolarHBondContact O-OG 3.27Å; F280-S283 WeakPolarHBondContact O-CB 3.45Å; F280-S283 PolarHBondContact O-N 3.26Å; F280-S283 VanDerWaalsContact O-N 3.08Å; S283-H317 PolarHBondContact OG-CE1 3.11Å; S283-H317 VanDerWaalsContact OG-CE1 3.27Å; S283-H317 PolarHBondContact OG-ND1 3.03Å; S283-S319 PolarHBondContact O-OG 3.32Å |
| 284 | F | 88.3 | Confident | 93.2 | Very high | 88 Ų | 88 | 22.2 Ų | 22.2 | 39% | 0.386 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -83.1 | -10.6 | 175.3 | -66.2 | -67.7 | 0 | 0 | 0 | 114.3 | I196 L197 F273 F280 A281 A282 N286 | I196-F284 HydrophobicContact CG2-CD2 4.4Å; L197-F284 HydrophobicContact CD1-CE1 4.2Å; L197-F284 HydrophobicContact CD1-CE2 3.96Å; L197-F284 HydrophobicContact CD1-CZ 3.38Å; F273-F284 HydrophobicContact CE1-CE1 4.36Å; F273-F284 HydrophobicContact CE1-CE2 4.24Å; F273-F284 AromaticContact CE1-CZ 3.76Å; F273-F284 HydrophobicContact CE1-CZ 3.76Å; F273-F284 HydrophobicContact CE2-CZ 4.17Å; F273-F284 HydrophobicContact CZ-CE1 4.28Å; F273-F284 HydrophobicContact CZ-CE2 4.2Å; F273-F284 AromaticContact CZ-CZ 3.51Å; F273-F284 HydrophobicContact CZ-CZ 3.51Å; F280-F284 HydrophobicContact CD1-CE2 4.4Å; F280-F284 WeakPolarHBondContact O-CD2 3.15Å; F280-F284 PolarHBondContact O-N 3.4Å; F280-F284 VanDerWaalsContact O-N 3.09Å; A281-F284 PolarHBondContact O-N 2.89Å; A282-F284 VanDerWaalsContact C-N 3.31Å; A282-F284 PolarHBondContact O-N 3.09Å; F284-N286 VanDerWaalsContact C-N 3.34Å; F284-N286 PolarHBondContact O-N 3.01Å |
| 285 | G | 90.8 | Very high | 93.7 | Very high | 35 Ų | 35 | 27.1 Ų | 27.1 | 36% | 0.361 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 18.9 | 176 | 0 | 0 | 0 | 0 | 0 | 115.4 | A281 A282 | A281-G285 PolarHBondContact O-N 3.05Å; A282-G285 PolarHBondContact O-N 3.39Å; A282-G285 VanDerWaalsContact O-N 3.17Å |
| 286 | N | 92.5 | Very high | 93.9 | Very high | 25 Ų | 25 | 31.4 Ų | 31.4 | 13% | 0.134 | 16% | 0.163 | C | C | . | . | trans | -85.4 | 114 | 175.8 | -173.3 | -20.1 | 0 | 0 | 0 | 111.2 | N199 A281 F284 D288 I289 Y290 M322 | N199-N286 PolarHBondContact OD1-ND2 3.42Å; A281-N286 PolarHBondContact O-N 3.2Å; F284-N286 VanDerWaalsContact C-N 3.34Å; F284-N286 PolarHBondContact O-N 3.01Å; N286-D288 PolarHBondContact OD1-N 3.45Å; N286-I289 HydrophobicContact CB-CB 4.25Å; N286-I289 HydrophobicContact CB-CD1 4.25Å; N286-I289 HydrophobicContact CB-CG1 4.41Å; N286-I289 VanDerWaalsContact ND2-CD1 3.25Å; N286-I289 WeakPolarHBondContact ND2-CD1 3.4Å; N286-I289 WeakPolarHBondContact ND2-CG1 3.27Å; N286-I289 PolarHBondContact OD1-N 3.22Å; N286-Y290 WeakPolarHBondContact O-CB 3.44Å; N286-Y290 PolarHBondContact O-N 3.17Å; N286-M322 VanDerWaalsContact C-CE 3.47Å; N286-M322 WeakPolarHBondContact O-CE 3.09Å | ||
| 287 | K | 95 | Very high | 93.9 | Very high | 90 Ų | 90 | 32 Ų | 32 | 39% | 0.391 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -74.4 | -38.8 | -179 | -60.5 | 178.1 | -177.3 | 179.2 | 0 | 113.1 | I289 Y290 D291 M322 Y325 | K287-I289 PolarHBondContact O-N 3.44Å; K287-Y290 WeakPolarHBondContact O-CA 3.38Å; K287-Y290 VanDerWaalsContact O-CB 3.29Å; K287-Y290 WeakPolarHBondContact O-CB 3.29Å; K287-Y290 PolarHBondContact O-N 3.46Å; K287-Y290 VanDerWaalsContact O-N 3.12Å; K287-D291 VanDerWaalsContact O-CG 3.26Å; K287-D291 PolarHBondContact O-N 2.87Å; K287-M322 HydrophobicContact CG-CE 4.09Å; K287-Y325 HydrophobicContact CB-CD1 4.25Å; K287-Y325 HydrophobicContact CB-CE1 3.95Å; K287-Y325 HydrophobicContact CD-CD1 4.38Å; K287-Y325 HydrophobicContact CD-CD2 3.85Å; K287-Y325 HydrophobicContact CD-CE2 4.07Å; K287-Y325 HydrophobicContact CD-CG 4.02Å; K287-Y325 HydrophobicContact CG-CD1 3.95Å; K287-Y325 HydrophobicContact CG-CD2 4.32Å; K287-Y325 HydrophobicContact CG-CE1 4.15Å; K287-Y325 HydrophobicContact CG-CG 4.04Å |
| 288 | D | 95.4 | Very high | 93.9 | Very high | 100 Ų | 100 | 32 Ų | 32 | 54% | 0.535 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.8 | -42.7 | -177.9 | -53.6 | -36.1 | 0 | 0 | 0 | 110.7 | Y201 N286 Y290 D291 A292 | Y201-D288 HydrophobicContact CD2-CB 3.89Å; Y201-D288 HydrophobicContact CE2-CB 3.84Å; Y201-D288 WeakPolarHBondContact CE2-O 3.41Å; N286-D288 PolarHBondContact OD1-N 3.45Å; D288-Y290 VanDerWaalsContact C-N 3.32Å; D288-D291 PolarHBondContact O-N 3.12Å; D288-A292 WeakPolarHBondContact O-CB 3.48Å; D288-A292 PolarHBondContact O-N 3.34Å |
| 289 | I | 96 | Very high | 93.8 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.5 | -38.7 | 173.5 | -68.8 | 177.5 | 0 | 0 | 0 | 110.7 | I196 Y201 V204 A281 N286 K287 L293 | I196-I289 HydrophobicContact CD1-CG2 4.4Å; I196-I289 HydrophobicContact CG1-CG2 3.87Å; I196-I289 HydrophobicContact CG2-CG2 4.32Å; Y201-I289 HydrophobicContact CD2-CG1 3.98Å; V204-I289 HydrophobicContact CG1-CG2 4.34Å; V204-I289 HydrophobicContact CG2-CD1 4.4Å; A281-I289 HydrophobicContact CB-CB 4.42Å; A281-I289 HydrophobicContact CB-CG2 3.65Å; N286-I289 HydrophobicContact CB-CB 4.25Å; N286-I289 HydrophobicContact CB-CD1 4.25Å; N286-I289 HydrophobicContact CB-CG1 4.41Å; N286-I289 VanDerWaalsContact ND2-CD1 3.25Å; N286-I289 WeakPolarHBondContact ND2-CD1 3.4Å; N286-I289 WeakPolarHBondContact ND2-CG1 3.27Å; N286-I289 PolarHBondContact OD1-N 3.22Å; K287-I289 PolarHBondContact O-N 3.44Å; I289-L293 HydrophobicContact CG2-CD1 3.98Å; I289-L293 VanDerWaalsContact O-CG 3.27Å; I289-L293 WeakPolarHBondContact O-CG 3.35Å; I289-L293 PolarHBondContact O-N 3.28Å |
| 290 | Y | 96.2 | Very high | 94 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.8 | -49.5 | 176.8 | -171.3 | -80.9 | 0 | 0 | 0 | 111 | L278 A282 N286 K287 D288 L293 I294 V310 M322 Y325 A326 H329 | L278-Y290 HydrophobicContact CD1-CD1 4.26Å; L278-Y290 HydrophobicContact CD1-CD2 3.59Å; L278-Y290 HydrophobicContact CD1-CE1 4.27Å; L278-Y290 HydrophobicContact CD1-CE2 3.64Å; L278-Y290 HydrophobicContact CD1-CG 3.92Å; L278-Y290 HydrophobicContact CG-CD2 4.28Å; L278-Y290 HydrophobicContact CG-CE2 3.94Å; A282-Y290 HydrophobicContact CB-CD2 4.3Å; A282-Y290 HydrophobicContact CB-CE2 4.23Å; N286-Y290 WeakPolarHBondContact O-CB 3.44Å; N286-Y290 PolarHBondContact O-N 3.17Å; K287-Y290 WeakPolarHBondContact O-CA 3.38Å; K287-Y290 VanDerWaalsContact O-CB 3.29Å; K287-Y290 WeakPolarHBondContact O-CB 3.29Å; K287-Y290 PolarHBondContact O-N 3.46Å; K287-Y290 VanDerWaalsContact O-N 3.12Å; D288-Y290 VanDerWaalsContact C-N 3.32Å; Y290-L293 PolarHBondContact O-N 3.02Å; Y290-I294 HydrophobicContact CD1-CG1 3.92Å; Y290-I294 HydrophobicContact CE1-CD1 4.04Å; Y290-I294 HydrophobicContact CE1-CG1 3.67Å; Y290-I294 WeakPolarHBondContact O-CG1 3.46Å; Y290-I294 PolarHBondContact O-N 2.91Å; Y290-V310 HydrophobicContact CE2-CG1 3.96Å; Y290-M322 HydrophobicContact CD2-CE 4.37Å; Y290-M322 HydrophobicContact CD2-SD 3.7Å; Y290-M322 HydrophobicContact CE2-SD 4.11Å; Y290-M322 HydrophobicContact CG-SD 4.12Å; Y290-Y325 HydrophobicContact CD1-CD1 4.29Å; Y290-Y325 HydrophobicContact CD1-CE1 4.06Å; Y290-A326 HydrophobicContact CE2-CB 4.28Å; Y290-A326 WeakPolarHBondContact OH-CB 3.49Å; Y290-H329 AromaticContact CD1-CD2 3.87Å; Y290-H329 AromaticContact CE1-CD2 3.65Å |
| 291 | D | 95.8 | Very high | 94.2 | Very high | 40 Ų | 40 | 37.2 Ų | 37.2 | 21% | 0.214 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61 | -47.6 | 178.8 | -65.7 | -12 | 0 | 0 | 0 | 111.4 | K287 D288 L293 I294 D295 Y325 H329 | K287-D291 VanDerWaalsContact O-CG 3.26Å; K287-D291 PolarHBondContact O-N 2.87Å; D288-D291 PolarHBondContact O-N 3.12Å; D291-L293 PolarHBondContact O-N 2.94Å; D291-I294 PolarHBondContact O-N 3.13Å; D291-I294 VanDerWaalsContact O-N 3.09Å; D291-D295 PolarHBondContact O-N 3.49Å; D291-Y325 WeakPolarHBondContact OD1-CE1 3.47Å; D291-Y325 VanDerWaalsContact OD1-CZ 3.28Å; D291-Y325 PolarHBondContact OD1-OH 3.47Å; D291-Y325 PolarHBondContact OD2-OH 2.99Å; D291-H329 IonicContact OD1-CD2 2.97Å; D291-H329 IonicContact OD1-NE2 2.93Å; D291-H329 PolarHBondContact OD1-NE2 3.38Å; D291-H329 VanDerWaalsContact OD1-NE2 3.14Å |
| 292 | A | 95.3 | Very high | 94.2 | Very high | 8 Ų | 8 | 38.2 Ų | 38.2 | 7% | 0.066 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.5 | -40.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y201 L208 D288 F296 | Y201-A292 HydrophobicContact CE2-CB 4.12Å; L208-A292 HydrophobicContact CD1-CB 4.32Å; D288-A292 WeakPolarHBondContact O-CB 3.48Å; D288-A292 PolarHBondContact O-N 3.34Å; A292-F296 VanDerWaalsContact O-CD2 3.23Å; A292-F296 WeakPolarHBondContact O-CD2 3.15Å; A292-F296 PolarHBondContact O-N 2.95Å |
| 293 | L | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.3 | -40.5 | 177.2 | -70.7 | 167.4 | 0 | 0 | 0 | 112.5 | L192 I196 L208 P277 L278 A281 I289 Y290 D291 F296 G297 A298 | L192-L293 HydrophobicContact CD1-CD2 4.35Å; L192-L293 HydrophobicContact CD2-CD2 3.98Å; L192-L293 HydrophobicContact CG-CD2 4.47Å; I196-L293 HydrophobicContact CD1-CD1 3.86Å; I196-L293 HydrophobicContact CD1-CD2 4.47Å; L208-L293 HydrophobicContact CD1-CD2 4.1Å; L208-L293 HydrophobicContact CD2-CD2 4.08Å; P277-L293 HydrophobicContact CB-CD1 4.18Å; P277-L293 HydrophobicContact CB-CD2 4Å; L278-L293 HydrophobicContact CB-CD1 4.43Å; L278-L293 HydrophobicContact CD1-CB 3.82Å; L278-L293 HydrophobicContact CD1-CD1 4.23Å; A281-L293 HydrophobicContact CB-CD1 3.85Å; I289-L293 HydrophobicContact CG2-CD1 3.98Å; I289-L293 VanDerWaalsContact O-CG 3.27Å; I289-L293 WeakPolarHBondContact O-CG 3.35Å; I289-L293 PolarHBondContact O-N 3.28Å; Y290-L293 PolarHBondContact O-N 3.02Å; D291-L293 PolarHBondContact O-N 2.94Å; L293-F296 CarbonylContact O-C 3.41Å; L293-F296 PolarHBondContact O-N 3.36Å; L293-G297 PolarHBondContact O-N 3.01Å; L293-A298 HydrophobicContact CB-CB 4.01Å; L293-A298 WeakPolarHBondContact O-CB 3.49Å; L293-A298 PolarHBondContact O-N 3.44Å |
| 294 | I | 95.9 | Very high | 94.1 | Very high | 10 Ų | 10 | 42.1 Ų | 42.1 | 5% | 0.051 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63 | -43.2 | 176.4 | -65.5 | -62.3 | 0 | 0 | 0 | 110.9 | L278 Y290 D291 F296 G297 A298 P300 N331 Q332 | L278-I294 HydrophobicContact CD1-CD1 3.93Å; L278-I294 HydrophobicContact CD1-CG1 4.13Å; L278-I294 HydrophobicContact CD2-CD1 3.66Å; L278-I294 HydrophobicContact CG-CD1 4.47Å; Y290-I294 HydrophobicContact CD1-CG1 3.92Å; Y290-I294 HydrophobicContact CE1-CD1 4.04Å; Y290-I294 HydrophobicContact CE1-CG1 3.67Å; Y290-I294 WeakPolarHBondContact O-CG1 3.46Å; Y290-I294 PolarHBondContact O-N 2.91Å; D291-I294 PolarHBondContact O-N 3.13Å; D291-I294 VanDerWaalsContact O-N 3.09Å; I294-F296 PolarHBondContact O-N 2.93Å; I294-G297 WeakPolarHBondContact O-CA 3.29Å; I294-G297 PolarHBondContact O-N 2.85Å; I294-A298 VanDerWaalsContact CD1-O 3.25Å; I294-A298 WeakPolarHBondContact CD1-O 3.42Å; I294-P300 HydrophobicContact CD1-CG 4.41Å; I294-N331 HydrophobicContact CG2-CB 4.39Å; I294-Q332 HydrophobicContact CG2-CB 4.21Å |
| 295 | D | 94.3 | Very high | 94 | Very high | 107 Ų | 107 | 39.4 Ų | 39.4 | 57% | 0.572 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -62.3 | -30.1 | 178.9 | -72.3 | -16.8 | 0 | 0 | 0 | 112.1 | D291 G297 N331 | D291-D295 PolarHBondContact O-N 3.49Å; D295-G297 VanDerWaalsContact C-N 3.27Å; D295-G297 PolarHBondContact O-N 3.37Å; D295-N331 PolarHBondContact OD1-ND2 3.02Å |
| 296 | F | 94.2 | Very high | 93.6 | Very high | 94 Ų | 94 | 38.9 Ų | 38.9 | 41% | 0.412 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 22.8 | 171.4 | -77.2 | -96.5 | 0 | 0 | 0 | 113.5 | L208 E209 S214 A292 L293 I294 | L208-F296 VanDerWaalsContact C-CE1 3.41Å; L208-F296 HydrophobicContact CB-CD1 3.75Å; L208-F296 HydrophobicContact CB-CD2 3.81Å; L208-F296 HydrophobicContact CB-CE1 3.7Å; L208-F296 HydrophobicContact CB-CE2 3.74Å; L208-F296 HydrophobicContact CB-CG 3.79Å; L208-F296 HydrophobicContact CB-CZ 3.67Å; L208-F296 HydrophobicContact CD1-CB 4.38Å; L208-F296 HydrophobicContact CD1-CD2 3.77Å; L208-F296 HydrophobicContact CD1-CE2 4.18Å; L208-F296 HydrophobicContact CD1-CG 4.13Å; L208-F296 HydrophobicContact CD2-CB 4.05Å; L208-F296 HydrophobicContact CD2-CG 4.19Å; L208-F296 HydrophobicContact CG-CD2 4.28Å; L208-F296 HydrophobicContact CG-CG 4.25Å; L208-F296 VanDerWaalsContact O-CE1 3.31Å; L208-F296 WeakPolarHBondContact O-CE1 3.23Å; E209-F296 HydrophobicContact CG-CZ 4.12Å; S214-F296 PolarHBondContact OG-O 3.06Å; A292-F296 VanDerWaalsContact O-CD2 3.23Å; A292-F296 WeakPolarHBondContact O-CD2 3.15Å; A292-F296 PolarHBondContact O-N 2.95Å; L293-F296 CarbonylContact O-C 3.41Å; L293-F296 PolarHBondContact O-N 3.36Å; I294-F296 PolarHBondContact O-N 2.93Å |
| 297 | G | 92.9 | Very high | 93.4 | Very high | 53 Ų | 53 | 38.2 Ų | 38.2 | 55% | 0.546 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 19.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | L293 I294 D295 | L293-G297 PolarHBondContact O-N 3.01Å; I294-G297 WeakPolarHBondContact O-CA 3.29Å; I294-G297 PolarHBondContact O-N 2.85Å; D295-G297 VanDerWaalsContact C-N 3.27Å; D295-G297 PolarHBondContact O-N 3.37Å |
| 298 | A | 95 | Very high | 93.2 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 2% | 0.017 | 20% | 0.198 | C | C | . | . | trans | -66.5 | 133.7 | 171 | 0 | 0 | 0 | 0 | 0 | 110.8 | L278 L293 I294 Q332 | L278-A298 HydrophobicContact CB-CB 4.17Å; L278-A298 HydrophobicContact CD1-CB 4.33Å; L278-A298 HydrophobicContact CD2-CB 3.95Å; L278-A298 HydrophobicContact CG-CB 4.39Å; L293-A298 HydrophobicContact CB-CB 4.01Å; L293-A298 WeakPolarHBondContact O-CB 3.49Å; L293-A298 PolarHBondContact O-N 3.44Å; I294-A298 VanDerWaalsContact CD1-O 3.25Å; I294-A298 WeakPolarHBondContact CD1-O 3.42Å; A298-Q332 PolarHBondContact O-OE1 3.19Å | ||
| 299 | N | 95.4 | Very high | 93.2 | Very high | 69 Ų | 69 | 29.8 Ų | 29.8 | 37% | 0.369 | 17% | 0.173 | S | C | . | . | trans | -97.5 | 119.6 | 178.3 | -178.8 | 3.2 | 0 | 0 | 0 | 110.6 | N301 A302 Q332 | N299-N301 PolarHBondContact O-N 2.79Å; N299-N301 WeakPolarHBondContact OD1-CB 3.38Å; N299-N301 PolarHBondContact OD1-N 2.45Å; N299-A302 HydrophobicContact CB-CB 4.39Å; N299-A302 VanDerWaalsContact O-CB 3.31Å; N299-A302 WeakPolarHBondContact O-CB 3.43Å; N299-A302 PolarHBondContact O-N 2.77Å; N299-A302 VanDerWaalsContact O-N 3.16Å; N299-Q332 PolarHBondContact OD1-NE2 3.15Å | ||
| 300 | P | 95.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -20.2 | 177.4 | 28.1 | -35 | 0 | 0 | 0 | 113.9 | L278 I294 A302 V310 Q332 A334 | L278-P300 HydrophobicContact CD2-CB 4.06Å; I294-P300 HydrophobicContact CD1-CG 4.41Å; P300-A302 VanDerWaalsContact C-N 3.35Å; P300-V310 WeakPolarHBondContact O-CG2 3.35Å; P300-Q332 VanDerWaalsContact CD-CD 3.44Å; P300-Q332 HydrophobicContact CG-CG 3.92Å; P300-A334 HydrophobicContact CB-CB 3.89Å; P300-A334 HydrophobicContact CG-CB 4.35Å |
| 301 | N | 95.7 | Very high | 93.2 | Very high | 47 Ų | 47 | 30 Ų | 30 | 25% | 0.251 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 4.4 | 178.9 | -57.6 | -30.7 | 0 | 0 | 0 | 112.6 | N299 Q303 D335 | N299-N301 PolarHBondContact O-N 2.79Å; N299-N301 WeakPolarHBondContact OD1-CB 3.38Å; N299-N301 PolarHBondContact OD1-N 2.45Å; N301-Q303 PolarHBondContact O-N 3.4Å; N301-D335 PolarHBondContact OD1-N 2.99Å |
| 302 | A | 94.5 | Very high | 93.1 | Very high | 23 Ų | 23 | 28.1 Ų | 28.1 | 19% | 0.19 | 16% | 0.164 | C | C | . | . | trans | -61.5 | 131.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y276 N299 P300 | Y276-A302 HydrophobicContact CD2-CB 4.35Å; Y276-A302 HydrophobicContact CE1-CB 4.24Å; Y276-A302 HydrophobicContact CE2-CB 4.03Å; N299-A302 HydrophobicContact CB-CB 4.39Å; N299-A302 VanDerWaalsContact O-CB 3.31Å; N299-A302 WeakPolarHBondContact O-CB 3.43Å; N299-A302 PolarHBondContact O-N 2.77Å; N299-A302 VanDerWaalsContact O-N 3.16Å; P300-A302 VanDerWaalsContact C-N 3.35Å | ||
| 303 | Q | 93 | Very high | 92.8 | Very high | 84 Ų | 84 | 27.7 Ų | 27.7 | 39% | 0.393 | 16% | 0.161 | S | C | . | . | trans | -100.4 | 132.6 | -179.4 | -68.6 | -173.5 | -61 | 0 | 0 | 110.3 | Y276 N301 G307 N308 T309 V338 V339 | Y276-Q303 WeakPolarHBondContact CE2-O 3.39Å; Y276-Q303 PolarHBondContact OH-O 3.09Å; N301-Q303 PolarHBondContact O-N 3.4Å; Q303-G307 PolarHBondContact NE2-O 2.97Å; Q303-N308 WeakPolarHBondContact CA-O 3.45Å; Q303-T309 HydrophobicContact CG-CG2 3.95Å; Q303-V338 HydrophobicContact CG-CG1 4.1Å; Q303-V338 VanDerWaalsContact NE2-CG1 3.31Å; Q303-V339 PolarHBondContact NE2-O 2.96Å | ||
| 304 | D | 88.1 | Confident | 92.7 | Very high | 8 Ų | 8 | 27.7 Ų | 27.7 | 4% | 0.043 | 16% | 0.161 | C | C | . | . | trans | -74.8 | -175.7 | 173.7 | 75.3 | -1.7 | 0 | 0 | 0 | 112.6 | Y272 E275 Y276 F306 G307 N308 | Y272-D304 VanDerWaalsContact CZ-OD2 3.31Å; Y272-D304 PolarHBondContact OH-OD2 3.44Å; E275-D304 HydrophobicContact CB-CB 4.01Å; E275-D304 HydrophobicContact CG-CB 3.89Å; E275-D304 WeakPolarHBondContact OE2-CA 3.25Å; E275-D304 WeakPolarHBondContact OE2-CB 3.44Å; Y276-D304 HydrophobicContact CE2-CB 4.44Å; D304-F306 PolarHBondContact O-N 3.03Å; D304-F306 VanDerWaalsContact OD1-C 3.3Å; D304-F306 VanDerWaalsContact OD1-CA 3.29Å; D304-F306 WeakPolarHBondContact OD1-CA 3.38Å; D304-F306 WeakPolarHBondContact OD1-CB 3.37Å; D304-F306 PolarHBondContact OD1-N 3.26Å; D304-G307 PolarHBondContact O-N 3.25Å; D304-G307 PolarHBondContact OD1-N 3.29Å; D304-N308 PolarHBondContact N-O 3.23Å; D304-N308 WeakPolarHBondContact OD1-CB 3.25Å; D304-N308 PolarHBondContact OD1-N 3.42Å | ||
| 305 | S | 85.2 | Confident | 92.5 | Very high | 32 Ų | 32 | 27.2 Ų | 27.2 | 22% | 0.224 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -20.6 | 177.4 | -62.4 | 0 | 0 | 0 | 0 | 114.2 | Q130 R217 E275 | Q130-S305 PolarHBondContact NE2-OG 3.4Å; Q130-S305 VanDerWaalsContact NE2-OG 3.17Å; R217-S305 PolarHBondContact NH2-OG 3.13Å; E275-S305 WeakPolarHBondContact OE1-CB 3.31Å; E275-S305 PolarHBondContact OE1-N 3.16Å; E275-S305 PolarHBondContact OE1-OG 3.48Å; E275-S305 PolarHBondContact OE2-N 3.41Å; E275-S305 PolarHBondContact OE2-OG 3.16Å |
| 306 | F | 83 | Confident | 92.3 | Very high | 24 Ų | 24 | 23.2 Ų | 23.2 | 11% | 0.105 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 6.5 | 179.9 | -55.7 | -76.1 | 0 | 0 | 0 | 112.4 | P225 L258 Y272 D304 N308 A341 | P225-F306 HydrophobicContact CG-CE1 4.16Å; P225-F306 HydrophobicContact CG-CE2 4.32Å; P225-F306 HydrophobicContact CG-CZ 3.9Å; L258-F306 HydrophobicContact CD1-CD1 3.99Å; L258-F306 HydrophobicContact CD1-CE1 4.26Å; L258-F306 HydrophobicContact CD2-CD1 3.81Å; L258-F306 HydrophobicContact CD2-CE1 3.77Å; Y272-F306 AromaticContact CE2-CD2 3.71Å; Y272-F306 HydrophobicContact CE2-CD2 3.71Å; Y272-F306 AromaticContact CE2-CE2 3.86Å; Y272-F306 HydrophobicContact CE2-CE2 3.86Å; Y272-F306 AromaticContact CZ-CD2 3.8Å; Y272-F306 WeakPolarHBondContact OH-CD2 3.44Å; D304-F306 PolarHBondContact O-N 3.03Å; D304-F306 VanDerWaalsContact OD1-C 3.3Å; D304-F306 VanDerWaalsContact OD1-CA 3.29Å; D304-F306 WeakPolarHBondContact OD1-CA 3.38Å; D304-F306 WeakPolarHBondContact OD1-CB 3.37Å; D304-F306 PolarHBondContact OD1-N 3.26Å; F306-N308 PolarHBondContact O-N 2.95Å; F306-A341 WeakPolarHBondContact O-CB 3.49Å; F306-A341 PolarHBondContact O-N 3.32Å |
| 307 | G | 88.4 | Confident | 91.9 | Very high | 10 Ų | 10 | 21.3 Ų | 21.3 | 10% | 0.103 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 75.6 | 3.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q303 D304 N340 | Q303-G307 PolarHBondContact NE2-O 2.97Å; D304-G307 PolarHBondContact O-N 3.25Å; D304-G307 PolarHBondContact OD1-N 3.29Å; G307-N340 VanDerWaalsContact O-CA 3.28Å; G307-N340 WeakPolarHBondContact O-CA 3.46Å |
| 308 | N | 91.8 | Very high | 91.8 | Very high | 12 Ų | 12 | 21.3 Ų | 21.3 | 6% | 0.064 | 12% | 0.117 | C | C | . | . | trans | -78.7 | 137.6 | -176.8 | -68.1 | -46.8 | 0 | 0 | 0 | 110.5 | Y272 Q303 D304 F306 H312 M313 N340 | Y272-N308 PolarHBondContact OH-ND2 3.31Å; Q303-N308 WeakPolarHBondContact CA-O 3.45Å; D304-N308 PolarHBondContact N-O 3.23Å; D304-N308 WeakPolarHBondContact OD1-CB 3.25Å; D304-N308 PolarHBondContact OD1-N 3.42Å; F306-N308 PolarHBondContact O-N 2.95Å; N308-H312 HydrophobicContact CB-CB 3.86Å; N308-M313 HydrophobicContact CB-CE 3.26Å; N308-N340 WeakPolarHBondContact OD1-CB 3.32Å; N308-N340 PolarHBondContact OD1-ND2 3.32Å | ||
| 309 | T | 94.5 | Very high | 91.7 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.012 | 12% | 0.123 | C | C | . | . | trans | -95.4 | 175.2 | 173.2 | 65.6 | 0 | 0 | 0 | 0 | 111.3 | Q303 L311 H312 M313 V338 | Q303-T309 HydrophobicContact CG-CG2 3.95Å; T309-L311 PolarHBondContact O-N 3.02Å; T309-L311 PolarHBondContact OG1-N 3.36Å; T309-H312 PolarHBondContact N-ND1 3.42Å; T309-H312 VanDerWaalsContact N-ND1 3.15Å; T309-H312 WeakPolarHBondContact O-CB 3.39Å; T309-H312 PolarHBondContact O-N 3.28Å; T309-H312 PolarHBondContact OG1-ND1 2.63Å; T309-M313 PolarHBondContact O-N 2.79Å; T309-M313 VanDerWaalsContact O-N 3.13Å; T309-V338 HydrophobicContact CG2-CB 3.78Å; T309-V338 HydrophobicContact CG2-CG1 3.46Å; T309-V338 VanDerWaalsContact CG2-CG1 3.46Å; T309-V338 HydrophobicContact CG2-CG2 4.3Å | ||
| 310 | V | 95.2 | Very high | 91.6 | Very high | 5 Ų | 5 | 21.4 Ų | 21.4 | 3% | 0.03 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -54.8 | -39.2 | 172.9 | 178 | 0 | 0 | 0 | 0 | 112 | L278 A279 A282 Y290 P300 H312 M313 C314 | L278-V310 HydrophobicContact CB-CG2 4.37Å; L278-V310 HydrophobicContact CD2-CG2 3.98Å; L278-V310 HydrophobicContact CG-CG2 4.03Å; A279-V310 HydrophobicContact CB-CG2 4.23Å; A282-V310 HydrophobicContact CB-CG1 3.35Å; Y290-V310 HydrophobicContact CE2-CG1 3.96Å; P300-V310 WeakPolarHBondContact O-CG2 3.35Å; V310-H312 VanDerWaalsContact C-N 3.34Å; V310-H312 PolarHBondContact O-N 3.16Å; V310-M313 WeakPolarHBondContact O-CB 3.16Å; V310-M313 PolarHBondContact O-N 3.19Å; V310-M313 VanDerWaalsContact O-N 3.16Å; V310-C314 PolarHBondContact O-N 2.78Å; V310-C314 PolarHBondContact O-SG 2.86Å; V310-C314 VanDerWaalsContact O-SG 3.42Å |
| 311 | L | 96.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.1 | -37.9 | 176.5 | -66.9 | -174.2 | 0 | 0 | 0 | 112.6 | T309 M313 C314 V315 Y323 A326 V327 A334 D335 V336 P346 | T309-L311 PolarHBondContact O-N 3.02Å; T309-L311 PolarHBondContact OG1-N 3.36Å; L311-M313 VanDerWaalsContact C-N 3.31Å; L311-M313 PolarHBondContact O-N 2.87Å; L311-C314 WeakPolarHBondContact O-CB 3.35Å; L311-C314 PolarHBondContact O-N 3.34Å; L311-V315 WeakPolarHBondContact O-CG2 3.31Å; L311-V315 PolarHBondContact O-N 3.38Å; L311-Y323 HydrophobicContact CB-CD2 4.33Å; L311-Y323 HydrophobicContact CB-CE2 3.89Å; L311-Y323 HydrophobicContact CD1-CE2 4.31Å; L311-Y323 HydrophobicContact CD2-CD2 3.87Å; L311-Y323 HydrophobicContact CD2-CE2 3.87Å; L311-Y323 HydrophobicContact CD2-CG 4.44Å; L311-Y323 HydrophobicContact CG-CE2 4.24Å; L311-A326 HydrophobicContact CD2-CB 3.83Å; L311-V327 HydrophobicContact CD1-CG2 4Å; L311-V327 HydrophobicContact CD2-CG2 3.82Å; L311-A334 HydrophobicContact CD1-CB 3.76Å; L311-A334 HydrophobicContact CD2-CB 3.78Å; L311-A334 HydrophobicContact CG-CB 3.68Å; L311-D335 WeakPolarHBondContact CD1-O 3.49Å; L311-V336 HydrophobicContact CD1-CB 4.42Å; L311-V336 HydrophobicContact CD1-CG1 3.88Å; L311-P346 HydrophobicContact CB-CB 4.19Å; L311-P346 HydrophobicContact CB-CG 3.81Å |
| 312 | H | 93.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.5 | -40.4 | 173.6 | -66.5 | 86 | 0 | 0 | 0 | 111.1 | N308 T309 V310 C314 V315 I316 V338 C344 L349 | N308-H312 HydrophobicContact CB-CB 3.86Å; T309-H312 PolarHBondContact N-ND1 3.42Å; T309-H312 VanDerWaalsContact N-ND1 3.15Å; T309-H312 WeakPolarHBondContact O-CB 3.39Å; T309-H312 PolarHBondContact O-N 3.28Å; T309-H312 PolarHBondContact OG1-ND1 2.63Å; V310-H312 VanDerWaalsContact C-N 3.34Å; V310-H312 PolarHBondContact O-N 3.16Å; H312-C314 VanDerWaalsContact C-N 3.34Å; H312-C314 PolarHBondContact O-N 3.31Å; H312-V315 WeakPolarHBondContact O-CB 3.44Å; H312-V315 PolarHBondContact O-N 3.21Å; H312-V315 VanDerWaalsContact O-N 3.11Å; H312-I316 WeakPolarHBondContact O-CG1 3.39Å; H312-I316 PolarHBondContact O-N 3.14Å; H312-V338 PolarHBondContact CE1-O 3.18Å; H312-C344 PolarHBondContact NE2-O 3.32Å; H312-L349 HydrophobicContact CB-CD2 4.13Å |
| 313 | M | 90.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.8 | -40.2 | 175.4 | -67.4 | -51.3 | 118.3 | 0 | 0 | 112.3 | Y272 G274 A279 N308 T309 V310 L311 V315 I316 H317 | Y272-M313 HydrophobicContact CD1-CE 4.43Å; Y272-M313 HydrophobicContact CD1-SD 4.19Å; Y272-M313 HydrophobicContact CE1-CE 3.5Å; Y272-M313 HydrophobicContact CE1-SD 3.81Å; Y272-M313 WeakPolarHBondContact OH-CE 3.42Å; G274-M313 VanDerWaalsContact CA-SD 3.55Å; G274-M313 PolarHBondContact N-SD 3.27Å; A279-M313 HydrophobicContact CB-CG 4.08Å; N308-M313 HydrophobicContact CB-CE 3.26Å; T309-M313 PolarHBondContact O-N 2.79Å; T309-M313 VanDerWaalsContact O-N 3.13Å; V310-M313 WeakPolarHBondContact O-CB 3.16Å; V310-M313 PolarHBondContact O-N 3.19Å; V310-M313 VanDerWaalsContact O-N 3.16Å; L311-M313 VanDerWaalsContact C-N 3.31Å; L311-M313 PolarHBondContact O-N 2.87Å; M313-V315 PolarHBondContact O-N 3.39Å; M313-I316 HydrophobicContact CE-CD1 3.77Å; M313-I316 PolarHBondContact O-N 2.98Å; M313-I316 HydrophobicContact SD-CD1 4.06Å; M313-H317 PolarHBondContact O-N 2.91Å; M313-H317 PolarHBondContact O-ND1 2.93Å |
| 314 | C | 93.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.8 | -35.5 | 173.6 | -67.1 | 0 | 0 | 0 | 0 | 112 | V310 L311 H312 N318 S319 Y323 | V310-C314 PolarHBondContact O-N 2.78Å; V310-C314 PolarHBondContact O-SG 2.86Å; V310-C314 VanDerWaalsContact O-SG 3.42Å; L311-C314 WeakPolarHBondContact O-CB 3.35Å; L311-C314 PolarHBondContact O-N 3.34Å; H312-C314 VanDerWaalsContact C-N 3.34Å; H312-C314 PolarHBondContact O-N 3.31Å; C314-N318 CarbonylContact O-C 3.58Å; C314-N318 WeakPolarHBondContact O-CA 3.26Å; C314-N318 PolarHBondContact O-N 3.04Å; C314-S319 PolarHBondContact O-N 3.1Å; C314-Y323 HydrophobicContact CB-CD2 3.98Å; C314-Y323 HydrophobicContact CB-CG 4.49Å |
| 315 | V | 92.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -69.8 | -45.7 | 175.5 | -169 | 0 | 0 | 0 | 0 | 112 | L311 H312 M313 H317 N318 Y323 P346 L349 A350 L353 I358 M362 | L311-V315 WeakPolarHBondContact O-CG2 3.31Å; L311-V315 PolarHBondContact O-N 3.38Å; H312-V315 WeakPolarHBondContact O-CB 3.44Å; H312-V315 PolarHBondContact O-N 3.21Å; H312-V315 VanDerWaalsContact O-N 3.11Å; M313-V315 PolarHBondContact O-N 3.39Å; V315-H317 VanDerWaalsContact C-N 3.31Å; V315-H317 PolarHBondContact O-N 2.85Å; V315-N318 PolarHBondContact O-N 2.89Å; V315-N318 VanDerWaalsContact O-N 3.14Å; V315-Y323 HydrophobicContact CG2-CE2 4.43Å; V315-P346 HydrophobicContact CG2-CB 4.06Å; V315-L349 HydrophobicContact CB-CD2 4.31Å; V315-L349 HydrophobicContact CG1-CG 4.32Å; V315-A350 VanDerWaalsContact CG1-CA 3.47Å; V315-A350 HydrophobicContact CG1-CB 3.64Å; V315-L353 HydrophobicContact CG1-CD1 4.18Å; V315-I358 HydrophobicContact CB-CD1 4.45Å; V315-I358 HydrophobicContact CG1-CG2 4.43Å; V315-I358 HydrophobicContact CG2-CD1 4.3Å; V315-M362 HydrophobicContact CB-CE 4.34Å; V315-M362 HydrophobicContact CG1-CE 4.36Å; V315-M362 HydrophobicContact CG2-CE 3.22Å |
| 316 | I | 88.7 | Confident | 92.7 | Very high | 22 Ų | 22 | 19.8 Ų | 19.8 | 11% | 0.113 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.2 | -44.2 | -179.3 | -67.7 | 167.7 | 0 | 0 | 0 | 110.6 | Y272 H312 M313 N318 L349 L353 | Y272-I316 HydrophobicContact CD1-CD1 4.3Å; Y272-I316 HydrophobicContact CE1-CD1 3.9Å; H312-I316 WeakPolarHBondContact O-CG1 3.39Å; H312-I316 PolarHBondContact O-N 3.14Å; M313-I316 HydrophobicContact CE-CD1 3.77Å; M313-I316 PolarHBondContact O-N 2.98Å; M313-I316 HydrophobicContact SD-CD1 4.06Å; I316-N318 VanDerWaalsContact C-N 3.33Å; I316-L349 HydrophobicContact CD1-CD2 4.3Å; I316-L349 HydrophobicContact CG1-CD2 3.96Å; I316-L353 HydrophobicContact CG1-CD1 4.48Å |
| 317 | H | 87.4 | Confident | 93.3 | Very high | 54 Ų | 54 | 20 Ų | 20 | 25% | 0.25 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -2 | 179.2 | -61.9 | 91.3 | 0 | 0 | 0 | 113.9 | Y272 F273 S283 M313 V315 S319 | Y272-H317 PolarHBondContact O-CE1 2.87Å; Y272-H317 PolarHBondContact O-NE2 3.44Å; F273-H317 AromaticContact CD1-CE1 3.95Å; F273-H317 AromaticContact CD1-NE2 3.52Å; F273-H317 AromaticContact CE1-NE2 3.81Å; S283-H317 PolarHBondContact OG-CE1 3.11Å; S283-H317 VanDerWaalsContact OG-CE1 3.27Å; S283-H317 PolarHBondContact OG-ND1 3.03Å; M313-H317 PolarHBondContact O-N 2.91Å; M313-H317 PolarHBondContact O-ND1 2.93Å; V315-H317 VanDerWaalsContact C-N 3.31Å; V315-H317 PolarHBondContact O-N 2.85Å; H317-S319 VanDerWaalsContact C-N 3.27Å; H317-S319 PolarHBondContact O-N 3.48Å |
| 318 | N | 90.2 | Very high | 93.6 | Very high | 53 Ų | 53 | 28.2 Ų | 28.2 | 28% | 0.283 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 36.7 | -176.1 | -160.8 | 35.9 | 0 | 0 | 0 | 113.9 | C314 V315 I316 I320 | C314-N318 CarbonylContact O-C 3.58Å; C314-N318 WeakPolarHBondContact O-CA 3.26Å; C314-N318 PolarHBondContact O-N 3.04Å; V315-N318 PolarHBondContact O-N 2.89Å; V315-N318 VanDerWaalsContact O-N 3.14Å; I316-N318 VanDerWaalsContact C-N 3.33Å; N318-I320 PolarHBondContact O-N 3Å; N318-I320 VanDerWaalsContact O-N 3.16Å |
| 319 | S | 91.7 | Very high | 93.7 | Very high | 22 Ų | 22 | 28.2 Ų | 28.2 | 15% | 0.154 | 14% | 0.142 | C | C | . | . | trans | -86.6 | 73.8 | -178.5 | -62.7 | 0 | 0 | 0 | 0 | 111.8 | S283 C314 H317 A321 M322 Y323 | S283-S319 PolarHBondContact O-OG 3.32Å; C314-S319 PolarHBondContact O-N 3.1Å; H317-S319 VanDerWaalsContact C-N 3.27Å; H317-S319 PolarHBondContact O-N 3.48Å; S319-A321 PolarHBondContact O-N 2.83Å; S319-M322 PolarHBondContact O-N 3.47Å; S319-Y323 PolarHBondContact O-N 3.37Å | ||
| 320 | I | 94.6 | Very high | 93.5 | Very high | 51 Ų | 51 | 33.1 Ų | 33.1 | 26% | 0.262 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -58.1 | -46.1 | -175.8 | -54.4 | 167.9 | 0 | 0 | 0 | 112.3 | N318 M322 Y323 T324 E357 I358 E361 | N318-I320 PolarHBondContact O-N 3Å; N318-I320 VanDerWaalsContact O-N 3.16Å; I320-M322 PolarHBondContact O-N 2.78Å; I320-Y323 PolarHBondContact O-N 3.14Å; I320-T324 WeakPolarHBondContact O-CG2 3.43Å; I320-T324 PolarHBondContact O-N 3.18Å; I320-T324 PolarHBondContact O-OG1 3.45Å; I320-E357 HydrophobicContact CD1-CB 3.66Å; I320-I358 HydrophobicContact CG1-CB 3.91Å; I320-I358 HydrophobicContact CG1-CG1 4.03Å; I320-E361 HydrophobicContact CG2-CB 3.87Å; I320-E361 HydrophobicContact CG2-CG 3.73Å |
| 321 | A | 94.8 | Very high | 93.3 | Very high | 63 Ų | 63 | 38.1 Ų | 38.1 | 52% | 0.521 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.4 | -28 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S319 T324 Y325 | S319-A321 PolarHBondContact O-N 2.83Å; A321-T324 WeakPolarHBondContact CA-OG1 3.28Å; A321-T324 PolarHBondContact O-OG1 2.94Å; A321-Y325 WeakPolarHBondContact O-CB 3.34Å; A321-Y325 PolarHBondContact O-N 3.03Å |
| 322 | M | 95 | Very high | 93.1 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -84.5 | -37.6 | 175.4 | -178.1 | 57.2 | 69 | 0 | 0 | 111.5 | A282 N286 K287 Y290 S319 I320 T324 Y325 A326 | A282-M322 HydrophobicContact CB-CG 3.74Å; A282-M322 HydrophobicContact CB-SD 4.43Å; A282-M322 WeakPolarHBondContact O-CG 3.08Å; N286-M322 VanDerWaalsContact C-CE 3.47Å; N286-M322 WeakPolarHBondContact O-CE 3.09Å; K287-M322 HydrophobicContact CG-CE 4.09Å; Y290-M322 HydrophobicContact CD2-CE 4.37Å; Y290-M322 HydrophobicContact CD2-SD 3.7Å; Y290-M322 HydrophobicContact CE2-SD 4.11Å; Y290-M322 HydrophobicContact CG-SD 4.12Å; S319-M322 PolarHBondContact O-N 3.47Å; I320-M322 PolarHBondContact O-N 2.78Å; M322-T324 PolarHBondContact O-N 2.82Å; M322-Y325 PolarHBondContact O-N 3.46Å; M322-Y325 HydrophobicContact SD-CD1 4.12Å; M322-A326 WeakPolarHBondContact O-CB 3.43Å; M322-A326 PolarHBondContact O-N 3.4Å |
| 323 | Y | 96.8 | Very high | 93.1 | Very high | 7 Ų | 7 | 44.7 Ų | 44.7 | 3% | 0.027 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.3 | -52 | 173.5 | -173.6 | -84.4 | 0 | 0 | 0 | 111.2 | L311 C314 V315 S319 I320 Y325 A326 V327 P346 I358 M362 L365 | L311-Y323 HydrophobicContact CB-CD2 4.33Å; L311-Y323 HydrophobicContact CB-CE2 3.89Å; L311-Y323 HydrophobicContact CD1-CE2 4.31Å; L311-Y323 HydrophobicContact CD2-CD2 3.87Å; L311-Y323 HydrophobicContact CD2-CE2 3.87Å; L311-Y323 HydrophobicContact CD2-CG 4.44Å; L311-Y323 HydrophobicContact CG-CE2 4.24Å; C314-Y323 HydrophobicContact CB-CD2 3.98Å; C314-Y323 HydrophobicContact CB-CG 4.49Å; V315-Y323 HydrophobicContact CG2-CE2 4.43Å; S319-Y323 PolarHBondContact O-N 3.37Å; I320-Y323 PolarHBondContact O-N 3.14Å; Y323-Y325 VanDerWaalsContact C-N 3.3Å; Y323-Y325 PolarHBondContact O-N 3.27Å; Y323-A326 PolarHBondContact O-N 3.06Å; Y323-V327 HydrophobicContact CD1-CG2 4.17Å; Y323-V327 HydrophobicContact CE1-CG2 3.76Å; Y323-V327 WeakPolarHBondContact O-CG2 3.21Å; Y323-V327 PolarHBondContact O-N 3.4Å; Y323-P346 HydrophobicContact CE2-CB 4.14Å; Y323-I358 HydrophobicContact CD2-CD1 4.33Å; Y323-I358 HydrophobicContact CG-CD1 4.36Å; Y323-M362 HydrophobicContact CD1-CG 4.12Å; Y323-M362 HydrophobicContact CD2-CE 3.71Å; Y323-M362 HydrophobicContact CE1-CB 4.37Å; Y323-M362 HydrophobicContact CE1-CE 4.24Å; Y323-M362 HydrophobicContact CE1-CG 3.45Å; Y323-M362 VanDerWaalsContact CE1-CG 3.45Å; Y323-M362 HydrophobicContact CE2-CE 3.3Å; Y323-M362 HydrophobicContact CE2-CG 4.17Å; Y323-M362 HydrophobicContact CE2-SD 4.45Å; Y323-M362 HydrophobicContact CG-CE 4.33Å; Y323-M362 VanDerWaalsContact CZ-CG 3.49Å; Y323-L365 HydrophobicContact CD1-CD1 3.64Å; Y323-L365 HydrophobicContact CE1-CD1 3.62Å |
| 324 | T | 95.8 | Very high | 93.3 | Very high | 26 Ų | 26 | 45 Ų | 45 | 16% | 0.16 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.2 | -41.5 | 176.4 | 47.5 | 0 | 0 | 0 | 0 | 112.6 | I320 A321 M322 R328 E361 L365 | I320-T324 WeakPolarHBondContact O-CG2 3.43Å; I320-T324 PolarHBondContact O-N 3.18Å; I320-T324 PolarHBondContact O-OG1 3.45Å; A321-T324 WeakPolarHBondContact CA-OG1 3.28Å; A321-T324 PolarHBondContact O-OG1 2.94Å; M322-T324 PolarHBondContact O-N 2.82Å; T324-R328 WeakPolarHBondContact O-CB 3.49Å; T324-R328 WeakPolarHBondContact O-CG 3.14Å; T324-R328 PolarHBondContact O-N 2.99Å; T324-R328 VanDerWaalsContact O-N 3.12Å; T324-E361 HydrophobicContact CG2-CG 3.28Å; T324-E361 WeakPolarHBondContact CG2-OE1 3.37Å; T324-L365 HydrophobicContact CG2-CD1 3.87Å; T324-L365 HydrophobicContact CG2-CD2 4.38Å; T324-L365 HydrophobicContact CG2-CG 4.42Å |
| 325 | Y | 95.7 | Very high | 93.3 | Very high | 62 Ų | 62 | 48 Ų | 48 | 24% | 0.243 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.1 | -49.3 | 178.8 | -170.9 | -105.9 | 0 | 0 | 0 | 112.2 | K287 Y290 D291 A321 M322 Y323 V327 R328 H329 | K287-Y325 HydrophobicContact CB-CD1 4.25Å; K287-Y325 HydrophobicContact CB-CE1 3.95Å; K287-Y325 HydrophobicContact CD-CD1 4.38Å; K287-Y325 HydrophobicContact CD-CD2 3.85Å; K287-Y325 HydrophobicContact CD-CE2 4.07Å; K287-Y325 HydrophobicContact CD-CG 4.02Å; K287-Y325 HydrophobicContact CG-CD1 3.95Å; K287-Y325 HydrophobicContact CG-CD2 4.32Å; K287-Y325 HydrophobicContact CG-CE1 4.15Å; K287-Y325 HydrophobicContact CG-CG 4.04Å; Y290-Y325 HydrophobicContact CD1-CD1 4.29Å; Y290-Y325 HydrophobicContact CD1-CE1 4.06Å; D291-Y325 WeakPolarHBondContact OD1-CE1 3.47Å; D291-Y325 VanDerWaalsContact OD1-CZ 3.28Å; D291-Y325 PolarHBondContact OD1-OH 3.47Å; D291-Y325 PolarHBondContact OD2-OH 2.99Å; A321-Y325 WeakPolarHBondContact O-CB 3.34Å; A321-Y325 PolarHBondContact O-N 3.03Å; M322-Y325 PolarHBondContact O-N 3.46Å; M322-Y325 HydrophobicContact SD-CD1 4.12Å; Y323-Y325 VanDerWaalsContact C-N 3.3Å; Y323-Y325 PolarHBondContact O-N 3.27Å; Y325-V327 VanDerWaalsContact C-N 3.34Å; Y325-V327 PolarHBondContact O-N 3.39Å; Y325-R328 CarbonylContact O-C 3.53Å; Y325-R328 PolarHBondContact O-N 2.93Å; Y325-H329 AromaticContact CE1-CD2 3.91Å; Y325-H329 PolarHBondContact O-N 2.82Å |
| 326 | A | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.3 | -39.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y290 L311 M322 Y323 A334 | Y290-A326 HydrophobicContact CE2-CB 4.28Å; Y290-A326 WeakPolarHBondContact OH-CB 3.49Å; L311-A326 HydrophobicContact CD2-CB 3.83Å; M322-A326 WeakPolarHBondContact O-CB 3.43Å; M322-A326 PolarHBondContact O-N 3.4Å; Y323-A326 PolarHBondContact O-N 3.06Å; A326-A334 HydrophobicContact CB-CB 4.2Å; A326-A334 WeakPolarHBondContact O-CB 3.44Å; A326-A334 PolarHBondContact O-N 3.39Å |
| 327 | V | 96.1 | Very high | 93.5 | Very high | 29 Ų | 29 | 55 Ų | 55 | 18% | 0.176 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.6 | -35.8 | 176.7 | 173.4 | 0 | 0 | 0 | 0 | 111.9 | L311 Y323 Y325 P333 V336 L365 | L311-V327 HydrophobicContact CD1-CG2 4Å; L311-V327 HydrophobicContact CD2-CG2 3.82Å; Y323-V327 HydrophobicContact CD1-CG2 4.17Å; Y323-V327 HydrophobicContact CE1-CG2 3.76Å; Y323-V327 WeakPolarHBondContact O-CG2 3.21Å; Y323-V327 PolarHBondContact O-N 3.4Å; Y325-V327 VanDerWaalsContact C-N 3.34Å; Y325-V327 PolarHBondContact O-N 3.39Å; V327-P333 WeakPolarHBondContact O-CB 3.36Å; V327-V336 HydrophobicContact CG1-CG1 4.21Å; V327-V336 HydrophobicContact CG2-CG1 3.77Å; V327-L365 HydrophobicContact CB-CD1 4.4Å; V327-L365 HydrophobicContact CG1-CD1 4.48Å |
| 328 | R | 94.6 | Very high | 93.7 | Very high | 183 Ų | 183 | 53.7 Ų | 53.7 | 69% | 0.691 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 11.3 | -177.5 | -65.2 | -174.5 | 174.5 | -166.8 | 0.7 | 114.2 | T324 Y325 L365 | T324-R328 WeakPolarHBondContact O-CB 3.49Å; T324-R328 WeakPolarHBondContact O-CG 3.14Å; T324-R328 PolarHBondContact O-N 2.99Å; T324-R328 VanDerWaalsContact O-N 3.12Å; Y325-R328 CarbonylContact O-C 3.53Å; Y325-R328 PolarHBondContact O-N 2.93Å; R328-L365 HydrophobicContact CG-CD2 4.13Å |
| 329 | H | 93.8 | Very high | 93.8 | Very high | 11 Ų | 11 | 54.6 Ų | 54.6 | 5% | 0.051 | 30% | 0.302 | C | S | . | . | trans | -62.1 | 137.4 | -176.8 | -167.6 | -67.5 | 0 | 0 | 0 | 111.2 | Y290 D291 Y325 N331 | Y290-H329 AromaticContact CD1-CD2 3.87Å; Y290-H329 AromaticContact CE1-CD2 3.65Å; D291-H329 IonicContact OD1-CD2 2.97Å; D291-H329 IonicContact OD1-NE2 2.93Å; D291-H329 PolarHBondContact OD1-NE2 3.38Å; D291-H329 VanDerWaalsContact OD1-NE2 3.14Å; Y325-H329 AromaticContact CE1-CD2 3.91Å; Y325-H329 PolarHBondContact O-N 2.82Å; H329-N331 PolarHBondContact ND1-N 3.21Å; H329-N331 VanDerWaalsContact ND1-N 3.18Å | ||
| 330 | S | 90.1 | Very high | 93.6 | Very high | 106 Ų | 106 | 54 Ų | 54 | 74% | 0.741 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -68.9 | -47.5 | -173.2 | 53.7 | 0 | 0 | 0 | 0 | 113.8 | ||
| 331 | N | 90.6 | Very high | 93.3 | Very high | 110 Ų | 110 | 55.4 Ų | 55.4 | 59% | 0.588 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -78 | -51.2 | -174.5 | -61.5 | -11.6 | 0 | 0 | 0 | 111.8 | I294 D295 H329 | I294-N331 HydrophobicContact CG2-CB 4.39Å; D295-N331 PolarHBondContact OD1-ND2 3.02Å; H329-N331 PolarHBondContact ND1-N 3.21Å; H329-N331 VanDerWaalsContact ND1-N 3.18Å |
| 332 | Q | 92.5 | Very high | 92.7 | Very high | 65 Ų | 65 | 56 Ų | 56 | 30% | 0.304 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -140 | 92.6 | -177.8 | -167 | 170.9 | 10.3 | 0 | 0 | 110.9 | I294 A298 N299 P300 | I294-Q332 HydrophobicContact CG2-CB 4.21Å; A298-Q332 PolarHBondContact O-OE1 3.19Å; N299-Q332 PolarHBondContact OD1-NE2 3.15Å; P300-Q332 VanDerWaalsContact CD-CD 3.44Å; P300-Q332 HydrophobicContact CG-CG 3.92Å |
| 333 | P | 94.1 | Very high | 92.2 | Very high | 72 Ų | 72 | 58.5 Ų | 58.5 | 47% | 0.468 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 140.2 | 176.4 | 27.9 | -33.7 | 0 | 0 | 0 | 111.1 | V327 | V327-P333 WeakPolarHBondContact O-CB 3.36Š|
| 334 | A | 95.1 | Very high | 91.8 | Very high | 7 Ų | 7 | 58.3 Ų | 58.3 | 6% | 0.058 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 136.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | P300 L311 A326 | P300-A334 HydrophobicContact CB-CB 3.89Å; P300-A334 HydrophobicContact CG-CB 4.35Å; L311-A334 HydrophobicContact CD1-CB 3.76Å; L311-A334 HydrophobicContact CD2-CB 3.78Å; L311-A334 HydrophobicContact CG-CB 3.68Å; A326-A334 HydrophobicContact CB-CB 4.2Å; A326-A334 WeakPolarHBondContact O-CB 3.44Å; A326-A334 PolarHBondContact O-N 3.39Å |
| 335 | D | 93.9 | Very high | 91.6 | Very high | 64 Ų | 64 | 58.6 Ų | 58.6 | 34% | 0.342 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -81.5 | 121.2 | 178.6 | -177 | 8.9 | 0 | 0 | 0 | 110.9 | N301 L311 N337 V338 | N301-D335 PolarHBondContact OD1-N 2.99Å; L311-D335 WeakPolarHBondContact CD1-O 3.49Å; D335-N337 VanDerWaalsContact C-N 3.31Å; D335-N337 PolarHBondContact OD1-N 2.95Å; D335-N337 PolarHBondContact OD1-ND2 3.12Å; D335-N337 VanDerWaalsContact OD1-ND2 3.15Å; D335-V338 HydrophobicContact CB-CG2 3.93Å |
| 336 | V | 93.6 | Very high | 91.5 | Very high | 54 Ų | 54 | 55.6 Ų | 55.6 | 33% | 0.327 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -12.6 | -178.2 | -60.6 | 0 | 0 | 0 | 0 | 113.4 | L311 V327 P346 | L311-V336 HydrophobicContact CD1-CB 4.42Å; L311-V336 HydrophobicContact CD1-CG1 3.88Å; V327-V336 HydrophobicContact CG1-CG1 4.21Å; V327-V336 HydrophobicContact CG2-CG1 3.77Å; V336-P346 WeakPolarHBondContact O-CD 3.2Å |
| 337 | N | 90.2 | Very high | 91.3 | Very high | 113 Ų | 113 | 57 Ų | 57 | 60% | 0.604 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -5.1 | -173.7 | -56.6 | -65.4 | 0 | 0 | 0 | 113.9 | D335 V339 | D335-N337 VanDerWaalsContact C-N 3.31Å; D335-N337 PolarHBondContact OD1-N 2.95Å; D335-N337 PolarHBondContact OD1-ND2 3.12Å; D335-N337 VanDerWaalsContact OD1-ND2 3.15Å; N337-V339 PolarHBondContact O-N 3.18Å |
| 338 | V | 92.7 | Very high | 91 | Very high | 27 Ų | 27 | 56.5 Ų | 56.5 | 16% | 0.164 | 33% | 0.332 | C | S | . | . | trans | -63.9 | 131.8 | 179.4 | -174.9 | 0 | 0 | 0 | 0 | 109.6 | Q303 T309 H312 D335 P346 | Q303-V338 HydrophobicContact CG-CG1 4.1Å; Q303-V338 VanDerWaalsContact NE2-CG1 3.31Å; T309-V338 HydrophobicContact CG2-CB 3.78Å; T309-V338 HydrophobicContact CG2-CG1 3.46Å; T309-V338 VanDerWaalsContact CG2-CG1 3.46Å; T309-V338 HydrophobicContact CG2-CG2 4.3Å; H312-V338 PolarHBondContact CE1-O 3.18Å; D335-V338 HydrophobicContact CB-CG2 3.93Å; V338-P346 WeakPolarHBondContact O-CD 3.32Å | ||
| 339 | V | 91.4 | Very high | 90.8 | Very high | 73 Ų | 73 | 48.8 Ų | 48.8 | 44% | 0.442 | 30% | 0.304 | S | S | . | . | trans | -100 | 141.5 | 177.8 | -67.1 | 0 | 0 | 0 | 0 | 111.1 | Q303 N337 C344 T345 | Q303-V339 PolarHBondContact NE2-O 2.96Å; N337-V339 PolarHBondContact O-N 3.18Å; V339-C344 WeakPolarHBondContact CA-O 3.37Å; V339-T345 HydrophobicContact CG1-CG2 3.69Å | ||
| 340 | N | 88 | Confident | 90.7 | Very high | 9 Ų | 9 | 48.3 Ų | 48.3 | 5% | 0.048 | 30% | 0.302 | C | S | . | . | trans | -77.9 | 179.3 | 172.3 | 72.8 | 5.9 | 0 | 0 | 0 | 113.1 | G307 N308 I342 G343 C344 | G307-N340 VanDerWaalsContact O-CA 3.28Å; G307-N340 WeakPolarHBondContact O-CA 3.46Å; N308-N340 WeakPolarHBondContact OD1-CB 3.32Å; N308-N340 PolarHBondContact OD1-ND2 3.32Å; N340-I342 PolarHBondContact O-N 3.26Å; N340-I342 VanDerWaalsContact O-N 3.1Å; N340-I342 WeakPolarHBondContact OD1-CA 3.37Å; N340-I342 WeakPolarHBondContact OD1-CB 3.44Å; N340-I342 PolarHBondContact OD1-N 3.04Å; N340-G343 WeakPolarHBondContact O-CA 3.45Å; N340-G343 PolarHBondContact O-N 3.28Å; N340-G343 PolarHBondContact OD1-N 3.45Å; N340-C344 PolarHBondContact N-O 3.01Å; N340-C344 PolarHBondContact OD1-N 3.11Å; N340-C344 PolarHBondContact OD1-O 3.32Å | ||
| 341 | A | 87.6 | Confident | 90.7 | Very high | 80 Ų | 80 | 43.2 Ų | 43.2 | 66% | 0.661 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -16.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | F306 G343 | F306-A341 WeakPolarHBondContact O-CB 3.49Å; F306-A341 PolarHBondContact O-N 3.32Å; A341-G343 VanDerWaalsContact C-N 3.32Å |
| 342 | I | 82.3 | Confident | 90.6 | Very high | 75 Ų | 75 | 42.6 Ų | 42.6 | 39% | 0.385 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -6.9 | 174.6 | -53.2 | 169.5 | 0 | 0 | 0 | 110.7 | L258 N340 | L258-I342 HydrophobicContact CB-CD1 3.76Å; L258-I342 HydrophobicContact CB-CG1 4.23Å; N340-I342 PolarHBondContact O-N 3.26Å; N340-I342 VanDerWaalsContact O-N 3.1Å; N340-I342 WeakPolarHBondContact OD1-CA 3.37Å; N340-I342 WeakPolarHBondContact OD1-CB 3.44Å; N340-I342 PolarHBondContact OD1-N 3.04Å |
| 343 | G | 85.5 | Confident | 90.2 | Very high | 55 Ų | 55 | 41.5 Ų | 41.5 | 57% | 0.567 | 25% | 0.254 | S | S | * | . | S | Bend | trans | 81.3 | 17.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N340 A341 | N340-G343 WeakPolarHBondContact O-CA 3.45Å; N340-G343 PolarHBondContact O-N 3.28Å; N340-G343 PolarHBondContact OD1-N 3.45Å; A341-G343 VanDerWaalsContact C-N 3.32Å |
| 344 | C | 87.9 | Confident | 90 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 3% | 0.027 | 23% | 0.234 | C | C | . | . | trans | -95.7 | 133.5 | 178.4 | -57.8 | 0 | 0 | 0 | 0 | 110.2 | H312 V339 N340 A348 K352 | H312-C344 PolarHBondContact NE2-O 3.32Å; V339-C344 WeakPolarHBondContact CA-O 3.37Å; N340-C344 PolarHBondContact N-O 3.01Å; N340-C344 PolarHBondContact OD1-N 3.11Å; N340-C344 PolarHBondContact OD1-O 3.32Å; C344-A348 HydrophobicContact CB-CB 4.31Å; C344-K352 PolarHBondContact SG-NZ 3.21Å | ||
| 345 | T | 91.2 | Very high | 89.8 | Confident | 31 Ų | 31 | 41.4 Ų | 41.4 | 19% | 0.19 | 24% | 0.244 | C | C | . | . | trans | -75.7 | 166.1 | 161.5 | 60.1 | 0 | 0 | 0 | 0 | 110.2 | V339 L347 A348 L349 | V339-T345 HydrophobicContact CG1-CG2 3.69Å; T345-L347 PolarHBondContact O-N 3.03Å; T345-A348 PolarHBondContact O-N 2.89Å; T345-A348 VanDerWaalsContact O-N 3.11Å; T345-A348 WeakPolarHBondContact OG1-CB 3.17Å; T345-A348 PolarHBondContact OG1-N 3.39Å; T345-L349 WeakPolarHBondContact O-CB 3.32Å; T345-L349 PolarHBondContact O-N 3.39Å | ||
| 346 | P | 93 | Very high | 89.6 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -53.8 | -38.8 | 172.6 | -26.2 | 34.2 | 0 | 0 | 0 | 112.8 | L311 V315 Y323 V336 V338 L349 A350 | L311-P346 HydrophobicContact CB-CB 4.19Å; L311-P346 HydrophobicContact CB-CG 3.81Å; V315-P346 HydrophobicContact CG2-CB 4.06Å; Y323-P346 HydrophobicContact CE2-CB 4.14Å; V336-P346 WeakPolarHBondContact O-CD 3.2Å; V338-P346 WeakPolarHBondContact O-CD 3.32Å; P346-L349 PolarHBondContact O-N 3.39Å; P346-A350 PolarHBondContact O-N 3.23Å |
| 347 | L | 92.7 | Very high | 89.6 | Confident | 28 Ų | 28 | 42.8 Ų | 42.8 | 15% | 0.147 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.8 | -46.8 | 175.9 | -174.4 | 73.3 | 0 | 0 | 0 | 111.9 | T345 L349 A350 T351 F359 M362 L363 A385 | T345-L347 PolarHBondContact O-N 3.03Å; L347-L349 VanDerWaalsContact C-N 3.27Å; L347-L349 PolarHBondContact O-N 2.84Å; L347-A350 WeakPolarHBondContact O-CB 3.32Å; L347-A350 PolarHBondContact O-N 3.43Å; L347-T351 WeakPolarHBondContact O-CG2 3.23Å; L347-T351 PolarHBondContact O-N 3.46Å; L347-F359 HydrophobicContact CD1-CD2 3.67Å; L347-F359 HydrophobicContact CD1-CE2 3.8Å; L347-F359 HydrophobicContact CG-CD2 4.5Å; L347-F359 HydrophobicContact CG-CE2 4.38Å; L347-M362 HydrophobicContact CD1-CB 3.77Å; L347-M362 HydrophobicContact CD1-CG 4.49Å; L347-M362 HydrophobicContact CD1-SD 4Å; L347-L363 HydrophobicContact CD1-CD2 4.44Å; L347-A385 HydrophobicContact CD2-CB 3.88Å |
| 348 | A | 90.4 | Very high | 89.8 | Confident | 19 Ų | 19 | 37.4 Ų | 37.4 | 16% | 0.157 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.9 | -29.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | C344 T345 T351 K352 | C344-A348 HydrophobicContact CB-CB 4.31Å; T345-A348 PolarHBondContact O-N 2.89Å; T345-A348 VanDerWaalsContact O-N 3.11Å; T345-A348 WeakPolarHBondContact OG1-CB 3.17Å; T345-A348 PolarHBondContact OG1-N 3.39Å; A348-T351 PolarHBondContact O-OG1 3.03Å; A348-K352 WeakPolarHBondContact O-CG 3.35Å; A348-K352 PolarHBondContact O-N 2.94Å; A348-K352 VanDerWaalsContact O-N 3.16Å |
| 349 | L | 89.9 | Confident | 89.9 | Confident | 22 Ų | 22 | 36.1 Ų | 36.1 | 12% | 0.115 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.1 | -41 | 172.9 | -175.5 | 63 | 0 | 0 | 0 | 111.2 | H312 V315 I316 T345 P346 L347 T351 K352 L353 | H312-L349 HydrophobicContact CB-CD2 4.13Å; V315-L349 HydrophobicContact CB-CD2 4.31Å; V315-L349 HydrophobicContact CG1-CG 4.32Å; I316-L349 HydrophobicContact CD1-CD2 4.3Å; I316-L349 HydrophobicContact CG1-CD2 3.96Å; T345-L349 WeakPolarHBondContact O-CB 3.32Å; T345-L349 PolarHBondContact O-N 3.39Å; P346-L349 PolarHBondContact O-N 3.39Å; L347-L349 VanDerWaalsContact C-N 3.27Å; L347-L349 PolarHBondContact O-N 2.84Å; L349-T351 VanDerWaalsContact C-N 3.28Å; L349-T351 PolarHBondContact O-N 3.37Å; L349-K352 PolarHBondContact O-N 3.37Å; L349-L353 HydrophobicContact CD1-CD1 4.19Å; L349-L353 HydrophobicContact CD1-CG 4.28Å; L349-L353 HydrophobicContact CG-CD1 3.99Å; L349-L353 HydrophobicContact CG-CG 4.45Å; L349-L353 WeakPolarHBondContact O-CB 3.1Å; L349-L353 WeakPolarHBondContact O-CG 3.44Å; L349-L353 PolarHBondContact O-N 3.42Å |
| 350 | A | 91.3 | Very high | 90 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.2 | -39.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | V315 P346 L347 L353 G354 R355 I358 F359 M362 | V315-A350 VanDerWaalsContact CG1-CA 3.47Å; V315-A350 HydrophobicContact CG1-CB 3.64Å; P346-A350 PolarHBondContact O-N 3.23Å; L347-A350 WeakPolarHBondContact O-CB 3.32Å; L347-A350 PolarHBondContact O-N 3.43Å; A350-L353 PolarHBondContact O-N 3.13Å; A350-G354 PolarHBondContact O-N 2.83Å; A350-G354 VanDerWaalsContact O-N 3.1Å; A350-R355 PolarHBondContact O-N 3.34Å; A350-I358 HydrophobicContact CB-CG2 4.06Å; A350-F359 HydrophobicContact CB-CB 4.38Å; A350-M362 HydrophobicContact CB-CE 4.1Å; A350-M362 HydrophobicContact CB-SD 3.76Å |
| 351 | T | 90.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.1 | -41.9 | 178 | 61.7 | 0 | 0 | 0 | 0 | 111.6 | L347 A348 L349 L353 G354 F359 A400 I404 H412 M415 | L347-T351 WeakPolarHBondContact O-CG2 3.23Å; L347-T351 PolarHBondContact O-N 3.46Å; A348-T351 PolarHBondContact O-OG1 3.03Å; L349-T351 VanDerWaalsContact C-N 3.28Å; L349-T351 PolarHBondContact O-N 3.37Å; T351-L353 VanDerWaalsContact C-N 3.3Å; T351-L353 PolarHBondContact O-N 3.48Å; T351-G354 PolarHBondContact O-N 2.92Å; T351-G354 VanDerWaalsContact O-N 3.15Å; T351-F359 HydrophobicContact CG2-CD2 3.56Å; T351-F359 HydrophobicContact CG2-CE2 3.42Å; T351-F359 VanDerWaalsContact CG2-CE2 3.42Å; T351-F359 HydrophobicContact CG2-CZ 4.34Å; T351-A400 HydrophobicContact CG2-CB 3.52Å; T351-I404 HydrophobicContact CG2-CD1 4.47Å; T351-I404 HydrophobicContact CG2-CG1 4.49Å; T351-H412 PolarHBondContact O-CD2 3.35Å; T351-H412 VanDerWaalsContact O-CD2 3.28Å; T351-H412 PolarHBondContact O-NE2 3.38Å; T351-M415 HydrophobicContact CG2-SD 4.05Å |
| 352 | K | 88 | Confident | 90.5 | Very high | 96 Ų | 96 | 34.7 Ų | 34.7 | 42% | 0.417 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.7 | -34.5 | 174.1 | -75.7 | -175.7 | 179.1 | -178.4 | 0 | 113.2 | C344 A348 L349 G354 T403 H412 | C344-K352 PolarHBondContact SG-NZ 3.21Å; A348-K352 WeakPolarHBondContact O-CG 3.35Å; A348-K352 PolarHBondContact O-N 2.94Å; A348-K352 VanDerWaalsContact O-N 3.16Å; L349-K352 PolarHBondContact O-N 3.37Å; K352-G354 VanDerWaalsContact C-N 3.31Å; K352-T403 HydrophobicContact CB-CG2 4.28Å; K352-T403 HydrophobicContact CG-CG2 3.52Å; K352-H412 PolarHBondContact O-NE2 3.43Å |
| 353 | L | 85.8 | Confident | 91 | Very high | 42 Ų | 42 | 31.2 Ų | 31.2 | 22% | 0.22 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -6.1 | 177.4 | -67 | 176.4 | 0 | 0 | 0 | 113.1 | V315 I316 L349 A350 T351 R355 | V315-L353 HydrophobicContact CG1-CD1 4.18Å; I316-L353 HydrophobicContact CG1-CD1 4.48Å; L349-L353 HydrophobicContact CD1-CD1 4.19Å; L349-L353 HydrophobicContact CD1-CG 4.28Å; L349-L353 HydrophobicContact CG-CD1 3.99Å; L349-L353 HydrophobicContact CG-CG 4.45Å; L349-L353 WeakPolarHBondContact O-CB 3.1Å; L349-L353 WeakPolarHBondContact O-CG 3.44Å; L349-L353 PolarHBondContact O-N 3.42Å; A350-L353 PolarHBondContact O-N 3.13Å; T351-L353 VanDerWaalsContact C-N 3.3Å; T351-L353 PolarHBondContact O-N 3.48Å; L353-R355 VanDerWaalsContact C-N 3.28Å; L353-R355 HydrophobicContact CB-CG 3.9Å; L353-R355 PolarHBondContact O-N 2.79Å |
| 354 | G | 89.2 | Confident | 91.2 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 4% | 0.041 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 21.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | A350 T351 K352 K356 D411 | A350-G354 PolarHBondContact O-N 2.83Å; A350-G354 VanDerWaalsContact O-N 3.1Å; T351-G354 PolarHBondContact O-N 2.92Å; T351-G354 VanDerWaalsContact O-N 3.15Å; K352-G354 VanDerWaalsContact C-N 3.31Å; G354-K356 PolarHBondContact O-N 3.2Å; G354-K356 VanDerWaalsContact O-N 3.08Å; G354-D411 VanDerWaalsContact O-CB 3.29Å; G354-D411 WeakPolarHBondContact O-CB 3.26Å |
| 355 | R | 90.1 | Very high | 91.4 | Very high | 73 Ų | 73 | 33.7 Ų | 33.7 | 28% | 0.275 | 16% | 0.162 | S | C | . | . | trans | -81 | 90 | -176.5 | -61.3 | -64.2 | -172.5 | -168 | -1.8 | 111.5 | A350 L353 I358 F359 M415 | A350-R355 PolarHBondContact O-N 3.34Å; L353-R355 VanDerWaalsContact C-N 3.28Å; L353-R355 HydrophobicContact CB-CG 3.9Å; L353-R355 PolarHBondContact O-N 2.79Å; R355-I358 HydrophobicContact CB-CG2 3.49Å; R355-I358 VanDerWaalsContact CB-CG2 3.49Å; R355-I358 HydrophobicContact CG-CG2 4.46Å; R355-F359 WeakPolarHBondContact O-CB 3.37Å; R355-F359 PolarHBondContact O-N 2.89Å; R355-F359 VanDerWaalsContact O-N 3.15Å; R355-M415 VanDerWaalsContact C-CE 3.47Å | ||
| 356 | K | 91.3 | Very high | 91.3 | Very high | 44 Ų | 44 | 34.3 Ų | 34.3 | 19% | 0.191 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59 | -50.6 | -175.5 | -179.7 | -174 | 175.4 | 178.2 | 0 | 113.4 | G354 F359 E360 A414 | G354-K356 PolarHBondContact O-N 3.2Å; G354-K356 VanDerWaalsContact O-N 3.08Å; K356-F359 WeakPolarHBondContact O-CB 3.45Å; K356-F359 PolarHBondContact O-N 3.45Å; K356-E360 WeakPolarHBondContact CE-OE1 3.16Å; K356-E360 HydrophobicContact CG-CG 4.45Å; K356-E360 IonicContact NZ-OE1 2.7Å; K356-E360 WeakPolarHBondContact O-CG 3.24Å; K356-E360 PolarHBondContact O-N 3.44Å; K356-A414 HydrophobicContact CD-CB 4.29Å; K356-A414 WeakPolarHBondContact CD-O 3.4Å |
| 357 | E | 93 | Very high | 91.1 | Very high | 104 Ų | 104 | 35.3 Ų | 35.3 | 49% | 0.486 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -68.2 | -44.1 | -168.9 | -62.8 | 73.1 | -160.7 | 0 | 0 | 111.6 | I320 F359 E360 E361 | I320-E357 HydrophobicContact CD1-CB 3.66Å; E357-F359 VanDerWaalsContact C-N 3.32Å; E357-E360 PolarHBondContact O-N 3.28Å; E357-E361 PolarHBondContact O-N 3.38Å; E357-E361 VanDerWaalsContact O-N 3.07Å |
| 358 | I | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.9 | -35.1 | 175.4 | -156.8 | 178.2 | 0 | 0 | 0 | 111.4 | V315 I320 Y323 A350 R355 E361 M362 | V315-I358 HydrophobicContact CB-CD1 4.45Å; V315-I358 HydrophobicContact CG1-CG2 4.43Å; V315-I358 HydrophobicContact CG2-CD1 4.3Å; I320-I358 HydrophobicContact CG1-CB 3.91Å; I320-I358 HydrophobicContact CG1-CG1 4.03Å; Y323-I358 HydrophobicContact CD2-CD1 4.33Å; Y323-I358 HydrophobicContact CG-CD1 4.36Å; A350-I358 HydrophobicContact CB-CG2 4.06Å; R355-I358 HydrophobicContact CB-CG2 3.49Å; R355-I358 VanDerWaalsContact CB-CG2 3.49Å; R355-I358 HydrophobicContact CG-CG2 4.46Å; I358-E361 PolarHBondContact O-N 2.92Å; I358-M362 HydrophobicContact CD1-CE 3.77Å; I358-M362 HydrophobicContact CG1-CE 3.77Å; I358-M362 HydrophobicContact CG2-CE 4.26Å; I358-M362 WeakPolarHBondContact O-CB 3.42Å; I358-M362 WeakPolarHBondContact O-CG 3.44Å; I358-M362 PolarHBondContact O-N 2.95Å |
| 359 | F | 94.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.5 | -43.3 | 175.8 | 170.6 | -99.2 | 0 | 0 | 0 | 111.7 | L347 A350 T351 R355 K356 E357 M362 L363 L386 A400 I404 M415 V421 | L347-F359 HydrophobicContact CD1-CD2 3.67Å; L347-F359 HydrophobicContact CD1-CE2 3.8Å; L347-F359 HydrophobicContact CG-CD2 4.5Å; L347-F359 HydrophobicContact CG-CE2 4.38Å; A350-F359 HydrophobicContact CB-CB 4.38Å; T351-F359 HydrophobicContact CG2-CD2 3.56Å; T351-F359 HydrophobicContact CG2-CE2 3.42Å; T351-F359 VanDerWaalsContact CG2-CE2 3.42Å; T351-F359 HydrophobicContact CG2-CZ 4.34Å; R355-F359 WeakPolarHBondContact O-CB 3.37Å; R355-F359 PolarHBondContact O-N 2.89Å; R355-F359 VanDerWaalsContact O-N 3.15Å; K356-F359 WeakPolarHBondContact O-CB 3.45Å; K356-F359 PolarHBondContact O-N 3.45Å; E357-F359 VanDerWaalsContact C-N 3.32Å; F359-M362 WeakPolarHBondContact O-CB 3.41Å; F359-M362 PolarHBondContact O-N 3.23Å; F359-L363 HydrophobicContact CD1-CD1 4.11Å; F359-L363 HydrophobicContact CE1-CD1 3.48Å; F359-L363 VanDerWaalsContact CE1-CD1 3.48Å; F359-L363 HydrophobicContact CE1-CG 4.36Å; F359-L363 HydrophobicContact CE2-CD1 4.27Å; F359-L363 HydrophobicContact CE2-CG 4.41Å; F359-L363 HydrophobicContact CZ-CD1 3.59Å; F359-L363 HydrophobicContact CZ-CG 4.21Å; F359-L363 WeakPolarHBondContact O-CG 3.19Å; F359-L363 PolarHBondContact O-N 3.21Å; F359-L386 HydrophobicContact CE2-CD1 4.46Å; F359-L386 HydrophobicContact CZ-CD1 3.82Å; F359-A400 HydrophobicContact CE2-CB 4.1Å; F359-A400 HydrophobicContact CZ-CB 4.45Å; F359-I404 HydrophobicContact CZ-CD1 4.3Å; F359-M415 HydrophobicContact CB-CE 4.03Å; F359-M415 HydrophobicContact CB-SD 4.35Å; F359-M415 HydrophobicContact CD1-CG 3.72Å; F359-M415 HydrophobicContact CD1-SD 3.92Å; F359-M415 HydrophobicContact CD2-SD 4.23Å; F359-M415 HydrophobicContact CE1-CG 3.95Å; F359-M415 HydrophobicContact CE1-SD 4.23Å; F359-M415 HydrophobicContact CG-CE 4.24Å; F359-M415 HydrophobicContact CG-CG 4.29Å; F359-M415 HydrophobicContact CG-SD 3.9Å; F359-V421 HydrophobicContact CE1-CG2 3.97Å; F359-V421 HydrophobicContact CZ-CG2 4.23Å |
| 360 | E | 92.8 | Very high | 90 | Very high | 54 Ų | 54 | 44.4 Ų | 44.4 | 25% | 0.252 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.2 | -46.8 | 174.2 | -74.5 | 176.1 | 164.7 | 0 | 0 | 111 | K356 E357 M362 L363 E364 S418 | K356-E360 WeakPolarHBondContact CE-OE1 3.16Å; K356-E360 HydrophobicContact CG-CG 4.45Å; K356-E360 IonicContact NZ-OE1 2.7Å; K356-E360 WeakPolarHBondContact O-CG 3.24Å; K356-E360 PolarHBondContact O-N 3.44Å; E357-E360 PolarHBondContact O-N 3.28Å; E360-M362 VanDerWaalsContact C-N 3.33Å; E360-M362 PolarHBondContact O-N 2.93Å; E360-L363 WeakPolarHBondContact O-CB 3.36Å; E360-L363 PolarHBondContact O-N 3.42Å; E360-L363 VanDerWaalsContact O-N 3.17Å; E360-E364 WeakPolarHBondContact O-CG 3.43Å; E360-E364 PolarHBondContact O-N 3.16Å; E360-S418 VanDerWaalsContact OE1-CA 3.29Å; E360-S418 WeakPolarHBondContact OE1-CA 3.17Å; E360-S418 WeakPolarHBondContact OE1-CB 3.38Å |
| 361 | E | 93.4 | Very high | 89.4 | Confident | 71 Ų | 71 | 50.1 Ų | 50.1 | 33% | 0.332 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.1 | -38.3 | 177.8 | -165.3 | 69.3 | -167.7 | 0 | 0 | 112.3 | I320 T324 E357 I358 L363 E364 L365 | I320-E361 HydrophobicContact CG2-CB 3.87Å; I320-E361 HydrophobicContact CG2-CG 3.73Å; T324-E361 HydrophobicContact CG2-CG 3.28Å; T324-E361 WeakPolarHBondContact CG2-OE1 3.37Å; E357-E361 PolarHBondContact O-N 3.38Å; E357-E361 VanDerWaalsContact O-N 3.07Å; I358-E361 PolarHBondContact O-N 2.92Å; E361-L363 VanDerWaalsContact C-N 3.34Å; E361-L363 PolarHBondContact O-N 2.87Å; E361-E364 PolarHBondContact O-N 3.47Å; E361-L365 VanDerWaalsContact O-CG 3.27Å; E361-L365 WeakPolarHBondContact O-CG 3.5Å; E361-L365 PolarHBondContact O-N 3.18Å |
| 362 | M | 94.5 | Very high | 88.8 | Confident | 7 Ų | 7 | 58.5 Ų | 58.5 | 3% | 0.034 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 173.5 | -74.8 | 168 | -180 | 0 | 0 | 112 | V315 Y323 L347 A350 I358 F359 E360 L365 S366 | V315-M362 HydrophobicContact CB-CE 4.34Å; V315-M362 HydrophobicContact CG1-CE 4.36Å; V315-M362 HydrophobicContact CG2-CE 3.22Å; Y323-M362 HydrophobicContact CD1-CG 4.12Å; Y323-M362 HydrophobicContact CD2-CE 3.71Å; Y323-M362 HydrophobicContact CE1-CB 4.37Å; Y323-M362 HydrophobicContact CE1-CE 4.24Å; Y323-M362 HydrophobicContact CE1-CG 3.45Å; Y323-M362 VanDerWaalsContact CE1-CG 3.45Å; Y323-M362 HydrophobicContact CE2-CE 3.3Å; Y323-M362 HydrophobicContact CE2-CG 4.17Å; Y323-M362 HydrophobicContact CE2-SD 4.45Å; Y323-M362 HydrophobicContact CG-CE 4.33Å; Y323-M362 VanDerWaalsContact CZ-CG 3.49Å; L347-M362 HydrophobicContact CD1-CB 3.77Å; L347-M362 HydrophobicContact CD1-CG 4.49Å; L347-M362 HydrophobicContact CD1-SD 4Å; A350-M362 HydrophobicContact CB-CE 4.1Å; A350-M362 HydrophobicContact CB-SD 3.76Å; I358-M362 HydrophobicContact CD1-CE 3.77Å; I358-M362 HydrophobicContact CG1-CE 3.77Å; I358-M362 HydrophobicContact CG2-CE 4.26Å; I358-M362 WeakPolarHBondContact O-CB 3.42Å; I358-M362 WeakPolarHBondContact O-CG 3.44Å; I358-M362 PolarHBondContact O-N 2.95Å; F359-M362 WeakPolarHBondContact O-CB 3.41Å; F359-M362 PolarHBondContact O-N 3.23Å; E360-M362 VanDerWaalsContact C-N 3.33Å; E360-M362 PolarHBondContact O-N 2.93Å; M362-L365 PolarHBondContact O-N 2.91Å; M362-S366 PolarHBondContact O-N 3.36Å; M362-S366 VanDerWaalsContact O-N 3.08Å; M362-S366 PolarHBondContact O-OG 2.92Å |
| 363 | L | 92.1 | Very high | 88.2 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 175.7 | -70.8 | 177.6 | 0 | 0 | 0 | 110.4 | L347 F359 E360 E361 L365 S366 G367 Y381 L386 V420 | L347-L363 HydrophobicContact CD1-CD2 4.44Å; F359-L363 HydrophobicContact CD1-CD1 4.11Å; F359-L363 HydrophobicContact CE1-CD1 3.48Å; F359-L363 VanDerWaalsContact CE1-CD1 3.48Å; F359-L363 HydrophobicContact CE1-CG 4.36Å; F359-L363 HydrophobicContact CE2-CD1 4.27Å; F359-L363 HydrophobicContact CE2-CG 4.41Å; F359-L363 HydrophobicContact CZ-CD1 3.59Å; F359-L363 HydrophobicContact CZ-CG 4.21Å; F359-L363 WeakPolarHBondContact O-CG 3.19Å; F359-L363 PolarHBondContact O-N 3.21Å; E360-L363 WeakPolarHBondContact O-CB 3.36Å; E360-L363 PolarHBondContact O-N 3.42Å; E360-L363 VanDerWaalsContact O-N 3.17Å; E361-L363 VanDerWaalsContact C-N 3.34Å; E361-L363 PolarHBondContact O-N 2.87Å; L363-L365 VanDerWaalsContact C-N 3.32Å; L363-L365 PolarHBondContact O-N 3.33Å; L363-S366 WeakPolarHBondContact CA-OG 3.16Å; L363-S366 CarbonylContact O-C 3.18Å; L363-S366 PolarHBondContact O-N 3.45Å; L363-S366 VanDerWaalsContact O-N 3.1Å; L363-S366 PolarHBondContact O-OG 3.29Å; L363-G367 PolarHBondContact O-N 2.96Å; L363-Y381 HydrophobicContact CB-CD1 4.2Å; L363-Y381 HydrophobicContact CB-CE1 4.48Å; L363-Y381 WeakPolarHBondContact O-CD1 3.17Å; L363-Y381 VanDerWaalsContact O-CE1 3.24Å; L363-Y381 WeakPolarHBondContact O-CE1 3.42Å; L363-L386 HydrophobicContact CD2-CD2 4.29Å; L363-V420 HydrophobicContact CD1-CB 4.03Å; L363-V420 HydrophobicContact CD1-CG1 4.28Å; L363-V420 HydrophobicContact CD1-CG2 4.26Å |
| 364 | E | 90.3 | Very high | 87.9 | Confident | 75 Ų | 75 | 63.2 Ų | 63.2 | 35% | 0.35 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.4 | -41.7 | 176 | -65.1 | -71.2 | -159.2 | 0 | 0 | 112.9 | E360 E361 S366 G367 Y381 K758 | E360-E364 WeakPolarHBondContact O-CG 3.43Å; E360-E364 PolarHBondContact O-N 3.16Å; E361-E364 PolarHBondContact O-N 3.47Å; E364-S366 VanDerWaalsContact C-N 3.29Å; E364-S366 PolarHBondContact O-N 3.45Å; E364-G367 PolarHBondContact O-N 2.84Å; E364-Y381 PolarHBondContact OE2-OH 3.43Å; E364-K758 IonicContact OE1-NZ 3.77Å; E364-K758 PolarHBondContact OE1-NZ 3.31Å; E364-K758 IonicContact OE2-NZ 2.78Å; E364-K758 PolarHBondContact OE2-NZ 3.42Å |
| 365 | L | 91.2 | Very high | 87.1 | Confident | 35 Ų | 35 | 64 Ų | 64 | 18% | 0.183 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67 | -31 | 176.4 | -69 | 168.6 | 0 | 0 | 0 | 112.9 | Y323 T324 V327 R328 E361 M362 L363 | Y323-L365 HydrophobicContact CD1-CD1 3.64Å; Y323-L365 HydrophobicContact CE1-CD1 3.62Å; T324-L365 HydrophobicContact CG2-CD1 3.87Å; T324-L365 HydrophobicContact CG2-CD2 4.38Å; T324-L365 HydrophobicContact CG2-CG 4.42Å; V327-L365 HydrophobicContact CB-CD1 4.4Å; V327-L365 HydrophobicContact CG1-CD1 4.48Å; R328-L365 HydrophobicContact CG-CD2 4.13Å; E361-L365 VanDerWaalsContact O-CG 3.27Å; E361-L365 WeakPolarHBondContact O-CG 3.5Å; E361-L365 PolarHBondContact O-N 3.18Å; M362-L365 PolarHBondContact O-N 2.91Å; L363-L365 VanDerWaalsContact C-N 3.32Å; L363-L365 PolarHBondContact O-N 3.33Å |
| 366 | S | 89.7 | Confident | 86.5 | Confident | 45 Ų | 45 | 61.9 Ų | 61.9 | 32% | 0.315 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -84 | -13.2 | 177.7 | 73.9 | 0 | 0 | 0 | 0 | 114 | M362 L363 E364 P382 | M362-S366 PolarHBondContact O-N 3.36Å; M362-S366 VanDerWaalsContact O-N 3.08Å; M362-S366 PolarHBondContact O-OG 2.92Å; L363-S366 WeakPolarHBondContact CA-OG 3.16Å; L363-S366 CarbonylContact O-C 3.18Å; L363-S366 PolarHBondContact O-N 3.45Å; L363-S366 VanDerWaalsContact O-N 3.1Å; L363-S366 PolarHBondContact O-OG 3.29Å; E364-S366 VanDerWaalsContact C-N 3.29Å; E364-S366 PolarHBondContact O-N 3.45Å; S366-P382 WeakPolarHBondContact O-CD 3.38Å |
| 367 | G | 88.8 | Confident | 85.9 | Confident | 20 Ų | 20 | 59.8 Ų | 59.8 | 21% | 0.206 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 134.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L363 E364 A380 | L363-G367 PolarHBondContact O-N 2.96Å; E364-G367 PolarHBondContact O-N 2.84Å; G367-A380 WeakPolarHBondContact CA-O 3.31Å |
| 368 | V | 86.7 | Confident | 85.5 | Confident | 74 Ų | 74 | 54.9 Ų | 54.9 | 45% | 0.448 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 116.5 | 173.7 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | S379 A380 L741 | V368-S379 CarbonylContact O-C 3.59Å; V368-S379 VanDerWaalsContact O-CA 3.3Å; V368-S379 WeakPolarHBondContact O-CA 3.38Å; V368-A380 PolarHBondContact N-O 3.43Å; V368-A380 PolarHBondContact O-N 2.8Å; V368-L741 HydrophobicContact CB-CD2 4.4Å |
| 369 | E | 84.4 | Confident | 85.1 | Confident | 116 Ų | 116 | 55.1 Ų | 55.1 | 54% | 0.542 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 121.3 | 173.9 | -63.6 | -175.2 | 177.1 | 0 | 0 | 109.9 | ||
| 370 | F | 79 | Confident | 84.8 | Confident | 71 Ų | 71 | 55.1 Ų | 55.1 | 31% | 0.311 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | -48.8 | 173.3 | -77.5 | -69.6 | 0 | 0 | 0 | 111.5 | V378 A380 V739 L741 I866 | F370-V378 HydrophobicContact CD2-CG1 4.46Å; F370-V378 PolarHBondContact N-O 3.24Å; F370-A380 HydrophobicContact CD2-CB 4.15Å; F370-A380 HydrophobicContact CE2-CB 3.43Å; F370-A380 VanDerWaalsContact CE2-CB 3.43Å; F370-A380 HydrophobicContact CZ-CB 4.22Å; F370-V739 HydrophobicContact CZ-CG1 4.45Å; F370-L741 HydrophobicContact CZ-CD2 4.05Å; F370-I866 HydrophobicContact CD1-CD1 4.01Å; F370-I866 HydrophobicContact CD2-CD1 3.95Å; F370-I866 HydrophobicContact CE1-CD1 4.02Å; F370-I866 HydrophobicContact CE1-CG2 4.2Å; F370-I866 HydrophobicContact CE2-CD1 3.91Å; F370-I866 HydrophobicContact CG-CD1 3.99Å; F370-I866 HydrophobicContact CZ-CD1 3.97Å; F370-I866 HydrophobicContact CZ-CG2 4.33Å |
| 371 | W | 79 | Confident | 84.7 | Confident | 119 Ų | 119 | 52.6 Ų | 52.6 | 45% | 0.451 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 155.2 | 178.7 | 51.5 | -95.6 | 0 | 0 | 0 | 111 | F373 I376 V378 | W371-F373 HydrophobicContact CE3-CB 4.45Å; W371-F373 HydrophobicContact CZ3-CB 4.35Å; W371-I376 HydrophobicContact CZ3-CG2 4.33Å; W371-V378 HydrophobicContact CD2-CB 4.01Å; W371-V378 HydrophobicContact CD2-CG2 4Å; W371-V378 HydrophobicContact CE3-CB 4.42Å; W371-V378 HydrophobicContact CE3-CG2 4.07Å; W371-V378 HydrophobicContact CH2-CB 4.35Å; W371-V378 HydrophobicContact CH2-CG2 3.31Å; W371-V378 HydrophobicContact CZ2-CB 3.92Å; W371-V378 HydrophobicContact CZ2-CG1 4.38Å; W371-V378 HydrophobicContact CZ2-CG2 3.21Å; W371-V378 HydrophobicContact CZ3-CG2 3.75Å; W371-V378 PolarHBondContact O-N 3.49Å |
| 372 | R | 77.1 | Confident | 84.5 | Confident | 176 Ų | 176 | 51.2 Ų | 51.2 | 66% | 0.664 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 126.7 | 175.4 | 179.6 | 172 | 70.6 | -163.3 | 0 | 109.6 | I376 T377 | R372-I376 WeakPolarHBondContact CA-O 3.44Å; R372-T377 HydrophobicContact CB-CG2 3.85Å; R372-T377 HydrophobicContact CG-CG2 3.49Å; R372-T377 VanDerWaalsContact CG-CG2 3.49Å |
| 373 | F | 75.9 | Confident | 84.2 | Confident | 150 Ų | 150 | 51 Ų | 51 | 66% | 0.658 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 114.8 | 173 | -176.2 | -97.6 | 0 | 0 | 0 | 109.8 | W371 D375 I376 | W371-F373 HydrophobicContact CE3-CB 4.45Å; W371-F373 HydrophobicContact CZ3-CB 4.35Å; F373-D375 PolarHBondContact O-N 3.04Å; F373-D375 VanDerWaalsContact O-N 3.08Å; F373-I376 PolarHBondContact N-O 3.25Å; F373-I376 PolarHBondContact O-N 3.14Å |
| 374 | S | 78.1 | Confident | 83.9 | Confident | 88 Ų | 88 | 54.4 Ų | 54.4 | 62% | 0.615 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | -112.3 | -174.2 | -179.1 | 0 | 0 | 0 | 0 | 111.7 | ||
| 375 | D | 72.7 | Confident | 83.6 | Confident | 19 Ų | 19 | 52.8 Ų | 52.8 | 10% | 0.102 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -2.2 | -179 | 49.7 | -48.3 | 0 | 0 | 0 | 112.8 | F373 Q759 F760 K762 | F373-D375 PolarHBondContact O-N 3.04Å; F373-D375 VanDerWaalsContact O-N 3.08Å; D375-Q759 CarbonylContact O-C 3.54Å; D375-Q759 WeakPolarHBondContact O-CA 3.29Å; D375-Q759 PolarHBondContact OD2-NE2 3.4Å; D375-F760 PolarHBondContact O-N 2.87Å; D375-K762 HydrophobicContact CB-CG 4.33Å; D375-K762 VanDerWaalsContact CG-CE 3.4Å; D375-K762 WeakPolarHBondContact OD1-CE 3.16Å; D375-K762 IonicContact OD1-NZ 3.85Å; D375-K762 WeakPolarHBondContact OD2-CE 3.25Å; D375-K762 IonicContact OD2-NZ 3.03Å |
| 376 | I | 78 | Confident | 83.5 | Confident | 29 Ų | 29 | 51.2 Ų | 51.2 | 15% | 0.149 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 128.2 | 178.9 | -57.7 | 170 | 0 | 0 | 0 | 108.8 | W371 R372 F373 I757 K758 L851 | W371-I376 HydrophobicContact CZ3-CG2 4.33Å; R372-I376 WeakPolarHBondContact CA-O 3.44Å; F373-I376 PolarHBondContact N-O 3.25Å; F373-I376 PolarHBondContact O-N 3.14Å; I376-I757 HydrophobicContact CG2-CG2 3.66Å; I376-K758 CarbonylContact C-O 3.29Å; I376-K758 WeakPolarHBondContact CA-O 3.44Å; I376-L851 HydrophobicContact CD1-CD1 4.2Å; I376-L851 HydrophobicContact CD1-CD2 4.19Å |
| 377 | T | 79.4 | Confident | 83.6 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 141 | 173.9 | 47.6 | 0 | 0 | 0 | 0 | 109.6 | R372 I757 K758 F760 | R372-T377 HydrophobicContact CB-CG2 3.85Å; R372-T377 HydrophobicContact CG-CG2 3.49Å; R372-T377 VanDerWaalsContact CG-CG2 3.49Å; T377-I757 CarbonylContact O-C 3.58Å; T377-I757 WeakPolarHBondContact O-CA 3.25Å; T377-K758 PolarHBondContact N-O 3.28Å; T377-K758 PolarHBondContact O-N 2.91Å; T377-K758 WeakPolarHBondContact OG1-CB 3.05Å; T377-K758 PolarHBondContact OG1-O 3.47Å; T377-F760 HydrophobicContact CG2-CD2 4.1Å; T377-F760 HydrophobicContact CG2-CE2 3.68Å; T377-F760 WeakPolarHBondContact OG1-CE2 3.36Å |
| 378 | V | 83.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 110.2 | 174.5 | 174.1 | 0 | 0 | 0 | 0 | 107.8 | F370 W371 M755 I757 | F370-V378 HydrophobicContact CD2-CG1 4.46Å; F370-V378 PolarHBondContact N-O 3.24Å; W371-V378 HydrophobicContact CD2-CB 4.01Å; W371-V378 HydrophobicContact CD2-CG2 4Å; W371-V378 HydrophobicContact CE3-CB 4.42Å; W371-V378 HydrophobicContact CE3-CG2 4.07Å; W371-V378 HydrophobicContact CH2-CB 4.35Å; W371-V378 HydrophobicContact CH2-CG2 3.31Å; W371-V378 HydrophobicContact CZ2-CB 3.92Å; W371-V378 HydrophobicContact CZ2-CG1 4.38Å; W371-V378 HydrophobicContact CZ2-CG2 3.21Å; W371-V378 HydrophobicContact CZ3-CG2 3.75Å; W371-V378 PolarHBondContact O-N 3.49Å; V378-M755 HydrophobicContact CG1-CE 3.14Å; V378-M755 HydrophobicContact CG1-CG 3.97Å; V378-M755 HydrophobicContact CG1-SD 4.39Å; V378-I757 HydrophobicContact CG2-CB 4.48Å; V378-I757 HydrophobicContact CG2-CG1 3.97Å; V378-I757 HydrophobicContact CG2-CG2 4.25Å |
| 379 | S | 85.5 | Confident | 83.7 | Confident | 5 Ų | 5 | 44.8 Ų | 44.8 | 4% | 0.035 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 144.8 | -175.7 | -53.1 | 0 | 0 | 0 | 0 | 109.7 | V368 V756 | V368-S379 CarbonylContact O-C 3.59Å; V368-S379 VanDerWaalsContact O-CA 3.3Å; V368-S379 WeakPolarHBondContact O-CA 3.38Å; S379-V756 PolarHBondContact N-O 3.38Å; S379-V756 PolarHBondContact O-N 3.5Å |
| 380 | A | 88.5 | Confident | 83.9 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 130.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | G367 V368 F370 L741 L754 | G367-A380 WeakPolarHBondContact CA-O 3.31Å; V368-A380 PolarHBondContact N-O 3.43Å; V368-A380 PolarHBondContact O-N 2.8Å; F370-A380 HydrophobicContact CD2-CB 4.15Å; F370-A380 HydrophobicContact CE2-CB 3.43Å; F370-A380 VanDerWaalsContact CE2-CB 3.43Å; F370-A380 HydrophobicContact CZ-CB 4.22Å; A380-L741 HydrophobicContact CB-CD2 3.79Å; A380-L754 CarbonylContact C-O 3.35Å; A380-L754 VanDerWaalsContact CA-O 3.27Å; A380-L754 WeakPolarHBondContact CA-O 3.41Å |
| 381 | Y | 91 | Very high | 84 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 127.7 | -178.4 | -63.4 | -86.2 | 0 | 0 | 0 | 110.1 | L363 E364 V420 G753 L754 V756 K758 | L363-Y381 HydrophobicContact CB-CD1 4.2Å; L363-Y381 HydrophobicContact CB-CE1 4.48Å; L363-Y381 WeakPolarHBondContact O-CD1 3.17Å; L363-Y381 VanDerWaalsContact O-CE1 3.24Å; L363-Y381 WeakPolarHBondContact O-CE1 3.42Å; E364-Y381 PolarHBondContact OE2-OH 3.43Å; Y381-V420 HydrophobicContact CD1-CG2 4.26Å; Y381-V420 HydrophobicContact CD2-CG1 4.2Å; Y381-V420 HydrophobicContact CD2-CG2 4.08Å; Y381-V420 HydrophobicContact CE1-CG2 4.27Å; Y381-V420 HydrophobicContact CE2-CG2 4.12Å; Y381-V420 HydrophobicContact CG-CG1 4.03Å; Y381-V420 HydrophobicContact CG-CG2 4.17Å; Y381-G753 CarbonylContact O-C 3.59Å; Y381-G753 WeakPolarHBondContact O-CA 3.2Å; Y381-L754 PolarHBondContact N-O 2.91Å; Y381-L754 PolarHBondContact O-N 3Å; Y381-V756 HydrophobicContact CD2-CB 4.17Å; Y381-V756 HydrophobicContact CD2-CG2 3.7Å; Y381-V756 HydrophobicContact CE2-CB 3.86Å; Y381-V756 HydrophobicContact CE2-CG2 3.88Å; Y381-K758 WeakPolarHBondContact OH-CE 3.1Å; Y381-K758 PolarHBondContact OH-NZ 3Å |
| 382 | P | 90.1 | Very high | 84.1 | Confident | 43 Ų | 43 | 37.1 Ų | 37.1 | 28% | 0.279 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 136 | -177.9 | 25.7 | -33.8 | 0 | 0 | 0 | 112.1 | S366 L741 | S366-P382 WeakPolarHBondContact O-CD 3.38Å; P382-L741 HydrophobicContact CB-CD1 4.38Å |
| 383 | L | 88.6 | Confident | 84.4 | Confident | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.016 | 17% | 0.171 | C | C | . | . | trans | -90.7 | -18 | -175 | -73.1 | 171.6 | 0 | 0 | 0 | 114.1 | A385 L386 D387 L424 Y737 S738 R752 L754 | L383-A385 VanDerWaalsContact C-N 3.3Å; L383-A385 PolarHBondContact O-N 3.17Å; L383-A385 VanDerWaalsContact O-N 3.12Å; L383-L386 PolarHBondContact O-N 3.15Å; L383-D387 HydrophobicContact CB-CB 3.99Å; L383-D387 HydrophobicContact CD2-CB 4.03Å; L383-D387 WeakPolarHBondContact O-CB 3.46Å; L383-D387 PolarHBondContact O-N 3.4Å; L383-L424 HydrophobicContact CD2-CD1 3.8Å; L383-L424 HydrophobicContact CD2-CD2 4.36Å; L383-Y737 HydrophobicContact CD1-CE2 4.09Å; L383-S738 VanDerWaalsContact CD1-CB 3.46Å; L383-R752 WeakPolarHBondContact CB-O 3.29Å; L383-R752 HydrophobicContact CD1-CB 4.35Å; L383-R752 PolarHBondContact N-O 3.47Å; L383-L754 HydrophobicContact CD2-CB 4.01Å; L383-L754 HydrophobicContact CG-CB 4.48Å | ||
| 384 | T | 84.9 | Confident | 84.9 | Confident | 72 Ų | 72 | 23.1 Ų | 23.1 | 44% | 0.442 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -42.2 | -168.2 | -47.4 | 0 | 0 | 0 | 0 | 114.3 | ||
| 385 | A | 84.2 | Confident | 85.2 | Confident | 42 Ų | 42 | 21.8 Ų | 21.8 | 35% | 0.347 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -12.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L347 L383 A400 | L347-A385 HydrophobicContact CD2-CB 3.88Å; L383-A385 VanDerWaalsContact C-N 3.3Å; L383-A385 PolarHBondContact O-N 3.17Å; L383-A385 VanDerWaalsContact O-N 3.12Å; A385-A400 WeakPolarHBondContact O-CB 3.47Å; A385-A400 PolarHBondContact O-N 3.18Å |
| 386 | L | 89.7 | Confident | 85.8 | Confident | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -44.4 | -174.3 | -176.3 | 60.3 | 0 | 0 | 0 | 112.2 | F359 L363 L383 A400 L401 V420 V421 L424 | F359-L386 HydrophobicContact CE2-CD1 4.46Å; F359-L386 HydrophobicContact CZ-CD1 3.82Å; L363-L386 HydrophobicContact CD2-CD2 4.29Å; L383-L386 PolarHBondContact O-N 3.15Å; L386-A400 HydrophobicContact CD1-CB 3.9Å; L386-L401 VanDerWaalsContact O-CB 3.27Å; L386-L401 WeakPolarHBondContact O-CB 3.44Å; L386-L401 PolarHBondContact O-N 2.97Å; L386-V420 HydrophobicContact CD2-CG1 3.82Å; L386-V421 HydrophobicContact CD1-CG2 4.35Å; L386-L424 HydrophobicContact CD2-CD2 4.37Å; L386-L424 HydrophobicContact CG-CD2 4.17Å |
| 387 | D | 90.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -84.4 | 148.3 | -171.7 | -159.1 | -1.4 | 0 | 0 | 0 | 112.4 | L383 I389 S399 K428 Q734 Y737 | L383-D387 HydrophobicContact CB-CB 3.99Å; L383-D387 HydrophobicContact CD2-CB 4.03Å; L383-D387 WeakPolarHBondContact O-CB 3.46Å; L383-D387 PolarHBondContact O-N 3.4Å; D387-I389 PolarHBondContact O-N 3.28Å; D387-S399 WeakPolarHBondContact O-CB 3.36Å; D387-K428 WeakPolarHBondContact OD1-CE 3.49Å; D387-K428 IonicContact OD1-NZ 3.97Å; D387-K428 PolarHBondContact OD1-NZ 2.82Å; D387-Q734 PolarHBondContact OD2-NE2 3.21Å; D387-Q734 VanDerWaalsContact OD2-NE2 3.13Å; D387-Y737 PolarHBondContact OD2-OH 3.46Å | ||
| 388 | T | 90 | Very high | 85.9 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -74.3 | -14.5 | 172.8 | 47 | 0 | 0 | 0 | 0 | 112.7 | T395 N396 L401 M402 K428 I719 E722 | T388-T395 CarbonylContact O-C 3.59Å; T388-T395 VanDerWaalsContact O-CA 3.27Å; T388-T395 WeakPolarHBondContact O-CA 3.43Å; T388-N396 PolarHBondContact O-N 2.97Å; T388-L401 HydrophobicContact CG2-CB 4.24Å; T388-L401 HydrophobicContact CG2-CD2 4.09Å; T388-L401 HydrophobicContact CG2-CG 4.29Å; T388-M402 HydrophobicContact CG2-CB 4.25Å; T388-M402 HydrophobicContact CG2-CE 3.95Å; T388-K428 PolarHBondContact OG1-NZ 3.41Å; T388-I719 HydrophobicContact CG2-CD1 3.94Å; T388-I719 HydrophobicContact CG2-CG1 4.33Å; T388-E722 WeakPolarHBondContact CB-OE2 3.48Å; T388-E722 VanDerWaalsContact OG1-CD 3.26Å; T388-E722 PolarHBondContact OG1-OE1 3.01Å; T388-E722 PolarHBondContact OG1-OE2 3.42Å |
| 389 | I | 88.9 | Confident | 86.1 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -111.5 | 124 | -179.2 | -57.1 | 167.5 | 0 | 0 | 0 | 108.6 | D387 Y432 E722 L730 Q734 | D387-I389 PolarHBondContact O-N 3.28Å; I389-Y432 WeakPolarHBondContact CD1-OH 3.48Å; I389-E722 HydrophobicContact CD1-CG 4.47Å; I389-L730 HydrophobicContact CD1-CB 4.18Å; I389-L730 HydrophobicContact CD1-CD2 3.92Å; I389-L730 HydrophobicContact CG2-CB 4.3Å; I389-Q734 HydrophobicContact CG2-CB 4.37Å; I389-Q734 PolarHBondContact O-NE2 3.15Å |
| 390 | N | 86.8 | Confident | 86.2 | Confident | 39 Ų | 39 | 32.1 Ų | 32.1 | 21% | 0.209 | 19% | 0.185 | C | C | . | . | trans | -80.2 | 164.1 | 172.6 | -70.7 | -34.1 | 0 | 0 | 0 | 111 | D392 G393 S394 Q734 | N390-D392 WeakPolarHBondContact CB-OD1 3.39Å; N390-D392 PolarHBondContact O-N 3.42Å; N390-D392 VanDerWaalsContact O-N 3.09Å; N390-G393 WeakPolarHBondContact O-CA 3.37Å; N390-G393 PolarHBondContact O-N 3.45Å; N390-S394 WeakPolarHBondContact CB-OG 3.48Å; N390-S394 PolarHBondContact N-O 3.16Å; N390-S394 PolarHBondContact ND2-OG 3.39Å; N390-Q734 PolarHBondContact O-OE1 2.97Å | ||
| 391 | A | 81.9 | Confident | 86.4 | Confident | 40 Ų | 40 | 32.2 Ų | 32.2 | 33% | 0.331 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -24.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114 | G393 L749 | A391-G393 VanDerWaalsContact C-N 3.27Å; A391-L749 HydrophobicContact CB-CB 4.47Å |
| 392 | D | 82 | Confident | 86.3 | Confident | 66 Ų | 66 | 32.6 Ų | 32.6 | 35% | 0.353 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -5.3 | 174.7 | 76.9 | -43.1 | 0 | 0 | 0 | 113.2 | N390 S394 K727 | N390-D392 WeakPolarHBondContact CB-OD1 3.39Å; N390-D392 PolarHBondContact O-N 3.42Å; N390-D392 VanDerWaalsContact O-N 3.09Å; D392-S394 VanDerWaalsContact CG-OG 3.25Å; D392-S394 VanDerWaalsContact OD1-CB 3.32Å; D392-S394 WeakPolarHBondContact OD1-CB 3.47Å; D392-S394 PolarHBondContact OD1-N 3.31Å; D392-S394 PolarHBondContact OD1-OG 2.85Å; D392-S394 VanDerWaalsContact OD2-CB 3.23Å; D392-S394 WeakPolarHBondContact OD2-CB 3.14Å; D392-S394 PolarHBondContact OD2-OG 3.22Å; D392-S394 VanDerWaalsContact OD2-OG 3.13Å; D392-K727 WeakPolarHBondContact O-CE 3.08Å; D392-K727 WeakPolarHBondContact OD2-CE 3.38Å; D392-K727 IonicContact OD2-NZ 2.87Å; D392-K727 PolarHBondContact OD2-NZ 2.81Å |
| 393 | G | 83.2 | Confident | 86.2 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 87 | -2.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | N390 A391 K727 | N390-G393 WeakPolarHBondContact O-CA 3.37Å; N390-G393 PolarHBondContact O-N 3.45Å; A391-G393 VanDerWaalsContact C-N 3.27Å; G393-K727 VanDerWaalsContact O-CG 3.28Å; G393-K727 WeakPolarHBondContact O-CG 3.24Å |
| 394 | S | 85.9 | Confident | 86.2 | Confident | 32 Ų | 32 | 31.3 Ų | 31.3 | 22% | 0.224 | 18% | 0.179 | C | C | . | . | trans | -70.3 | 154 | 177.5 | 64.7 | 0 | 0 | 0 | 0 | 111.1 | N390 D392 | N390-S394 WeakPolarHBondContact CB-OG 3.48Å; N390-S394 PolarHBondContact N-O 3.16Å; N390-S394 PolarHBondContact ND2-OG 3.39Å; D392-S394 VanDerWaalsContact CG-OG 3.25Å; D392-S394 VanDerWaalsContact OD1-CB 3.32Å; D392-S394 WeakPolarHBondContact OD1-CB 3.47Å; D392-S394 PolarHBondContact OD1-N 3.31Å; D392-S394 PolarHBondContact OD1-OG 2.85Å; D392-S394 VanDerWaalsContact OD2-CB 3.23Å; D392-S394 WeakPolarHBondContact OD2-CB 3.14Å; D392-S394 PolarHBondContact OD2-OG 3.22Å; D392-S394 VanDerWaalsContact OD2-OG 3.13Å | ||
| 395 | T | 84.8 | Confident | 86.4 | Confident | 60 Ų | 60 | 29 Ų | 29 | 37% | 0.368 | 16% | 0.164 | S | C | . | . | B | Isolated β-bridge | trans | -86.4 | 125.8 | 176.8 | 49.7 | 0 | 0 | 0 | 0 | 111 | T388 L730 | T388-T395 CarbonylContact O-C 3.59Å; T388-T395 VanDerWaalsContact O-CA 3.27Å; T388-T395 WeakPolarHBondContact O-CA 3.43Å; T395-L730 HydrophobicContact CG2-CD1 4.31Å |
| 396 | N | 83.9 | Confident | 86.4 | Confident | 36 Ų | 36 | 33 Ų | 33 | 19% | 0.193 | 17% | 0.173 | C | C | . | . | trans | -95.2 | 105.7 | 175.6 | -172.1 | -5 | 0 | 0 | 0 | 110.9 | T388 D398 S399 | T388-N396 PolarHBondContact O-N 2.97Å; N396-D398 VanDerWaalsContact C-N 3.29Å; N396-D398 PolarHBondContact O-N 3.37Å; N396-D398 PolarHBondContact OD1-N 2.84Å; N396-S399 WeakPolarHBondContact O-CB 3.33Å; N396-S399 PolarHBondContact O-N 3.11Å; N396-S399 PolarHBondContact O-OG 3.42Å; N396-S399 PolarHBondContact OD1-N 3.18Å | ||
| 397 | W | 79.3 | Confident | 86.1 | Confident | 113 Ų | 113 | 33.4 Ų | 33.4 | 43% | 0.428 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -16.5 | 179.5 | -62.3 | 106.9 | 0 | 0 | 0 | 114.4 | M402 | W397-M402 HydrophobicContact CE3-CE 3.57Å; W397-M402 HydrophobicContact CE3-CG 4.28Å; W397-M402 HydrophobicContact CE3-SD 4.01Å; W397-M402 HydrophobicContact CZ3-CE 3.54Å; W397-M402 HydrophobicContact CZ3-SD 4.14Å; W397-M402 VanDerWaalsContact O-CG 3.28Å; W397-M402 WeakPolarHBondContact O-CG 3.45Å |
| 398 | D | 80.9 | Confident | 85.3 | Confident | 120 Ų | 120 | 38.6 Ų | 38.6 | 64% | 0.642 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | 7.4 | 179.3 | -64.9 | -28 | 0 | 0 | 0 | 112.2 | N396 | N396-D398 VanDerWaalsContact C-N 3.29Å; N396-D398 PolarHBondContact O-N 3.37Å; N396-D398 PolarHBondContact OD1-N 2.84Å |
| 399 | S | 88.2 | Confident | 84.7 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -59.2 | 151.1 | 173.6 | 58.1 | 0 | 0 | 0 | 0 | 112 | D387 N396 L401 M402 T403 | D387-S399 WeakPolarHBondContact O-CB 3.36Å; N396-S399 WeakPolarHBondContact O-CB 3.33Å; N396-S399 PolarHBondContact O-N 3.11Å; N396-S399 PolarHBondContact O-OG 3.42Å; N396-S399 PolarHBondContact OD1-N 3.18Å; S399-L401 VanDerWaalsContact C-N 3.28Å; S399-L401 PolarHBondContact O-N 3.15Å; S399-M402 PolarHBondContact O-N 3.46Å; S399-M402 VanDerWaalsContact OG-CB 3.24Å; S399-M402 WeakPolarHBondContact OG-CB 3.15Å; S399-M402 PolarHBondContact OG-N 2.72Å; S399-T403 PolarHBondContact O-N 3.41Å; S399-T403 PolarHBondContact O-OG1 3.13Å |
| 400 | A | 88 | Confident | 84.4 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 2% | 0.017 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -54.3 | -46.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | T351 F359 A385 L386 M402 T403 I404 | T351-A400 HydrophobicContact CG2-CB 3.52Å; F359-A400 HydrophobicContact CE2-CB 4.1Å; F359-A400 HydrophobicContact CZ-CB 4.45Å; A385-A400 WeakPolarHBondContact O-CB 3.47Å; A385-A400 PolarHBondContact O-N 3.18Å; L386-A400 HydrophobicContact CD1-CB 3.9Å; A400-M402 PolarHBondContact O-N 3.23Å; A400-T403 PolarHBondContact O-N 3.31Å; A400-I404 WeakPolarHBondContact O-CD1 3.29Å; A400-I404 WeakPolarHBondContact O-CG1 3.47Å; A400-I404 PolarHBondContact O-N 3.1Å |
| 401 | L | 91 | Very high | 84.3 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.6 | -44 | 180 | -177.1 | 61.9 | 0 | 0 | 0 | 112.4 | L386 T388 S399 I404 I405 V421 L424 L425 | L386-L401 VanDerWaalsContact O-CB 3.27Å; L386-L401 WeakPolarHBondContact O-CB 3.44Å; L386-L401 PolarHBondContact O-N 2.97Å; T388-L401 HydrophobicContact CG2-CB 4.24Å; T388-L401 HydrophobicContact CG2-CD2 4.09Å; T388-L401 HydrophobicContact CG2-CG 4.29Å; S399-L401 VanDerWaalsContact C-N 3.28Å; S399-L401 PolarHBondContact O-N 3.15Å; L401-I404 PolarHBondContact O-N 3.01Å; L401-I405 HydrophobicContact CD1-CD1 3.86Å; L401-I405 HydrophobicContact CG-CD1 3.99Å; L401-I405 WeakPolarHBondContact O-CD1 3.35Å; L401-I405 WeakPolarHBondContact O-CG1 3.36Å; L401-I405 PolarHBondContact O-N 2.97Å; L401-I405 VanDerWaalsContact O-N 3.16Å; L401-V421 HydrophobicContact CD1-CG1 4.04Å; L401-L424 HydrophobicContact CD2-CD2 4.4Å; L401-L425 HydrophobicContact CD1-CD2 4.26Å; L401-L425 HydrophobicContact CD2-CD2 4.28Å |
| 402 | M | 90.3 | Very high | 84.6 | Confident | 10 Ų | 10 | 46.3 Ų | 46.3 | 5% | 0.049 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.3 | -40 | 177.5 | -173.5 | 63.9 | 65.8 | 0 | 0 | 111.9 | T388 W397 S399 A400 I405 K406 I719 | T388-M402 HydrophobicContact CG2-CB 4.25Å; T388-M402 HydrophobicContact CG2-CE 3.95Å; W397-M402 HydrophobicContact CE3-CE 3.57Å; W397-M402 HydrophobicContact CE3-CG 4.28Å; W397-M402 HydrophobicContact CE3-SD 4.01Å; W397-M402 HydrophobicContact CZ3-CE 3.54Å; W397-M402 HydrophobicContact CZ3-SD 4.14Å; W397-M402 VanDerWaalsContact O-CG 3.28Å; W397-M402 WeakPolarHBondContact O-CG 3.45Å; S399-M402 PolarHBondContact O-N 3.46Å; S399-M402 VanDerWaalsContact OG-CB 3.24Å; S399-M402 WeakPolarHBondContact OG-CB 3.15Å; S399-M402 PolarHBondContact OG-N 2.72Å; A400-M402 PolarHBondContact O-N 3.23Å; M402-I405 PolarHBondContact O-N 2.97Å; M402-K406 HydrophobicContact CG-CD 4.12Å; M402-K406 WeakPolarHBondContact O-CB 3.4Å; M402-K406 WeakPolarHBondContact O-CG 3.2Å; M402-K406 PolarHBondContact O-N 3.25Å; M402-I719 HydrophobicContact CE-CD1 3.77Å; M402-I719 HydrophobicContact CE-CG2 3.75Å; M402-I719 HydrophobicContact SD-CD1 3.98Å; M402-I719 HydrophobicContact SD-CG2 4.4Å |
| 403 | T | 87.6 | Confident | 84.7 | Confident | 19 Ų | 19 | 46.5 Ų | 46.5 | 12% | 0.117 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.6 | -43 | 177.7 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | K352 S399 A400 I405 K406 G407 | K352-T403 HydrophobicContact CB-CG2 4.28Å; K352-T403 HydrophobicContact CG-CG2 3.52Å; S399-T403 PolarHBondContact O-N 3.41Å; S399-T403 PolarHBondContact O-OG1 3.13Å; A400-T403 PolarHBondContact O-N 3.31Å; T403-I405 VanDerWaalsContact C-N 3.33Å; T403-I405 PolarHBondContact O-N 3.19Å; T403-K406 PolarHBondContact O-N 3.08Å; T403-G407 PolarHBondContact O-N 2.9Å |
| 404 | I | 89.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.9 | -43.1 | 177.4 | -68 | 162.7 | 0 | 0 | 0 | 111.4 | T351 F359 A400 L401 G407 H412 M415 V416 | T351-I404 HydrophobicContact CG2-CD1 4.47Å; T351-I404 HydrophobicContact CG2-CG1 4.49Å; F359-I404 HydrophobicContact CZ-CD1 4.3Å; A400-I404 WeakPolarHBondContact O-CD1 3.29Å; A400-I404 WeakPolarHBondContact O-CG1 3.47Å; A400-I404 PolarHBondContact O-N 3.1Å; L401-I404 PolarHBondContact O-N 3.01Å; I404-G407 PolarHBondContact O-N 3.25Å; I404-H412 WeakPolarHBondContact CG2-O 3.2Å; I404-M415 HydrophobicContact CD1-CB 4.4Å; I404-M415 HydrophobicContact CD1-CG 3.7Å; I404-M415 HydrophobicContact CD1-SD 3.45Å; I404-M415 WeakPolarHBondContact CD1-SD 3.21Å; I404-M415 HydrophobicContact CG1-CB 4.41Å; I404-M415 HydrophobicContact CG1-CG 4.05Å; I404-M415 HydrophobicContact CG1-SD 3.43Å; I404-M415 WeakPolarHBondContact CG1-SD 3.27Å; I404-M415 HydrophobicContact CG2-CB 4.31Å; I404-V416 HydrophobicContact CG2-CG2 3.38Å |
| 405 | I | 87.4 | Confident | 84.9 | Confident | 23 Ų | 23 | 45.9 Ų | 45.9 | 12% | 0.118 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -76.7 | -32 | -177 | -69.5 | 158.3 | 0 | 0 | 0 | 112.2 | L401 M402 T403 G407 F712 A715 E716 I719 | L401-I405 HydrophobicContact CD1-CD1 3.86Å; L401-I405 HydrophobicContact CG-CD1 3.99Å; L401-I405 WeakPolarHBondContact O-CD1 3.35Å; L401-I405 WeakPolarHBondContact O-CG1 3.36Å; L401-I405 PolarHBondContact O-N 2.97Å; L401-I405 VanDerWaalsContact O-N 3.16Å; M402-I405 PolarHBondContact O-N 2.97Å; T403-I405 VanDerWaalsContact C-N 3.33Å; T403-I405 PolarHBondContact O-N 3.19Å; I405-G407 PolarHBondContact O-N 3.15Å; I405-F712 WeakPolarHBondContact O-CZ 3.16Å; I405-A715 HydrophobicContact CD1-CB 3.67Å; I405-A715 HydrophobicContact CG1-CB 3.98Å; I405-E716 HydrophobicContact CG2-CB 4.4Å; I405-E716 HydrophobicContact CG2-CG 4.43Å; I405-I719 HydrophobicContact CB-CD1 4.37Å; I405-I719 HydrophobicContact CD1-CD1 3.18Å; I405-I719 HydrophobicContact CD1-CG1 3.89Å; I405-I719 HydrophobicContact CG1-CD1 4.36Å; I405-I719 HydrophobicContact CG2-CD1 4.48Å |
| 406 | K | 85.7 | Confident | 85.1 | Confident | 125 Ų | 125 | 43.1 Ų | 43.1 | 54% | 0.543 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -69.3 | -24.5 | 171.4 | -73.4 | 174.7 | 179 | 171.5 | 0 | 112.1 | M402 T403 | M402-K406 HydrophobicContact CG-CD 4.12Å; M402-K406 WeakPolarHBondContact O-CB 3.4Å; M402-K406 WeakPolarHBondContact O-CG 3.2Å; M402-K406 PolarHBondContact O-N 3.25Å; T403-K406 PolarHBondContact O-N 3.08Å |
| 407 | G | 82.2 | Confident | 85.1 | Confident | 12 Ų | 12 | 43 Ų | 43 | 12% | 0.124 | 24% | 0.235 | C | C | . | . | trans | -69.5 | 126 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T403 I404 I405 | T403-G407 PolarHBondContact O-N 2.9Å; I404-G407 PolarHBondContact O-N 3.25Å; I405-G407 PolarHBondContact O-N 3.15Å | ||
| 408 | S | 73.6 | Confident | 85.5 | Confident | 109 Ų | 109 | 37.8 Ų | 37.8 | 76% | 0.762 | 22% | 0.216 | S | C | * | . | trans | -95.6 | 3.7 | 177.8 | -49.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 409 | T | 79.1 | Confident | 85.7 | Confident | 49 Ų | 49 | 37.2 Ų | 37.2 | 30% | 0.301 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -82.3 | 152.1 | -178.3 | 83.6 | 0 | 0 | 0 | 0 | 111.1 | D411 H412 M413 | T409-D411 PolarHBondContact O-N 3.36Å; T409-D411 PolarHBondContact OG1-N 3.43Å; T409-H412 PolarHBondContact O-N 2.85Å; T409-H412 VanDerWaalsContact O-N 3.13Å; T409-H412 PolarHBondContact OG1-N 3.41Å; T409-H412 PolarHBondContact OG1-ND1 3.36Å; T409-M413 PolarHBondContact O-N 3.07Å |
| 410 | P | 80.8 | Confident | 85.7 | Confident | 97 Ų | 97 | 37.4 Ų | 37.4 | 63% | 0.63 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -59.3 | -27.7 | 175.8 | 24.6 | -35.6 | 0 | 0 | 0 | 112.7 | M413 A414 | P410-M413 WeakPolarHBondContact O-CB 3.16Å; P410-M413 PolarHBondContact O-N 3.48Å; P410-A414 PolarHBondContact O-N 2.93Å |
| 411 | D | 84.6 | Confident | 85.8 | Confident | 85 Ų | 85 | 37.3 Ų | 37.3 | 46% | 0.455 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -69.3 | -36.6 | 178.4 | -54.1 | -36.7 | 0 | 0 | 0 | 111.9 | G354 T409 A414 M415 | G354-D411 VanDerWaalsContact O-CB 3.29Å; G354-D411 WeakPolarHBondContact O-CB 3.26Å; T409-D411 PolarHBondContact O-N 3.36Å; T409-D411 PolarHBondContact OG1-N 3.43Å; D411-A414 WeakPolarHBondContact O-CB 3.16Å; D411-A414 PolarHBondContact O-N 3.49Å; D411-M415 PolarHBondContact O-N 3.14Å |
| 412 | H | 88.2 | Confident | 85.6 | Confident | 12 Ų | 12 | 39.8 Ų | 39.8 | 6% | 0.056 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.1 | -40.8 | 171.9 | -66.6 | 95.1 | 0 | 0 | 0 | 111.3 | T351 K352 I404 T409 A414 M415 V416 | T351-H412 PolarHBondContact O-CD2 3.35Å; T351-H412 VanDerWaalsContact O-CD2 3.28Å; T351-H412 PolarHBondContact O-NE2 3.38Å; K352-H412 PolarHBondContact O-NE2 3.43Å; I404-H412 WeakPolarHBondContact CG2-O 3.2Å; T409-H412 PolarHBondContact O-N 2.85Å; T409-H412 VanDerWaalsContact O-N 3.13Å; T409-H412 PolarHBondContact OG1-N 3.41Å; T409-H412 PolarHBondContact OG1-ND1 3.36Å; H412-A414 VanDerWaalsContact C-N 3.27Å; H412-A414 PolarHBondContact O-N 3.16Å; H412-M415 WeakPolarHBondContact O-CB 3.39Å; H412-M415 PolarHBondContact O-N 3.45Å; H412-M415 VanDerWaalsContact O-N 3.11Å; H412-V416 PolarHBondContact O-N 2.94Å |
| 413 | M | 84.4 | Confident | 85.5 | Confident | 70 Ų | 70 | 42 Ų | 42 | 35% | 0.345 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61 | -38.4 | 174 | -61.1 | -176.3 | -176.8 | 0 | 0 | 111.7 | T409 P410 M415 V416 F712 | T409-M413 PolarHBondContact O-N 3.07Å; P410-M413 WeakPolarHBondContact O-CB 3.16Å; P410-M413 PolarHBondContact O-N 3.48Å; M413-M415 VanDerWaalsContact C-N 3.34Å; M413-V416 PolarHBondContact O-N 2.85Å; M413-F712 HydrophobicContact CB-CD2 4.48Å; M413-F712 HydrophobicContact CG-CD2 4Å; M413-F712 HydrophobicContact CG-CE2 4.32Å; M413-F712 HydrophobicContact CG-CG 4.41Å |
| 414 | A | 85.5 | Confident | 85.6 | Confident | 21 Ų | 21 | 41 Ų | 41 | 17% | 0.174 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.2 | -33.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K356 P410 D411 H412 V416 Q417 | K356-A414 HydrophobicContact CD-CB 4.29Å; K356-A414 WeakPolarHBondContact CD-O 3.4Å; P410-A414 PolarHBondContact O-N 2.93Å; D411-A414 WeakPolarHBondContact O-CB 3.16Å; D411-A414 PolarHBondContact O-N 3.49Å; H412-A414 VanDerWaalsContact C-N 3.27Å; H412-A414 PolarHBondContact O-N 3.16Å; A414-V416 VanDerWaalsContact C-N 3.33Å; A414-V416 PolarHBondContact O-N 2.92Å; A414-Q417 VanDerWaalsContact O-CB 3.29Å; A414-Q417 WeakPolarHBondContact O-CB 3.41Å; A414-Q417 PolarHBondContact O-N 2.81Å |
| 415 | M | 88.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.2 | -31.5 | 178.6 | -165.3 | 176.2 | -71 | 0 | 0 | 113 | T351 R355 F359 I404 D411 H412 M413 Q417 S418 | T351-M415 HydrophobicContact CG2-SD 4.05Å; R355-M415 VanDerWaalsContact C-CE 3.47Å; F359-M415 HydrophobicContact CB-CE 4.03Å; F359-M415 HydrophobicContact CB-SD 4.35Å; F359-M415 HydrophobicContact CD1-CG 3.72Å; F359-M415 HydrophobicContact CD1-SD 3.92Å; F359-M415 HydrophobicContact CD2-SD 4.23Å; F359-M415 HydrophobicContact CE1-CG 3.95Å; F359-M415 HydrophobicContact CE1-SD 4.23Å; F359-M415 HydrophobicContact CG-CE 4.24Å; F359-M415 HydrophobicContact CG-CG 4.29Å; F359-M415 HydrophobicContact CG-SD 3.9Å; I404-M415 HydrophobicContact CD1-CB 4.4Å; I404-M415 HydrophobicContact CD1-CG 3.7Å; I404-M415 HydrophobicContact CD1-SD 3.45Å; I404-M415 WeakPolarHBondContact CD1-SD 3.21Å; I404-M415 HydrophobicContact CG1-CB 4.41Å; I404-M415 HydrophobicContact CG1-CG 4.05Å; I404-M415 HydrophobicContact CG1-SD 3.43Å; I404-M415 WeakPolarHBondContact CG1-SD 3.27Å; I404-M415 HydrophobicContact CG2-CB 4.31Å; D411-M415 PolarHBondContact O-N 3.14Å; H412-M415 WeakPolarHBondContact O-CB 3.39Å; H412-M415 PolarHBondContact O-N 3.45Å; H412-M415 VanDerWaalsContact O-N 3.11Å; M413-M415 VanDerWaalsContact C-N 3.34Å; M415-Q417 PolarHBondContact O-N 2.78Å; M415-S418 VanDerWaalsContact O-CB 3.29Å; M415-S418 WeakPolarHBondContact O-CB 3.1Å; M415-S418 PolarHBondContact O-N 2.83Å |
| 416 | V | 88.5 | Confident | 85.5 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -25.2 | 171.5 | -179.2 | 0 | 0 | 0 | 0 | 111.8 | I404 H412 M413 A414 S418 L425 R711 F712 A715 | I404-V416 HydrophobicContact CG2-CG2 3.38Å; H412-V416 PolarHBondContact O-N 2.94Å; M413-V416 PolarHBondContact O-N 2.85Å; A414-V416 VanDerWaalsContact C-N 3.33Å; A414-V416 PolarHBondContact O-N 2.92Å; V416-S418 PolarHBondContact O-N 3.28Å; V416-L425 HydrophobicContact CG1-CD1 3.85Å; V416-R711 HydrophobicContact CG1-CB 4.21Å; V416-F712 HydrophobicContact CG2-CD2 3.96Å; V416-A715 HydrophobicContact CG1-CB 4.3Å |
| 417 | Q | 84.8 | Confident | 85.5 | Confident | 35 Ų | 35 | 36.9 Ų | 36.9 | 16% | 0.164 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 6.3 | 174.3 | -52.2 | -170.6 | -56.9 | 0 | 0 | 113.9 | A414 M415 D419 Q422 K708 | A414-Q417 VanDerWaalsContact O-CB 3.29Å; A414-Q417 WeakPolarHBondContact O-CB 3.41Å; A414-Q417 PolarHBondContact O-N 2.81Å; M415-Q417 PolarHBondContact O-N 2.78Å; Q417-D419 PolarHBondContact O-N 3.32Å; Q417-Q422 PolarHBondContact O-NE2 3.23Å; Q417-K708 VanDerWaalsContact CD-CG 3.45Å; Q417-K708 HydrophobicContact CG-CG 4.33Å |
| 418 | S | 87.2 | Confident | 85.8 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -61.8 | 136.5 | 169 | 173.8 | 0 | 0 | 0 | 0 | 110.4 | E360 M415 V416 V420 V421 Q422 | E360-S418 VanDerWaalsContact OE1-CA 3.29Å; E360-S418 WeakPolarHBondContact OE1-CA 3.17Å; E360-S418 WeakPolarHBondContact OE1-CB 3.38Å; M415-S418 VanDerWaalsContact O-CB 3.29Å; M415-S418 WeakPolarHBondContact O-CB 3.1Å; M415-S418 PolarHBondContact O-N 2.83Å; V416-S418 PolarHBondContact O-N 3.28Å; S418-V420 PolarHBondContact O-N 3.41Å; S418-V421 PolarHBondContact O-N 3.49Å; S418-V421 VanDerWaalsContact O-N 3.11Å; S418-Q422 WeakPolarHBondContact O-CG 3.2Å; S418-Q422 PolarHBondContact O-N 3.1Å |
| 419 | D | 84.5 | Confident | 86.2 | Confident | 107 Ų | 107 | 34 Ų | 34 | 57% | 0.572 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -56.5 | -37.1 | -176.8 | -69.2 | -23 | 0 | 0 | 0 | 112.6 | Q417 R423 | Q417-D419 PolarHBondContact O-N 3.32Å; D419-R423 WeakPolarHBondContact O-CB 3.37Å; D419-R423 PolarHBondContact O-N 2.84Å |
| 420 | V | 88.8 | Confident | 86.3 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.024 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.2 | -44.7 | 178.4 | -176.1 | 0 | 0 | 0 | 0 | 110.8 | L363 Y381 L386 S418 R423 L424 L754 | L363-V420 HydrophobicContact CD1-CB 4.03Å; L363-V420 HydrophobicContact CD1-CG1 4.28Å; L363-V420 HydrophobicContact CD1-CG2 4.26Å; Y381-V420 HydrophobicContact CD1-CG2 4.26Å; Y381-V420 HydrophobicContact CD2-CG1 4.2Å; Y381-V420 HydrophobicContact CD2-CG2 4.08Å; Y381-V420 HydrophobicContact CE1-CG2 4.27Å; Y381-V420 HydrophobicContact CE2-CG2 4.12Å; Y381-V420 HydrophobicContact CG-CG1 4.03Å; Y381-V420 HydrophobicContact CG-CG2 4.17Å; L386-V420 HydrophobicContact CD2-CG1 3.82Å; S418-V420 PolarHBondContact O-N 3.41Å; V420-R423 PolarHBondContact O-N 2.77Å; V420-L424 WeakPolarHBondContact O-CB 3.28Å; V420-L424 PolarHBondContact O-N 2.82Å; V420-L754 HydrophobicContact CG1-CD2 4.11Å; V420-L754 WeakPolarHBondContact O-CD2 3.33Å |
| 421 | V | 90.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.6 | -42 | 179.2 | 178.1 | 0 | 0 | 0 | 0 | 110.8 | F359 L386 L401 S418 R423 L424 L425 | F359-V421 HydrophobicContact CE1-CG2 3.97Å; F359-V421 HydrophobicContact CZ-CG2 4.23Å; L386-V421 HydrophobicContact CD1-CG2 4.35Å; L401-V421 HydrophobicContact CD1-CG1 4.04Å; S418-V421 PolarHBondContact O-N 3.49Å; S418-V421 VanDerWaalsContact O-N 3.11Å; V421-R423 VanDerWaalsContact C-N 3.35Å; V421-R423 PolarHBondContact O-N 3.45Å; V421-L424 WeakPolarHBondContact O-CB 3.33Å; V421-L424 PolarHBondContact O-N 3.35Å; V421-L425 HydrophobicContact CG1-CD1 4.08Å; V421-L425 HydrophobicContact CG1-CG 4.43Å; V421-L425 WeakPolarHBondContact O-CB 3.48Å; V421-L425 WeakPolarHBondContact O-CG 3.33Å; V421-L425 PolarHBondContact O-N 3.13Å |
| 422 | Q | 87 | Confident | 85.7 | Confident | 54 Ų | 54 | 28.2 Ų | 28.2 | 25% | 0.252 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -59.2 | -46.9 | 174 | -72.4 | 178.9 | 57.5 | 0 | 0 | 111.7 | Q417 S418 L424 L425 A426 R711 | Q417-Q422 PolarHBondContact O-NE2 3.23Å; S418-Q422 WeakPolarHBondContact O-CG 3.2Å; S418-Q422 PolarHBondContact O-N 3.1Å; Q422-L424 VanDerWaalsContact C-N 3.32Å; Q422-L424 PolarHBondContact O-N 2.98Å; Q422-L425 PolarHBondContact O-N 3.36Å; Q422-A426 VanDerWaalsContact O-CB 3.3Å; Q422-A426 WeakPolarHBondContact O-CB 3.43Å; Q422-A426 PolarHBondContact O-N 2.97Å; Q422-R711 VanDerWaalsContact OE1-CZ 3.32Å |
| 423 | R | 87.1 | Confident | 84.7 | Confident | 55 Ų | 55 | 27.7 Ų | 27.7 | 21% | 0.208 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.6 | -40 | 179.4 | -175.1 | 67 | -156.9 | -152.4 | 3.1 | 111.3 | D419 V420 V421 A426 D427 L754 V756 | D419-R423 WeakPolarHBondContact O-CB 3.37Å; D419-R423 PolarHBondContact O-N 2.84Å; V420-R423 PolarHBondContact O-N 2.77Å; V421-R423 VanDerWaalsContact C-N 3.35Å; V421-R423 PolarHBondContact O-N 3.45Å; R423-A426 PolarHBondContact O-N 3.3Å; R423-D427 IonicContact CZ-OD1 3.37Å; R423-D427 VanDerWaalsContact CZ-OD1 3.27Å; R423-D427 IonicContact NE-OD1 3.76Å; R423-D427 PolarHBondContact NE-OD1 2.81Å; R423-D427 IonicContact NE-OD2 3.58Å; R423-D427 PolarHBondContact NE-OD2 2.97Å; R423-D427 IonicContact NH2-OD1 2.91Å; R423-D427 PolarHBondContact NH2-OD1 3.24Å; R423-D427 IonicContact NH2-OD2 3.99Å; R423-D427 WeakPolarHBondContact O-CB 3.31Å; R423-D427 PolarHBondContact O-N 3.13Å; R423-L754 HydrophobicContact CB-CD2 4.16Å; R423-L754 HydrophobicContact CG-CD2 4.2Å; R423-V756 HydrophobicContact CB-CG2 4.42Å; R423-V756 HydrophobicContact CG-CG2 4.25Å |
| 424 | L | 90.4 | Very high | 83.6 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.2 | -51.4 | 174.9 | -175.4 | 59.5 | 0 | 0 | 0 | 110.8 | L383 L386 L401 V420 V421 Q422 A426 D427 K428 Y737 L754 | L383-L424 HydrophobicContact CD2-CD1 3.8Å; L383-L424 HydrophobicContact CD2-CD2 4.36Å; L386-L424 HydrophobicContact CD2-CD2 4.37Å; L386-L424 HydrophobicContact CG-CD2 4.17Å; L401-L424 HydrophobicContact CD2-CD2 4.4Å; V420-L424 WeakPolarHBondContact O-CB 3.28Å; V420-L424 PolarHBondContact O-N 2.82Å; V421-L424 WeakPolarHBondContact O-CB 3.33Å; V421-L424 PolarHBondContact O-N 3.35Å; Q422-L424 VanDerWaalsContact C-N 3.32Å; Q422-L424 PolarHBondContact O-N 2.98Å; L424-A426 VanDerWaalsContact C-N 3.33Å; L424-A426 PolarHBondContact O-N 3.17Å; L424-D427 PolarHBondContact O-N 3.42Å; L424-K428 HydrophobicContact CD1-CG 4.43Å; L424-K428 HydrophobicContact CG-CD 4.36Å; L424-K428 WeakPolarHBondContact O-CB 3.19Å; L424-K428 VanDerWaalsContact O-CG 3.25Å; L424-K428 WeakPolarHBondContact O-CG 3.35Å; L424-K428 PolarHBondContact O-N 2.89Å; L424-Y737 HydrophobicContact CD1-CD2 4.11Å; L424-Y737 HydrophobicContact CD1-CE2 3.85Å; L424-L754 HydrophobicContact CB-CD2 3.82Å; L424-L754 HydrophobicContact CD1-CD1 4.23Å; L424-L754 HydrophobicContact CD1-CD2 4.35Å |
| 425 | L | 89 | Confident | 82.4 | Confident | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63 | -39.1 | 179.5 | -72.4 | 174.1 | 0 | 0 | 0 | 112.3 | L401 V416 V421 Q422 W429 A715 V718 | L401-L425 HydrophobicContact CD1-CD2 4.26Å; L401-L425 HydrophobicContact CD2-CD2 4.28Å; V416-L425 HydrophobicContact CG1-CD1 3.85Å; V421-L425 HydrophobicContact CG1-CD1 4.08Å; V421-L425 HydrophobicContact CG1-CG 4.43Å; V421-L425 WeakPolarHBondContact O-CB 3.48Å; V421-L425 WeakPolarHBondContact O-CG 3.33Å; V421-L425 PolarHBondContact O-N 3.13Å; Q422-L425 PolarHBondContact O-N 3.36Å; L425-W429 VanDerWaalsContact O-CB 3.29Å; L425-W429 WeakPolarHBondContact O-CB 3.41Å; L425-W429 PolarHBondContact O-N 2.73Å; L425-A715 HydrophobicContact CD1-CB 3.56Å; L425-A715 HydrophobicContact CD2-CB 3.98Å; L425-A715 HydrophobicContact CG-CB 4.44Å; L425-V718 HydrophobicContact CD2-CB 4.3Å; L425-V718 HydrophobicContact CD2-CG1 4.31Å; L425-V718 HydrophobicContact CD2-CG2 4.43Å |
| 426 | A | 85.6 | Confident | 81 | Confident | 46 Ų | 46 | 35.9 Ų | 35.9 | 38% | 0.38 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.3 | -49.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q422 R423 L424 K428 W429 T430 | Q422-A426 VanDerWaalsContact O-CB 3.3Å; Q422-A426 WeakPolarHBondContact O-CB 3.43Å; Q422-A426 PolarHBondContact O-N 2.97Å; R423-A426 PolarHBondContact O-N 3.3Å; L424-A426 VanDerWaalsContact C-N 3.33Å; L424-A426 PolarHBondContact O-N 3.17Å; A426-K428 PolarHBondContact O-N 3.16Å; A426-W429 WeakPolarHBondContact O-CB 3.2Å; A426-W429 PolarHBondContact O-N 3.41Å; A426-W429 VanDerWaalsContact O-N 3.16Å; A426-T430 WeakPolarHBondContact O-CG2 3.32Å; A426-T430 PolarHBondContact O-N 3.32Å |
| 427 | D | 85.8 | Confident | 79.5 | Confident | 9 Ų | 9 | 39.6 Ų | 39.6 | 5% | 0.048 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.2 | -42.4 | 178.8 | -75.7 | -6.3 | 0 | 0 | 0 | 111 | R423 L424 W429 T430 V431 R863 | R423-D427 IonicContact CZ-OD1 3.37Å; R423-D427 VanDerWaalsContact CZ-OD1 3.27Å; R423-D427 IonicContact NE-OD1 3.76Å; R423-D427 PolarHBondContact NE-OD1 2.81Å; R423-D427 IonicContact NE-OD2 3.58Å; R423-D427 PolarHBondContact NE-OD2 2.97Å; R423-D427 IonicContact NH2-OD1 2.91Å; R423-D427 PolarHBondContact NH2-OD1 3.24Å; R423-D427 IonicContact NH2-OD2 3.99Å; R423-D427 WeakPolarHBondContact O-CB 3.31Å; R423-D427 PolarHBondContact O-N 3.13Å; L424-D427 PolarHBondContact O-N 3.42Å; D427-W429 VanDerWaalsContact C-N 3.33Å; D427-W429 PolarHBondContact O-N 3.07Å; D427-T430 PolarHBondContact O-N 2.68Å; D427-T430 VanDerWaalsContact O-N 3.16Å; D427-T430 PolarHBondContact O-OG1 3.32Å; D427-V431 WeakPolarHBondContact O-CG2 3.48Å; D427-V431 PolarHBondContact O-N 3.16Å; D427-V431 VanDerWaalsContact O-N 3.07Å; D427-R863 IonicContact OD2-CZ 2.94Å; D427-R863 IonicContact OD2-NH2 3.16Å; D427-R863 PolarHBondContact OD2-NH2 3.4Å |
| 428 | K | 87.8 | Confident | 78 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.3 | -46.7 | 171.2 | -74.4 | -171.1 | 169.3 | -166.1 | 0 | 111.6 | D387 T388 L424 A426 T430 V431 Y432 V718 E722 Y737 | D387-K428 WeakPolarHBondContact OD1-CE 3.49Å; D387-K428 IonicContact OD1-NZ 3.97Å; D387-K428 PolarHBondContact OD1-NZ 2.82Å; T388-K428 PolarHBondContact OG1-NZ 3.41Å; L424-K428 HydrophobicContact CD1-CG 4.43Å; L424-K428 HydrophobicContact CG-CD 4.36Å; L424-K428 WeakPolarHBondContact O-CB 3.19Å; L424-K428 VanDerWaalsContact O-CG 3.25Å; L424-K428 WeakPolarHBondContact O-CG 3.35Å; L424-K428 PolarHBondContact O-N 2.89Å; A426-K428 PolarHBondContact O-N 3.16Å; K428-T430 VanDerWaalsContact C-N 3.3Å; K428-T430 PolarHBondContact O-N 3.06Å; K428-V431 PolarHBondContact O-N 2.84Å; K428-V431 VanDerWaalsContact O-N 3.16Å; K428-Y432 HydrophobicContact CB-CD2 3.88Å; K428-Y432 HydrophobicContact CB-CE2 3.84Å; K428-Y432 HydrophobicContact CD-CE2 4.38Å; K428-Y432 HydrophobicContact CG-CD2 4.41Å; K428-Y432 HydrophobicContact CG-CE2 3.85Å; K428-Y432 WeakPolarHBondContact O-CD2 3.14Å; K428-Y432 PolarHBondContact O-N 3.29Å; K428-V718 HydrophobicContact CB-CG1 3.96Å; K428-V718 HydrophobicContact CD-CG1 3.85Å; K428-E722 WeakPolarHBondContact CD-OE1 3.22Å; K428-E722 WeakPolarHBondContact CE-OE1 3.47Å; K428-E722 IonicContact NZ-OE1 2.69Å; K428-E722 PolarHBondContact NZ-OE1 3.23Å; K428-Y737 HydrophobicContact CG-CE1 4.18Å |
| 429 | W | 83 | Confident | 76.5 | Confident | 61 Ų | 61 | 47 Ų | 47 | 23% | 0.231 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -61.5 | -36.9 | 177.6 | -175.2 | -97 | 0 | 0 | 0 | 112.7 | L425 A426 D427 V431 G433 W434 L714 M717 V718 L721 | L425-W429 VanDerWaalsContact O-CB 3.29Å; L425-W429 WeakPolarHBondContact O-CB 3.41Å; L425-W429 PolarHBondContact O-N 2.73Å; A426-W429 WeakPolarHBondContact O-CB 3.2Å; A426-W429 PolarHBondContact O-N 3.41Å; A426-W429 VanDerWaalsContact O-N 3.16Å; D427-W429 VanDerWaalsContact C-N 3.33Å; D427-W429 PolarHBondContact O-N 3.07Å; W429-V431 VanDerWaalsContact C-N 3.34Å; W429-G433 CarbonylContact O-C 3.59Å; W429-G433 WeakPolarHBondContact O-CA 3.35Å; W429-G433 PolarHBondContact O-N 2.72Å; W429-W434 PolarHBondContact O-N 3.43Å; W429-L714 HydrophobicContact CD2-CD1 3.89Å; W429-L714 HydrophobicContact CE3-CD1 3.56Å; W429-L714 HydrophobicContact CH2-CD1 4.29Å; W429-L714 HydrophobicContact CZ3-CD1 3.78Å; W429-M717 HydrophobicContact CH2-CE 3.51Å; W429-M717 HydrophobicContact CH2-SD 3.72Å; W429-M717 HydrophobicContact CZ3-CE 3.76Å; W429-M717 HydrophobicContact CZ3-CG 4.18Å; W429-M717 HydrophobicContact CZ3-SD 3.69Å; W429-V718 HydrophobicContact CE3-CG2 3.95Å; W429-L721 HydrophobicContact CZ3-CD1 4.15Å |
| 430 | T | 79.9 | Confident | 74.9 | Confident | 85 Ų | 85 | 47.3 Ų | 47.3 | 52% | 0.521 | 25% | 0.245 | S | C | . | . | I | π-helix | trans | -66.8 | -34.9 | 175.4 | 63.6 | 0 | 0 | 0 | 0 | 112.9 | A426 D427 K428 | A426-T430 WeakPolarHBondContact O-CG2 3.32Å; A426-T430 PolarHBondContact O-N 3.32Å; D427-T430 PolarHBondContact O-N 2.68Å; D427-T430 VanDerWaalsContact O-N 3.16Å; D427-T430 PolarHBondContact O-OG1 3.32Å; K428-T430 VanDerWaalsContact C-N 3.3Å; K428-T430 PolarHBondContact O-N 3.06Å |
| 431 | V | 79.9 | Confident | 73.2 | Confident | 20 Ų | 20 | 52.5 Ų | 52.5 | 12% | 0.121 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -79.9 | -44.4 | -179.1 | 176.9 | 0 | 0 | 0 | 0 | 112 | D427 K428 W429 F733 K736 Y737 | D427-V431 WeakPolarHBondContact O-CG2 3.48Å; D427-V431 PolarHBondContact O-N 3.16Å; D427-V431 VanDerWaalsContact O-N 3.07Å; K428-V431 PolarHBondContact O-N 2.84Å; K428-V431 VanDerWaalsContact O-N 3.16Å; W429-V431 VanDerWaalsContact C-N 3.34Å; V431-F733 HydrophobicContact CG1-CB 3.79Å; V431-F733 HydrophobicContact CG1-CD1 3.44Å; V431-F733 VanDerWaalsContact CG1-CD1 3.44Å; V431-F733 HydrophobicContact CG1-CE1 4.27Å; V431-F733 HydrophobicContact CG1-CG 3.94Å; V431-K736 HydrophobicContact CG1-CB 4.37Å; V431-K736 HydrophobicContact CG1-CD 4.08Å; V431-K736 HydrophobicContact CG2-CB 4.01Å; V431-Y737 HydrophobicContact CG2-CD1 4.33Å |
| 432 | Y | 74.5 | Confident | 71.5 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -105.9 | -50.7 | -172.6 | -47.7 | -73.1 | 0 | 0 | 0 | 113 | I389 K428 W434 V435 A436 Y725 L730 F733 Y737 | I389-Y432 WeakPolarHBondContact CD1-OH 3.48Å; K428-Y432 HydrophobicContact CB-CD2 3.88Å; K428-Y432 HydrophobicContact CB-CE2 3.84Å; K428-Y432 HydrophobicContact CD-CE2 4.38Å; K428-Y432 HydrophobicContact CG-CD2 4.41Å; K428-Y432 HydrophobicContact CG-CE2 3.85Å; K428-Y432 WeakPolarHBondContact O-CD2 3.14Å; K428-Y432 PolarHBondContact O-N 3.29Å; Y432-W434 PolarHBondContact O-N 3.3Å; Y432-V435 PolarHBondContact O-N 3.44Å; Y432-A436 WeakPolarHBondContact O-CB 3.33Å; Y432-A436 PolarHBondContact O-N 3.47Å; Y432-Y725 HydrophobicContact CD1-CD2 4.48Å; Y432-Y725 HydrophobicContact CD1-CE2 4.37Å; Y432-L730 HydrophobicContact CE1-CD2 4.36Å; Y432-F733 HydrophobicContact CD1-CB 3.91Å; Y432-F733 HydrophobicContact CD1-CD1 4.13Å; Y432-F733 AromaticContact CD1-CD2 3.52Å; Y432-F733 HydrophobicContact CD1-CD2 3.52Å; Y432-F733 HydrophobicContact CD1-CE1 4.47Å; Y432-F733 AromaticContact CD1-CE2 3.86Å; Y432-F733 HydrophobicContact CD1-CE2 3.86Å; Y432-F733 AromaticContact CD1-CG 3.62Å; Y432-F733 HydrophobicContact CD1-CG 3.62Å; Y432-F733 HydrophobicContact CD1-CZ 4.34Å; Y432-F733 HydrophobicContact CE1-CB 3.01Å; Y432-F733 HydrophobicContact CE1-CD1 4.05Å; Y432-F733 AromaticContact CE1-CD2 3.12Å; Y432-F733 HydrophobicContact CE1-CD2 3.12Å; Y432-F733 AromaticContact CE1-CE2 3.93Å; Y432-F733 HydrophobicContact CE1-CE2 3.93Å; Y432-F733 AromaticContact CE1-CG 3.15Å; Y432-F733 HydrophobicContact CE1-CG 3.15Å; Y432-F733 VanDerWaalsContact OH-CB 3.26Å; Y432-F733 WeakPolarHBondContact OH-CB 3.29Å; Y432-Y737 HydrophobicContact CE2-CE1 4.07Å; Y432-Y737 AromaticContact CZ-CE1 4Å; Y432-Y737 VanDerWaalsContact OH-CE1 3.32Å; Y432-Y737 WeakPolarHBondContact OH-CE1 3.07Å |
| 433 | G | 65.7 | Low | 69.9 | Low | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | I | π-helix | trans | -59.9 | -47.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | W429 V435 F437 | W429-G433 CarbonylContact O-C 3.59Å; W429-G433 WeakPolarHBondContact O-CA 3.35Å; W429-G433 PolarHBondContact O-N 2.72Å; G433-V435 PolarHBondContact O-N 3.25Å; G433-F437 VanDerWaalsContact O-CB 3.26Å; G433-F437 WeakPolarHBondContact O-CB 3.44Å; G433-F437 PolarHBondContact O-N 3.3Å |
| 434 | W | 62.3 | Low | 68.1 | Low | 162 Ų | 162 | 61.9 Ų | 61.9 | 61% | 0.614 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61.6 | -44.4 | 177.3 | -104.3 | 88.1 | 0 | 0 | 0 | 113 | W429 Y432 T438 | W429-W434 PolarHBondContact O-N 3.43Å; Y432-W434 PolarHBondContact O-N 3.3Å; W434-T438 HydrophobicContact CD2-CG2 4.29Å; W434-T438 HydrophobicContact CE3-CG2 3.29Å; W434-T438 HydrophobicContact CZ3-CG2 3.48Å; W434-T438 VanDerWaalsContact CZ3-CG2 3.48Å; W434-T438 VanDerWaalsContact O-CB 3.25Å; W434-T438 WeakPolarHBondContact O-CB 3.35Å; W434-T438 WeakPolarHBondContact O-CG2 3.39Å; W434-T438 PolarHBondContact O-N 3.05Å; W434-T438 PolarHBondContact O-OG1 2.9Å |
| 435 | V | 59.1 | Low | 66.5 | Low | 72 Ų | 72 | 65.6 Ų | 65.6 | 44% | 0.436 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -71 | -40.7 | -178.1 | -179.5 | 0 | 0 | 0 | 0 | 111.9 | Y432 G433 T438 I439 | Y432-V435 PolarHBondContact O-N 3.44Å; G433-V435 PolarHBondContact O-N 3.25Å; V435-T438 PolarHBondContact O-OG1 2.99Å; V435-I439 HydrophobicContact CG1-CD1 4.05Å; V435-I439 WeakPolarHBondContact O-CG1 3.47Å |
| 436 | A | 60.6 | Low | 64.8 | Low | 30 Ų | 30 | 71.1 Ų | 71.1 | 25% | 0.248 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.3 | -43.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y432 L721 Y725 | Y432-A436 WeakPolarHBondContact O-CB 3.33Å; Y432-A436 PolarHBondContact O-N 3.47Å; A436-L721 HydrophobicContact CB-CD2 3.91Å; A436-Y725 WeakPolarHBondContact CB-OH 3.09Å |
| 437 | F | 56.9 | Low | 63.6 | Low | 78 Ų | 78 | 74.5 Ų | 74.5 | 34% | 0.342 | 37% | 0.369 | S | S | . | . | I | π-helix | trans | -79.8 | -34.5 | -174 | -124.7 | -117.2 | 0 | 0 | 0 | 112.1 | G433 I439 I442 M717 | G433-F437 VanDerWaalsContact O-CB 3.26Å; G433-F437 WeakPolarHBondContact O-CB 3.44Å; G433-F437 PolarHBondContact O-N 3.3Å; F437-I439 PolarHBondContact O-N 3.31Å; F437-I442 HydrophobicContact CB-CD1 3.88Å; F437-I442 HydrophobicContact CB-CG1 4.13Å; F437-I442 HydrophobicContact CD1-CD1 3.62Å; F437-I442 HydrophobicContact CD1-CG1 3.27Å; F437-I442 HydrophobicContact CE1-CG1 3.96Å; F437-I442 HydrophobicContact CG-CD1 4.19Å; F437-I442 HydrophobicContact CG-CG1 4Å; F437-I442 VanDerWaalsContact O-CB 3.29Å; F437-I442 WeakPolarHBondContact O-CB 3.01Å; F437-I442 WeakPolarHBondContact O-CD1 3.48Å; F437-I442 WeakPolarHBondContact O-CG1 3.36Å; F437-I442 PolarHBondContact O-N 3.39Å; F437-M717 HydrophobicContact CD2-CE 3.67Å; F437-M717 HydrophobicContact CE2-CE 3.22Å; F437-M717 HydrophobicContact CZ-CE 3.94Å |
| 438 | T | 53.4 | Low | 62.5 | Low | 62 Ų | 62 | 78.5 Ų | 78.5 | 38% | 0.38 | 39% | 0.387 | S | S | . | . | I | π-helix | trans | -69.1 | -30.8 | -177.3 | 48.9 | 0 | 0 | 0 | 0 | 114.9 | W434 V435 I442 | W434-T438 HydrophobicContact CD2-CG2 4.29Å; W434-T438 HydrophobicContact CE3-CG2 3.29Å; W434-T438 HydrophobicContact CZ3-CG2 3.48Å; W434-T438 VanDerWaalsContact CZ3-CG2 3.48Å; W434-T438 VanDerWaalsContact O-CB 3.25Å; W434-T438 WeakPolarHBondContact O-CB 3.35Å; W434-T438 WeakPolarHBondContact O-CG2 3.39Å; W434-T438 PolarHBondContact O-N 3.05Å; W434-T438 PolarHBondContact O-OG1 2.9Å; V435-T438 PolarHBondContact O-OG1 2.99Å; T438-I442 HydrophobicContact CG2-CD1 4.49Å |
| 439 | I | 54.4 | Low | 61.5 | Low | 131 Ų | 131 | 81.7 Ų | 81.7 | 67% | 0.672 | 40% | 0.404 | S | S | * | . | I | π-helix | trans | -86.6 | -30.6 | -165.8 | -63.6 | 177.3 | 0 | 0 | 0 | 113.4 | V435 F437 | V435-I439 HydrophobicContact CG1-CD1 4.05Å; V435-I439 WeakPolarHBondContact O-CG1 3.47Å; F437-I439 PolarHBondContact O-N 3.31Å |
| 440 | D | 52.4 | Low | 60.9 | Low | 115 Ų | 115 | 83.7 Ų | 83.7 | 62% | 0.615 | 42% | 0.418 | S | S | * | . | I | π-helix | trans | -134.7 | -48.3 | -172.2 | -153.6 | 26.5 | 0 | 0 | 0 | 114.8 | ||
| 441 | H | 52.7 | Low | 60.6 | Low | 113 Ų | 113 | 84 Ų | 84 | 52% | 0.523 | 42% | 0.416 | S | S | . | . | I | π-helix | trans | -87.4 | -32 | -167.1 | -137.4 | -73.3 | 0 | 0 | 0 | 114.7 | F443 V445 | H441-F443 VanDerWaalsContact C-N 3.32Å; H441-F443 PolarHBondContact O-N 3Å; H441-V445 WeakPolarHBondContact ND1-CG2 3.41Å; H441-V445 WeakPolarHBondContact O-CB 3.48Å; H441-V445 WeakPolarHBondContact O-CG2 3.37Å; H441-V445 PolarHBondContact O-N 3.42Å |
| 442 | I | 53.7 | Low | 60.3 | Low | 46 Ų | 46 | 85.1 Ų | 85.1 | 24% | 0.236 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 175 | -76.7 | 175.4 | 0 | 0 | 0 | 110.4 | F437 T438 K446 | F437-I442 HydrophobicContact CB-CD1 3.88Å; F437-I442 HydrophobicContact CB-CG1 4.13Å; F437-I442 HydrophobicContact CD1-CD1 3.62Å; F437-I442 HydrophobicContact CD1-CG1 3.27Å; F437-I442 HydrophobicContact CE1-CG1 3.96Å; F437-I442 HydrophobicContact CG-CD1 4.19Å; F437-I442 HydrophobicContact CG-CG1 4Å; F437-I442 VanDerWaalsContact O-CB 3.29Å; F437-I442 WeakPolarHBondContact O-CB 3.01Å; F437-I442 WeakPolarHBondContact O-CD1 3.48Å; F437-I442 WeakPolarHBondContact O-CG1 3.36Å; F437-I442 PolarHBondContact O-N 3.39Å; T438-I442 HydrophobicContact CG2-CD1 4.49Å; I442-K446 HydrophobicContact CG2-CD 3.53Å; I442-K446 HydrophobicContact CG2-CG 3.95Å; I442-K446 WeakPolarHBondContact O-CA 3.42Å; I442-K446 WeakPolarHBondContact O-CB 3.48Å; I442-K446 VanDerWaalsContact O-CG 3.25Å; I442-K446 WeakPolarHBondContact O-CG 3.15Å; I442-K446 PolarHBondContact O-N 2.97Å |
| 443 | F | 52.6 | Low | 60.1 | Low | 148 Ų | 148 | 86.6 Ų | 86.6 | 65% | 0.649 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -67 | -43.8 | -176.8 | -168.6 | -100.8 | 0 | 0 | 0 | 110.9 | H441 K447 | H441-F443 VanDerWaalsContact C-N 3.32Å; H441-F443 PolarHBondContact O-N 3Å; F443-K447 HydrophobicContact CE1-CD 4.19Å; F443-K447 WeakPolarHBondContact O-CA 3.42Å; F443-K447 WeakPolarHBondContact O-CB 3.43Å; F443-K447 PolarHBondContact O-N 3.43Å |
| 444 | L | 51.1 | Low | 60.7 | Low | 112 Ų | 112 | 88.7 Ų | 88.7 | 59% | 0.586 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -69 | -48.3 | 178.1 | -97.4 | 157.1 | 0 | 0 | 0 | 113.3 | K447 H448 | L444-K447 PolarHBondContact O-N 3.4Å; L444-H448 VanDerWaalsContact O-CB 3.29Å; L444-H448 WeakPolarHBondContact O-CB 3.45Å; L444-H448 PolarHBondContact O-N 2.92Å |
| 445 | V | 55.4 | Low | 61.5 | Low | 77 Ų | 77 | 84.5 Ų | 84.5 | 47% | 0.467 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -72 | -39.9 | -179.4 | 175.6 | 0 | 0 | 0 | 0 | 111.6 | H441 H448 L449 | H441-V445 WeakPolarHBondContact ND1-CG2 3.41Å; H441-V445 WeakPolarHBondContact O-CB 3.48Å; H441-V445 WeakPolarHBondContact O-CG2 3.37Å; H441-V445 PolarHBondContact O-N 3.42Å; V445-H448 PolarHBondContact O-N 2.97Å; V445-L449 WeakPolarHBondContact O-CB 3.48Å; V445-L449 PolarHBondContact O-N 3.23Å |
| 446 | K | 54.5 | Low | 62.4 | Low | 122 Ų | 122 | 81.7 Ų | 81.7 | 53% | 0.53 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -68.6 | -37.9 | 172.9 | -69.1 | -171.6 | 180 | 172.1 | 0 | 111.3 | I442 I450 | I442-K446 HydrophobicContact CG2-CD 3.53Å; I442-K446 HydrophobicContact CG2-CG 3.95Å; I442-K446 WeakPolarHBondContact O-CA 3.42Å; I442-K446 WeakPolarHBondContact O-CB 3.48Å; I442-K446 VanDerWaalsContact O-CG 3.25Å; I442-K446 WeakPolarHBondContact O-CG 3.15Å; I442-K446 PolarHBondContact O-N 2.97Å; K446-I450 HydrophobicContact CB-CD1 4.22Å; K446-I450 WeakPolarHBondContact O-CA 3.4Å; K446-I450 WeakPolarHBondContact O-CB 3.16Å; K446-I450 VanDerWaalsContact O-CD1 3.28Å; K446-I450 WeakPolarHBondContact O-CD1 3.39Å; K446-I450 WeakPolarHBondContact O-CG1 3.43Å; K446-I450 PolarHBondContact O-N 3.38Å |
| 447 | K | 59.7 | Low | 63.4 | Low | 116 Ų | 116 | 84.2 Ų | 84.2 | 50% | 0.504 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 175.5 | -179.3 | 177.8 | 177.6 | -175.6 | 0 | 110.8 | F443 L444 I451 | F443-K447 HydrophobicContact CE1-CD 4.19Å; F443-K447 WeakPolarHBondContact O-CA 3.42Å; F443-K447 WeakPolarHBondContact O-CB 3.43Å; F443-K447 PolarHBondContact O-N 3.43Å; L444-K447 PolarHBondContact O-N 3.4Å; K447-I451 HydrophobicContact CD-CD1 4.42Å; K447-I451 HydrophobicContact CG-CD1 3.61Å; K447-I451 HydrophobicContact CG-CG1 4.37Å; K447-I451 VanDerWaalsContact O-CB 3.27Å; K447-I451 WeakPolarHBondContact O-CB 3.42Å; K447-I451 WeakPolarHBondContact O-CD1 3.33Å; K447-I451 WeakPolarHBondContact O-CG1 3.48Å; K447-I451 PolarHBondContact O-N 3.19Å |
| 448 | H | 63.4 | Low | 64.7 | Low | 93 Ų | 93 | 84.5 Ų | 84.5 | 43% | 0.431 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.8 | -55.2 | 175.2 | -157.7 | -104.7 | 0 | 0 | 0 | 109.6 | L444 V445 I450 I451 W452 Y504 | L444-H448 VanDerWaalsContact O-CB 3.29Å; L444-H448 WeakPolarHBondContact O-CB 3.45Å; L444-H448 PolarHBondContact O-N 2.92Å; V445-H448 PolarHBondContact O-N 2.97Å; H448-I450 PolarHBondContact O-N 3.3Å; H448-I451 PolarHBondContact O-N 3.32Å; H448-I451 VanDerWaalsContact O-N 3.11Å; H448-W452 AromaticContact CD2-NE1 3.73Å; H448-W452 AromaticContact CE1-CD1 3.6Å; H448-W452 AromaticContact CE1-CE2 3.58Å; H448-W452 AromaticContact CE1-CZ2 3.96Å; H448-W452 AromaticContact CE1-NE1 2.81Å; H448-W452 PolarHBondContact CE1-NE1 3.26Å; H448-W452 AromaticContact CG-CD1 3.74Å; H448-W452 AromaticContact CG-NE1 3.68Å; H448-W452 AromaticContact ND1-CD1 3.39Å; H448-W452 AromaticContact ND1-NE1 3.11Å; H448-W452 PolarHBondContact ND1-NE1 2.92Å; H448-W452 VanDerWaalsContact ND1-NE1 3.11Å; H448-W452 AromaticContact NE2-CD1 3.98Å; H448-W452 AromaticContact NE2-NE1 3.17Å; H448-W452 PolarHBondContact NE2-NE1 2.99Å; H448-W452 VanDerWaalsContact NE2-NE1 3.17Å; H448-W452 WeakPolarHBondContact O-CB 3.24Å; H448-W452 PolarHBondContact O-N 3.05Å; H448-Y504 PolarHBondContact NE2-OH 3.39Å |
| 449 | L | 67.1 | Low | 66.1 | Low | 67 Ų | 67 | 81.9 Ų | 81.9 | 35% | 0.351 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -53.8 | -47.5 | 176.4 | -173.9 | 67.2 | 0 | 0 | 0 | 112.4 | V445 W452 T453 A574 | V445-L449 WeakPolarHBondContact O-CB 3.48Å; V445-L449 PolarHBondContact O-N 3.23Å; L449-W452 PolarHBondContact O-N 2.93Å; L449-T453 HydrophobicContact CD1-CG2 4.41Å; L449-T453 HydrophobicContact CG-CG2 4.37Å; L449-T453 VanDerWaalsContact O-CG2 3.25Å; L449-T453 WeakPolarHBondContact O-CG2 3.29Å; L449-T453 PolarHBondContact O-N 3.1Å; L449-T453 PolarHBondContact O-OG1 3.11Å; L449-A574 HydrophobicContact CD1-CB 3.78Å; L449-A574 HydrophobicContact CD2-CB 3.95Å |
| 450 | I | 69.9 | Low | 67.5 | Low | 104 Ų | 104 | 75.9 Ų | 75.9 | 53% | 0.533 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 178.4 | -70.2 | 163.1 | 0 | 0 | 0 | 110.8 | K446 H448 W452 T453 A454 | K446-I450 HydrophobicContact CB-CD1 4.22Å; K446-I450 WeakPolarHBondContact O-CA 3.4Å; K446-I450 WeakPolarHBondContact O-CB 3.16Å; K446-I450 VanDerWaalsContact O-CD1 3.28Å; K446-I450 WeakPolarHBondContact O-CD1 3.39Å; K446-I450 WeakPolarHBondContact O-CG1 3.43Å; K446-I450 PolarHBondContact O-N 3.38Å; H448-I450 PolarHBondContact O-N 3.3Å; I450-W452 VanDerWaalsContact C-N 3.3Å; I450-W452 PolarHBondContact O-N 3.17Å; I450-T453 WeakPolarHBondContact CA-OG1 3.29Å; I450-T453 PolarHBondContact O-N 3.48Å; I450-T453 PolarHBondContact O-OG1 3.49Å; I450-A454 WeakPolarHBondContact O-CB 3.45Å; I450-A454 PolarHBondContact O-N 3.45Å |
| 451 | I | 72.7 | Confident | 69.1 | Low | 91 Ų | 91 | 76.3 Ų | 76.3 | 47% | 0.467 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 177.1 | -70.8 | 166.5 | 0 | 0 | 0 | 110.5 | K447 H448 A454 F455 | K447-I451 HydrophobicContact CD-CD1 4.42Å; K447-I451 HydrophobicContact CG-CD1 3.61Å; K447-I451 HydrophobicContact CG-CG1 4.37Å; K447-I451 VanDerWaalsContact O-CB 3.27Å; K447-I451 WeakPolarHBondContact O-CB 3.42Å; K447-I451 WeakPolarHBondContact O-CD1 3.33Å; K447-I451 WeakPolarHBondContact O-CG1 3.48Å; K447-I451 PolarHBondContact O-N 3.19Å; H448-I451 PolarHBondContact O-N 3.32Å; H448-I451 VanDerWaalsContact O-N 3.11Å; I451-A454 PolarHBondContact O-N 2.96Å; I451-F455 VanDerWaalsContact O-CB 3.31Å; I451-F455 WeakPolarHBondContact O-CB 3.31Å; I451-F455 PolarHBondContact O-N 3.08Å |
| 452 | W | 73.3 | Confident | 70.6 | Confident | 44 Ų | 44 | 74 Ų | 74 | 17% | 0.167 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.4 | -42.8 | 176.6 | -83.6 | 77.6 | 0 | 0 | 0 | 112.6 | H448 L449 I450 A454 F455 L456 F501 Y504 Q505 | H448-W452 AromaticContact CD2-NE1 3.73Å; H448-W452 AromaticContact CE1-CD1 3.6Å; H448-W452 AromaticContact CE1-CE2 3.58Å; H448-W452 AromaticContact CE1-CZ2 3.96Å; H448-W452 AromaticContact CE1-NE1 2.81Å; H448-W452 PolarHBondContact CE1-NE1 3.26Å; H448-W452 AromaticContact CG-CD1 3.74Å; H448-W452 AromaticContact CG-NE1 3.68Å; H448-W452 AromaticContact ND1-CD1 3.39Å; H448-W452 AromaticContact ND1-NE1 3.11Å; H448-W452 PolarHBondContact ND1-NE1 2.92Å; H448-W452 VanDerWaalsContact ND1-NE1 3.11Å; H448-W452 AromaticContact NE2-CD1 3.98Å; H448-W452 AromaticContact NE2-NE1 3.17Å; H448-W452 PolarHBondContact NE2-NE1 2.99Å; H448-W452 VanDerWaalsContact NE2-NE1 3.17Å; H448-W452 WeakPolarHBondContact O-CB 3.24Å; H448-W452 PolarHBondContact O-N 3.05Å; L449-W452 PolarHBondContact O-N 2.93Å; I450-W452 VanDerWaalsContact C-N 3.3Å; I450-W452 PolarHBondContact O-N 3.17Å; W452-A454 VanDerWaalsContact C-N 3.32Å; W452-A454 PolarHBondContact O-N 3.03Å; W452-F455 PolarHBondContact O-N 3.4Å; W452-L456 WeakPolarHBondContact O-CB 3.2Å; W452-L456 PolarHBondContact O-N 3.38Å; W452-F501 HydrophobicContact CE3-CD1 4.4Å; W452-F501 HydrophobicContact CE3-CE1 4.03Å; W452-F501 HydrophobicContact CZ3-CD1 4.03Å; W452-F501 HydrophobicContact CZ3-CE1 4.13Å; W452-Y504 AromaticContact CE2-CD1 3.87Å; W452-Y504 AromaticContact CE2-CE1 3.39Å; W452-Y504 AromaticContact CH2-CD1 3.28Å; W452-Y504 HydrophobicContact CH2-CD1 3.28Å; W452-Y504 AromaticContact CH2-CE1 3.67Å; W452-Y504 HydrophobicContact CH2-CE1 3.67Å; W452-Y504 HydrophobicContact CH2-CG 4.27Å; W452-Y504 AromaticContact CZ2-CD1 3.11Å; W452-Y504 HydrophobicContact CZ2-CD1 3.11Å; W452-Y504 AromaticContact CZ2-CE1 2.93Å; W452-Y504 HydrophobicContact CZ2-CE1 2.93Å; W452-Y504 HydrophobicContact CZ2-CG 4.27Å; W452-Y504 AromaticContact CZ2-CZ 3.95Å; W452-Y504 HydrophobicContact CZ3-CD1 4.2Å; W452-Y504 AromaticContact NE1-CE1 3.59Å; W452-Q505 HydrophobicContact CH2-CB 4.21Å; W452-Q505 HydrophobicContact CZ3-CB 4.44Å; W452-Q505 VanDerWaalsContact CZ3-OE1 3.24Å |
| 453 | T | 71.8 | Confident | 72.1 | Confident | 34 Ų | 34 | 72.2 Ų | 72.2 | 21% | 0.209 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 174.6 | 58.1 | 0 | 0 | 0 | 0 | 111.4 | L449 I450 L456 V457 V571 | L449-T453 HydrophobicContact CD1-CG2 4.41Å; L449-T453 HydrophobicContact CG-CG2 4.37Å; L449-T453 VanDerWaalsContact O-CG2 3.25Å; L449-T453 WeakPolarHBondContact O-CG2 3.29Å; L449-T453 PolarHBondContact O-N 3.1Å; L449-T453 PolarHBondContact O-OG1 3.11Å; I450-T453 WeakPolarHBondContact CA-OG1 3.29Å; I450-T453 PolarHBondContact O-N 3.48Å; I450-T453 PolarHBondContact O-OG1 3.49Å; T453-L456 PolarHBondContact O-N 3.33Å; T453-V457 WeakPolarHBondContact O-CB 3.43Å; T453-V457 VanDerWaalsContact O-CG2 3.22Å; T453-V457 WeakPolarHBondContact O-CG2 3.48Å; T453-V457 PolarHBondContact O-N 2.54Å; T453-V571 HydrophobicContact CG2-CB 4.25Å; T453-V571 HydrophobicContact CG2-CG1 3.28Å; T453-V571 HydrophobicContact CG2-CG2 3.95Å |
| 454 | A | 78 | Confident | 73.7 | Confident | 45 Ų | 45 | 67.4 Ų | 67.4 | 37% | 0.372 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.8 | -45.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | I450 I451 W452 L456 V457 I458 | I450-A454 WeakPolarHBondContact O-CB 3.45Å; I450-A454 PolarHBondContact O-N 3.45Å; I451-A454 PolarHBondContact O-N 2.96Å; W452-A454 VanDerWaalsContact C-N 3.32Å; W452-A454 PolarHBondContact O-N 3.03Å; A454-L456 VanDerWaalsContact C-N 3.33Å; A454-L456 PolarHBondContact O-N 3.48Å; A454-V457 PolarHBondContact O-N 3.5Å; A454-I458 VanDerWaalsContact O-CB 3.31Å; A454-I458 WeakPolarHBondContact O-CB 2.85Å; A454-I458 WeakPolarHBondContact O-CD1 3.48Å; A454-I458 WeakPolarHBondContact O-CG1 3.47Å; A454-I458 PolarHBondContact O-N 3.05Å |
| 455 | F | 78.6 | Confident | 75.4 | Confident | 75 Ų | 75 | 64.2 Ų | 64.2 | 33% | 0.329 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.3 | -38.8 | 177 | -171.6 | -123 | 0 | 0 | 0 | 111.9 | I451 W452 Y459 L500 F501 | I451-F455 VanDerWaalsContact O-CB 3.31Å; I451-F455 WeakPolarHBondContact O-CB 3.31Å; I451-F455 PolarHBondContact O-N 3.08Å; W452-F455 PolarHBondContact O-N 3.4Å; F455-Y459 WeakPolarHBondContact O-CB 3.49Å; F455-Y459 PolarHBondContact O-N 3.45Å; F455-L500 HydrophobicContact CZ-CB 4.45Å; F455-F501 HydrophobicContact CB-CZ 4.23Å; F455-F501 HydrophobicContact CD1-CD1 4.09Å; F455-F501 HydrophobicContact CD1-CD2 4.1Å; F455-F501 AromaticContact CD1-CE1 3.35Å; F455-F501 HydrophobicContact CD1-CE1 3.35Å; F455-F501 AromaticContact CD1-CE2 3.33Å; F455-F501 HydrophobicContact CD1-CE2 3.33Å; F455-F501 HydrophobicContact CD1-CG 4.43Å; F455-F501 AromaticContact CD1-CZ 2.91Å; F455-F501 HydrophobicContact CD1-CZ 2.91Å; F455-F501 AromaticContact CE1-CD1 3.95Å; F455-F501 HydrophobicContact CE1-CD1 3.95Å; F455-F501 AromaticContact CE1-CD2 3.47Å; F455-F501 HydrophobicContact CE1-CD2 3.47Å; F455-F501 VanDerWaalsContact CE1-CD2 3.47Å; F455-F501 AromaticContact CE1-CE1 3.66Å; F455-F501 HydrophobicContact CE1-CE1 3.66Å; F455-F501 AromaticContact CE1-CE2 3.1Å; F455-F501 HydrophobicContact CE1-CE2 3.1Å; F455-F501 AromaticContact CE1-CG 3.88Å; F455-F501 HydrophobicContact CE1-CG 3.88Å; F455-F501 AromaticContact CE1-CZ 3.24Å; F455-F501 HydrophobicContact CE1-CZ 3.24Å; F455-F501 HydrophobicContact CG-CE1 4.44Å; F455-F501 HydrophobicContact CG-CE2 4.14Å; F455-F501 AromaticContact CG-CZ 3.74Å; F455-F501 HydrophobicContact CG-CZ 3.74Å; F455-F501 HydrophobicContact CZ-CD2 4.15Å; F455-F501 AromaticContact CZ-CE2 3.81Å; F455-F501 HydrophobicContact CZ-CE2 3.81Å; F455-F501 HydrophobicContact CZ-CZ 4.28Å |
| 456 | L | 78.4 | Confident | 76.7 | Confident | 13 Ų | 13 | 61.5 Ų | 61.5 | 7% | 0.068 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.8 | -46.1 | 174.9 | -175.5 | 74.5 | 0 | 0 | 0 | 112 | W452 T453 A454 I458 Y459 L460 F501 F531 L568 V571 | W452-L456 WeakPolarHBondContact O-CB 3.2Å; W452-L456 PolarHBondContact O-N 3.38Å; T453-L456 PolarHBondContact O-N 3.33Å; A454-L456 VanDerWaalsContact C-N 3.33Å; A454-L456 PolarHBondContact O-N 3.48Å; L456-I458 VanDerWaalsContact C-N 3.3Å; L456-I458 PolarHBondContact O-N 3.32Å; L456-Y459 WeakPolarHBondContact O-CB 3.41Å; L456-Y459 PolarHBondContact O-N 2.97Å; L456-L460 HydrophobicContact CG-CD1 4.31Å; L456-L460 WeakPolarHBondContact O-CG 3.43Å; L456-L460 PolarHBondContact O-N 3.07Å; L456-F501 HydrophobicContact CB-CZ 4.3Å; L456-F501 HydrophobicContact CD1-CZ 4.35Å; L456-F531 HydrophobicContact CD1-CE2 4.35Å; L456-L568 HydrophobicContact CD2-CD2 4.49Å; L456-V571 HydrophobicContact CD2-CG2 3.41Å; L456-V571 VanDerWaalsContact CD2-CG2 3.41Å |
| 457 | V | 81.3 | Confident | 78.2 | Confident | 82 Ų | 82 | 58.7 Ų | 58.7 | 50% | 0.497 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 177.4 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | T453 A454 L460 F461 | T453-V457 WeakPolarHBondContact O-CB 3.43Å; T453-V457 VanDerWaalsContact O-CG2 3.22Å; T453-V457 WeakPolarHBondContact O-CG2 3.48Å; T453-V457 PolarHBondContact O-N 2.54Å; A454-V457 PolarHBondContact O-N 3.5Å; V457-L460 PolarHBondContact O-N 2.89Å; V457-F461 WeakPolarHBondContact O-CB 3.39Å; V457-F461 PolarHBondContact O-N 3.39Å |
| 458 | I | 83.4 | Confident | 79.3 | Confident | 84 Ų | 84 | 62.7 Ų | 62.7 | 43% | 0.431 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 174.5 | -71.5 | 165.7 | 0 | 0 | 0 | 110.6 | A454 L456 F461 F462 | A454-I458 VanDerWaalsContact O-CB 3.31Å; A454-I458 WeakPolarHBondContact O-CB 2.85Å; A454-I458 WeakPolarHBondContact O-CD1 3.48Å; A454-I458 WeakPolarHBondContact O-CG1 3.47Å; A454-I458 PolarHBondContact O-N 3.05Å; L456-I458 VanDerWaalsContact C-N 3.3Å; L456-I458 PolarHBondContact O-N 3.32Å; I458-F461 WeakPolarHBondContact O-CB 3.44Å; I458-F461 PolarHBondContact O-N 3.26Å; I458-F462 HydrophobicContact CG2-CD2 3.55Å; I458-F462 HydrophobicContact CG2-CE2 3.31Å; I458-F462 HydrophobicContact CG2-CZ 4.46Å; I458-F462 WeakPolarHBondContact O-CD2 3.23Å; I458-F462 PolarHBondContact O-N 2.81Å |
| 459 | Y | 83.4 | Confident | 80.3 | Confident | 7 Ų | 7 | 59.8 Ų | 59.8 | 3% | 0.027 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.3 | -45.2 | 175.2 | 169 | -98.9 | 0 | 0 | 0 | 112.5 | F455 L456 F461 F462 M463 F501 | F455-Y459 WeakPolarHBondContact O-CB 3.49Å; F455-Y459 PolarHBondContact O-N 3.45Å; L456-Y459 WeakPolarHBondContact O-CB 3.41Å; L456-Y459 PolarHBondContact O-N 2.97Å; Y459-F461 VanDerWaalsContact C-N 3.3Å; Y459-F461 PolarHBondContact O-N 2.96Å; Y459-F462 PolarHBondContact O-N 3.4Å; Y459-M463 WeakPolarHBondContact O-CB 3.2Å; Y459-M463 PolarHBondContact O-N 2.94Å; Y459-F501 HydrophobicContact CD1-CE2 4.45Å; Y459-F501 HydrophobicContact CD2-CD2 4.37Å; Y459-F501 HydrophobicContact CD2-CE2 4.27Å; Y459-F501 HydrophobicContact CG-CD2 4.35Å; Y459-F501 AromaticContact CG-CE2 3.89Å; Y459-F501 HydrophobicContact CG-CE2 3.89Å |
| 460 | L | 83.8 | Confident | 81 | Confident | 6 Ų | 6 | 59.3 Ų | 59.3 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 175.6 | -69.8 | 171.9 | 0 | 0 | 0 | 112.2 | L456 V457 M463 S464 S564 L568 | L456-L460 HydrophobicContact CG-CD1 4.31Å; L456-L460 WeakPolarHBondContact O-CG 3.43Å; L456-L460 PolarHBondContact O-N 3.07Å; V457-L460 PolarHBondContact O-N 2.89Å; L460-M463 PolarHBondContact O-N 2.97Å; L460-S464 WeakPolarHBondContact O-CB 3.31Å; L460-S464 PolarHBondContact O-N 3.1Å; L460-S464 PolarHBondContact O-OG 3.18Å; L460-S564 VanDerWaalsContact CD2-O 3.28Å; L460-S564 WeakPolarHBondContact CD2-O 3.38Å; L460-S564 WeakPolarHBondContact CD2-OG 3.25Å; L460-L568 HydrophobicContact CD1-CD1 4.4Å; L460-L568 HydrophobicContact CD1-CD2 3.62Å; L460-L568 HydrophobicContact CD1-CG 3.85Å |
| 461 | F | 85.4 | Confident | 81.3 | Confident | 124 Ų | 124 | 55.7 Ų | 55.7 | 54% | 0.544 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.5 | -51.4 | 175.5 | -177.2 | -107.1 | 0 | 0 | 0 | 111 | V457 I458 Y459 M463 S464 I465 | V457-F461 WeakPolarHBondContact O-CB 3.39Å; V457-F461 PolarHBondContact O-N 3.39Å; I458-F461 WeakPolarHBondContact O-CB 3.44Å; I458-F461 PolarHBondContact O-N 3.26Å; Y459-F461 VanDerWaalsContact C-N 3.3Å; Y459-F461 PolarHBondContact O-N 2.96Å; F461-M463 VanDerWaalsContact C-N 3.28Å; F461-M463 PolarHBondContact O-N 3.07Å; F461-S464 PolarHBondContact O-N 3.37Å; F461-S464 PolarHBondContact O-OG 2.74Å; F461-I465 HydrophobicContact CD1-CD1 3.65Å; F461-I465 HydrophobicContact CD2-CD1 4.39Å; F461-I465 HydrophobicContact CE1-CD1 3.21Å; F461-I465 HydrophobicContact CE1-CG1 4.44Å; F461-I465 HydrophobicContact CE2-CD1 4.02Å; F461-I465 HydrophobicContact CG-CD1 4.25Å; F461-I465 HydrophobicContact CZ-CD1 3.43Å; F461-I465 VanDerWaalsContact CZ-CD1 3.43Å; F461-I465 HydrophobicContact CZ-CG1 4.43Å; F461-I465 WeakPolarHBondContact O-CG1 2.85Å; F461-I465 PolarHBondContact O-N 3.47Å |
| 462 | F | 85.5 | Confident | 81.1 | Confident | 63 Ų | 63 | 56 Ų | 56 | 28% | 0.276 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.9 | -38.1 | 176.6 | -75.9 | -58.9 | 0 | 0 | 0 | 112.1 | I458 Y459 I465 S466 V490 C493 T494 | I458-F462 HydrophobicContact CG2-CD2 3.55Å; I458-F462 HydrophobicContact CG2-CE2 3.31Å; I458-F462 HydrophobicContact CG2-CZ 4.46Å; I458-F462 WeakPolarHBondContact O-CD2 3.23Å; I458-F462 PolarHBondContact O-N 2.81Å; Y459-F462 PolarHBondContact O-N 3.4Å; F462-I465 PolarHBondContact O-N 3.22Å; F462-S466 WeakPolarHBondContact O-CB 3.06Å; F462-S466 PolarHBondContact O-N 2.89Å; F462-V490 HydrophobicContact CB-CG1 4.38Å; F462-V490 HydrophobicContact CD1-CG1 4.26Å; F462-V490 HydrophobicContact CD1-CG2 4.31Å; F462-V490 WeakPolarHBondContact O-CG1 3.47Å; F462-C493 HydrophobicContact CD1-CB 4.47Å; F462-C493 HydrophobicContact CD2-CB 4.47Å; F462-C493 HydrophobicContact CG-CB 4.38Å; F462-T494 VanDerWaalsContact C-CG2 3.42Å; F462-T494 HydrophobicContact CB-CG2 3.72Å; F462-T494 WeakPolarHBondContact O-CG2 3.24Å |
| 463 | M | 84.8 | Confident | 80.9 | Confident | 10 Ų | 10 | 61.6 Ų | 61.6 | 5% | 0.049 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 176.8 | -167.3 | -78.8 | -92.1 | 0 | 0 | 111.5 | Y459 L460 F461 I465 S466 I467 T494 V560 A561 S564 | Y459-M463 WeakPolarHBondContact O-CB 3.2Å; Y459-M463 PolarHBondContact O-N 2.94Å; L460-M463 PolarHBondContact O-N 2.97Å; F461-M463 VanDerWaalsContact C-N 3.28Å; F461-M463 PolarHBondContact O-N 3.07Å; M463-I465 VanDerWaalsContact C-N 3.31Å; M463-I465 PolarHBondContact O-N 2.58Å; M463-S466 WeakPolarHBondContact O-CB 3.19Å; M463-S466 PolarHBondContact O-N 3.29Å; M463-S466 VanDerWaalsContact O-N 3.14Å; M463-I467 HydrophobicContact CE-CD1 4.39Å; M463-I467 PolarHBondContact O-N 3.35Å; M463-I467 HydrophobicContact SD-CD1 3.29Å; M463-I467 WeakPolarHBondContact SD-CD1 3.37Å; M463-I467 HydrophobicContact SD-CG1 3.9Å; M463-T494 HydrophobicContact CB-CG2 4.22Å; M463-V560 HydrophobicContact CE-CG1 4.25Å; M463-A561 HydrophobicContact CE-CB 4.39Å; M463-S564 WeakPolarHBondContact CE-OG 3.39Å |
| 464 | S | 85.9 | Confident | 80.6 | Confident | 47 Ų | 47 | 66 Ų | 66 | 33% | 0.329 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.2 | -37.8 | 176.2 | 69.8 | 0 | 0 | 0 | 0 | 112.8 | L460 F461 I467 Y468 | L460-S464 WeakPolarHBondContact O-CB 3.31Å; L460-S464 PolarHBondContact O-N 3.1Å; L460-S464 PolarHBondContact O-OG 3.18Å; F461-S464 PolarHBondContact O-N 3.37Å; F461-S464 PolarHBondContact O-OG 2.74Å; S464-I467 PolarHBondContact O-N 2.91Å; S464-Y468 WeakPolarHBondContact O-CB 3.43Å; S464-Y468 PolarHBondContact O-N 3.17Å |
| 465 | I | 86.5 | Confident | 80.2 | Confident | 44 Ų | 44 | 67.6 Ų | 67.6 | 23% | 0.226 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.3 | -39.9 | 174.5 | -66.1 | 173.1 | 0 | 0 | 0 | 110.8 | F461 F462 M463 I467 Y468 L469 V490 | F461-I465 HydrophobicContact CD1-CD1 3.65Å; F461-I465 HydrophobicContact CD2-CD1 4.39Å; F461-I465 HydrophobicContact CE1-CD1 3.21Å; F461-I465 HydrophobicContact CE1-CG1 4.44Å; F461-I465 HydrophobicContact CE2-CD1 4.02Å; F461-I465 HydrophobicContact CG-CD1 4.25Å; F461-I465 HydrophobicContact CZ-CD1 3.43Å; F461-I465 VanDerWaalsContact CZ-CD1 3.43Å; F461-I465 HydrophobicContact CZ-CG1 4.43Å; F461-I465 WeakPolarHBondContact O-CG1 2.85Å; F461-I465 PolarHBondContact O-N 3.47Å; F462-I465 PolarHBondContact O-N 3.22Å; M463-I465 VanDerWaalsContact C-N 3.31Å; M463-I465 PolarHBondContact O-N 2.58Å; I465-I467 VanDerWaalsContact C-N 3.26Å; I465-I467 PolarHBondContact O-N 3.03Å; I465-Y468 PolarHBondContact O-N 3.36Å; I465-Y468 VanDerWaalsContact O-N 3.15Å; I465-L469 HydrophobicContact CG2-CD1 3.49Å; I465-L469 VanDerWaalsContact CG2-CD1 3.49Å; I465-L469 HydrophobicContact CG2-CG 3.91Å; I465-L469 WeakPolarHBondContact O-CB 3.42Å; I465-L469 WeakPolarHBondContact O-CG 3.27Å; I465-L469 PolarHBondContact O-N 3.14Å; I465-V490 HydrophobicContact CB-CG1 4.07Å; I465-V490 HydrophobicContact CG2-CB 4.46Å; I465-V490 HydrophobicContact CG2-CG1 3.95Å; I465-V490 HydrophobicContact CG2-CG2 3.9Å |
| 466 | S | 84.4 | Confident | 79.7 | Confident | 21 Ų | 21 | 65.7 Ų | 65.7 | 15% | 0.147 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.6 | -38.5 | 177.2 | -165.8 | 0 | 0 | 0 | 0 | 111.8 | F462 M463 E491 | F462-S466 WeakPolarHBondContact O-CB 3.06Å; F462-S466 PolarHBondContact O-N 2.89Å; M463-S466 WeakPolarHBondContact O-CB 3.19Å; M463-S466 PolarHBondContact O-N 3.29Å; M463-S466 VanDerWaalsContact O-N 3.14Å; S466-E491 WeakPolarHBondContact OG-CG 3.14Å |
| 467 | I | 84.5 | Confident | 79.5 | Confident | 63 Ų | 63 | 72.3 Ų | 72.3 | 32% | 0.323 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -72.9 | -40.5 | 175.7 | -65 | 179.9 | 0 | 0 | 0 | 110.7 | M463 S464 I465 R470 A561 | M463-I467 HydrophobicContact CE-CD1 4.39Å; M463-I467 PolarHBondContact O-N 3.35Å; M463-I467 HydrophobicContact SD-CD1 3.29Å; M463-I467 WeakPolarHBondContact SD-CD1 3.37Å; M463-I467 HydrophobicContact SD-CG1 3.9Å; S464-I467 PolarHBondContact O-N 2.91Å; I465-I467 VanDerWaalsContact C-N 3.26Å; I465-I467 PolarHBondContact O-N 3.03Å; I467-R470 VanDerWaalsContact O-CB 3.24Å; I467-R470 WeakPolarHBondContact O-CB 3.38Å; I467-R470 PolarHBondContact O-N 3Å; I467-A561 HydrophobicContact CD1-CB 3.62Å |
| 468 | Y | 83.8 | Confident | 79.2 | Confident | 200 Ų | 200 | 70.2 Ų | 70.2 | 78% | 0.784 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -66.5 | -41.3 | -179.5 | -179.3 | -98.3 | 0 | 0 | 0 | 113.2 | S464 I465 R470 | S464-Y468 WeakPolarHBondContact O-CB 3.43Å; S464-Y468 PolarHBondContact O-N 3.17Å; I465-Y468 PolarHBondContact O-N 3.36Å; I465-Y468 VanDerWaalsContact O-N 3.15Å; Y468-R470 PolarHBondContact O-N 2.87Å |
| 469 | L | 83.7 | Confident | 79 | Confident | 32 Ų | 32 | 69.5 Ų | 69.5 | 17% | 0.168 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | 7.2 | 178.3 | -65.5 | 176.7 | 0 | 0 | 0 | 113.2 | I465 P471 R487 V490 | I465-L469 HydrophobicContact CG2-CD1 3.49Å; I465-L469 VanDerWaalsContact CG2-CD1 3.49Å; I465-L469 HydrophobicContact CG2-CG 3.91Å; I465-L469 WeakPolarHBondContact O-CB 3.42Å; I465-L469 WeakPolarHBondContact O-CG 3.27Å; I465-L469 PolarHBondContact O-N 3.14Å; L469-P471 WeakPolarHBondContact O-CD 3.27Å; L469-R487 HydrophobicContact CB-CB 4.49Å; L469-R487 HydrophobicContact CB-CG 4.34Å; L469-R487 WeakPolarHBondContact O-CD 3.41Å; L469-V490 HydrophobicContact CD1-CG2 4.47Å |
| 470 | R | 81.9 | Confident | 78.6 | Confident | 57 Ų | 57 | 78.7 Ų | 78.7 | 22% | 0.215 | 38% | 0.384 | C | S | . | . | trans | -70.9 | 122.6 | 179.1 | -170.7 | 173.9 | -175.6 | 167.2 | 5.3 | 109.7 | I467 Y468 E553 E554 | I467-R470 VanDerWaalsContact O-CB 3.24Å; I467-R470 WeakPolarHBondContact O-CB 3.38Å; I467-R470 PolarHBondContact O-N 3Å; Y468-R470 PolarHBondContact O-N 2.87Å; R470-E553 IonicContact NH2-OE2 3.45Å; R470-E554 VanDerWaalsContact CZ-CG 3.46Å; R470-E554 IonicContact NH2-OE1 3.15Å | ||
| 471 | P | 76.3 | Confident | 78.5 | Confident | 27 Ų | 27 | 80.7 Ų | 80.7 | 18% | 0.175 | 41% | 0.407 | C | S | . | . | trans | -71 | 138.6 | 178 | 30.2 | -35.7 | 0 | 0 | 0 | 110.8 | L469 E474 | L469-P471 WeakPolarHBondContact O-CD 3.27Å; P471-E474 HydrophobicContact CB-CB 4.04Å | ||
| 472 | A | 69.3 | Low | 78.3 | Confident | 97 Ų | 97 | 83.1 Ų | 83.1 | 80% | 0.802 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -81.8 | -35.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 473 | N | 68.9 | Low | 78.1 | Confident | 162 Ų | 162 | 84.4 Ų | 84.4 | 87% | 0.866 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -126.6 | -1.8 | -167.6 | -66.6 | -10.6 | 0 | 0 | 0 | 114.3 | ||
| 474 | E | 65.3 | Low | 78 | Confident | 128 Ų | 128 | 84 Ų | 84 | 60% | 0.598 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -101.6 | 158.5 | -176.2 | -60.6 | -175.6 | 172.1 | 0 | 0 | 111.8 | P471 L476 | P471-E474 HydrophobicContact CB-CB 4.04Å; E474-L476 PolarHBondContact O-N 3.34Å |
| 475 | S | 69.4 | Low | 77.9 | Confident | 78 Ų | 78 | 86.8 Ų | 86.8 | 55% | 0.545 | 44% | 0.436 | S | S | . | . | trans | -60.7 | 126.3 | 173.3 | 57.6 | 0 | 0 | 0 | 0 | 110.5 | W477 D478 | S475-W477 PolarHBondContact O-N 2.92Å; S475-D478 PolarHBondContact O-N 3.2Å | ||
| 476 | L | 68.9 | Low | 77.8 | Confident | 35 Ų | 35 | 86.8 Ų | 86.8 | 18% | 0.183 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -17.2 | -177.3 | -67.9 | 164.8 | 0 | 0 | 0 | 114.8 | E474 R487 R545 | E474-L476 PolarHBondContact O-N 3.34Å; L476-R487 PolarHBondContact O-NH2 2.93Å; L476-R545 PolarHBondContact O-NH2 3.38Å; L476-R545 VanDerWaalsContact O-NH2 3.07Å |
| 477 | W | 73.4 | Confident | 77.9 | Confident | 151 Ų | 151 | 86 Ų | 86 | 57% | 0.572 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -3.8 | 178.7 | -64.9 | 97.5 | 0 | 0 | 0 | 114.2 | S475 Y479 R545 L546 | S475-W477 PolarHBondContact O-N 2.92Å; W477-Y479 VanDerWaalsContact O-CD2 3.28Å; W477-Y479 WeakPolarHBondContact O-CD2 3.4Å; W477-Y479 PolarHBondContact O-N 3.06Å; W477-Y479 VanDerWaalsContact O-N 3.12Å; W477-R545 HydrophobicContact CZ2-CG 4.2Å; W477-L546 HydrophobicContact CH2-CD2 3.95Å; W477-L546 HydrophobicContact CZ2-CD2 4.4Å |
| 478 | D | 74.5 | Confident | 77.9 | Confident | 39 Ų | 39 | 84.3 Ų | 84.3 | 21% | 0.209 | 43% | 0.428 | C | S | . | . | trans | -82.3 | 95.2 | -178.8 | -156.6 | -12.9 | 0 | 0 | 0 | 111.2 | S475 R480 R487 | S475-D478 PolarHBondContact O-N 3.2Å; D478-R480 VanDerWaalsContact C-N 3.35Å; D478-R480 VanDerWaalsContact OD1-CB 3.27Å; D478-R480 WeakPolarHBondContact OD1-CB 3.4Å; D478-R480 WeakPolarHBondContact OD1-CG 3.37Å; D478-R480 IonicContact OD1-CZ 3.2Å; D478-R480 PolarHBondContact OD1-N 3.39Å; D478-R480 IonicContact OD1-NE 2.7Å; D478-R480 PolarHBondContact OD1-NE 3.27Å; D478-R480 IonicContact OD1-NH2 3.77Å; D478-R480 IonicContact OD2-CZ 2.74Å; D478-R480 IonicContact OD2-NE 3.79Å; D478-R480 PolarHBondContact OD2-NE 3.15Å; D478-R480 IonicContact OD2-NH2 2.82Å; D478-R480 PolarHBondContact OD2-NH2 3.33Å; D478-R487 PolarHBondContact O-NH2 2.9Å | ||
| 479 | Y | 78.6 | Confident | 78 | Confident | 69 Ų | 69 | 78.6 Ų | 78.6 | 27% | 0.271 | 41% | 0.414 | S | S | . | . | trans | -96.6 | 21 | 177 | -65.2 | -77.8 | 0 | 0 | 0 | 112.8 | W477 G484 A488 E491 R545 | W477-Y479 VanDerWaalsContact O-CD2 3.28Å; W477-Y479 WeakPolarHBondContact O-CD2 3.4Å; W477-Y479 PolarHBondContact O-N 3.06Å; W477-Y479 VanDerWaalsContact O-N 3.12Å; Y479-G484 WeakPolarHBondContact CD1-O 3.45Å; Y479-G484 CarbonylContact O-C 3.47Å; Y479-A488 HydrophobicContact CD1-CB 3.6Å; Y479-A488 HydrophobicContact CE1-CB 3.86Å; Y479-A488 HydrophobicContact CG-CB 4.32Å; Y479-E491 WeakPolarHBondContact CE1-OE2 3.31Å; Y479-E491 PolarHBondContact OH-OE2 3.35Å; Y479-R545 PolarHBondContact OH-NH2 3.31Å | ||
| 480 | R | 76.4 | Confident | 78.3 | Confident | 199 Ų | 199 | 77.8 Ų | 77.8 | 75% | 0.751 | 41% | 0.41 | S | S | * | . | trans | -78.9 | 145.9 | -179.7 | -69.2 | 178 | -78.2 | -170.2 | -1.1 | 111.6 | D478 | D478-R480 VanDerWaalsContact C-N 3.35Å; D478-R480 VanDerWaalsContact OD1-CB 3.27Å; D478-R480 WeakPolarHBondContact OD1-CB 3.4Å; D478-R480 WeakPolarHBondContact OD1-CG 3.37Å; D478-R480 IonicContact OD1-CZ 3.2Å; D478-R480 PolarHBondContact OD1-N 3.39Å; D478-R480 IonicContact OD1-NE 2.7Å; D478-R480 PolarHBondContact OD1-NE 3.27Å; D478-R480 IonicContact OD1-NH2 3.77Å; D478-R480 IonicContact OD2-CZ 2.74Å; D478-R480 IonicContact OD2-NE 3.79Å; D478-R480 PolarHBondContact OD2-NE 3.15Å; D478-R480 IonicContact OD2-NH2 2.82Å; D478-R480 PolarHBondContact OD2-NH2 3.33Å | ||
| 481 | G | 81.2 | Confident | 78.6 | Confident | 49 Ų | 49 | 76 Ų | 76 | 51% | 0.505 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | 86 | 173.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D483 G484 I485 | G481-D483 VanDerWaalsContact C-N 3.31Å; G481-D483 PolarHBondContact O-N 2.98Å; G481-G484 PolarHBondContact O-N 2.87Å; G481-I485 WeakPolarHBondContact O-CG1 3.48Å; G481-I485 PolarHBondContact O-N 3.05Å; G481-I485 VanDerWaalsContact O-N 3.12Å |
| 482 | F | 81.3 | Confident | 79.1 | Confident | 174 Ų | 174 | 78.7 Ų | 78.7 | 76% | 0.763 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -60.2 | -40.9 | -177.1 | -179.3 | -100.3 | 0 | 0 | 0 | 112.2 | I485 C486 | F482-I485 PolarHBondContact O-N 2.98Å; F482-C486 PolarHBondContact O-N 3.39Å; F482-C486 VanDerWaalsContact O-N 3.09Å; F482-C486 PolarHBondContact O-SG 3.29Å |
| 483 | D | 80.7 | Confident | 80.1 | Confident | 91 Ų | 91 | 76.5 Ų | 76.5 | 49% | 0.487 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.4 | -42.7 | 179.1 | -168.4 | 39.2 | 0 | 0 | 0 | 112.3 | G481 I485 C486 R487 | G481-D483 VanDerWaalsContact C-N 3.31Å; G481-D483 PolarHBondContact O-N 2.98Å; D483-I485 PolarHBondContact O-N 2.83Å; D483-C486 WeakPolarHBondContact O-CB 3.25Å; D483-C486 PolarHBondContact O-N 3.26Å; D483-R487 WeakPolarHBondContact O-CB 3.29Å; D483-R487 PolarHBondContact O-N 3.39Å |
| 484 | G | 82.5 | Confident | 81 | Confident | 2 Ų | 2 | 69.3 Ų | 69.3 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60 | -41.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y479 G481 R487 A488 | Y479-G484 WeakPolarHBondContact CD1-O 3.45Å; Y479-G484 CarbonylContact O-C 3.47Å; G481-G484 PolarHBondContact O-N 2.87Å; G484-R487 PolarHBondContact O-N 2.89Å; G484-A488 WeakPolarHBondContact O-CB 3.14Å; G484-A488 PolarHBondContact O-N 3.46Å |
| 485 | I | 84.9 | Confident | 82 | Confident | 105 Ų | 105 | 65.7 Ų | 65.7 | 54% | 0.538 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.9 | -44.5 | 175.9 | -64.2 | 166.9 | 0 | 0 | 0 | 110.7 | G481 F482 D483 R487 A488 V489 | G481-I485 WeakPolarHBondContact O-CG1 3.48Å; G481-I485 PolarHBondContact O-N 3.05Å; G481-I485 VanDerWaalsContact O-N 3.12Å; F482-I485 PolarHBondContact O-N 2.98Å; D483-I485 PolarHBondContact O-N 2.83Å; I485-R487 VanDerWaalsContact C-N 3.32Å; I485-R487 PolarHBondContact O-N 2.96Å; I485-A488 PolarHBondContact O-N 2.78Å; I485-V489 HydrophobicContact CG2-CG2 4.47Å; I485-V489 VanDerWaalsContact O-CG2 3.3Å; I485-V489 WeakPolarHBondContact O-CG2 3.4Å; I485-V489 PolarHBondContact O-N 2.91Å |
| 486 | C | 84.9 | Confident | 82.9 | Confident | 43 Ų | 43 | 65.4 Ų | 65.4 | 29% | 0.291 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.1 | -45.6 | 175.7 | -72.5 | 0 | 0 | 0 | 0 | 111.3 | F482 D483 V489 V490 | F482-C486 PolarHBondContact O-N 3.39Å; F482-C486 VanDerWaalsContact O-N 3.09Å; F482-C486 PolarHBondContact O-SG 3.29Å; D483-C486 WeakPolarHBondContact O-CB 3.25Å; D483-C486 PolarHBondContact O-N 3.26Å; C486-V489 PolarHBondContact O-N 2.91Å; C486-V490 VanDerWaalsContact O-CG2 3.29Å; C486-V490 WeakPolarHBondContact O-CG2 3.43Å; C486-V490 PolarHBondContact O-N 3.44Å |
| 487 | R | 85 | Confident | 83.6 | Confident | 5 Ų | 5 | 64.1 Ų | 64.1 | 2% | 0.019 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.1 | -47.9 | 176 | -170.2 | 179.8 | 75 | -144.9 | 0.3 | 112.1 | L469 L476 D478 D483 G484 I485 V489 V490 E491 | L469-R487 HydrophobicContact CB-CB 4.49Å; L469-R487 HydrophobicContact CB-CG 4.34Å; L469-R487 WeakPolarHBondContact O-CD 3.41Å; L476-R487 PolarHBondContact O-NH2 2.93Å; D478-R487 PolarHBondContact O-NH2 2.9Å; D483-R487 WeakPolarHBondContact O-CB 3.29Å; D483-R487 PolarHBondContact O-N 3.39Å; G484-R487 PolarHBondContact O-N 2.89Å; I485-R487 VanDerWaalsContact C-N 3.32Å; I485-R487 PolarHBondContact O-N 2.96Å; R487-V489 VanDerWaalsContact C-N 3.31Å; R487-V489 PolarHBondContact O-N 3.11Å; R487-V490 PolarHBondContact O-N 2.93Å; R487-E491 HydrophobicContact CG-CG 4.26Å; R487-E491 WeakPolarHBondContact O-CB 3.35Å; R487-E491 WeakPolarHBondContact O-CG 3.09Å; R487-E491 PolarHBondContact O-N 3.08Å |
| 488 | A | 84.2 | Confident | 84.2 | Confident | 28 Ų | 28 | 56.9 Ų | 56.9 | 23% | 0.231 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.6 | -43.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y479 G484 I485 T492 | Y479-A488 HydrophobicContact CD1-CB 3.6Å; Y479-A488 HydrophobicContact CE1-CB 3.86Å; Y479-A488 HydrophobicContact CG-CB 4.32Å; G484-A488 WeakPolarHBondContact O-CB 3.14Å; G484-A488 PolarHBondContact O-N 3.46Å; I485-A488 PolarHBondContact O-N 2.78Å; A488-T492 VanDerWaalsContact O-CB 3.29Å; A488-T492 WeakPolarHBondContact O-CB 3.47Å; A488-T492 PolarHBondContact O-N 3.42Å; A488-T492 PolarHBondContact O-OG1 3.48Å |
| 489 | V | 87.9 | Confident | 84.7 | Confident | 80 Ų | 80 | 58.6 Ų | 58.6 | 49% | 0.485 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.3 | -46.3 | 178.1 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | I485 C486 R487 T492 C493 | I485-V489 HydrophobicContact CG2-CG2 4.47Å; I485-V489 VanDerWaalsContact O-CG2 3.3Å; I485-V489 WeakPolarHBondContact O-CG2 3.4Å; I485-V489 PolarHBondContact O-N 2.91Å; C486-V489 PolarHBondContact O-N 2.91Å; R487-V489 VanDerWaalsContact C-N 3.31Å; R487-V489 PolarHBondContact O-N 3.11Å; V489-T492 PolarHBondContact O-N 3.11Å; V489-C493 WeakPolarHBondContact O-CB 3.34Å; V489-C493 PolarHBondContact O-N 2.54Å; V489-C493 PolarHBondContact O-SG 2.73Å |
| 490 | V | 89 | Confident | 85 | Confident | 14 Ų | 14 | 59.8 Ų | 59.8 | 9% | 0.085 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66 | -46.8 | -179.4 | 174.8 | 0 | 0 | 0 | 0 | 111.6 | F462 I465 L469 C486 R487 T492 C493 T494 | F462-V490 HydrophobicContact CB-CG1 4.38Å; F462-V490 HydrophobicContact CD1-CG1 4.26Å; F462-V490 HydrophobicContact CD1-CG2 4.31Å; F462-V490 WeakPolarHBondContact O-CG1 3.47Å; I465-V490 HydrophobicContact CB-CG1 4.07Å; I465-V490 HydrophobicContact CG2-CB 4.46Å; I465-V490 HydrophobicContact CG2-CG1 3.95Å; I465-V490 HydrophobicContact CG2-CG2 3.9Å; L469-V490 HydrophobicContact CD1-CG2 4.47Å; C486-V490 VanDerWaalsContact O-CG2 3.29Å; C486-V490 WeakPolarHBondContact O-CG2 3.43Å; C486-V490 PolarHBondContact O-N 3.44Å; R487-V490 PolarHBondContact O-N 2.93Å; V490-T492 VanDerWaalsContact C-N 3.32Å; V490-T492 PolarHBondContact O-N 3.29Å; V490-C493 WeakPolarHBondContact O-CB 3.37Å; V490-C493 PolarHBondContact O-N 3.27Å; V490-T494 WeakPolarHBondContact O-CG2 3.45Å; V490-T494 PolarHBondContact O-N 2.9Å; V490-T494 PolarHBondContact O-OG1 3.17Å |
| 491 | E | 88.4 | Confident | 85.1 | Confident | 20 Ų | 20 | 50.4 Ų | 50.4 | 9% | 0.093 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.5 | -40.3 | 176.1 | -73.7 | -179.9 | 161.5 | 0 | 0 | 111.7 | S466 Y479 R487 T494 I495 R545 | S466-E491 WeakPolarHBondContact OG-CG 3.14Å; Y479-E491 WeakPolarHBondContact CE1-OE2 3.31Å; Y479-E491 PolarHBondContact OH-OE2 3.35Å; R487-E491 HydrophobicContact CG-CG 4.26Å; R487-E491 WeakPolarHBondContact O-CB 3.35Å; R487-E491 WeakPolarHBondContact O-CG 3.09Å; R487-E491 PolarHBondContact O-N 3.08Å; E491-T494 WeakPolarHBondContact CA-OG1 3.49Å; E491-T494 PolarHBondContact O-N 2.97Å; E491-T494 PolarHBondContact O-OG1 3.33Å; E491-I495 WeakPolarHBondContact O-CD1 3.24Å; E491-I495 VanDerWaalsContact O-CG1 3.3Å; E491-I495 WeakPolarHBondContact O-CG1 3.28Å; E491-I495 PolarHBondContact O-N 3.04Å; E491-I495 VanDerWaalsContact O-N 3.09Å; E491-R545 IonicContact OE1-CZ 3.14Å; E491-R545 IonicContact OE1-NH1 2.54Å; E491-R545 PolarHBondContact OE1-NH1 2.83Å; E491-R545 IonicContact OE1-NH2 2.99Å; E491-R545 PolarHBondContact OE1-NH2 2.87Å; E491-R545 IonicContact OE2-CZ 2.9Å; E491-R545 IonicContact OE2-NH1 3.74Å; E491-R545 IonicContact OE2-NH2 3.6Å; E491-R545 PolarHBondContact OE2-NH2 3.08Å |
| 492 | T | 87.5 | Confident | 85.1 | Confident | 83 Ų | 83 | 49.5 Ų | 49.5 | 51% | 0.509 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.4 | -42.4 | 176.3 | -54.9 | 0 | 0 | 0 | 0 | 110.7 | A488 V489 V490 T494 I495 V496 | A488-T492 VanDerWaalsContact O-CB 3.29Å; A488-T492 WeakPolarHBondContact O-CB 3.47Å; A488-T492 PolarHBondContact O-N 3.42Å; A488-T492 PolarHBondContact O-OG1 3.48Å; V489-T492 PolarHBondContact O-N 3.11Å; V490-T492 VanDerWaalsContact C-N 3.32Å; V490-T492 PolarHBondContact O-N 3.29Å; T492-T494 PolarHBondContact O-N 3.47Å; T492-I495 PolarHBondContact O-N 3.42Å; T492-V496 HydrophobicContact CG2-CG2 4.18Å; T492-V496 VanDerWaalsContact O-CB 3.31Å; T492-V496 WeakPolarHBondContact O-CB 3.44Å; T492-V496 VanDerWaalsContact O-CG2 3.22Å; T492-V496 WeakPolarHBondContact O-CG2 3.43Å; T492-V496 PolarHBondContact O-N 2.8Å |
| 493 | C | 88.8 | Confident | 85.2 | Confident | 51 Ų | 51 | 46.5 Ų | 46.5 | 35% | 0.345 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.1 | -38.3 | 176.8 | -75.9 | 0 | 0 | 0 | 0 | 112.7 | F462 V489 V490 G497 | F462-C493 HydrophobicContact CD1-CB 4.47Å; F462-C493 HydrophobicContact CD2-CB 4.47Å; F462-C493 HydrophobicContact CG-CB 4.38Å; V489-C493 WeakPolarHBondContact O-CB 3.34Å; V489-C493 PolarHBondContact O-N 2.54Å; V489-C493 PolarHBondContact O-SG 2.73Å; V490-C493 WeakPolarHBondContact O-CB 3.37Å; V490-C493 PolarHBondContact O-N 3.27Å; C493-G497 WeakPolarHBondContact O-CA 3.48Å; C493-G497 PolarHBondContact O-N 3.31Å |
| 494 | T | 87.7 | Confident | 85.1 | Confident | 11 Ų | 11 | 47.8 Ų | 47.8 | 7% | 0.067 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69 | -44.2 | 177.3 | 55.1 | 0 | 0 | 0 | 0 | 111.5 | F462 M463 V490 E491 T492 G497 S498 | F462-T494 VanDerWaalsContact C-CG2 3.42Å; F462-T494 HydrophobicContact CB-CG2 3.72Å; F462-T494 WeakPolarHBondContact O-CG2 3.24Å; M463-T494 HydrophobicContact CB-CG2 4.22Å; V490-T494 WeakPolarHBondContact O-CG2 3.45Å; V490-T494 PolarHBondContact O-N 2.9Å; V490-T494 PolarHBondContact O-OG1 3.17Å; E491-T494 WeakPolarHBondContact CA-OG1 3.49Å; E491-T494 PolarHBondContact O-N 2.97Å; E491-T494 PolarHBondContact O-OG1 3.33Å; T492-T494 PolarHBondContact O-N 3.47Å; T494-G497 PolarHBondContact O-N 3.3Å; T494-S498 PolarHBondContact O-N 2.85Å |
| 495 | I | 87.2 | Confident | 84.8 | Confident | 53 Ų | 53 | 49.4 Ų | 49.4 | 27% | 0.272 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.6 | -50.6 | 177.3 | -67.1 | 166.2 | 0 | 0 | 0 | 110.6 | E491 T492 G497 S498 L499 I542 | E491-I495 WeakPolarHBondContact O-CD1 3.24Å; E491-I495 VanDerWaalsContact O-CG1 3.3Å; E491-I495 WeakPolarHBondContact O-CG1 3.28Å; E491-I495 PolarHBondContact O-N 3.04Å; E491-I495 VanDerWaalsContact O-N 3.09Å; T492-I495 PolarHBondContact O-N 3.42Å; I495-G497 VanDerWaalsContact C-N 3.28Å; I495-G497 PolarHBondContact O-N 3.06Å; I495-S498 PolarHBondContact O-N 2.85Å; I495-S498 PolarHBondContact O-OG 3.41Å; I495-L499 HydrophobicContact CG2-CD1 4.13Å; I495-L499 PolarHBondContact O-N 3.48Å; I495-I542 HydrophobicContact CD1-CD1 4.14Å; I495-I542 HydrophobicContact CD1-CG1 4.07Å; I495-I542 HydrophobicContact CG1-CD1 4.33Å; I495-I542 HydrophobicContact CG2-CD1 3.76Å |
| 496 | V | 87.6 | Confident | 84.4 | Confident | 71 Ų | 71 | 45.9 Ų | 45.9 | 43% | 0.43 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.9 | -41 | 177.5 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | T492 L499 L500 | T492-V496 HydrophobicContact CG2-CG2 4.18Å; T492-V496 VanDerWaalsContact O-CB 3.31Å; T492-V496 WeakPolarHBondContact O-CB 3.44Å; T492-V496 VanDerWaalsContact O-CG2 3.22Å; T492-V496 WeakPolarHBondContact O-CG2 3.43Å; T492-V496 PolarHBondContact O-N 2.8Å; V496-L499 PolarHBondContact O-N 3.32Å; V496-L500 HydrophobicContact CG1-CD1 3.77Å; V496-L500 HydrophobicContact CG1-CG 4.18Å; V496-L500 WeakPolarHBondContact O-CB 2.91Å; V496-L500 VanDerWaalsContact O-CG 3.26Å; V496-L500 WeakPolarHBondContact O-CG 3.3Å; V496-L500 PolarHBondContact O-N 2.85Å |
| 497 | G | 84.8 | Confident | 84.1 | Confident | 8 Ų | 8 | 50 Ų | 50 | 8% | 0.082 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -54.4 | -54.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | C493 T494 I495 L499 L500 F501 | C493-G497 WeakPolarHBondContact O-CA 3.48Å; C493-G497 PolarHBondContact O-N 3.31Å; T494-G497 PolarHBondContact O-N 3.3Å; I495-G497 VanDerWaalsContact C-N 3.28Å; I495-G497 PolarHBondContact O-N 3.06Å; G497-L499 PolarHBondContact O-N 3.48Å; G497-L500 PolarHBondContact O-N 2.84Å; G497-F501 WeakPolarHBondContact O-CB 3.27Å; G497-F501 WeakPolarHBondContact O-CD2 3.4Å; G497-F501 PolarHBondContact O-N 2.74Å |
| 498 | S | 84.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.4 | -42.2 | -179.8 | 70.4 | 0 | 0 | 0 | 0 | 112.9 | T494 I495 F501 I502 | T494-S498 PolarHBondContact O-N 2.85Å; I495-S498 PolarHBondContact O-N 2.85Å; I495-S498 PolarHBondContact O-OG 3.41Å; S498-F501 PolarHBondContact O-N 3.35Å; S498-I502 WeakPolarHBondContact O-CG1 3.4Å; S498-I502 PolarHBondContact O-N 3.36Å |
| 499 | L | 86.1 | Confident | 83.1 | Confident | 74 Ų | 74 | 51.3 Ų | 51.3 | 39% | 0.387 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.3 | -44.9 | 177.2 | -75.1 | 170.6 | 0 | 0 | 0 | 112.1 | I495 V496 G497 F501 I502 I503 I539 | I495-L499 HydrophobicContact CG2-CD1 4.13Å; I495-L499 PolarHBondContact O-N 3.48Å; V496-L499 PolarHBondContact O-N 3.32Å; G497-L499 PolarHBondContact O-N 3.48Å; L499-F501 VanDerWaalsContact C-N 3.3Å; L499-F501 PolarHBondContact O-N 3.01Å; L499-I502 PolarHBondContact O-N 3.27Å; L499-I503 WeakPolarHBondContact O-CB 3.35Å; L499-I503 VanDerWaalsContact O-CG1 3.28Å; L499-I503 WeakPolarHBondContact O-CG1 3.36Å; L499-I503 PolarHBondContact O-N 3.47Å; L499-I539 HydrophobicContact CD2-CD1 3.64Å; L499-I539 HydrophobicContact CD2-CG1 4.32Å; L499-I539 HydrophobicContact CG-CD1 4.36Å |
| 500 | L | 83.6 | Confident | 82.6 | Confident | 94 Ų | 94 | 50.3 Ų | 50.3 | 49% | 0.492 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 175.8 | -74.6 | 175 | 0 | 0 | 0 | 111 | F455 V496 G497 Y504 | F455-L500 HydrophobicContact CZ-CB 4.45Å; V496-L500 HydrophobicContact CG1-CD1 3.77Å; V496-L500 HydrophobicContact CG1-CG 4.18Å; V496-L500 WeakPolarHBondContact O-CB 2.91Å; V496-L500 VanDerWaalsContact O-CG 3.26Å; V496-L500 WeakPolarHBondContact O-CG 3.3Å; V496-L500 PolarHBondContact O-N 2.85Å; G497-L500 PolarHBondContact O-N 2.84Å; L500-Y504 WeakPolarHBondContact O-CB 3.48Å; L500-Y504 PolarHBondContact O-N 2.81Å |
| 501 | F | 79.2 | Confident | 82 | Confident | 3 Ų | 3 | 56.1 Ų | 56.1 | 1% | 0.013 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61 | -50.8 | 174.8 | -89.2 | -68.7 | 0 | 0 | 0 | 111.8 | W452 F455 L456 Y459 G497 S498 L499 I503 Q505 F531 | W452-F501 HydrophobicContact CE3-CD1 4.4Å; W452-F501 HydrophobicContact CE3-CE1 4.03Å; W452-F501 HydrophobicContact CZ3-CD1 4.03Å; W452-F501 HydrophobicContact CZ3-CE1 4.13Å; F455-F501 HydrophobicContact CB-CZ 4.23Å; F455-F501 HydrophobicContact CD1-CD1 4.09Å; F455-F501 HydrophobicContact CD1-CD2 4.1Å; F455-F501 AromaticContact CD1-CE1 3.35Å; F455-F501 HydrophobicContact CD1-CE1 3.35Å; F455-F501 AromaticContact CD1-CE2 3.33Å; F455-F501 HydrophobicContact CD1-CE2 3.33Å; F455-F501 HydrophobicContact CD1-CG 4.43Å; F455-F501 AromaticContact CD1-CZ 2.91Å; F455-F501 HydrophobicContact CD1-CZ 2.91Å; F455-F501 AromaticContact CE1-CD1 3.95Å; F455-F501 HydrophobicContact CE1-CD1 3.95Å; F455-F501 AromaticContact CE1-CD2 3.47Å; F455-F501 HydrophobicContact CE1-CD2 3.47Å; F455-F501 VanDerWaalsContact CE1-CD2 3.47Å; F455-F501 AromaticContact CE1-CE1 3.66Å; F455-F501 HydrophobicContact CE1-CE1 3.66Å; F455-F501 AromaticContact CE1-CE2 3.1Å; F455-F501 HydrophobicContact CE1-CE2 3.1Å; F455-F501 AromaticContact CE1-CG 3.88Å; F455-F501 HydrophobicContact CE1-CG 3.88Å; F455-F501 AromaticContact CE1-CZ 3.24Å; F455-F501 HydrophobicContact CE1-CZ 3.24Å; F455-F501 HydrophobicContact CG-CE1 4.44Å; F455-F501 HydrophobicContact CG-CE2 4.14Å; F455-F501 AromaticContact CG-CZ 3.74Å; F455-F501 HydrophobicContact CG-CZ 3.74Å; F455-F501 HydrophobicContact CZ-CD2 4.15Å; F455-F501 AromaticContact CZ-CE2 3.81Å; F455-F501 HydrophobicContact CZ-CE2 3.81Å; F455-F501 HydrophobicContact CZ-CZ 4.28Å; L456-F501 HydrophobicContact CB-CZ 4.3Å; L456-F501 HydrophobicContact CD1-CZ 4.35Å; Y459-F501 HydrophobicContact CD1-CE2 4.45Å; Y459-F501 HydrophobicContact CD2-CD2 4.37Å; Y459-F501 HydrophobicContact CD2-CE2 4.27Å; Y459-F501 HydrophobicContact CG-CD2 4.35Å; Y459-F501 AromaticContact CG-CE2 3.89Å; Y459-F501 HydrophobicContact CG-CE2 3.89Å; G497-F501 WeakPolarHBondContact O-CB 3.27Å; G497-F501 WeakPolarHBondContact O-CD2 3.4Å; G497-F501 PolarHBondContact O-N 2.74Å; S498-F501 PolarHBondContact O-N 3.35Å; L499-F501 VanDerWaalsContact C-N 3.3Å; L499-F501 PolarHBondContact O-N 3.01Å; F501-I503 PolarHBondContact O-N 3.35Å; F501-Q505 WeakPolarHBondContact O-CB 3.01Å; F501-Q505 PolarHBondContact O-N 3.37Å; F501-F531 HydrophobicContact CB-CZ 4.39Å; F501-F531 HydrophobicContact CD1-CZ 4.25Å; F501-F531 HydrophobicContact CG-CZ 4.39Å |
| 502 | I | 82 | Confident | 81.1 | Confident | 30 Ų | 30 | 63.1 Ų | 63.1 | 15% | 0.154 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.3 | -50.9 | 179.2 | -67.2 | 170.1 | 0 | 0 | 0 | 110.5 | S498 L499 S506 N535 I539 | S498-I502 WeakPolarHBondContact O-CG1 3.4Å; S498-I502 PolarHBondContact O-N 3.36Å; L499-I502 PolarHBondContact O-N 3.27Å; I502-S506 WeakPolarHBondContact O-CB 3.49Å; I502-S506 PolarHBondContact O-N 3.36Å; I502-S506 PolarHBondContact O-OG 3.24Å; I502-N535 HydrophobicContact CD1-CB 3.64Å; I502-N535 HydrophobicContact CG1-CB 3.68Å; I502-I539 HydrophobicContact CD1-CD1 3.33Å |
| 503 | I | 82.4 | Confident | 80.5 | Confident | 111 Ų | 111 | 62.9 Ų | 62.9 | 57% | 0.569 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -64.1 | -49.1 | -176.2 | -66.8 | 168.5 | 0 | 0 | 0 | 110.2 | L499 F501 F507 | L499-I503 WeakPolarHBondContact O-CB 3.35Å; L499-I503 VanDerWaalsContact O-CG1 3.28Å; L499-I503 WeakPolarHBondContact O-CG1 3.36Å; L499-I503 PolarHBondContact O-N 3.47Å; F501-I503 PolarHBondContact O-N 3.35Å; I503-F507 WeakPolarHBondContact O-CB 3.4Å; I503-F507 PolarHBondContact O-N 3.47Å |
| 504 | Y | 79.3 | Confident | 80 | Confident | 118 Ų | 118 | 61.9 Ų | 61.9 | 46% | 0.463 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -70.3 | -43 | -175.9 | -171.8 | -124.7 | 0 | 0 | 0 | 112.3 | H448 W452 L500 A508 | H448-Y504 PolarHBondContact NE2-OH 3.39Å; W452-Y504 AromaticContact CE2-CD1 3.87Å; W452-Y504 AromaticContact CE2-CE1 3.39Å; W452-Y504 AromaticContact CH2-CD1 3.28Å; W452-Y504 HydrophobicContact CH2-CD1 3.28Å; W452-Y504 AromaticContact CH2-CE1 3.67Å; W452-Y504 HydrophobicContact CH2-CE1 3.67Å; W452-Y504 HydrophobicContact CH2-CG 4.27Å; W452-Y504 AromaticContact CZ2-CD1 3.11Å; W452-Y504 HydrophobicContact CZ2-CD1 3.11Å; W452-Y504 AromaticContact CZ2-CE1 2.93Å; W452-Y504 HydrophobicContact CZ2-CE1 2.93Å; W452-Y504 HydrophobicContact CZ2-CG 4.27Å; W452-Y504 AromaticContact CZ2-CZ 3.95Å; W452-Y504 HydrophobicContact CZ3-CD1 4.2Å; W452-Y504 AromaticContact NE1-CE1 3.59Å; L500-Y504 WeakPolarHBondContact O-CB 3.48Å; L500-Y504 PolarHBondContact O-N 2.81Å; Y504-A508 WeakPolarHBondContact O-CB 3.32Å; Y504-A508 PolarHBondContact O-N 3.2Å |
| 505 | Q | 75.6 | Confident | 79.7 | Confident | 35 Ų | 35 | 67.8 Ų | 67.8 | 16% | 0.164 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66 | -54.7 | 179.1 | -179.5 | 65.5 | 15 | 0 | 0 | 111.6 | W452 F501 F507 A508 E509 | W452-Q505 HydrophobicContact CH2-CB 4.21Å; W452-Q505 HydrophobicContact CZ3-CB 4.44Å; W452-Q505 VanDerWaalsContact CZ3-OE1 3.24Å; F501-Q505 WeakPolarHBondContact O-CB 3.01Å; F501-Q505 PolarHBondContact O-N 3.37Å; Q505-F507 VanDerWaalsContact C-N 3.34Å; Q505-F507 PolarHBondContact O-N 3.36Å; Q505-A508 PolarHBondContact O-N 2.87Å; Q505-E509 PolarHBondContact NE2-OE1 3.16Å; Q505-E509 PolarHBondContact NE2-OE2 3.12Å; Q505-E509 VanDerWaalsContact NE2-OE2 3.11Å; Q505-E509 PolarHBondContact O-N 2.96Å |
| 506 | S | 76.6 | Confident | 79.3 | Confident | 31 Ų | 31 | 70.5 Ų | 70.5 | 22% | 0.217 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.4 | -42 | -177.6 | 63.2 | 0 | 0 | 0 | 0 | 111.3 | I502 I510 | I502-S506 WeakPolarHBondContact O-CB 3.49Å; I502-S506 PolarHBondContact O-N 3.36Å; I502-S506 PolarHBondContact O-OG 3.24Å; S506-I510 VanDerWaalsContact O-CB 3.3Å; S506-I510 WeakPolarHBondContact O-CB 3.48Å; S506-I510 VanDerWaalsContact O-CD1 3.29Å; S506-I510 WeakPolarHBondContact O-CD1 3.44Å; S506-I510 WeakPolarHBondContact O-CG1 3.29Å; S506-I510 PolarHBondContact O-N 3.05Å |
| 507 | F | 78.1 | Confident | 78.8 | Confident | 130 Ų | 130 | 75.7 Ų | 75.7 | 57% | 0.57 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64.9 | -44.4 | 177.9 | -174.1 | -98 | 0 | 0 | 0 | 112 | I503 Q505 M511 | I503-F507 WeakPolarHBondContact O-CB 3.4Å; I503-F507 PolarHBondContact O-N 3.47Å; Q505-F507 VanDerWaalsContact C-N 3.34Å; Q505-F507 PolarHBondContact O-N 3.36Å; F507-M511 HydrophobicContact CD1-CG 4.16Å; F507-M511 HydrophobicContact CD2-CG 4.5Å; F507-M511 HydrophobicContact CE1-CG 3.85Å; F507-M511 HydrophobicContact CE2-CG 4.21Å; F507-M511 HydrophobicContact CE2-SD 4.44Å; F507-M511 HydrophobicContact CG-CG 4.47Å; F507-M511 HydrophobicContact CZ-CE 4.3Å; F507-M511 HydrophobicContact CZ-CG 3.88Å; F507-M511 HydrophobicContact CZ-SD 4.12Å; F507-M511 WeakPolarHBondContact O-CB 3.2Å; F507-M511 WeakPolarHBondContact O-CG 3.38Å; F507-M511 PolarHBondContact O-N 3.05Å |
| 508 | A | 74.6 | Confident | 78.6 | Confident | 33 Ų | 33 | 76.2 Ų | 76.2 | 27% | 0.273 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y504 Q505 M512 | Y504-A508 WeakPolarHBondContact O-CB 3.32Å; Y504-A508 PolarHBondContact O-N 3.2Å; Q505-A508 PolarHBondContact O-N 2.87Å; A508-M512 WeakPolarHBondContact O-CB 3.19Å; A508-M512 WeakPolarHBondContact O-CG 3.32Å; A508-M512 PolarHBondContact O-N 3.44Å; A508-M512 VanDerWaalsContact O-N 3.14Å |
| 509 | E | 74.1 | Confident | 78.5 | Confident | 28 Ų | 28 | 79.3 Ų | 79.3 | 13% | 0.131 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -70.3 | -40.1 | -179 | -72.4 | -175.9 | 141 | 0 | 0 | 112.6 | Q505 M511 M512 Q513 Y518 Q528 | Q505-E509 PolarHBondContact NE2-OE1 3.16Å; Q505-E509 PolarHBondContact NE2-OE2 3.12Å; Q505-E509 VanDerWaalsContact NE2-OE2 3.11Å; Q505-E509 PolarHBondContact O-N 2.96Å; E509-M511 PolarHBondContact O-N 3.3Å; E509-M512 PolarHBondContact O-N 3.41Å; E509-Q513 WeakPolarHBondContact O-CB 3.18Å; E509-Q513 PolarHBondContact O-N 2.92Å; E509-Y518 HydrophobicContact CB-CD2 3.74Å; E509-Y518 HydrophobicContact CB-CE2 3.87Å; E509-Y518 VanDerWaalsContact OE2-CE2 3.32Å; E509-Y518 WeakPolarHBondContact OE2-CE2 3.49Å; E509-Q528 PolarHBondContact OE1-NE2 2.71Å |
| 510 | I | 78.4 | Confident | 78.2 | Confident | 58 Ų | 58 | 80.5 Ų | 80.5 | 30% | 0.297 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 177.2 | -68 | 166.2 | 0 | 0 | 0 | 110.9 | S506 M512 G514 Y518 | S506-I510 VanDerWaalsContact O-CB 3.3Å; S506-I510 WeakPolarHBondContact O-CB 3.48Å; S506-I510 VanDerWaalsContact O-CD1 3.29Å; S506-I510 WeakPolarHBondContact O-CD1 3.44Å; S506-I510 WeakPolarHBondContact O-CG1 3.29Å; S506-I510 PolarHBondContact O-N 3.05Å; I510-M512 VanDerWaalsContact C-N 3.32Å; I510-M512 PolarHBondContact O-N 3.08Å; I510-G514 VanDerWaalsContact O-CA 3.24Å; I510-G514 WeakPolarHBondContact O-CA 3.43Å; I510-G514 PolarHBondContact O-N 2.96Å; I510-Y518 HydrophobicContact CD1-CD1 4.28Å; I510-Y518 HydrophobicContact CD1-CE1 4.33Å; I510-Y518 HydrophobicContact CG1-CD1 3.82Å; I510-Y518 HydrophobicContact CG1-CD2 4.39Å; I510-Y518 HydrophobicContact CG1-CE1 4.24Å; I510-Y518 HydrophobicContact CG1-CG 3.89Å |
| 511 | M | 75 | Confident | 77.9 | Confident | 137 Ų | 137 | 77.8 Ų | 77.8 | 68% | 0.675 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65.4 | -35.6 | 177.3 | -73.3 | -70.8 | -80.3 | 0 | 0 | 112.3 | F507 E509 | F507-M511 HydrophobicContact CD1-CG 4.16Å; F507-M511 HydrophobicContact CD2-CG 4.5Å; F507-M511 HydrophobicContact CE1-CG 3.85Å; F507-M511 HydrophobicContact CE2-CG 4.21Å; F507-M511 HydrophobicContact CE2-SD 4.44Å; F507-M511 HydrophobicContact CG-CG 4.47Å; F507-M511 HydrophobicContact CZ-CE 4.3Å; F507-M511 HydrophobicContact CZ-CG 3.88Å; F507-M511 HydrophobicContact CZ-SD 4.12Å; F507-M511 WeakPolarHBondContact O-CB 3.2Å; F507-M511 WeakPolarHBondContact O-CG 3.38Å; F507-M511 PolarHBondContact O-N 3.05Å; E509-M511 PolarHBondContact O-N 3.3Å |
| 512 | M | 70.7 | Confident | 77.9 | Confident | 166 Ų | 166 | 78.5 Ų | 78.5 | 82% | 0.818 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -82.1 | -39.5 | -176.8 | -68.5 | -70.8 | -81.1 | 0 | 0 | 113.3 | A508 E509 I510 | A508-M512 WeakPolarHBondContact O-CB 3.19Å; A508-M512 WeakPolarHBondContact O-CG 3.32Å; A508-M512 PolarHBondContact O-N 3.44Å; A508-M512 VanDerWaalsContact O-N 3.14Å; E509-M512 PolarHBondContact O-N 3.41Å; I510-M512 VanDerWaalsContact C-N 3.32Å; I510-M512 PolarHBondContact O-N 3.08Å |
| 513 | Q | 73.6 | Confident | 77.6 | Confident | 79 Ų | 79 | 83.2 Ų | 83.2 | 37% | 0.369 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -106.9 | -21.2 | -171.8 | -59.3 | -177.5 | 5.4 | 0 | 0 | 113.7 | E509 R517 | E509-Q513 WeakPolarHBondContact O-CB 3.18Å; E509-Q513 PolarHBondContact O-N 2.92Å; Q513-R517 HydrophobicContact CB-CB 4.24Å; Q513-R517 WeakPolarHBondContact O-CB 3.37Å; Q513-R517 WeakPolarHBondContact O-CD 3.27Å |
| 514 | G | 78.4 | Confident | 77.3 | Confident | 30 Ų | 30 | 85 Ų | 85 | 31% | 0.309 | 43% | 0.432 | S | S | . | . | trans | 81.9 | 153.9 | -167.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I510 T516 R517 Y518 | I510-G514 VanDerWaalsContact O-CA 3.24Å; I510-G514 WeakPolarHBondContact O-CA 3.43Å; I510-G514 PolarHBondContact O-N 2.96Å; G514-T516 PolarHBondContact O-N 2.77Å; G514-R517 PolarHBondContact O-N 3.45Å; G514-Y518 WeakPolarHBondContact O-CB 3.22Å; G514-Y518 PolarHBondContact O-N 2.98Å | ||
| 515 | F | 81.1 | Confident | 77.1 | Confident | 134 Ų | 134 | 80.2 Ų | 80.2 | 59% | 0.588 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -60.9 | -41.8 | -169.7 | -175.8 | -100.4 | 0 | 0 | 0 | 114.4 | Y518 I519 | F515-Y518 WeakPolarHBondContact O-CB 3.14Å; F515-Y518 PolarHBondContact O-N 3.14Å; F515-I519 HydrophobicContact CE1-CG1 4.26Å; F515-I519 HydrophobicContact CZ-CD1 4.39Å; F515-I519 HydrophobicContact CZ-CG1 4.25Å; F515-I519 PolarHBondContact O-N 3.45Å |
| 516 | T | 78.8 | Confident | 77 | Confident | 110 Ų | 110 | 84.1 Ų | 84.1 | 68% | 0.675 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -69.3 | -41.3 | -177.5 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | G514 Y518 I519 V520 | G514-T516 PolarHBondContact O-N 2.77Å; T516-Y518 VanDerWaalsContact C-N 3.33Å; T516-I519 PolarHBondContact O-N 3.43Å; T516-V520 WeakPolarHBondContact O-CG2 3.43Å; T516-V520 PolarHBondContact O-N 3.09Å |
| 517 | R | 78 | Confident | 76.7 | Confident | 181 Ų | 181 | 83 Ų | 83 | 68% | 0.683 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -68.9 | -35.5 | 175.9 | -68.3 | -174.3 | -178.7 | 166.4 | -0.2 | 111.5 | Q513 G514 V520 S521 | Q513-R517 HydrophobicContact CB-CB 4.24Å; Q513-R517 WeakPolarHBondContact O-CB 3.37Å; Q513-R517 WeakPolarHBondContact O-CD 3.27Å; G514-R517 PolarHBondContact O-N 3.45Å; R517-V520 PolarHBondContact O-N 3.48Å; R517-S521 VanDerWaalsContact O-CB 3.3Å; R517-S521 WeakPolarHBondContact O-CB 3.2Å; R517-S521 PolarHBondContact O-N 2.84Å |
| 518 | Y | 81.3 | Confident | 76.6 | Confident | 18 Ų | 18 | 77.9 Ų | 77.9 | 7% | 0.071 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -58 | -47.7 | 174.4 | 172.6 | -107.9 | 0 | 0 | 0 | 112 | E509 I510 G514 F515 T516 V520 S521 L522 | E509-Y518 HydrophobicContact CB-CD2 3.74Å; E509-Y518 HydrophobicContact CB-CE2 3.87Å; E509-Y518 VanDerWaalsContact OE2-CE2 3.32Å; E509-Y518 WeakPolarHBondContact OE2-CE2 3.49Å; I510-Y518 HydrophobicContact CD1-CD1 4.28Å; I510-Y518 HydrophobicContact CD1-CE1 4.33Å; I510-Y518 HydrophobicContact CG1-CD1 3.82Å; I510-Y518 HydrophobicContact CG1-CD2 4.39Å; I510-Y518 HydrophobicContact CG1-CE1 4.24Å; I510-Y518 HydrophobicContact CG1-CG 3.89Å; G514-Y518 WeakPolarHBondContact O-CB 3.22Å; G514-Y518 PolarHBondContact O-N 2.98Å; F515-Y518 WeakPolarHBondContact O-CB 3.14Å; F515-Y518 PolarHBondContact O-N 3.14Å; T516-Y518 VanDerWaalsContact C-N 3.33Å; Y518-V520 PolarHBondContact O-N 3.43Å; Y518-S521 WeakPolarHBondContact O-CB 3.45Å; Y518-S521 PolarHBondContact O-N 3.47Å; Y518-L522 WeakPolarHBondContact O-CB 3.21Å; Y518-L522 PolarHBondContact O-N 3.3Å |
| 519 | I | 81.8 | Confident | 76.8 | Confident | 66 Ų | 66 | 79.2 Ų | 79.2 | 34% | 0.338 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 178.6 | -63.4 | -61.5 | 0 | 0 | 0 | 112 | F515 T516 S521 L522 L523 | F515-I519 HydrophobicContact CE1-CG1 4.26Å; F515-I519 HydrophobicContact CZ-CD1 4.39Å; F515-I519 HydrophobicContact CZ-CG1 4.25Å; F515-I519 PolarHBondContact O-N 3.45Å; T516-I519 PolarHBondContact O-N 3.43Å; I519-S521 VanDerWaalsContact C-N 3.34Å; I519-L522 PolarHBondContact O-N 2.92Å; I519-L523 HydrophobicContact CG2-CD1 4.17Å; I519-L523 WeakPolarHBondContact O-CG 3.43Å; I519-L523 PolarHBondContact O-N 3.21Å |
| 520 | V | 79.2 | Confident | 77.1 | Confident | 99 Ų | 99 | 80.2 Ų | 80.2 | 60% | 0.6 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -65.8 | -39.5 | 176.4 | 175.6 | 0 | 0 | 0 | 0 | 111 | T516 R517 Y518 L523 N524 | T516-V520 WeakPolarHBondContact O-CG2 3.43Å; T516-V520 PolarHBondContact O-N 3.09Å; R517-V520 PolarHBondContact O-N 3.48Å; Y518-V520 PolarHBondContact O-N 3.43Å; V520-L523 PolarHBondContact O-N 2.86Å; V520-N524 WeakPolarHBondContact O-CB 3.5Å; V520-N524 PolarHBondContact O-N 2.99Å; V520-N524 VanDerWaalsContact O-N 3.08Å |
| 521 | S | 79.1 | Confident | 77.1 | Confident | 36 Ų | 36 | 79 Ų | 79 | 25% | 0.252 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60 | -51 | 174.5 | -174.9 | 0 | 0 | 0 | 0 | 110.6 | R517 Y518 I519 L523 N524 S525 | R517-S521 VanDerWaalsContact O-CB 3.3Å; R517-S521 WeakPolarHBondContact O-CB 3.2Å; R517-S521 PolarHBondContact O-N 2.84Å; Y518-S521 WeakPolarHBondContact O-CB 3.45Å; Y518-S521 PolarHBondContact O-N 3.47Å; I519-S521 VanDerWaalsContact C-N 3.34Å; S521-L523 VanDerWaalsContact C-N 3.29Å; S521-L523 PolarHBondContact O-N 2.86Å; S521-N524 PolarHBondContact O-N 3.39Å; S521-S525 PolarHBondContact O-N 3.34Å; S521-S525 PolarHBondContact O-OG 3.11Å |
| 522 | L | 77.7 | Confident | 77.4 | Confident | 18 Ų | 18 | 74.4 Ų | 74.4 | 9% | 0.094 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -57.8 | -40 | -179.7 | -175.4 | 69.1 | 0 | 0 | 0 | 112.3 | Y518 I519 Q528 L529 L532 | Y518-L522 WeakPolarHBondContact O-CB 3.21Å; Y518-L522 PolarHBondContact O-N 3.3Å; I519-L522 PolarHBondContact O-N 2.92Å; L522-Q528 HydrophobicContact CD1-CB 3.74Å; L522-L529 HydrophobicContact CG-CD1 4.45Å; L522-L532 HydrophobicContact CD1-CD2 4.28Å; L522-L532 HydrophobicContact CD2-CD2 3.71Å |
| 523 | L | 76.7 | Confident | 78.1 | Confident | 130 Ų | 130 | 70.5 Ų | 70.5 | 68% | 0.681 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -72.3 | -29.7 | 177.6 | -73.7 | 171.7 | 0 | 0 | 0 | 113.4 | I519 V520 S521 | I519-L523 HydrophobicContact CG2-CD1 4.17Å; I519-L523 WeakPolarHBondContact O-CG 3.43Å; I519-L523 PolarHBondContact O-N 3.21Å; V520-L523 PolarHBondContact O-N 2.86Å; S521-L523 VanDerWaalsContact C-N 3.29Å; S521-L523 PolarHBondContact O-N 2.86Å |
| 524 | N | 75.5 | Confident | 78.7 | Confident | 149 Ų | 149 | 67 Ų | 67 | 80% | 0.797 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -84.4 | -28.7 | -178.7 | -162.4 | 43.1 | 0 | 0 | 0 | 112.4 | V520 S521 | V520-N524 WeakPolarHBondContact O-CB 3.5Å; V520-N524 PolarHBondContact O-N 2.99Å; V520-N524 VanDerWaalsContact O-N 3.08Å; S521-N524 PolarHBondContact O-N 3.39Å |
| 525 | S | 74.7 | Confident | 79 | Confident | 17 Ų | 17 | 65.6 Ų | 65.6 | 12% | 0.119 | 33% | 0.331 | C | S | . | . | trans | -100.6 | 99.6 | 177.8 | 58.4 | 0 | 0 | 0 | 0 | 111.9 | S521 D527 Q528 L529 | S521-S525 PolarHBondContact O-N 3.34Å; S521-S525 PolarHBondContact O-OG 3.11Å; S525-D527 WeakPolarHBondContact CB-OD1 3.43Å; S525-D527 PolarHBondContact O-N 3.42Å; S525-Q528 PolarHBondContact O-N 2.8Å; S525-Q528 VanDerWaalsContact O-N 3.17Å; S525-Q528 WeakPolarHBondContact OG-CB 3.33Å; S525-Q528 VanDerWaalsContact OG-CD 3.23Å; S525-Q528 VanDerWaalsContact OG-CG 3.24Å; S525-Q528 WeakPolarHBondContact OG-CG 3.21Å; S525-Q528 PolarHBondContact OG-OE1 3.49Å; S525-L529 PolarHBondContact O-N 2.75Å | ||
| 526 | F | 74.7 | Confident | 79.3 | Confident | 117 Ų | 117 | 64.3 Ų | 64.3 | 51% | 0.513 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -53.2 | -36.6 | 179.6 | 176.7 | -104.2 | 0 | 0 | 0 | 113.7 | L529 L530 Y586 | F526-L529 PolarHBondContact O-N 2.82Å; F526-L530 HydrophobicContact CE1-CD2 4.4Å; F526-L530 WeakPolarHBondContact O-CB 3.42Å; F526-L530 PolarHBondContact O-N 2.89Å; F526-Y586 HydrophobicContact CD1-CD1 4.24Å; F526-Y586 AromaticContact CD1-CE1 3.99Å; F526-Y586 HydrophobicContact CD1-CE1 3.99Å |
| 527 | D | 70.2 | Confident | 79.8 | Confident | 8 Ų | 8 | 61.1 Ų | 61.1 | 4% | 0.043 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 178.6 | 52 | -71.5 | 0 | 0 | 0 | 113.6 | S525 L529 L530 F531 F570 R573 | S525-D527 WeakPolarHBondContact CB-OD1 3.43Å; S525-D527 PolarHBondContact O-N 3.42Å; D527-L529 VanDerWaalsContact C-N 3.33Å; D527-L530 PolarHBondContact O-N 3.47Å; D527-F531 PolarHBondContact O-N 2.93Å; D527-F570 HydrophobicContact CB-CD2 4.32Å; D527-F570 WeakPolarHBondContact OD2-CD2 3.22Å; D527-F570 WeakPolarHBondContact OD2-CE2 3.39Å; D527-R573 IonicContact OD1-CZ 2.82Å; D527-R573 IonicContact OD1-NH1 3.51Å; D527-R573 PolarHBondContact OD1-NH1 3.07Å; D527-R573 IonicContact OD2-CZ 3.24Å; D527-R573 IonicContact OD2-NH1 2.94Å; D527-R573 PolarHBondContact OD2-NH1 3.36Å; D527-R573 IonicContact OD2-NH2 3.38Å; D527-R573 PolarHBondContact OD2-NH2 3.48Å |
| 528 | Q | 74.9 | Confident | 80.2 | Confident | 22 Ų | 22 | 53.2 Ų | 53.2 | 10% | 0.103 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.5 | -39.5 | 178.5 | -64.7 | -169.7 | -27.3 | 0 | 0 | 111.1 | E509 L522 S525 F531 L532 F570 | E509-Q528 PolarHBondContact OE1-NE2 2.71Å; L522-Q528 HydrophobicContact CD1-CB 3.74Å; S525-Q528 PolarHBondContact O-N 2.8Å; S525-Q528 VanDerWaalsContact O-N 3.17Å; S525-Q528 WeakPolarHBondContact OG-CB 3.33Å; S525-Q528 VanDerWaalsContact OG-CD 3.23Å; S525-Q528 VanDerWaalsContact OG-CG 3.24Å; S525-Q528 WeakPolarHBondContact OG-CG 3.21Å; S525-Q528 PolarHBondContact OG-OE1 3.49Å; Q528-F531 PolarHBondContact O-N 3.21Å; Q528-L532 WeakPolarHBondContact O-CB 3.27Å; Q528-L532 PolarHBondContact O-N 3.18Å; Q528-F570 HydrophobicContact CG-CE2 4.07Å |
| 529 | L | 79.6 | Confident | 80.5 | Confident | 60 Ų | 60 | 54.5 Ų | 54.5 | 31% | 0.314 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 176.6 | -176.9 | 66.7 | 0 | 0 | 0 | 111.3 | L522 S525 F526 D527 F531 L532 I533 | L522-L529 HydrophobicContact CG-CD1 4.45Å; S525-L529 PolarHBondContact O-N 2.75Å; F526-L529 PolarHBondContact O-N 2.82Å; D527-L529 VanDerWaalsContact C-N 3.33Å; L529-F531 VanDerWaalsContact C-N 3.3Å; L529-F531 PolarHBondContact O-N 2.63Å; L529-L532 PolarHBondContact O-N 3.38Å; L529-I533 HydrophobicContact CD1-CD1 4.31Å; L529-I533 HydrophobicContact CG-CD1 3.99Å; L529-I533 VanDerWaalsContact O-CG1 3.29Å; L529-I533 WeakPolarHBondContact O-CG1 3.23Å; L529-I533 PolarHBondContact O-N 3.41Å |
| 530 | L | 80.4 | Confident | 80.8 | Confident | 49 Ų | 49 | 54 Ų | 54 | 26% | 0.257 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.4 | -41.6 | 177.4 | -170.9 | 67.6 | 0 | 0 | 0 | 111.2 | F526 D527 I533 E534 L566 M567 | F526-L530 HydrophobicContact CE1-CD2 4.4Å; F526-L530 WeakPolarHBondContact O-CB 3.42Å; F526-L530 PolarHBondContact O-N 2.89Å; D527-L530 PolarHBondContact O-N 3.47Å; L530-I533 PolarHBondContact O-N 2.87Å; L530-E534 PolarHBondContact O-N 3.02Å; L530-L566 HydrophobicContact CD2-CB 4.35Å; L530-L566 HydrophobicContact CD2-CD1 4.28Å; L530-M567 HydrophobicContact CB-CE 4Å; L530-M567 HydrophobicContact CD2-CE 3.88Å; L530-M567 HydrophobicContact CG-CE 3.62Å |
| 531 | F | 77.1 | Confident | 81.1 | Confident | 34 Ų | 34 | 49.9 Ų | 49.9 | 15% | 0.149 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 177.6 | -176 | -116.3 | 0 | 0 | 0 | 112.2 | L456 F501 D527 Q528 L529 I533 E534 N535 M567 | L456-F531 HydrophobicContact CD1-CE2 4.35Å; F501-F531 HydrophobicContact CB-CZ 4.39Å; F501-F531 HydrophobicContact CD1-CZ 4.25Å; F501-F531 HydrophobicContact CG-CZ 4.39Å; D527-F531 PolarHBondContact O-N 2.93Å; Q528-F531 PolarHBondContact O-N 3.21Å; L529-F531 VanDerWaalsContact C-N 3.3Å; L529-F531 PolarHBondContact O-N 2.63Å; F531-I533 VanDerWaalsContact C-N 3.33Å; F531-I533 PolarHBondContact O-N 3.4Å; F531-E534 PolarHBondContact O-N 3.43Å; F531-N535 WeakPolarHBondContact CD2-ND2 3.35Å; F531-N535 WeakPolarHBondContact CE1-ND2 3.39Å; F531-N535 WeakPolarHBondContact CE2-ND2 3.32Å; F531-N535 WeakPolarHBondContact CZ-ND2 3.37Å; F531-N535 PolarHBondContact O-N 3.05Å; F531-N535 VanDerWaalsContact O-N 3.12Å; F531-N535 PolarHBondContact O-ND2 3.34Å; F531-M567 VanDerWaalsContact CA-CE 3.44Å; F531-M567 HydrophobicContact CB-CE 4.04Å; F531-M567 HydrophobicContact CB-SD 3.5Å; F531-M567 VanDerWaalsContact CB-SD 3.5Å; F531-M567 HydrophobicContact CD2-CB 4.4Å; F531-M567 HydrophobicContact CD2-CE 4.38Å; F531-M567 HydrophobicContact CD2-CG 3.68Å; F531-M567 HydrophobicContact CD2-SD 3.49Å; F531-M567 WeakPolarHBondContact CD2-SD 3.16Å; F531-M567 HydrophobicContact CE2-CG 4.32Å; F531-M567 HydrophobicContact CG-SD 3.94Å |
| 532 | L | 81.9 | Confident | 81.4 | Confident | 40 Ų | 40 | 51.2 Ų | 51.2 | 21% | 0.209 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 178.4 | -174.6 | 64.4 | 0 | 0 | 0 | 110.8 | L522 Q528 L529 N535 F536 | L522-L532 HydrophobicContact CD1-CD2 4.28Å; L522-L532 HydrophobicContact CD2-CD2 3.71Å; Q528-L532 WeakPolarHBondContact O-CB 3.27Å; Q528-L532 PolarHBondContact O-N 3.18Å; L529-L532 PolarHBondContact O-N 3.38Å; L532-N535 PolarHBondContact O-N 3.22Å; L532-F536 HydrophobicContact CD1-CD2 4.01Å; L532-F536 HydrophobicContact CD1-CE2 3.5Å; L532-F536 VanDerWaalsContact CD1-CE2 3.5Å; L532-F536 HydrophobicContact CD1-CZ 4.4Å; L532-F536 HydrophobicContact CD2-CE2 4.2Å; L532-F536 HydrophobicContact CG-CD2 3.87Å; L532-F536 HydrophobicContact CG-CE2 3.62Å; L532-F536 WeakPolarHBondContact O-CD2 3.44Å; L532-F536 PolarHBondContact O-N 3.42Å; L532-F536 VanDerWaalsContact O-N 3.11Å |
| 533 | I | 85.9 | Confident | 81.8 | Confident | 83 Ų | 83 | 53.4 Ų | 53.4 | 43% | 0.426 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 177.8 | -68.5 | 166.9 | 0 | 0 | 0 | 111 | L529 L530 F531 N535 F536 L537 | L529-I533 HydrophobicContact CD1-CD1 4.31Å; L529-I533 HydrophobicContact CG-CD1 3.99Å; L529-I533 VanDerWaalsContact O-CG1 3.29Å; L529-I533 WeakPolarHBondContact O-CG1 3.23Å; L529-I533 PolarHBondContact O-N 3.41Å; L530-I533 PolarHBondContact O-N 2.87Å; F531-I533 VanDerWaalsContact C-N 3.33Å; F531-I533 PolarHBondContact O-N 3.4Å; I533-N535 PolarHBondContact O-N 2.91Å; I533-F536 PolarHBondContact O-N 3.29Å; I533-L537 HydrophobicContact CG2-CD1 3.99Å; I533-L537 HydrophobicContact CG2-CG 4.29Å; I533-L537 VanDerWaalsContact O-CG 3.32Å; I533-L537 WeakPolarHBondContact O-CG 3.49Å; I533-L537 PolarHBondContact O-N 3.13Å |
| 534 | E | 85.6 | Confident | 82.2 | Confident | 6 Ų | 6 | 48.2 Ų | 48.2 | 3% | 0.028 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.2 | -48.9 | 179.1 | -175.1 | -145.1 | 149.7 | 0 | 0 | 112.2 | L530 F531 F536 L537 V538 V560 S564 M567 | L530-E534 PolarHBondContact O-N 3.02Å; F531-E534 PolarHBondContact O-N 3.43Å; E534-F536 VanDerWaalsContact C-N 3.27Å; E534-F536 PolarHBondContact O-N 2.93Å; E534-L537 WeakPolarHBondContact O-CB 3.48Å; E534-L537 PolarHBondContact O-N 3.07Å; E534-V538 WeakPolarHBondContact O-CG2 3.32Å; E534-V538 PolarHBondContact O-N 2.87Å; E534-V560 HydrophobicContact CG-CG1 4.09Å; E534-S564 VanDerWaalsContact CD-CA 3.41Å; E534-S564 WeakPolarHBondContact OE1-CA 3.39Å; E534-S564 WeakPolarHBondContact OE1-CB 3.46Å; E534-S564 VanDerWaalsContact OE2-CA 3.31Å; E534-S564 WeakPolarHBondContact OE2-CA 3.39Å; E534-M567 HydrophobicContact CB-CE 4.48Å; E534-M567 VanDerWaalsContact OE2-CG 3.31Å; E534-M567 WeakPolarHBondContact OE2-CG 3.24Å |
| 535 | N | 85.4 | Confident | 82.6 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.6 | -35.2 | 179.8 | -75.1 | -79.6 | 0 | 0 | 0 | 111.8 | I502 F531 L532 I533 I539 | I502-N535 HydrophobicContact CD1-CB 3.64Å; I502-N535 HydrophobicContact CG1-CB 3.68Å; F531-N535 WeakPolarHBondContact CD2-ND2 3.35Å; F531-N535 WeakPolarHBondContact CE1-ND2 3.39Å; F531-N535 WeakPolarHBondContact CE2-ND2 3.32Å; F531-N535 WeakPolarHBondContact CZ-ND2 3.37Å; F531-N535 PolarHBondContact O-N 3.05Å; F531-N535 VanDerWaalsContact O-N 3.12Å; F531-N535 PolarHBondContact O-ND2 3.34Å; L532-N535 PolarHBondContact O-N 3.22Å; I533-N535 PolarHBondContact O-N 2.91Å; N535-I539 WeakPolarHBondContact O-CG1 3.4Å; N535-I539 PolarHBondContact O-N 2.8Å |
| 536 | F | 87.3 | Confident | 83 | Confident | 106 Ų | 106 | 47.8 Ų | 47.8 | 47% | 0.465 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.7 | -40.4 | 171.1 | -82.3 | -62.6 | 0 | 0 | 0 | 112.3 | L532 I533 E534 V538 I539 C540 | L532-F536 HydrophobicContact CD1-CD2 4.01Å; L532-F536 HydrophobicContact CD1-CE2 3.5Å; L532-F536 VanDerWaalsContact CD1-CE2 3.5Å; L532-F536 HydrophobicContact CD1-CZ 4.4Å; L532-F536 HydrophobicContact CD2-CE2 4.2Å; L532-F536 HydrophobicContact CG-CD2 3.87Å; L532-F536 HydrophobicContact CG-CE2 3.62Å; L532-F536 WeakPolarHBondContact O-CD2 3.44Å; L532-F536 PolarHBondContact O-N 3.42Å; L532-F536 VanDerWaalsContact O-N 3.11Å; I533-F536 PolarHBondContact O-N 3.29Å; E534-F536 VanDerWaalsContact C-N 3.27Å; E534-F536 PolarHBondContact O-N 2.93Å; F536-V538 VanDerWaalsContact C-N 3.35Å; F536-V538 PolarHBondContact O-N 3.46Å; F536-I539 PolarHBondContact O-N 3.42Å; F536-C540 WeakPolarHBondContact O-CB 3.01Å; F536-C540 PolarHBondContact O-N 3.22Å; F536-C540 PolarHBondContact O-SG 2.8Å |
| 537 | L | 88.4 | Confident | 83.5 | Confident | 44 Ų | 44 | 48 Ų | 48 | 23% | 0.23 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.8 | -38.6 | 176.9 | -67.3 | 172 | 0 | 0 | 0 | 112 | I533 E534 I539 C540 C541 L556 I559 V560 | I533-L537 HydrophobicContact CG2-CD1 3.99Å; I533-L537 HydrophobicContact CG2-CG 4.29Å; I533-L537 VanDerWaalsContact O-CG 3.32Å; I533-L537 WeakPolarHBondContact O-CG 3.49Å; I533-L537 PolarHBondContact O-N 3.13Å; E534-L537 WeakPolarHBondContact O-CB 3.48Å; E534-L537 PolarHBondContact O-N 3.07Å; L537-I539 VanDerWaalsContact C-N 3.35Å; L537-C540 WeakPolarHBondContact O-CB 3.39Å; L537-C540 PolarHBondContact O-N 3.33Å; L537-C541 PolarHBondContact O-N 2.83Å; L537-C541 PolarHBondContact O-SG 3.43Å; L537-L556 HydrophobicContact CD2-CD2 3.71Å; L537-I559 HydrophobicContact CD1-CG2 4.13Å; L537-V560 HydrophobicContact CB-CG2 3.58Å; L537-V560 HydrophobicContact CD1-CG2 4.3Å |
| 538 | V | 86.9 | Confident | 84 | Confident | 15 Ų | 15 | 50.3 Ų | 50.3 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 173.6 | 173 | 0 | 0 | 0 | 0 | 111.1 | E534 F536 C540 C541 V560 | E534-V538 WeakPolarHBondContact O-CG2 3.32Å; E534-V538 PolarHBondContact O-N 2.87Å; F536-V538 VanDerWaalsContact C-N 3.35Å; F536-V538 PolarHBondContact O-N 3.46Å; V538-C540 VanDerWaalsContact C-N 3.33Å; V538-C541 WeakPolarHBondContact O-CB 3.45Å; V538-C541 PolarHBondContact O-N 3.2Å; V538-V560 HydrophobicContact CG2-CG1 3.6Å; V538-V560 HydrophobicContact CG2-CG2 4.19Å |
| 539 | I | 86.7 | Confident | 84.5 | Confident | 44 Ų | 44 | 56 Ų | 56 | 23% | 0.226 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.4 | -36 | 177 | -67 | 170 | 0 | 0 | 0 | 111 | L499 I502 N535 F536 L537 C541 I542 P543 | L499-I539 HydrophobicContact CD2-CD1 3.64Å; L499-I539 HydrophobicContact CD2-CG1 4.32Å; L499-I539 HydrophobicContact CG-CD1 4.36Å; I502-I539 HydrophobicContact CD1-CD1 3.33Å; N535-I539 WeakPolarHBondContact O-CG1 3.4Å; N535-I539 PolarHBondContact O-N 2.8Å; F536-I539 PolarHBondContact O-N 3.42Å; L537-I539 VanDerWaalsContact C-N 3.35Å; I539-C541 PolarHBondContact O-N 3.16Å; I539-I542 WeakPolarHBondContact O-CB 3.35Å; I539-I542 PolarHBondContact O-N 2.87Å; I539-I542 VanDerWaalsContact O-N 3.12Å; I539-P543 WeakPolarHBondContact O-CD 3.36Å |
| 540 | C | 88.4 | Confident | 84.5 | Confident | 57 Ų | 57 | 55.2 Ų | 55.2 | 39% | 0.385 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.7 | -21 | 175.9 | -73.6 | 0 | 0 | 0 | 0 | 113.7 | F536 L537 V538 I542 P543 C544 L556 | F536-C540 WeakPolarHBondContact O-CB 3.01Å; F536-C540 PolarHBondContact O-N 3.22Å; F536-C540 PolarHBondContact O-SG 2.8Å; L537-C540 WeakPolarHBondContact O-CB 3.39Å; L537-C540 PolarHBondContact O-N 3.33Å; V538-C540 VanDerWaalsContact C-N 3.33Å; C540-I542 PolarHBondContact O-N 3.36Å; C540-P543 VanDerWaalsContact O-CD 3.32Å; C540-P543 WeakPolarHBondContact O-CD 3.49Å; C540-P543 WeakPolarHBondContact O-CG 3.3Å; C540-C544 PolarHBondContact O-N 3.14Å; C540-C544 PolarHBondContact O-SG 2.84Å; C540-L556 HydrophobicContact CB-CD1 4.47Å |
| 541 | C | 85.8 | Confident | 84.6 | Confident | 12 Ų | 12 | 58.4 Ų | 58.4 | 8% | 0.081 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.1 | -30.7 | 173.2 | -64.5 | 0 | 0 | 0 | 0 | 112.3 | L537 V538 I539 C544 R545 E553 | L537-C541 PolarHBondContact O-N 2.83Å; L537-C541 PolarHBondContact O-SG 3.43Å; V538-C541 WeakPolarHBondContact O-CB 3.45Å; V538-C541 PolarHBondContact O-N 3.2Å; I539-C541 PolarHBondContact O-N 3.16Å; C541-C544 PolarHBondContact O-N 3.08Å; C541-R545 WeakPolarHBondContact O-CB 3.37Å; C541-R545 PolarHBondContact O-N 2.81Å; C541-E553 HydrophobicContact CB-CG 4.32Å |
| 542 | I | 85.6 | Confident | 85 | Confident | 63 Ų | 63 | 60.2 Ų | 60.2 | 32% | 0.323 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.5 | -54.9 | -179.2 | -57 | 168 | 0 | 0 | 0 | 111.6 | I495 I539 C540 C544 R545 L546 | I495-I542 HydrophobicContact CD1-CD1 4.14Å; I495-I542 HydrophobicContact CD1-CG1 4.07Å; I495-I542 HydrophobicContact CG1-CD1 4.33Å; I495-I542 HydrophobicContact CG2-CD1 3.76Å; I539-I542 WeakPolarHBondContact O-CB 3.35Å; I539-I542 PolarHBondContact O-N 2.87Å; I539-I542 VanDerWaalsContact O-N 3.12Å; C540-I542 PolarHBondContact O-N 3.36Å; I542-C544 VanDerWaalsContact C-N 3.31Å; I542-C544 PolarHBondContact O-N 3.18Å; I542-R545 PolarHBondContact O-N 3.46Å; I542-L546 HydrophobicContact CG2-CD1 4.31Å; I542-L546 WeakPolarHBondContact O-CG 3.49Å; I542-L546 PolarHBondContact O-N 2.99Å |
| 543 | P | 86.4 | Confident | 85.2 | Confident | 65 Ų | 65 | 58.6 Ų | 58.6 | 42% | 0.422 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.3 | -36.4 | 174.4 | 6.6 | -12.9 | 0 | 0 | 0 | 113.3 | I539 C540 R545 L546 L547 | I539-P543 WeakPolarHBondContact O-CD 3.36Å; C540-P543 VanDerWaalsContact O-CD 3.32Å; C540-P543 WeakPolarHBondContact O-CD 3.49Å; C540-P543 WeakPolarHBondContact O-CG 3.3Å; P543-R545 VanDerWaalsContact C-N 3.31Å; P543-R545 PolarHBondContact O-N 3.17Å; P543-L546 PolarHBondContact O-N 3.13Å; P543-L547 WeakPolarHBondContact O-CB 3.43Å; P543-L547 WeakPolarHBondContact O-CG 3.04Å; P543-L547 PolarHBondContact O-N 2.6Å |
| 544 | C | 86 | Confident | 85.2 | Confident | 20 Ų | 20 | 59.3 Ų | 59.3 | 14% | 0.135 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.4 | -40.2 | 176.9 | -64.4 | 0 | 0 | 0 | 0 | 111.7 | C540 C541 I542 L547 G548 Y549 E553 | C540-C544 PolarHBondContact O-N 3.14Å; C540-C544 PolarHBondContact O-SG 2.84Å; C541-C544 PolarHBondContact O-N 3.08Å; I542-C544 VanDerWaalsContact C-N 3.31Å; I542-C544 PolarHBondContact O-N 3.18Å; C544-L547 PolarHBondContact O-N 3.15Å; C544-G548 PolarHBondContact O-N 3.04Å; C544-G548 VanDerWaalsContact O-N 3.17Å; C544-Y549 PolarHBondContact O-N 2.99Å; C544-E553 HydrophobicContact CB-CB 4.47Å |
| 545 | R | 82.8 | Confident | 85.3 | Confident | 36 Ų | 36 | 63.3 Ų | 63.3 | 14% | 0.136 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.5 | -39.4 | 176.7 | -163.1 | 169.5 | -163.1 | 146.5 | -12.9 | 112.4 | L476 W477 Y479 E491 C541 I542 P543 L547 G548 E553 | L476-R545 PolarHBondContact O-NH2 3.38Å; L476-R545 VanDerWaalsContact O-NH2 3.07Å; W477-R545 HydrophobicContact CZ2-CG 4.2Å; Y479-R545 PolarHBondContact OH-NH2 3.31Å; E491-R545 IonicContact OE1-CZ 3.14Å; E491-R545 IonicContact OE1-NH1 2.54Å; E491-R545 PolarHBondContact OE1-NH1 2.83Å; E491-R545 IonicContact OE1-NH2 2.99Å; E491-R545 PolarHBondContact OE1-NH2 2.87Å; E491-R545 IonicContact OE2-CZ 2.9Å; E491-R545 IonicContact OE2-NH1 3.74Å; E491-R545 IonicContact OE2-NH2 3.6Å; E491-R545 PolarHBondContact OE2-NH2 3.08Å; C541-R545 WeakPolarHBondContact O-CB 3.37Å; C541-R545 PolarHBondContact O-N 2.81Å; I542-R545 PolarHBondContact O-N 3.46Å; P543-R545 VanDerWaalsContact C-N 3.31Å; P543-R545 PolarHBondContact O-N 3.17Å; R545-L547 VanDerWaalsContact C-N 3.34Å; R545-G548 PolarHBondContact O-N 3.4Å; R545-E553 IonicContact CZ-OE1 2.88Å; R545-E553 IonicContact NH1-OE1 3.58Å; R545-E553 PolarHBondContact NH1-OE1 3.26Å; R545-E553 VanDerWaalsContact NH1-OE1 3.15Å |
| 546 | L | 82.3 | Confident | 85.5 | Confident | 122 Ų | 122 | 64.4 Ų | 64.4 | 64% | 0.639 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -66.2 | -35 | 175.5 | -70.9 | 170.8 | 0 | 0 | 0 | 112.8 | W477 I542 P543 G548 | W477-L546 HydrophobicContact CH2-CD2 3.95Å; W477-L546 HydrophobicContact CZ2-CD2 4.4Å; I542-L546 HydrophobicContact CG2-CD1 4.31Å; I542-L546 WeakPolarHBondContact O-CG 3.49Å; I542-L546 PolarHBondContact O-N 2.99Å; P543-L546 PolarHBondContact O-N 3.13Å; L546-G548 VanDerWaalsContact C-N 3.29Å |
| 547 | L | 86.6 | Confident | 85.5 | Confident | 122 Ų | 122 | 61.1 Ų | 61.1 | 64% | 0.639 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -5.6 | 177.3 | -67.5 | 171.1 | 0 | 0 | 0 | 113.4 | P543 C544 R545 Y549 | P543-L547 WeakPolarHBondContact O-CB 3.43Å; P543-L547 WeakPolarHBondContact O-CG 3.04Å; P543-L547 PolarHBondContact O-N 2.6Å; C544-L547 PolarHBondContact O-N 3.15Å; R545-L547 VanDerWaalsContact C-N 3.34Å; L547-Y549 VanDerWaalsContact C-N 3.31Å; L547-Y549 HydrophobicContact CB-CD2 3.68Å; L547-Y549 HydrophobicContact CB-CE2 3.89Å; L547-Y549 HydrophobicContact CB-CG 4.48Å; L547-Y549 HydrophobicContact CD1-CD2 4.23Å; L547-Y549 HydrophobicContact CD1-CE2 4.1Å; L547-Y549 PolarHBondContact O-N 2.91Å |
| 548 | G | 79.5 | Confident | 85.4 | Confident | 55 Ų | 55 | 64 Ų | 64 | 57% | 0.567 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 16.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | C544 R545 L546 S550 | C544-G548 PolarHBondContact O-N 3.04Å; C544-G548 VanDerWaalsContact O-N 3.17Å; R545-G548 PolarHBondContact O-N 3.4Å; L546-G548 VanDerWaalsContact C-N 3.29Å; G548-S550 PolarHBondContact O-N 3.18Å; G548-S550 VanDerWaalsContact O-N 3.11Å |
| 549 | Y | 85.6 | Confident | 85.5 | Confident | 142 Ų | 142 | 68 Ų | 68 | 56% | 0.557 | 38% | 0.379 | S | S | * | . | trans | -84.3 | 75.2 | 176.7 | -65.9 | -49.7 | 0 | 0 | 0 | 111.3 | C544 L547 D551 V552 E553 | C544-Y549 PolarHBondContact O-N 2.99Å; L547-Y549 VanDerWaalsContact C-N 3.31Å; L547-Y549 HydrophobicContact CB-CD2 3.68Å; L547-Y549 HydrophobicContact CB-CE2 3.89Å; L547-Y549 HydrophobicContact CB-CG 4.48Å; L547-Y549 HydrophobicContact CD1-CD2 4.23Å; L547-Y549 HydrophobicContact CD1-CE2 4.1Å; L547-Y549 PolarHBondContact O-N 2.91Å; Y549-D551 VanDerWaalsContact C-N 3.32Å; Y549-D551 PolarHBondContact O-N 3.47Å; Y549-V552 PolarHBondContact O-N 2.87Å; Y549-E553 PolarHBondContact O-N 2.76Å | ||
| 550 | S | 79.7 | Confident | 85.6 | Confident | 44 Ų | 44 | 65.9 Ų | 65.9 | 31% | 0.308 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -56.9 | -42.1 | 179.2 | 50.8 | 0 | 0 | 0 | 0 | 113.2 | G548 V552 E553 E554 | G548-S550 PolarHBondContact O-N 3.18Å; G548-S550 VanDerWaalsContact O-N 3.11Å; S550-V552 VanDerWaalsContact C-N 3.33Å; S550-V552 PolarHBondContact O-N 2.78Å; S550-E553 WeakPolarHBondContact O-CB 3.29Å; S550-E553 PolarHBondContact O-N 2.92Å; S550-E554 WeakPolarHBondContact O-CG 3.48Å; S550-E554 PolarHBondContact O-N 2.7Å |
| 551 | D | 82.4 | Confident | 85.5 | Confident | 115 Ų | 115 | 64.4 Ų | 64.4 | 62% | 0.615 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -66.5 | -37.7 | -174.5 | -56.1 | -5 | 0 | 0 | 0 | 111.2 | Y549 E554 V555 | Y549-D551 VanDerWaalsContact C-N 3.32Å; Y549-D551 PolarHBondContact O-N 3.47Å; D551-E554 PolarHBondContact O-N 3.47Å; D551-V555 WeakPolarHBondContact O-CG2 3.24Å; D551-V555 PolarHBondContact O-N 3.34Å |
| 552 | V | 86.3 | Confident | 85.4 | Confident | 72 Ų | 72 | 67.6 Ų | 67.6 | 44% | 0.436 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.9 | -41.5 | 177.1 | -178.3 | 0 | 0 | 0 | 0 | 110 | Y549 S550 E554 V555 L556 | Y549-V552 PolarHBondContact O-N 2.87Å; S550-V552 VanDerWaalsContact C-N 3.33Å; S550-V552 PolarHBondContact O-N 2.78Å; V552-E554 VanDerWaalsContact C-N 3.32Å; V552-E554 PolarHBondContact O-N 3.31Å; V552-V555 PolarHBondContact O-N 3.12Å; V552-L556 HydrophobicContact CG1-CD1 4.06Å; V552-L556 HydrophobicContact CG1-CG 4.32Å; V552-L556 WeakPolarHBondContact O-CB 3.45Å; V552-L556 WeakPolarHBondContact O-CG 3.4Å; V552-L556 PolarHBondContact O-N 3.32Å |
| 553 | E | 86.3 | Confident | 85.2 | Confident | 7 Ų | 7 | 65.1 Ų | 65.1 | 3% | 0.033 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.8 | -39.5 | 174.5 | -176.9 | -177.4 | -169.4 | 0 | 0 | 111.8 | R470 C541 C544 R545 Y549 S550 L556 L557 | R470-E553 IonicContact NH2-OE2 3.45Å; C541-E553 HydrophobicContact CB-CG 4.32Å; C544-E553 HydrophobicContact CB-CB 4.47Å; R545-E553 IonicContact CZ-OE1 2.88Å; R545-E553 IonicContact NH1-OE1 3.58Å; R545-E553 PolarHBondContact NH1-OE1 3.26Å; R545-E553 VanDerWaalsContact NH1-OE1 3.15Å; Y549-E553 PolarHBondContact O-N 2.76Å; S550-E553 WeakPolarHBondContact O-CB 3.29Å; S550-E553 PolarHBondContact O-N 2.92Å; E553-L556 PolarHBondContact O-N 3.29Å; E553-L557 HydrophobicContact CG-CD1 4.25Å; E553-L557 WeakPolarHBondContact O-CB 3.4Å; E553-L557 WeakPolarHBondContact O-CG 3.47Å; E553-L557 PolarHBondContact O-N 2.86Å |
| 554 | E | 86.1 | Confident | 85 | Confident | 98 Ų | 98 | 62 Ų | 62 | 46% | 0.458 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.9 | -50.3 | 173.2 | -72.8 | -178.4 | -173 | 0 | 0 | 112.4 | R470 S550 D551 V552 L556 L557 V558 | R470-E554 VanDerWaalsContact CZ-CG 3.46Å; R470-E554 IonicContact NH2-OE1 3.15Å; S550-E554 WeakPolarHBondContact O-CG 3.48Å; S550-E554 PolarHBondContact O-N 2.7Å; D551-E554 PolarHBondContact O-N 3.47Å; V552-E554 VanDerWaalsContact C-N 3.32Å; V552-E554 PolarHBondContact O-N 3.31Å; E554-L556 VanDerWaalsContact C-N 3.31Å; E554-L556 PolarHBondContact O-N 2.89Å; E554-L557 PolarHBondContact O-N 2.91Å; E554-V558 VanDerWaalsContact O-CG2 3.27Å; E554-V558 WeakPolarHBondContact O-CG2 3.12Å; E554-V558 PolarHBondContact O-N 3.36Å |
| 555 | V | 88.1 | Confident | 85 | Confident | 89 Ų | 89 | 68 Ų | 68 | 54% | 0.539 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.5 | -43 | 178.5 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | D551 V552 V558 I559 | D551-V555 WeakPolarHBondContact O-CG2 3.24Å; D551-V555 PolarHBondContact O-N 3.34Å; V552-V555 PolarHBondContact O-N 3.12Å; V555-V558 PolarHBondContact O-N 2.69Å; V555-I559 HydrophobicContact CG1-CD1 4.1Å; V555-I559 WeakPolarHBondContact O-CG1 3.3Å; V555-I559 PolarHBondContact O-N 2.62Å; V555-I559 VanDerWaalsContact O-N 3.14Å |
| 556 | L | 88.7 | Confident | 84.9 | Confident | 25 Ų | 25 | 70.3 Ų | 70.3 | 13% | 0.131 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.7 | -47 | 176.4 | -71.2 | 172.7 | 0 | 0 | 0 | 111.3 | L537 C540 V552 E553 E554 V558 I559 V560 | L537-L556 HydrophobicContact CD2-CD2 3.71Å; C540-L556 HydrophobicContact CB-CD1 4.47Å; V552-L556 HydrophobicContact CG1-CD1 4.06Å; V552-L556 HydrophobicContact CG1-CG 4.32Å; V552-L556 WeakPolarHBondContact O-CB 3.45Å; V552-L556 WeakPolarHBondContact O-CG 3.4Å; V552-L556 PolarHBondContact O-N 3.32Å; E553-L556 PolarHBondContact O-N 3.29Å; E554-L556 VanDerWaalsContact C-N 3.31Å; E554-L556 PolarHBondContact O-N 2.89Å; L556-V558 VanDerWaalsContact C-N 3.34Å; L556-V558 PolarHBondContact O-N 3.22Å; L556-I559 PolarHBondContact O-N 3.13Å; L556-I559 VanDerWaalsContact O-N 3.17Å; L556-V560 WeakPolarHBondContact O-CB 3.22Å; L556-V560 VanDerWaalsContact O-CG2 3.26Å; L556-V560 WeakPolarHBondContact O-CG2 3.27Å; L556-V560 PolarHBondContact O-N 2.6Å |
| 557 | L | 86.8 | Confident | 84.6 | Confident | 36 Ų | 36 | 64.8 Ų | 64.8 | 19% | 0.188 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.7 | -34.8 | 178.6 | -75.1 | 177.7 | 0 | 0 | 0 | 113 | E553 E554 I559 V560 A561 | E553-L557 HydrophobicContact CG-CD1 4.25Å; E553-L557 WeakPolarHBondContact O-CB 3.4Å; E553-L557 WeakPolarHBondContact O-CG 3.47Å; E553-L557 PolarHBondContact O-N 2.86Å; E554-L557 PolarHBondContact O-N 2.91Å; L557-I559 VanDerWaalsContact C-N 3.27Å; L557-I559 PolarHBondContact O-N 2.84Å; L557-V560 PolarHBondContact O-N 2.89Å; L557-A561 WeakPolarHBondContact O-CB 3.48Å; L557-A561 PolarHBondContact O-N 2.63Å |
| 558 | V | 87.6 | Confident | 84.2 | Confident | 106 Ų | 106 | 61.9 Ų | 61.9 | 64% | 0.642 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.3 | -34.2 | 173.8 | 169.5 | 0 | 0 | 0 | 0 | 111.7 | E554 V555 L556 P562 | E554-V558 VanDerWaalsContact O-CG2 3.27Å; E554-V558 WeakPolarHBondContact O-CG2 3.12Å; E554-V558 PolarHBondContact O-N 3.36Å; V555-V558 PolarHBondContact O-N 2.69Å; L556-V558 VanDerWaalsContact C-N 3.34Å; L556-V558 PolarHBondContact O-N 3.22Å; V558-P562 WeakPolarHBondContact O-CD 3.47Å |
| 559 | I | 87.4 | Confident | 84.1 | Confident | 97 Ų | 97 | 61.9 Ų | 61.9 | 50% | 0.497 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -78.7 | -40.2 | 176.4 | -65.2 | 167.2 | 0 | 0 | 0 | 111.1 | L537 V555 L556 L557 P562 G563 | L537-I559 HydrophobicContact CD1-CG2 4.13Å; V555-I559 HydrophobicContact CG1-CD1 4.1Å; V555-I559 WeakPolarHBondContact O-CG1 3.3Å; V555-I559 PolarHBondContact O-N 2.62Å; V555-I559 VanDerWaalsContact O-N 3.14Å; L556-I559 PolarHBondContact O-N 3.13Å; L556-I559 VanDerWaalsContact O-N 3.17Å; L557-I559 VanDerWaalsContact C-N 3.27Å; L557-I559 PolarHBondContact O-N 2.84Å; I559-P562 WeakPolarHBondContact O-CD 3.37Å; I559-G563 PolarHBondContact O-N 2.86Å |
| 560 | V | 88.8 | Confident | 83.4 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.6 | -40 | -179.8 | 165.4 | 0 | 0 | 0 | 0 | 111.5 | M463 E534 L537 V538 L556 L557 G563 S564 | M463-V560 HydrophobicContact CE-CG1 4.25Å; E534-V560 HydrophobicContact CG-CG1 4.09Å; L537-V560 HydrophobicContact CB-CG2 3.58Å; L537-V560 HydrophobicContact CD1-CG2 4.3Å; V538-V560 HydrophobicContact CG2-CG1 3.6Å; V538-V560 HydrophobicContact CG2-CG2 4.19Å; L556-V560 WeakPolarHBondContact O-CB 3.22Å; L556-V560 VanDerWaalsContact O-CG2 3.26Å; L556-V560 WeakPolarHBondContact O-CG2 3.27Å; L556-V560 PolarHBondContact O-N 2.6Å; L557-V560 PolarHBondContact O-N 2.89Å; V560-G563 CarbonylContact O-C 3.5Å; V560-G563 WeakPolarHBondContact O-CA 3.46Å; V560-G563 PolarHBondContact O-N 3.36Å; V560-G563 VanDerWaalsContact O-N 3.12Å; V560-S564 PolarHBondContact O-N 2.79Å |
| 561 | A | 86 | Confident | 83.1 | Confident | 26 Ų | 26 | 58.1 Ų | 58.1 | 22% | 0.215 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.6 | -48.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | M463 I467 L557 G563 S564 W565 | M463-A561 HydrophobicContact CE-CB 4.39Å; I467-A561 HydrophobicContact CD1-CB 3.62Å; L557-A561 WeakPolarHBondContact O-CB 3.48Å; L557-A561 PolarHBondContact O-N 2.63Å; A561-G563 VanDerWaalsContact C-N 3.35Å; A561-S564 PolarHBondContact O-OG 3.3Å; A561-W565 VanDerWaalsContact O-CD1 3.29Å |
| 562 | P | 84.9 | Confident | 82.7 | Confident | 79 Ų | 79 | 53.8 Ų | 53.8 | 51% | 0.513 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.3 | -37.9 | 171 | -16.5 | 29.5 | 0 | 0 | 0 | 111.9 | V558 I559 S564 W565 L566 | V558-P562 WeakPolarHBondContact O-CD 3.47Å; I559-P562 WeakPolarHBondContact O-CD 3.37Å; P562-S564 VanDerWaalsContact C-N 3.33Å; P562-S564 PolarHBondContact O-N 2.84Å; P562-W565 PolarHBondContact O-N 2.96Å; P562-L566 WeakPolarHBondContact O-CG 3.3Å; P562-L566 PolarHBondContact O-N 3.33Å |
| 563 | G | 81.8 | Confident | 81.8 | Confident | 11 Ų | 11 | 54.5 Ų | 54.5 | 11% | 0.113 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -55.2 | -47.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I559 V560 A561 W565 L566 M567 | I559-G563 PolarHBondContact O-N 2.86Å; V560-G563 CarbonylContact O-C 3.5Å; V560-G563 WeakPolarHBondContact O-CA 3.46Å; V560-G563 PolarHBondContact O-N 3.36Å; V560-G563 VanDerWaalsContact O-N 3.12Å; A561-G563 VanDerWaalsContact C-N 3.35Å; G563-W565 VanDerWaalsContact C-N 3.35Å; G563-W565 PolarHBondContact O-N 3.45Å; G563-L566 WeakPolarHBondContact O-CB 3.17Å; G563-L566 PolarHBondContact O-N 3.01Å; G563-M567 VanDerWaalsContact O-CE 3.25Å; G563-M567 WeakPolarHBondContact O-CE 3.42Å; G563-M567 PolarHBondContact O-N 3.43Å |
| 564 | S | 81.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 179.8 | 79.9 | 0 | 0 | 0 | 0 | 112.6 | L460 M463 E534 V560 A561 P562 M567 | L460-S564 VanDerWaalsContact CD2-O 3.28Å; L460-S564 WeakPolarHBondContact CD2-O 3.38Å; L460-S564 WeakPolarHBondContact CD2-OG 3.25Å; M463-S564 WeakPolarHBondContact CE-OG 3.39Å; E534-S564 VanDerWaalsContact CD-CA 3.41Å; E534-S564 WeakPolarHBondContact OE1-CA 3.39Å; E534-S564 WeakPolarHBondContact OE1-CB 3.46Å; E534-S564 VanDerWaalsContact OE2-CA 3.31Å; E534-S564 WeakPolarHBondContact OE2-CA 3.39Å; V560-S564 PolarHBondContact O-N 2.79Å; A561-S564 PolarHBondContact O-OG 3.3Å; P562-S564 VanDerWaalsContact C-N 3.33Å; P562-S564 PolarHBondContact O-N 2.84Å; S564-M567 WeakPolarHBondContact O-CB 3.4Å; S564-M567 VanDerWaalsContact O-CG 3.29Å; S564-M567 WeakPolarHBondContact O-CG 3.48Å; S564-M567 PolarHBondContact O-N 2.82Å; S564-M567 VanDerWaalsContact O-N 3.12Å |
| 565 | W | 84.8 | Confident | 79.9 | Confident | 144 Ų | 144 | 54 Ų | 54 | 55% | 0.545 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -72.3 | -31.5 | -179.9 | -82.8 | 87.8 | 0 | 0 | 0 | 112 | A561 P562 G563 M567 L568 | A561-W565 VanDerWaalsContact O-CD1 3.29Å; P562-W565 PolarHBondContact O-N 2.96Å; G563-W565 VanDerWaalsContact C-N 3.35Å; G563-W565 PolarHBondContact O-N 3.45Å; W565-M567 PolarHBondContact O-N 3.03Å; W565-M567 VanDerWaalsContact O-N 3.14Å; W565-L568 HydrophobicContact CE3-CD1 3.54Å; W565-L568 HydrophobicContact CZ3-CD1 3.71Å; W565-L568 WeakPolarHBondContact O-CB 3.41Å; W565-L568 PolarHBondContact O-N 2.98Å |
| 566 | L | 81.6 | Confident | 78.9 | Confident | 86 Ų | 86 | 57.7 Ų | 57.7 | 45% | 0.45 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.7 | -19.3 | 170.8 | -68.5 | 171.9 | 0 | 0 | 0 | 112.2 | L530 P562 G563 L568 L569 | L530-L566 HydrophobicContact CD2-CB 4.35Å; L530-L566 HydrophobicContact CD2-CD1 4.28Å; P562-L566 WeakPolarHBondContact O-CG 3.3Å; P562-L566 PolarHBondContact O-N 3.33Å; G563-L566 WeakPolarHBondContact O-CB 3.17Å; G563-L566 PolarHBondContact O-N 3.01Å; L566-L568 PolarHBondContact O-N 2.95Å; L566-L569 HydrophobicContact CD2-CD1 4.06Å; L566-L569 VanDerWaalsContact O-CB 3.23Å; L566-L569 WeakPolarHBondContact O-CB 3.38Å; L566-L569 WeakPolarHBondContact O-CG 3.43Å; L566-L569 PolarHBondContact O-N 2.82Å |
| 567 | M | 75.4 | Confident | 78 | Confident | 6 Ų | 6 | 63 Ų | 63 | 3% | 0.03 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -19.6 | 174.2 | -54.4 | -57.6 | 151.1 | 0 | 0 | 113.9 | L530 F531 E534 G563 S564 W565 L569 F570 V571 | L530-M567 HydrophobicContact CB-CE 4Å; L530-M567 HydrophobicContact CD2-CE 3.88Å; L530-M567 HydrophobicContact CG-CE 3.62Å; F531-M567 VanDerWaalsContact CA-CE 3.44Å; F531-M567 HydrophobicContact CB-CE 4.04Å; F531-M567 HydrophobicContact CB-SD 3.5Å; F531-M567 VanDerWaalsContact CB-SD 3.5Å; F531-M567 HydrophobicContact CD2-CB 4.4Å; F531-M567 HydrophobicContact CD2-CE 4.38Å; F531-M567 HydrophobicContact CD2-CG 3.68Å; F531-M567 HydrophobicContact CD2-SD 3.49Å; F531-M567 WeakPolarHBondContact CD2-SD 3.16Å; F531-M567 HydrophobicContact CE2-CG 4.32Å; F531-M567 HydrophobicContact CG-SD 3.94Å; E534-M567 HydrophobicContact CB-CE 4.48Å; E534-M567 VanDerWaalsContact OE2-CG 3.31Å; E534-M567 WeakPolarHBondContact OE2-CG 3.24Å; G563-M567 VanDerWaalsContact O-CE 3.25Å; G563-M567 WeakPolarHBondContact O-CE 3.42Å; G563-M567 PolarHBondContact O-N 3.43Å; S564-M567 WeakPolarHBondContact O-CB 3.4Å; S564-M567 VanDerWaalsContact O-CG 3.29Å; S564-M567 WeakPolarHBondContact O-CG 3.48Å; S564-M567 PolarHBondContact O-N 2.82Å; S564-M567 VanDerWaalsContact O-N 3.12Å; W565-M567 PolarHBondContact O-N 3.03Å; W565-M567 VanDerWaalsContact O-N 3.14Å; M567-L569 PolarHBondContact O-N 3.47Å; M567-F570 VanDerWaalsContact O-CB 3.26Å; M567-F570 WeakPolarHBondContact O-CB 3.33Å; M567-F570 PolarHBondContact O-N 3.43Å; M567-V571 PolarHBondContact O-N 3.43Å |
| 568 | L | 78.5 | Confident | 77.2 | Confident | 61 Ų | 61 | 64 Ų | 64 | 32% | 0.319 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.6 | -25.8 | 170.1 | -67.9 | 178.8 | 0 | 0 | 0 | 111.8 | L456 L460 W565 L566 F570 V571 A572 | L456-L568 HydrophobicContact CD2-CD2 4.49Å; L460-L568 HydrophobicContact CD1-CD1 4.4Å; L460-L568 HydrophobicContact CD1-CD2 3.62Å; L460-L568 HydrophobicContact CD1-CG 3.85Å; W565-L568 HydrophobicContact CE3-CD1 3.54Å; W565-L568 HydrophobicContact CZ3-CD1 3.71Å; W565-L568 WeakPolarHBondContact O-CB 3.41Å; W565-L568 PolarHBondContact O-N 2.98Å; L566-L568 PolarHBondContact O-N 2.95Å; L568-F570 VanDerWaalsContact C-N 3.3Å; L568-F570 PolarHBondContact O-N 3.37Å; L568-V571 PolarHBondContact O-N 2.98Å; L568-A572 WeakPolarHBondContact O-CB 3.42Å; L568-A572 PolarHBondContact O-N 3.39Å |
| 569 | L | 77.1 | Confident | 76.3 | Confident | 55 Ų | 55 | 59.3 Ų | 59.3 | 29% | 0.288 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.8 | -33 | 174 | -61.2 | 174.6 | 0 | 0 | 0 | 111.9 | L566 M567 A572 R573 V582 | L566-L569 HydrophobicContact CD2-CD1 4.06Å; L566-L569 VanDerWaalsContact O-CB 3.23Å; L566-L569 WeakPolarHBondContact O-CB 3.38Å; L566-L569 WeakPolarHBondContact O-CG 3.43Å; L566-L569 PolarHBondContact O-N 2.82Å; M567-L569 PolarHBondContact O-N 3.47Å; L569-A572 PolarHBondContact O-N 3.4Å; L569-R573 PolarHBondContact O-N 3.32Å; L569-V582 HydrophobicContact CB-CG1 4.34Å; L569-V582 HydrophobicContact CD2-CG2 4.44Å |
| 570 | F | 72.5 | Confident | 75.6 | Confident | 68 Ų | 68 | 57.7 Ų | 57.7 | 30% | 0.298 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 173.8 | 177.5 | -92.6 | 0 | 0 | 0 | 111.3 | D527 Q528 M567 L568 R573 | D527-F570 HydrophobicContact CB-CD2 4.32Å; D527-F570 WeakPolarHBondContact OD2-CD2 3.22Å; D527-F570 WeakPolarHBondContact OD2-CE2 3.39Å; Q528-F570 HydrophobicContact CG-CE2 4.07Å; M567-F570 VanDerWaalsContact O-CB 3.26Å; M567-F570 WeakPolarHBondContact O-CB 3.33Å; M567-F570 PolarHBondContact O-N 3.43Å; L568-F570 VanDerWaalsContact C-N 3.3Å; L568-F570 PolarHBondContact O-N 3.37Å; F570-R573 VanDerWaalsContact CD2-NH2 3.33Å; F570-R573 VanDerWaalsContact O-CB 3.27Å; F570-R573 WeakPolarHBondContact O-CB 3.33Å; F570-R573 PolarHBondContact O-N 3.44Å |
| 571 | V | 73.3 | Confident | 75 | Confident | 39 Ų | 39 | 62.4 Ų | 62.4 | 24% | 0.236 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.9 | -42.5 | 176 | 167.9 | 0 | 0 | 0 | 0 | 111.2 | T453 L456 M567 L568 R573 A574 | T453-V571 HydrophobicContact CG2-CB 4.25Å; T453-V571 HydrophobicContact CG2-CG1 3.28Å; T453-V571 HydrophobicContact CG2-CG2 3.95Å; L456-V571 HydrophobicContact CD2-CG2 3.41Å; L456-V571 VanDerWaalsContact CD2-CG2 3.41Å; M567-V571 PolarHBondContact O-N 3.43Å; L568-V571 PolarHBondContact O-N 2.98Å; V571-R573 PolarHBondContact O-N 2.92Å; V571-A574 WeakPolarHBondContact O-CB 3.32Å; V571-A574 PolarHBondContact O-N 2.91Å |
| 572 | A | 73.6 | Confident | 74.6 | Confident | 24 Ų | 24 | 61.5 Ų | 61.5 | 20% | 0.198 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.2 | -35.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L568 L569 A574 S575 T578 G579 V582 | L568-A572 WeakPolarHBondContact O-CB 3.42Å; L568-A572 PolarHBondContact O-N 3.39Å; L569-A572 PolarHBondContact O-N 3.4Å; A572-A574 VanDerWaalsContact C-N 3.3Å; A572-A574 PolarHBondContact O-N 3.48Å; A572-S575 WeakPolarHBondContact O-CB 3.37Å; A572-S575 PolarHBondContact O-N 3.17Å; A572-S575 VanDerWaalsContact O-N 3.09Å; A572-S575 PolarHBondContact O-OG 3.03Å; A572-T578 WeakPolarHBondContact CA-OG1 3.35Å; A572-T578 WeakPolarHBondContact CB-OG1 3.29Å; A572-T578 PolarHBondContact O-OG1 3.18Å; A572-G579 WeakPolarHBondContact O-CA 2.98Å; A572-G579 PolarHBondContact O-N 2.82Å; A572-V582 HydrophobicContact CB-CG2 3.67Å |
| 573 | R | 67.1 | Low | 74 | Confident | 87 Ų | 87 | 62 Ų | 62 | 33% | 0.328 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -56.1 | -38.9 | 173.7 | -166.3 | 179.8 | 62.7 | -167 | -12.8 | 113.7 | D527 L569 F570 V571 S575 G579 V582 | D527-R573 IonicContact OD1-CZ 2.82Å; D527-R573 IonicContact OD1-NH1 3.51Å; D527-R573 PolarHBondContact OD1-NH1 3.07Å; D527-R573 IonicContact OD2-CZ 3.24Å; D527-R573 IonicContact OD2-NH1 2.94Å; D527-R573 PolarHBondContact OD2-NH1 3.36Å; D527-R573 IonicContact OD2-NH2 3.38Å; D527-R573 PolarHBondContact OD2-NH2 3.48Å; L569-R573 PolarHBondContact O-N 3.32Å; F570-R573 VanDerWaalsContact CD2-NH2 3.33Å; F570-R573 VanDerWaalsContact O-CB 3.27Å; F570-R573 WeakPolarHBondContact O-CB 3.33Å; F570-R573 PolarHBondContact O-N 3.44Å; V571-R573 PolarHBondContact O-N 2.92Å; R573-S575 PolarHBondContact O-N 2.71Å; R573-G579 WeakPolarHBondContact O-CA 3.28Å; R573-V582 HydrophobicContact CB-CG1 4.22Å |
| 574 | A | 64.5 | Low | 73.8 | Confident | 55 Ų | 55 | 62 Ų | 62 | 46% | 0.455 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -13.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L449 V571 A572 | L449-A574 HydrophobicContact CD1-CB 3.78Å; L449-A574 HydrophobicContact CD2-CB 3.95Å; V571-A574 WeakPolarHBondContact O-CB 3.32Å; V571-A574 PolarHBondContact O-N 2.91Å; A572-A574 VanDerWaalsContact C-N 3.3Å; A572-A574 PolarHBondContact O-N 3.48Å |
| 575 | S | 68.2 | Low | 73.8 | Confident | 40 Ų | 40 | 65.4 Ų | 65.4 | 28% | 0.28 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -84.8 | 140.2 | 178.1 | 77.8 | 0 | 0 | 0 | 0 | 111.8 | A572 R573 L577 T578 G579 | A572-S575 WeakPolarHBondContact O-CB 3.37Å; A572-S575 PolarHBondContact O-N 3.17Å; A572-S575 VanDerWaalsContact O-N 3.09Å; A572-S575 PolarHBondContact O-OG 3.03Å; R573-S575 PolarHBondContact O-N 2.71Å; S575-L577 PolarHBondContact O-N 3.31Å; S575-T578 WeakPolarHBondContact OG-CA 3.27Å; S575-T578 WeakPolarHBondContact OG-CB 3.46Å; S575-T578 PolarHBondContact OG-N 3.48Å; S575-T578 PolarHBondContact OG-OG1 3.34Å; S575-G579 VanDerWaalsContact O-CA 3.31Å; S575-G579 WeakPolarHBondContact O-CA 3.08Å; S575-G579 PolarHBondContact O-N 2.9Å; S575-G579 PolarHBondContact OG-N 3Å |
| 576 | I | 67.2 | Low | 73.5 | Confident | 166 Ų | 166 | 60.3 Ų | 60.3 | 85% | 0.851 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -34.6 | 177.9 | -63.3 | 166.5 | 0 | 0 | 0 | 111.2 | P580 | I576-P580 WeakPolarHBondContact O-CD 3.29Š|
| 577 | L | 68.8 | Low | 73.1 | Confident | 135 Ų | 135 | 59.1 Ų | 59.1 | 71% | 0.707 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -49.9 | -177.4 | -176.2 | 65.7 | 0 | 0 | 0 | 112.5 | S575 F581 | S575-L577 PolarHBondContact O-N 3.31Å; L577-F581 WeakPolarHBondContact O-CD2 3.44Å; L577-F581 VanDerWaalsContact O-CE2 3.25Å; L577-F581 WeakPolarHBondContact O-CE2 3.45Å |
| 578 | T | 70.6 | Confident | 73.4 | Confident | 59 Ų | 59 | 60.5 Ų | 60.5 | 36% | 0.362 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -17.5 | -173.3 | 72.3 | 0 | 0 | 0 | 0 | 113.2 | A572 S575 F581 V582 | A572-T578 WeakPolarHBondContact CA-OG1 3.35Å; A572-T578 WeakPolarHBondContact CB-OG1 3.29Å; A572-T578 PolarHBondContact O-OG1 3.18Å; S575-T578 WeakPolarHBondContact OG-CA 3.27Å; S575-T578 WeakPolarHBondContact OG-CB 3.46Å; S575-T578 PolarHBondContact OG-N 3.48Å; S575-T578 PolarHBondContact OG-OG1 3.34Å; T578-F581 WeakPolarHBondContact O-CB 3.1Å; T578-F581 PolarHBondContact O-N 3.02Å; T578-F581 VanDerWaalsContact O-N 3.14Å; T578-V582 PolarHBondContact O-N 3.03Å; T578-V582 VanDerWaalsContact O-N 3.11Å |
| 579 | G | 69 | Low | 73.4 | Confident | 6 Ų | 6 | 61 Ų | 61 | 6% | 0.062 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.9 | -43.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | A572 R573 S575 F581 V582 H583 | A572-G579 WeakPolarHBondContact O-CA 2.98Å; A572-G579 PolarHBondContact O-N 2.82Å; R573-G579 WeakPolarHBondContact O-CA 3.28Å; S575-G579 VanDerWaalsContact O-CA 3.31Å; S575-G579 WeakPolarHBondContact O-CA 3.08Å; S575-G579 PolarHBondContact O-N 2.9Å; S575-G579 PolarHBondContact OG-N 3Å; G579-F581 VanDerWaalsContact C-N 3.28Å; G579-F581 PolarHBondContact O-N 2.86Å; G579-V582 PolarHBondContact O-N 2.92Å; G579-H583 PolarHBondContact O-N 2.83Å |
| 580 | P | 71.6 | Confident | 73.3 | Confident | 64 Ų | 64 | 62.7 Ų | 62.7 | 42% | 0.416 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.5 | -38.9 | 172.7 | -25.9 | 35.3 | 0 | 0 | 0 | 112.7 | I576 V582 H583 I584 | I576-P580 WeakPolarHBondContact O-CD 3.29Å; P580-V582 PolarHBondContact O-N 3.23Å; P580-H583 PolarHBondContact O-N 3.36Å; P580-I584 WeakPolarHBondContact O-CD1 3.4Å; P580-I584 WeakPolarHBondContact O-CG1 3.01Å; P580-I584 PolarHBondContact O-N 3.27Å |
| 581 | F | 76.7 | Confident | 73.5 | Confident | 100 Ų | 100 | 60.8 Ų | 60.8 | 44% | 0.439 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 177.8 | -63.9 | -77.2 | 0 | 0 | 0 | 112 | L577 T578 G579 I584 I585 | L577-F581 WeakPolarHBondContact O-CD2 3.44Å; L577-F581 VanDerWaalsContact O-CE2 3.25Å; L577-F581 WeakPolarHBondContact O-CE2 3.45Å; T578-F581 WeakPolarHBondContact O-CB 3.1Å; T578-F581 PolarHBondContact O-N 3.02Å; T578-F581 VanDerWaalsContact O-N 3.14Å; G579-F581 VanDerWaalsContact C-N 3.28Å; G579-F581 PolarHBondContact O-N 2.86Å; F581-I584 PolarHBondContact O-N 2.67Å; F581-I585 VanDerWaalsContact O-CG1 3.25Å; F581-I585 WeakPolarHBondContact O-CG1 3.3Å; F581-I585 PolarHBondContact O-N 2.83Å |
| 582 | V | 77.4 | Confident | 73.8 | Confident | 7 Ų | 7 | 59.6 Ų | 59.6 | 4% | 0.042 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.8 | -45 | 174.8 | 173.8 | 0 | 0 | 0 | 0 | 111 | L569 A572 R573 T578 G579 P580 I584 I585 Y586 | L569-V582 HydrophobicContact CB-CG1 4.34Å; L569-V582 HydrophobicContact CD2-CG2 4.44Å; A572-V582 HydrophobicContact CB-CG2 3.67Å; R573-V582 HydrophobicContact CB-CG1 4.22Å; T578-V582 PolarHBondContact O-N 3.03Å; T578-V582 VanDerWaalsContact O-N 3.11Å; G579-V582 PolarHBondContact O-N 2.92Å; P580-V582 PolarHBondContact O-N 3.23Å; V582-I584 VanDerWaalsContact C-N 3.32Å; V582-I584 PolarHBondContact O-N 3.04Å; V582-I585 PolarHBondContact O-N 2.87Å; V582-Y586 HydrophobicContact CG1-CD2 3.69Å; V582-Y586 HydrophobicContact CG1-CE2 3.23Å; V582-Y586 WeakPolarHBondContact O-CD2 3.49Å; V582-Y586 PolarHBondContact O-N 3.11Å |
| 583 | H | 73.6 | Confident | 74.2 | Confident | 90 Ų | 90 | 63.4 Ų | 63.4 | 42% | 0.417 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 176.3 | -173.6 | 63.2 | 0 | 0 | 0 | 112.3 | G579 P580 Y586 N587 | G579-H583 PolarHBondContact O-N 2.83Å; P580-H583 PolarHBondContact O-N 3.36Å; H583-Y586 PolarHBondContact O-N 3.5Å; H583-N587 PolarHBondContact CE1-ND2 3.04Å; H583-N587 PolarHBondContact NE2-ND2 2.87Å; H583-N587 PolarHBondContact O-N 2.84Å |
| 584 | I | 77.5 | Confident | 74.9 | Confident | 9 Ų | 9 | 65.4 Ų | 65.4 | 5% | 0.046 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 174.9 | -67.9 | 160 | 0 | 0 | 0 | 110.9 | P580 F581 V582 Y586 N587 M588 Y699 I702 I703 | P580-I584 WeakPolarHBondContact O-CD1 3.4Å; P580-I584 WeakPolarHBondContact O-CG1 3.01Å; P580-I584 PolarHBondContact O-N 3.27Å; F581-I584 PolarHBondContact O-N 2.67Å; V582-I584 VanDerWaalsContact C-N 3.32Å; V582-I584 PolarHBondContact O-N 3.04Å; I584-Y586 VanDerWaalsContact C-N 3.33Å; I584-Y586 PolarHBondContact O-N 3.14Å; I584-N587 PolarHBondContact O-N 2.83Å; I584-M588 HydrophobicContact CG2-CE 4.19Å; I584-M588 WeakPolarHBondContact O-CB 3.21Å; I584-M588 PolarHBondContact O-N 2.94Å; I584-Y699 HydrophobicContact CD1-CD2 4.31Å; I584-Y699 HydrophobicContact CD1-CE2 4.16Å; I584-Y699 HydrophobicContact CG2-CD2 3.94Å; I584-I702 HydrophobicContact CG1-CB 4.31Å; I584-I702 HydrophobicContact CG1-CG2 3.66Å; I584-I703 HydrophobicContact CD1-CD1 3.97Å; I584-I703 HydrophobicContact CD1-CG1 3.53Å |
| 585 | I | 81.8 | Confident | 75.7 | Confident | 73 Ų | 73 | 71.1 Ų | 71.1 | 37% | 0.374 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.2 | -45.8 | 177.5 | -70 | 163.6 | 0 | 0 | 0 | 110.4 | F581 V582 M588 I589 | F581-I585 VanDerWaalsContact O-CG1 3.25Å; F581-I585 WeakPolarHBondContact O-CG1 3.3Å; F581-I585 PolarHBondContact O-N 2.83Å; V582-I585 PolarHBondContact O-N 2.87Å; I585-M588 PolarHBondContact O-N 3.29Å; I585-I589 HydrophobicContact CG2-CD1 3.58Å; I585-I589 HydrophobicContact CG2-CG1 4.33Å; I585-I589 WeakPolarHBondContact O-CB 3.43Å; I585-I589 WeakPolarHBondContact O-CG1 3.21Å; I585-I589 PolarHBondContact O-N 3.08Å |
| 586 | Y | 77.2 | Confident | 76.4 | Confident | 36 Ų | 36 | 70.9 Ų | 70.9 | 14% | 0.141 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.3 | -47.3 | 179.2 | -74.2 | -56.5 | 0 | 0 | 0 | 113.1 | F526 V582 H583 I584 M588 I589 T590 | F526-Y586 HydrophobicContact CD1-CD1 4.24Å; F526-Y586 AromaticContact CD1-CE1 3.99Å; F526-Y586 HydrophobicContact CD1-CE1 3.99Å; V582-Y586 HydrophobicContact CG1-CD2 3.69Å; V582-Y586 HydrophobicContact CG1-CE2 3.23Å; V582-Y586 WeakPolarHBondContact O-CD2 3.49Å; V582-Y586 PolarHBondContact O-N 3.11Å; H583-Y586 PolarHBondContact O-N 3.5Å; I584-Y586 VanDerWaalsContact C-N 3.33Å; I584-Y586 PolarHBondContact O-N 3.14Å; Y586-M588 VanDerWaalsContact C-N 3.32Å; Y586-M588 PolarHBondContact O-N 3.26Å; Y586-I589 PolarHBondContact O-N 2.98Å; Y586-T590 WeakPolarHBondContact O-CB 3.38Å; Y586-T590 WeakPolarHBondContact O-CG2 3.43Å; Y586-T590 PolarHBondContact O-N 2.8Å; Y586-T590 PolarHBondContact O-OG1 3.25Å |
| 587 | N | 73.9 | Confident | 77.2 | Confident | 62 Ų | 62 | 64.6 Ų | 64.6 | 33% | 0.332 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.3 | -36.7 | 179 | -70 | -8.9 | 0 | 0 | 0 | 111.6 | H583 I584 T590 G591 I702 | H583-N587 PolarHBondContact CE1-ND2 3.04Å; H583-N587 PolarHBondContact NE2-ND2 2.87Å; H583-N587 PolarHBondContact O-N 2.84Å; I584-N587 PolarHBondContact O-N 2.83Å; N587-T590 WeakPolarHBondContact CA-OG1 3.4Å; N587-T590 PolarHBondContact O-OG1 2.84Å; N587-G591 PolarHBondContact O-N 3.36Å; N587-I702 HydrophobicContact CB-CD1 3.79Å |
| 588 | M | 80.6 | Confident | 78 | Confident | 35 Ų | 35 | 64.1 Ų | 64.1 | 17% | 0.172 | 34% | 0.335 | C | S | . | . | I | π-helix | trans | -66.2 | -43 | 175.9 | -175.5 | -179.5 | -70 | 0 | 0 | 111.9 | I584 I585 Y586 D592 M593 M695 | I584-M588 HydrophobicContact CG2-CE 4.19Å; I584-M588 WeakPolarHBondContact O-CB 3.21Å; I584-M588 PolarHBondContact O-N 2.94Å; I585-M588 PolarHBondContact O-N 3.29Å; Y586-M588 VanDerWaalsContact C-N 3.32Å; Y586-M588 PolarHBondContact O-N 3.26Å; M588-D592 PolarHBondContact O-N 2.95Å; M588-M593 PolarHBondContact O-N 3.44Å; M588-M695 HydrophobicContact CE-CB 3.97Å; M588-M695 HydrophobicContact CE-CG 4.24Å; M588-M695 HydrophobicContact CG-CG 4.14Å; M588-M695 HydrophobicContact SD-CB 4.07Å; M588-M695 HydrophobicContact SD-CG 3.71Å; M588-M695 HydrophobicContact SD-SD 3.72Å |
| 589 | I | 79.3 | Confident | 78.7 | Confident | 72 Ų | 72 | 64.6 Ų | 64.6 | 37% | 0.369 | 34% | 0.335 | S | S | . | . | I | π-helix | trans | -64.5 | -50.7 | 176.6 | -69.9 | 168.6 | 0 | 0 | 0 | 110.7 | I585 Y586 G591 M593 M594 | I585-I589 HydrophobicContact CG2-CD1 3.58Å; I585-I589 HydrophobicContact CG2-CG1 4.33Å; I585-I589 WeakPolarHBondContact O-CB 3.43Å; I585-I589 WeakPolarHBondContact O-CG1 3.21Å; I585-I589 PolarHBondContact O-N 3.08Å; Y586-I589 PolarHBondContact O-N 2.98Å; I589-G591 PolarHBondContact O-N 2.83Å; I589-M593 HydrophobicContact CG1-CE 4.48Å; I589-M593 HydrophobicContact CG1-SD 4.22Å; I589-M593 HydrophobicContact CG2-CE 4.38Å; I589-M594 WeakPolarHBondContact O-CG 3.32Å; I589-M594 PolarHBondContact O-N 3.45Å |
| 590 | T | 75.4 | Confident | 79.4 | Confident | 90 Ų | 90 | 64.6 Ų | 64.6 | 55% | 0.552 | 33% | 0.334 | S | S | * | . | I | π-helix | trans | -67.9 | -35.8 | -174.4 | 49.7 | 0 | 0 | 0 | 0 | 113.5 | Y586 N587 M594 | Y586-T590 WeakPolarHBondContact O-CB 3.38Å; Y586-T590 WeakPolarHBondContact O-CG2 3.43Å; Y586-T590 PolarHBondContact O-N 2.8Å; Y586-T590 PolarHBondContact O-OG1 3.25Å; N587-T590 WeakPolarHBondContact CA-OG1 3.4Å; N587-T590 PolarHBondContact O-OG1 2.84Å; T590-M594 WeakPolarHBondContact O-CG 3.31Å |
| 591 | G | 76.2 | Confident | 80.2 | Confident | 27 Ų | 27 | 63.4 Ų | 63.4 | 28% | 0.278 | 33% | 0.33 | S | S | . | . | I | π-helix | trans | -94.4 | -64 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | N587 I589 R595 | N587-G591 PolarHBondContact O-N 3.36Å; I589-G591 PolarHBondContact O-N 2.83Å; G591-R595 WeakPolarHBondContact O-CG 3.44Å |
| 592 | D | 79.8 | Confident | 80.7 | Confident | 15 Ų | 15 | 62.9 Ų | 62.9 | 8% | 0.08 | 34% | 0.335 | C | S | . | . | I | π-helix | trans | -84.1 | -44.1 | -166.9 | -62.9 | -27.6 | 0 | 0 | 0 | 112.9 | M588 M594 R595 F596 T698 | M588-D592 PolarHBondContact O-N 2.95Å; D592-M594 VanDerWaalsContact C-N 3.25Å; D592-M594 PolarHBondContact O-N 2.88Å; D592-R595 PolarHBondContact O-N 3.17Å; D592-R595 VanDerWaalsContact O-N 3.16Å; D592-F596 PolarHBondContact O-N 3.44Å; D592-T698 WeakPolarHBondContact OD2-CB 3.18Å; D592-T698 WeakPolarHBondContact OD2-CG2 3.26Å; D592-T698 PolarHBondContact OD2-OG1 3.35Å |
| 593 | M | 81.2 | Confident | 81.1 | Confident | 103 Ų | 103 | 65.5 Ų | 65.5 | 51% | 0.507 | 35% | 0.346 | S | S | . | . | I | π-helix | trans | -66.6 | -32.2 | -178.3 | -154.9 | 173.4 | 98.3 | 0 | 0 | 110.9 | M588 I589 G597 | M588-M593 PolarHBondContact O-N 3.44Å; I589-M593 HydrophobicContact CG1-CE 4.48Å; I589-M593 HydrophobicContact CG1-SD 4.22Å; I589-M593 HydrophobicContact CG2-CE 4.38Å; M593-G597 WeakPolarHBondContact O-CA 3.41Å; M593-G597 PolarHBondContact O-N 3.2Å |
| 594 | M | 81.4 | Confident | 81.7 | Confident | 129 Ų | 129 | 62 Ų | 62 | 64% | 0.635 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.1 | -42.1 | 172 | -73 | -60 | -68.4 | 0 | 0 | 112.5 | I589 T590 D592 G597 L598 | I589-M594 WeakPolarHBondContact O-CG 3.32Å; I589-M594 PolarHBondContact O-N 3.45Å; T590-M594 WeakPolarHBondContact O-CG 3.31Å; D592-M594 VanDerWaalsContact C-N 3.25Å; D592-M594 PolarHBondContact O-N 2.88Å; M594-G597 PolarHBondContact O-N 2.6Å; M594-L598 WeakPolarHBondContact O-CB 3.37Å; M594-L598 PolarHBondContact O-N 3.21Å |
| 595 | R | 81.5 | Confident | 82.2 | Confident | 175 Ų | 175 | 65.4 Ų | 65.4 | 66% | 0.66 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.5 | -46.3 | 176.4 | -70.6 | 170.4 | -178.2 | 167.2 | 1 | 111.7 | G591 D592 L599 | G591-R595 WeakPolarHBondContact O-CG 3.44Å; D592-R595 PolarHBondContact O-N 3.17Å; D592-R595 VanDerWaalsContact O-N 3.16Å; R595-L599 PolarHBondContact O-N 2.8Å; R595-L599 VanDerWaalsContact O-N 3.14Å |
| 596 | F | 83.9 | Confident | 82.4 | Confident | 36 Ų | 36 | 64.6 Ų | 64.6 | 16% | 0.158 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 174.6 | 168.3 | -95.4 | 0 | 0 | 0 | 111.9 | D592 L598 L599 S600 L687 L691 M694 | D592-F596 PolarHBondContact O-N 3.44Å; F596-L598 VanDerWaalsContact C-N 3.34Å; F596-L598 PolarHBondContact O-N 2.86Å; F596-L599 PolarHBondContact O-N 3.01Å; F596-S600 WeakPolarHBondContact CE1-OG 3.25Å; F596-S600 WeakPolarHBondContact CE2-OG 3.33Å; F596-S600 WeakPolarHBondContact CZ-OG 3.48Å; F596-S600 WeakPolarHBondContact O-CB 3.12Å; F596-S600 PolarHBondContact O-N 3.5Å; F596-S600 PolarHBondContact O-OG 3.34Å; F596-L687 HydrophobicContact CD2-CB 4.48Å; F596-L687 HydrophobicContact CE2-CB 3.78Å; F596-L687 WeakPolarHBondContact CE2-O 3.28Å; F596-L691 HydrophobicContact CB-CD1 3.85Å; F596-L691 HydrophobicContact CD1-CD1 4.1Å; F596-L691 HydrophobicContact CD1-CD2 4.05Å; F596-L691 HydrophobicContact CD2-CB 3.74Å; F596-L691 HydrophobicContact CD2-CD1 4.03Å; F596-L691 HydrophobicContact CD2-CD2 4.24Å; F596-L691 HydrophobicContact CD2-CG 4.2Å; F596-L691 HydrophobicContact CE1-CD2 3.86Å; F596-L691 HydrophobicContact CE2-CB 3.79Å; F596-L691 HydrophobicContact CE2-CD2 4.01Å; F596-L691 HydrophobicContact CE2-CG 4.34Å; F596-L691 HydrophobicContact CG-CB 4.33Å; F596-L691 HydrophobicContact CG-CD1 3.73Å; F596-L691 HydrophobicContact CG-CD2 4.25Å; F596-L691 HydrophobicContact CG-CG 4.3Å; F596-L691 HydrophobicContact CZ-CB 4.46Å; F596-L691 HydrophobicContact CZ-CD2 3.84Å; F596-M694 HydrophobicContact CB-CE 4.29Å |
| 597 | G | 83.7 | Confident | 82.8 | Confident | 33 Ų | 33 | 64.2 Ų | 64.2 | 34% | 0.34 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | M593 M594 A601 | M593-G597 WeakPolarHBondContact O-CA 3.41Å; M593-G597 PolarHBondContact O-N 3.2Å; M594-G597 PolarHBondContact O-N 2.6Å; G597-A601 WeakPolarHBondContact O-CB 3.49Å; G597-A601 PolarHBondContact O-N 3.47Å |
| 598 | L | 86.4 | Confident | 83.3 | Confident | 126 Ų | 126 | 61.2 Ų | 61.2 | 66% | 0.66 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63 | -48.9 | 174.4 | -174.3 | 69.9 | 0 | 0 | 0 | 111.6 | M594 F596 A601 V602 | M594-L598 WeakPolarHBondContact O-CB 3.37Å; M594-L598 PolarHBondContact O-N 3.21Å; F596-L598 VanDerWaalsContact C-N 3.34Å; F596-L598 PolarHBondContact O-N 2.86Å; L598-A601 PolarHBondContact O-N 2.74Å; L598-V602 WeakPolarHBondContact O-CG2 3.49Å; L598-V602 PolarHBondContact O-N 3.38Å |
| 599 | L | 84.7 | Confident | 83.3 | Confident | 68 Ų | 68 | 64.3 Ų | 64.3 | 36% | 0.356 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 179.6 | -173.4 | 62.4 | 0 | 0 | 0 | 111.6 | R595 F596 A601 V602 F603 L687 | R595-L599 PolarHBondContact O-N 2.8Å; R595-L599 VanDerWaalsContact O-N 3.14Å; F596-L599 PolarHBondContact O-N 3.01Å; L599-A601 VanDerWaalsContact C-N 3.35Å; L599-V602 PolarHBondContact O-N 3.3Å; L599-F603 HydrophobicContact CD1-CD2 4.17Å; L599-F603 HydrophobicContact CD1-CE2 3.64Å; L599-F603 HydrophobicContact CD2-CE2 4.47Å; L599-F603 HydrophobicContact CG-CD2 4.08Å; L599-F603 HydrophobicContact CG-CE2 3.81Å; L599-F603 WeakPolarHBondContact O-CD2 3.35Å; L599-F603 PolarHBondContact O-N 3.03Å; L599-F603 VanDerWaalsContact O-N 3.11Å; L599-L687 HydrophobicContact CD2-CD2 3.5Å; L599-L687 HydrophobicContact CG-CD2 3.99Å |
| 600 | S | 84.5 | Confident | 83 | Confident | 6 Ų | 6 | 62.3 Ų | 62.3 | 4% | 0.042 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.7 | -38.5 | 176.4 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | F596 F603 L604 | F596-S600 WeakPolarHBondContact CE1-OG 3.25Å; F596-S600 WeakPolarHBondContact CE2-OG 3.33Å; F596-S600 WeakPolarHBondContact CZ-OG 3.48Å; F596-S600 WeakPolarHBondContact O-CB 3.12Å; F596-S600 PolarHBondContact O-N 3.5Å; F596-S600 PolarHBondContact O-OG 3.34Å; S600-F603 PolarHBondContact O-N 3.28Å; S600-L604 WeakPolarHBondContact O-CB 3.32Å; S600-L604 WeakPolarHBondContact O-CG 3.49Å; S600-L604 PolarHBondContact O-N 3.3Å |
| 601 | A | 86.5 | Confident | 82.8 | Confident | 40 Ų | 40 | 58.1 Ų | 58.1 | 33% | 0.331 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G597 L598 L599 F603 L604 L605 | G597-A601 WeakPolarHBondContact O-CB 3.49Å; G597-A601 PolarHBondContact O-N 3.47Å; L598-A601 PolarHBondContact O-N 2.74Å; L599-A601 VanDerWaalsContact C-N 3.35Å; A601-F603 PolarHBondContact O-N 2.91Å; A601-L604 PolarHBondContact O-N 3.14Å; A601-L605 VanDerWaalsContact O-CB 3.26Å; A601-L605 WeakPolarHBondContact O-CB 3.32Å; A601-L605 WeakPolarHBondContact O-CG 3.47Å; A601-L605 PolarHBondContact O-N 3.3Å |
| 602 | V | 88 | Confident | 82.6 | Confident | 88 Ų | 88 | 57.3 Ų | 57.3 | 53% | 0.533 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.8 | -48.8 | 175 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | L598 L599 A606 | L598-V602 WeakPolarHBondContact O-CG2 3.49Å; L598-V602 PolarHBondContact O-N 3.38Å; L599-V602 PolarHBondContact O-N 3.3Å; V602-A606 VanDerWaalsContact O-CB 3.23Å; V602-A606 WeakPolarHBondContact O-CB 3.4Å; V602-A606 PolarHBondContact O-N 3.18Å |
| 603 | F | 86.1 | Confident | 82.2 | Confident | 62 Ų | 62 | 60.7 Ų | 60.7 | 27% | 0.272 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.4 | -45.7 | 177.8 | -74.6 | -66.7 | 0 | 0 | 0 | 112.4 | L599 S600 A601 L605 A606 F607 I682 L687 | L599-F603 HydrophobicContact CD1-CD2 4.17Å; L599-F603 HydrophobicContact CD1-CE2 3.64Å; L599-F603 HydrophobicContact CD2-CE2 4.47Å; L599-F603 HydrophobicContact CG-CD2 4.08Å; L599-F603 HydrophobicContact CG-CE2 3.81Å; L599-F603 WeakPolarHBondContact O-CD2 3.35Å; L599-F603 PolarHBondContact O-N 3.03Å; L599-F603 VanDerWaalsContact O-N 3.11Å; S600-F603 PolarHBondContact O-N 3.28Å; A601-F603 PolarHBondContact O-N 2.91Å; F603-L605 PolarHBondContact O-N 3.19Å; F603-A606 PolarHBondContact O-N 3.09Å; F603-F607 HydrophobicContact CB-CD2 4.39Å; F603-F607 HydrophobicContact CB-CE2 4.5Å; F603-F607 HydrophobicContact CD1-CE2 4.1Å; F603-F607 WeakPolarHBondContact O-CD2 3.42Å; F603-F607 PolarHBondContact O-N 3.22Å; F603-I682 HydrophobicContact CD1-CG2 3.93Å; F603-I682 HydrophobicContact CE1-CG2 3.81Å; F603-I682 HydrophobicContact CE2-CG2 4.43Å; F603-I682 HydrophobicContact CG-CG2 4.31Å; F603-I682 HydrophobicContact CZ-CG2 4.08Å; F603-L687 HydrophobicContact CD2-CD1 3.69Å; F603-L687 HydrophobicContact CD2-CD2 4.48Å; F603-L687 HydrophobicContact CE2-CD1 4.29Å; F603-L687 HydrophobicContact CE2-CD2 4.32Å; F603-L687 HydrophobicContact CG-CD1 4.41Å |
| 604 | L | 86.7 | Confident | 81.5 | Confident | 16 Ų | 16 | 57.3 Ų | 57.3 | 8% | 0.084 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.6 | -47.7 | 178.8 | -81 | 168.9 | 0 | 0 | 0 | 111.6 | S600 A601 A608 L650 F651 Y679 M683 | S600-L604 WeakPolarHBondContact O-CB 3.32Å; S600-L604 WeakPolarHBondContact O-CG 3.49Å; S600-L604 PolarHBondContact O-N 3.3Å; A601-L604 PolarHBondContact O-N 3.14Å; L604-A608 WeakPolarHBondContact O-CB 3.4Å; L604-A608 PolarHBondContact O-N 2.91Å; L604-L650 HydrophobicContact CD2-CB 4.02Å; L604-F651 HydrophobicContact CD1-CD2 3.91Å; L604-Y679 HydrophobicContact CD2-CE2 4.36Å; L604-M683 HydrophobicContact CD1-CE 3.8Å; L604-M683 HydrophobicContact CD2-CE 3.79Å; L604-M683 HydrophobicContact CG-CE 3.75Å |
| 605 | L | 87.5 | Confident | 80.7 | Confident | 81 Ų | 81 | 52 Ų | 52 | 42% | 0.424 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.1 | -39.1 | 178.5 | -66.6 | 171.2 | 0 | 0 | 0 | 111.4 | A601 F603 A608 L609 Y643 V647 | A601-L605 VanDerWaalsContact O-CB 3.26Å; A601-L605 WeakPolarHBondContact O-CB 3.32Å; A601-L605 WeakPolarHBondContact O-CG 3.47Å; A601-L605 PolarHBondContact O-N 3.3Å; F603-L605 PolarHBondContact O-N 3.19Å; L605-A608 PolarHBondContact O-N 3.46Å; L605-L609 VanDerWaalsContact O-CG 3.32Å; L605-L609 WeakPolarHBondContact O-CG 3.37Å; L605-L609 PolarHBondContact O-N 2.8Å; L605-Y643 HydrophobicContact CD2-CE1 4.36Å; L605-Y643 WeakPolarHBondContact CD2-OH 3.29Å; L605-V647 HydrophobicContact CD2-CG2 4.38Å |
| 606 | A | 86.4 | Confident | 79.9 | Confident | 57 Ų | 57 | 47.4 Ų | 47.4 | 47% | 0.471 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.1 | -47.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V602 F603 L609 G610 | V602-A606 VanDerWaalsContact O-CB 3.23Å; V602-A606 WeakPolarHBondContact O-CB 3.4Å; V602-A606 PolarHBondContact O-N 3.18Å; F603-A606 PolarHBondContact O-N 3.09Å; A606-L609 PolarHBondContact O-N 3Å; A606-G610 PolarHBondContact O-N 2.86Å |
| 607 | F | 85.2 | Confident | 78.8 | Confident | 27 Ų | 27 | 51 Ų | 51 | 12% | 0.118 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -71.2 | -31.5 | 177.1 | -76.5 | -73.6 | 0 | 0 | 0 | 112.4 | F603 G610 K611 L650 L675 I678 Y679 I682 | F603-F607 HydrophobicContact CB-CD2 4.39Å; F603-F607 HydrophobicContact CB-CE2 4.5Å; F603-F607 HydrophobicContact CD1-CE2 4.1Å; F603-F607 WeakPolarHBondContact O-CD2 3.42Å; F603-F607 PolarHBondContact O-N 3.22Å; F607-G610 PolarHBondContact O-N 3.18Å; F607-K611 PolarHBondContact O-N 2.58Å; F607-L650 HydrophobicContact CB-CD1 4.17Å; F607-L675 HydrophobicContact CD1-CD1 4.29Å; F607-L675 HydrophobicContact CD1-CG 4.33Å; F607-L675 HydrophobicContact CE1-CD1 4.18Å; F607-L675 HydrophobicContact CE1-CG 4.46Å; F607-I678 HydrophobicContact CE1-CG2 4.29Å; F607-I678 HydrophobicContact CZ-CG2 4.08Å; F607-Y679 HydrophobicContact CB-CD2 4.06Å; F607-Y679 HydrophobicContact CD1-CD2 4.3Å; F607-Y679 AromaticContact CD2-CD2 3.68Å; F607-Y679 HydrophobicContact CD2-CD2 3.68Å; F607-Y679 HydrophobicContact CD2-CE2 4.36Å; F607-Y679 HydrophobicContact CE2-CD2 4.19Å; F607-Y679 AromaticContact CG-CD2 3.76Å; F607-Y679 HydrophobicContact CG-CD2 3.76Å; F607-I682 HydrophobicContact CZ-CD1 4.33Å |
| 608 | A | 84 | Confident | 77.3 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.7 | -41 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L604 L605 S612 Y643 T646 V647 L650 | L604-A608 WeakPolarHBondContact O-CB 3.4Å; L604-A608 PolarHBondContact O-N 2.91Å; L605-A608 PolarHBondContact O-N 3.46Å; A608-S612 WeakPolarHBondContact O-CB 3.48Å; A608-S612 PolarHBondContact O-N 3.23Å; A608-Y643 HydrophobicContact CB-CE2 3.84Å; A608-T646 HydrophobicContact CB-CG2 4.26Å; A608-V647 HydrophobicContact CB-CB 4.48Å; A608-V647 HydrophobicContact CB-CG2 3.49Å; A608-V647 VanDerWaalsContact CB-CG2 3.49Å; A608-L650 VanDerWaalsContact CA-CD1 3.4Å; A608-L650 HydrophobicContact CB-CD1 3.8Å |
| 609 | L | 80.9 | Confident | 75.7 | Confident | 99 Ų | 99 | 46.8 Ų | 46.8 | 52% | 0.518 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.5 | -49.8 | 172.7 | -72.6 | 168.6 | 0 | 0 | 0 | 110.9 | L605 A606 K611 S612 V613 Y643 | L605-L609 VanDerWaalsContact O-CG 3.32Å; L605-L609 WeakPolarHBondContact O-CG 3.37Å; L605-L609 PolarHBondContact O-N 2.8Å; A606-L609 PolarHBondContact O-N 3Å; L609-K611 PolarHBondContact O-N 3.01Å; L609-S612 PolarHBondContact O-N 3.43Å; L609-V613 WeakPolarHBondContact O-CG2 3.43Å; L609-V613 PolarHBondContact O-N 3.36Å; L609-Y643 HydrophobicContact CD2-CD2 4.35Å; L609-Y643 HydrophobicContact CD2-CE2 3.65Å; L609-Y643 HydrophobicContact CG-CE2 3.89Å |
| 610 | G | 73.2 | Confident | 74.1 | Confident | 31 Ų | 31 | 50.9 Ų | 50.9 | 32% | 0.32 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.2 | -46.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | A606 F607 V614 | A606-G610 PolarHBondContact O-N 2.86Å; F607-G610 PolarHBondContact O-N 3.18Å; G610-V614 WeakPolarHBondContact O-CG2 3.46Å; G610-V614 PolarHBondContact O-N 2.62Å |
| 611 | K | 71.5 | Confident | 72.3 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 0% | 0.004 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.9 | -43 | 177.8 | -77.4 | -159.7 | 178.3 | 179.3 | 0 | 113 | F607 L609 V613 V614 F615 Y640 T646 L650 M672 L675 | F607-K611 PolarHBondContact O-N 2.58Å; L609-K611 PolarHBondContact O-N 3.01Å; K611-V613 VanDerWaalsContact C-N 3.29Å; K611-V613 PolarHBondContact O-N 3.21Å; K611-V614 PolarHBondContact O-N 2.77Å; K611-F615 WeakPolarHBondContact O-CB 3.21Å; K611-F615 PolarHBondContact O-N 3.11Å; K611-Y640 HydrophobicContact CD-CE1 4.33Å; K611-T646 HydrophobicContact CB-CG2 3.95Å; K611-L650 HydrophobicContact CD-CD1 4.39Å; K611-L650 HydrophobicContact CD-CD2 3.82Å; K611-L650 HydrophobicContact CD-CG 4.31Å; K611-M672 HydrophobicContact CD-CE 4.2Å; K611-M672 HydrophobicContact CG-CE 4.05Å; K611-L675 HydrophobicContact CG-CD2 4.06Å |
| 612 | S | 71.6 | Confident | 70.5 | Confident | 10 Ų | 10 | 56.2 Ų | 56.2 | 7% | 0.07 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.3 | -36.6 | -179.5 | 178 | 0 | 0 | 0 | 0 | 111.5 | A608 L609 N616 | A608-S612 WeakPolarHBondContact O-CB 3.48Å; A608-S612 PolarHBondContact O-N 3.23Å; L609-S612 PolarHBondContact O-N 3.43Å; S612-N616 WeakPolarHBondContact O-CB 3.25Å; S612-N616 PolarHBondContact O-N 2.9Å; S612-N616 PolarHBondContact O-ND2 2.87Å; S612-N616 PolarHBondContact OG-ND2 3.48Å |
| 613 | V | 70.8 | Confident | 68.7 | Low | 87 Ų | 87 | 59.8 Ų | 59.8 | 53% | 0.527 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.7 | -45.7 | 174.3 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | L609 K611 Q617 | L609-V613 WeakPolarHBondContact O-CG2 3.43Å; L609-V613 PolarHBondContact O-N 3.36Å; K611-V613 VanDerWaalsContact C-N 3.29Å; K611-V613 PolarHBondContact O-N 3.21Å; V613-Q617 WeakPolarHBondContact O-CG 3.31Å; V613-Q617 PolarHBondContact O-N 3.36Å; V613-Q617 VanDerWaalsContact O-N 3.13Å |
| 614 | V | 68.1 | Low | 66.9 | Low | 32 Ų | 32 | 64.2 Ų | 64.2 | 19% | 0.194 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.9 | -37.6 | 179.4 | 178 | 0 | 0 | 0 | 0 | 111.7 | G610 K611 L618 M672 | G610-V614 WeakPolarHBondContact O-CG2 3.46Å; G610-V614 PolarHBondContact O-N 2.62Å; K611-V614 PolarHBondContact O-N 2.77Å; V614-L618 PolarHBondContact O-N 3.44Å; V614-M672 HydrophobicContact CB-SD 4.05Å; V614-M672 HydrophobicContact CG1-CG 3.97Å; V614-M672 HydrophobicContact CG1-SD 3.65Å; V614-M672 HydrophobicContact CG2-SD 4.36Å |
| 615 | F | 64.5 | Low | 64.9 | Low | 16 Ų | 16 | 68.8 Ų | 68.8 | 7% | 0.07 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -78.3 | -33.5 | 177.4 | -107.6 | -86.6 | 0 | 0 | 0 | 113.6 | K611 Q617 L618 G619 Y640 M672 | K611-F615 WeakPolarHBondContact O-CB 3.21Å; K611-F615 PolarHBondContact O-N 3.11Å; F615-Q617 VanDerWaalsContact C-N 3.34Å; F615-L618 HydrophobicContact CD1-CD2 3.66Å; F615-L618 HydrophobicContact CE1-CD2 3.55Å; F615-L618 HydrophobicContact CG-CD2 4.37Å; F615-L618 HydrophobicContact CZ-CD2 4.17Å; F615-L618 CarbonylContact O-C 3.4Å; F615-L618 WeakPolarHBondContact O-CA 3.26Å; F615-L618 WeakPolarHBondContact O-CB 3.49Å; F615-L618 PolarHBondContact O-N 2.95Å; F615-G619 PolarHBondContact O-N 3Å; F615-Y640 HydrophobicContact CD1-CD2 4.19Å; F615-Y640 HydrophobicContact CD1-CG 4.1Å; F615-Y640 HydrophobicContact CD2-CD1 4.39Å; F615-Y640 HydrophobicContact CD2-CD2 4.2Å; F615-Y640 AromaticContact CD2-CG 3.97Å; F615-Y640 HydrophobicContact CD2-CG 3.97Å; F615-Y640 AromaticContact CE1-CD2 3.71Å; F615-Y640 HydrophobicContact CE1-CD2 3.71Å; F615-Y640 HydrophobicContact CE1-CG 4.1Å; F615-Y640 AromaticContact CE2-CD2 3.73Å; F615-Y640 HydrophobicContact CE2-CD2 3.73Å; F615-Y640 HydrophobicContact CE2-CE2 4.06Å; F615-Y640 AromaticContact CE2-CG 3.98Å; F615-Y640 HydrophobicContact CE2-CG 3.98Å; F615-Y640 HydrophobicContact CG-CD2 4.41Å; F615-Y640 HydrophobicContact CG-CG 4.03Å; F615-Y640 AromaticContact CZ-CD2 3.46Å; F615-Y640 HydrophobicContact CZ-CD2 3.46Å; F615-Y640 VanDerWaalsContact CZ-CD2 3.46Å; F615-Y640 AromaticContact CZ-CE2 3.94Å; F615-Y640 HydrophobicContact CZ-CE2 3.94Å; F615-Y640 HydrophobicContact CZ-CG 4.05Å; F615-M672 HydrophobicContact CD2-CE 4.28Å; F615-M672 HydrophobicContact CE2-CE 4.2Å |
| 616 | N | 63.9 | Low | 63 | Low | 79 Ų | 79 | 74.4 Ų | 74.4 | 42% | 0.422 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68.9 | -35.6 | 174.4 | -78.3 | -21.9 | 0 | 0 | 0 | 111.5 | S612 L618 G619 Q620 | S612-N616 WeakPolarHBondContact O-CB 3.25Å; S612-N616 PolarHBondContact O-N 2.9Å; S612-N616 PolarHBondContact O-ND2 2.87Å; S612-N616 PolarHBondContact OG-ND2 3.48Å; N616-L618 PolarHBondContact O-N 3.16Å; N616-G619 PolarHBondContact O-N 2.84Å; N616-Q620 PolarHBondContact O-N 3.41Å |
| 617 | Q | 60.2 | Low | 61.2 | Low | 111 Ų | 111 | 75.9 Ų | 75.9 | 52% | 0.519 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63 | -31.9 | 168.5 | -75.1 | -178.1 | -15.6 | 0 | 0 | 111.8 | V613 F615 N621 | V613-Q617 WeakPolarHBondContact O-CG 3.31Å; V613-Q617 PolarHBondContact O-N 3.36Å; V613-Q617 VanDerWaalsContact O-N 3.13Å; F615-Q617 VanDerWaalsContact C-N 3.34Å; Q617-N621 PolarHBondContact O-N 3.42Å |
| 618 | L | 52.4 | Low | 59.5 | Low | 21 Ų | 21 | 81.2 Ų | 81.2 | 11% | 0.11 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -67.8 | -41.6 | 171.5 | -168.5 | 74.6 | 0 | 0 | 0 | 111.8 | V614 F615 N616 Q620 N621 M622 | V614-L618 PolarHBondContact O-N 3.44Å; F615-L618 HydrophobicContact CD1-CD2 3.66Å; F615-L618 HydrophobicContact CE1-CD2 3.55Å; F615-L618 HydrophobicContact CG-CD2 4.37Å; F615-L618 HydrophobicContact CZ-CD2 4.17Å; F615-L618 CarbonylContact O-C 3.4Å; F615-L618 WeakPolarHBondContact O-CA 3.26Å; F615-L618 WeakPolarHBondContact O-CB 3.49Å; F615-L618 PolarHBondContact O-N 2.95Å; N616-L618 PolarHBondContact O-N 3.16Å; L618-Q620 PolarHBondContact O-N 2.87Å; L618-N621 PolarHBondContact O-N 3.33Å; L618-N621 VanDerWaalsContact O-N 3.16Å; L618-M622 HydrophobicContact CD1-CE 4.09Å; L618-M622 HydrophobicContact CD2-CE 3.47Å; L618-M622 VanDerWaalsContact CD2-CE 3.47Å; L618-M622 HydrophobicContact CG-CB 4.3Å; L618-M622 HydrophobicContact CG-CE 3.73Å; L618-M622 WeakPolarHBondContact O-CA 3.31Å; L618-M622 WeakPolarHBondContact O-CB 3.29Å; L618-M622 PolarHBondContact O-N 3.04Å |
| 619 | G | 53.1 | Low | 57.8 | Low | 51 Ų | 51 | 86.2 Ų | 86.2 | 53% | 0.526 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57.7 | -33.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F615 N616 | F615-G619 PolarHBondContact O-N 3Å; N616-G619 PolarHBondContact O-N 2.84Å |
| 620 | Q | 51.2 | Low | 56.2 | Low | 154 Ų | 154 | 91.8 Ų | 91.8 | 72% | 0.72 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -74.8 | -39.9 | 176.1 | -69.5 | -175.9 | -19.1 | 0 | 0 | 112.9 | N616 L618 | N616-Q620 PolarHBondContact O-N 3.41Å; L618-Q620 PolarHBondContact O-N 2.87Å |
| 621 | N | 47.1 | Very low | 55 | Low | 102 Ų | 102 | 93.9 Ų | 93.9 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -90 | -26.2 | -176.8 | -64.7 | -5.3 | 0 | 0 | 0 | 113.6 | Q617 L618 M623 E624 L625 | Q617-N621 PolarHBondContact O-N 3.42Å; L618-N621 PolarHBondContact O-N 3.33Å; L618-N621 VanDerWaalsContact O-N 3.16Å; N621-M623 PolarHBondContact O-N 3.38Å; N621-E624 WeakPolarHBondContact O-CB 3.27Å; N621-E624 PolarHBondContact O-N 3.37Å; N621-L625 PolarHBondContact O-N 3.21Å; N621-L625 VanDerWaalsContact O-N 3.16Å |
| 622 | M | 47.9 | Very low | 53.8 | Low | 56 Ų | 56 | 101.7 Ų | 101.7 | 28% | 0.276 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -74.1 | -17.9 | 176.9 | -163.1 | -169.1 | -90.6 | 0 | 0 | 111.4 | L618 E624 L625 R626 C665 | L618-M622 HydrophobicContact CD1-CE 4.09Å; L618-M622 HydrophobicContact CD2-CE 3.47Å; L618-M622 VanDerWaalsContact CD2-CE 3.47Å; L618-M622 HydrophobicContact CG-CB 4.3Å; L618-M622 HydrophobicContact CG-CE 3.73Å; L618-M622 WeakPolarHBondContact O-CA 3.31Å; L618-M622 WeakPolarHBondContact O-CB 3.29Å; L618-M622 PolarHBondContact O-N 3.04Å; M622-E624 PolarHBondContact O-N 3.21Å; M622-L625 PolarHBondContact O-N 2.88Å; M622-R626 WeakPolarHBondContact O-CB 3.26Å; M622-R626 PolarHBondContact O-N 3.23Å; M622-C665 HydrophobicContact CE-CB 4.06Å |
| 623 | M | 50.5 | Low | 52.7 | Low | 163 Ų | 163 | 104.4 Ų | 104.4 | 80% | 0.803 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.4 | -33.1 | 165.4 | -160.6 | 176.6 | -155.1 | 0 | 0 | 111.3 | N621 | N621-M623 PolarHBondContact O-N 3.38Å |
| 624 | E | 47.7 | Very low | 51.6 | Low | 155 Ų | 155 | 102.7 Ų | 102.7 | 72% | 0.724 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -79.3 | -34.9 | 173.1 | -62.3 | -173.9 | 157.1 | 0 | 0 | 112.2 | N621 M622 | N621-E624 WeakPolarHBondContact O-CB 3.27Å; N621-E624 PolarHBondContact O-N 3.37Å; M622-E624 PolarHBondContact O-N 3.21Å |
| 625 | L | 45.5 | Very low | 50.6 | Low | 112 Ų | 112 | 109.4 Ų | 109.4 | 59% | 0.586 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -83.9 | -21.3 | -177.7 | -144 | 79.7 | 0 | 0 | 0 | 114.8 | N621 M622 A627 M628 | N621-L625 PolarHBondContact O-N 3.21Å; N621-L625 VanDerWaalsContact O-N 3.16Å; M622-L625 PolarHBondContact O-N 2.88Å; L625-A627 PolarHBondContact O-N 3.04Å; L625-M628 CarbonylContact O-C 3.53Å; L625-M628 PolarHBondContact O-N 2.91Å |
| 626 | R | 48 | Very low | 49.8 | Very low | 198 Ų | 198 | 115.9 Ų | 115.9 | 75% | 0.747 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -20.2 | 170.6 | -101.9 | -177.5 | 174.9 | 171.5 | 0 | 112.3 | M622 M628 | M622-R626 WeakPolarHBondContact O-CB 3.26Å; M622-R626 PolarHBondContact O-N 3.23Å; R626-M628 VanDerWaalsContact C-N 3.34Å |
| 627 | A | 48.5 | Very low | 49.3 | Very low | 88 Ų | 88 | 120.3 Ų | 120.3 | 73% | 0.727 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -18.2 | 173 | 0 | 0 | 0 | 0 | 0 | 113.8 | L625 | L625-A627 PolarHBondContact O-N 3.04Š|
| 628 | M | 49 | Very low | 49.2 | Very low | 139 Ų | 139 | 116.7 Ų | 116.7 | 69% | 0.685 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -117.1 | 96.8 | 179.7 | -71.5 | -167.5 | -98.6 | 0 | 0 | 110.3 | L625 R626 Y630 | L625-M628 CarbonylContact O-C 3.53Å; L625-M628 PolarHBondContact O-N 2.91Å; R626-M628 VanDerWaalsContact C-N 3.34Å; M628-Y630 PolarHBondContact O-N 3.24Å |
| 629 | A | 48.4 | Very low | 49.8 | Very low | 105 Ų | 105 | 117.5 Ų | 117.5 | 87% | 0.868 | 63% | 0.629 | S | S | * | * | trans | -60.6 | 74.8 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 630 | Y | 48.1 | Very low | 50.5 | Low | 216 Ų | 216 | 115.7 Ų | 115.7 | 85% | 0.847 | 61% | 0.607 | S | S | * | * | trans | -110.7 | -5.9 | 171.1 | -149.3 | -97 | 0 | 0 | 0 | 115.1 | M628 | M628-Y630 PolarHBondContact O-N 3.24Š| ||
| 631 | C | 46.8 | Very low | 51.3 | Low | 75 Ų | 75 | 112 Ų | 112 | 51% | 0.507 | 59% | 0.592 | S | S | . | * | trans | -132.6 | 104.7 | 175.4 | -57.2 | 0 | 0 | 0 | 0 | 110 | V633 | C631-V633 HydrophobicContact CB-CG2 4.06Å; C631-V633 PolarHBondContact O-N 3.23Å | ||
| 632 | D | 45.7 | Very low | 52.7 | Low | 166 Ų | 166 | 111.1 Ų | 111.1 | 89% | 0.888 | 59% | 0.591 | S | S | * | * | trans | -74.3 | 64.6 | 172.2 | -166.8 | 23.6 | 0 | 0 | 0 | 109.7 | G634 | D632-G634 PolarHBondContact O-N 3.48Å; D632-G634 VanDerWaalsContact O-N 3.08Å | ||
| 633 | V | 49.1 | Very low | 54.3 | Low | 67 Ų | 67 | 112.6 Ų | 112.6 | 41% | 0.406 | 59% | 0.594 | S | S | . | * | trans | -83 | 77.6 | 170.7 | -172.1 | 0 | 0 | 0 | 0 | 106.3 | C631 D635 L662 | C631-V633 HydrophobicContact CB-CG2 4.06Å; C631-V633 PolarHBondContact O-N 3.23Å; V633-D635 PolarHBondContact O-N 3.11Å; V633-D635 VanDerWaalsContact O-N 3.17Å; V633-L662 HydrophobicContact CG1-CD2 4.33Å | ||
| 634 | G | 47.3 | Very low | 55.8 | Low | 50 Ų | 50 | 106.9 Ų | 106.9 | 52% | 0.515 | 58% | 0.577 | S | S | . | * | trans | -55.2 | 121.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | D632 K636 | D632-G634 PolarHBondContact O-N 3.48Å; D632-G634 VanDerWaalsContact O-N 3.08Å; G634-K636 PolarHBondContact O-N 3.34Å | ||
| 635 | D | 47.8 | Very low | 57.3 | Low | 173 Ų | 173 | 103.2 Ų | 103.2 | 93% | 0.925 | 56% | 0.559 | S | S | * | * | S | Bend | trans | 31.3 | 3.7 | 168.3 | -87.7 | -11 | 0 | 0 | 0 | 121.4 | V633 K637 | V633-D635 PolarHBondContact O-N 3.11Å; V633-D635 VanDerWaalsContact O-N 3.17Å; D635-K637 PolarHBondContact O-N 3.47Å; D635-K637 VanDerWaalsContact O-N 3.08Å |
| 636 | K | 48.5 | Very low | 59.1 | Low | 152 Ų | 152 | 97.9 Ų | 97.9 | 66% | 0.661 | 53% | 0.531 | S | S | * | . | trans | -74.6 | 104.1 | 171.5 | -70.9 | -179.7 | -178.5 | 177.1 | 0 | 105.8 | G634 S638 | G634-K636 PolarHBondContact O-N 3.34Å; K636-S638 PolarHBondContact O-N 3.12Å | ||
| 637 | K | 52.6 | Low | 60.9 | Low | 172 Ų | 172 | 90.2 Ų | 90.2 | 75% | 0.748 | 51% | 0.507 | S | S | * | . | trans | -36.6 | 125.6 | 160.4 | -76 | -179 | 175.7 | -179.8 | 0 | 108.1 | D635 S639 | D635-K637 PolarHBondContact O-N 3.47Å; D635-K637 VanDerWaalsContact O-N 3.08Å; K637-S639 PolarHBondContact O-N 3.46Å; K637-S639 VanDerWaalsContact O-N 3.14Å | ||
| 638 | S | 57.5 | Low | 62.6 | Low | 35 Ų | 35 | 91.6 Ų | 91.6 | 25% | 0.245 | 50% | 0.501 | C | S | . | . | trans | -56.6 | 122.4 | 180 | 17.2 | 0 | 0 | 0 | 0 | 108.3 | K636 Y640 D641 | K636-S638 PolarHBondContact O-N 3.12Å; S638-Y640 PolarHBondContact O-N 2.8Å; S638-D641 VanDerWaalsContact CB-OD1 3.31Å; S638-D641 WeakPolarHBondContact CB-OD1 3.42Å; S638-D641 VanDerWaalsContact O-CG 3.29Å; S638-D641 PolarHBondContact O-N 3.37Å; S638-D641 PolarHBondContact OG-OD1 2.93Å; S638-D641 PolarHBondContact OG-OD2 3.4Å | ||
| 639 | S | 65.2 | Low | 64.1 | Low | 38 Ų | 38 | 86.2 Ų | 86.2 | 27% | 0.266 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 13.4 | -176.4 | -50.1 | 0 | 0 | 0 | 0 | 115.1 | K637 T649 | K637-S639 PolarHBondContact O-N 3.46Å; K637-S639 VanDerWaalsContact O-N 3.14Å; S639-T649 PolarHBondContact O-OG1 3.28Å |
| 640 | Y | 68.5 | Low | 65.8 | Low | 13 Ų | 13 | 81.2 Ų | 81.2 | 5% | 0.051 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -134.8 | 14.4 | -171 | -62.3 | -75.7 | 0 | 0 | 0 | 112.9 | K611 F615 S638 T646 T649 L662 | K611-Y640 HydrophobicContact CD-CE1 4.33Å; F615-Y640 HydrophobicContact CD1-CD2 4.19Å; F615-Y640 HydrophobicContact CD1-CG 4.1Å; F615-Y640 HydrophobicContact CD2-CD1 4.39Å; F615-Y640 HydrophobicContact CD2-CD2 4.2Å; F615-Y640 AromaticContact CD2-CG 3.97Å; F615-Y640 HydrophobicContact CD2-CG 3.97Å; F615-Y640 AromaticContact CE1-CD2 3.71Å; F615-Y640 HydrophobicContact CE1-CD2 3.71Å; F615-Y640 HydrophobicContact CE1-CG 4.1Å; F615-Y640 AromaticContact CE2-CD2 3.73Å; F615-Y640 HydrophobicContact CE2-CD2 3.73Å; F615-Y640 HydrophobicContact CE2-CE2 4.06Å; F615-Y640 AromaticContact CE2-CG 3.98Å; F615-Y640 HydrophobicContact CE2-CG 3.98Å; F615-Y640 HydrophobicContact CG-CD2 4.41Å; F615-Y640 HydrophobicContact CG-CG 4.03Å; F615-Y640 AromaticContact CZ-CD2 3.46Å; F615-Y640 HydrophobicContact CZ-CD2 3.46Å; F615-Y640 VanDerWaalsContact CZ-CD2 3.46Å; F615-Y640 AromaticContact CZ-CE2 3.94Å; F615-Y640 HydrophobicContact CZ-CE2 3.94Å; F615-Y640 HydrophobicContact CZ-CG 4.05Å; S638-Y640 PolarHBondContact O-N 2.8Å; Y640-T646 HydrophobicContact CD1-CG2 4.03Å; Y640-T649 HydrophobicContact CE1-CG2 3.7Å; Y640-T649 HydrophobicContact CE2-CG2 4.27Å; Y640-T649 WeakPolarHBondContact OH-CG2 3.37Å; Y640-L662 HydrophobicContact CE2-CD1 4.43Å |
| 641 | D | 68 | Low | 67.5 | Low | 78 Ų | 78 | 75.7 Ų | 75.7 | 42% | 0.417 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -68.6 | -41.8 | -176.7 | -69.1 | -14.1 | 0 | 0 | 0 | 111.8 | S638 | S638-D641 VanDerWaalsContact CB-OD1 3.31Å; S638-D641 WeakPolarHBondContact CB-OD1 3.42Å; S638-D641 VanDerWaalsContact O-CG 3.29Å; S638-D641 PolarHBondContact O-N 3.37Å; S638-D641 PolarHBondContact OG-OD1 2.93Å; S638-D641 PolarHBondContact OG-OD2 3.4Å |
| 642 | T | 76.8 | Confident | 69.3 | Low | 83 Ų | 83 | 77.2 Ų | 77.2 | 51% | 0.509 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -106.6 | 149.8 | 178.2 | -47.9 | 0 | 0 | 0 | 0 | 111.7 | G644 E645 T646 | T642-G644 VanDerWaalsContact C-N 3.25Å; T642-G644 PolarHBondContact O-N 3.45Å; T642-E645 PolarHBondContact N-OE2 3.27Å; T642-E645 VanDerWaalsContact N-OE2 3.11Å; T642-E645 PolarHBondContact O-N 2.95Å; T642-E645 VanDerWaalsContact O-N 3.15Å; T642-T646 PolarHBondContact O-N 2.84Å; T642-T646 PolarHBondContact O-OG1 3.26Å; T642-T646 VanDerWaalsContact O-OG1 3.13Å |
| 643 | Y | 81.1 | Confident | 71 | Confident | 87 Ų | 87 | 69.5 Ų | 69.5 | 34% | 0.341 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -53 | -43.5 | 172.3 | 178.4 | -104.1 | 0 | 0 | 0 | 112 | L605 A608 L609 E645 T646 V647 | L605-Y643 HydrophobicContact CD2-CE1 4.36Å; L605-Y643 WeakPolarHBondContact CD2-OH 3.29Å; A608-Y643 HydrophobicContact CB-CE2 3.84Å; L609-Y643 HydrophobicContact CD2-CD2 4.35Å; L609-Y643 HydrophobicContact CD2-CE2 3.65Å; L609-Y643 HydrophobicContact CG-CE2 3.89Å; Y643-E645 PolarHBondContact O-N 3Å; Y643-T646 WeakPolarHBondContact O-CB 3.42Å; Y643-T646 PolarHBondContact O-N 2.92Å; Y643-V647 HydrophobicContact CD1-CG2 4.31Å; Y643-V647 HydrophobicContact CE1-CG2 3.89Å; Y643-V647 HydrophobicContact CE2-CG2 4.38Å; Y643-V647 WeakPolarHBondContact O-CG2 3.46Å; Y643-V647 PolarHBondContact O-N 2.7Å |
| 644 | G | 80.8 | Confident | 72.4 | Confident | 43 Ų | 43 | 66.6 Ų | 66.6 | 44% | 0.443 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | T642 T646 V647 L648 | T642-G644 VanDerWaalsContact C-N 3.25Å; T642-G644 PolarHBondContact O-N 3.45Å; G644-T646 VanDerWaalsContact C-N 3.34Å; G644-V647 PolarHBondContact O-N 3.49Å; G644-L648 PolarHBondContact O-N 3.02Å |
| 645 | E | 80.6 | Confident | 73.9 | Confident | 77 Ų | 77 | 71.7 Ų | 71.7 | 36% | 0.36 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.2 | -37.7 | 174.9 | -67.5 | 172.9 | 157 | 0 | 0 | 111.1 | T642 Y643 V647 L648 T649 | T642-E645 PolarHBondContact N-OE2 3.27Å; T642-E645 VanDerWaalsContact N-OE2 3.11Å; T642-E645 PolarHBondContact O-N 2.95Å; T642-E645 VanDerWaalsContact O-N 3.15Å; Y643-E645 PolarHBondContact O-N 3Å; E645-V647 VanDerWaalsContact C-N 3.34Å; E645-V647 PolarHBondContact O-N 3.46Å; E645-L648 PolarHBondContact O-N 2.92Å; E645-T649 VanDerWaalsContact O-CB 3.29Å; E645-T649 WeakPolarHBondContact O-CB 3.31Å; E645-T649 PolarHBondContact O-N 3.43Å; E645-T649 PolarHBondContact O-OG1 3.09Å |
| 646 | T | 82.8 | Confident | 75.3 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 174.2 | -59 | 0 | 0 | 0 | 0 | 111.4 | A608 K611 Y640 T642 Y643 G644 L650 | A608-T646 HydrophobicContact CB-CG2 4.26Å; K611-T646 HydrophobicContact CB-CG2 3.95Å; Y640-T646 HydrophobicContact CD1-CG2 4.03Å; T642-T646 PolarHBondContact O-N 2.84Å; T642-T646 PolarHBondContact O-OG1 3.26Å; T642-T646 VanDerWaalsContact O-OG1 3.13Å; Y643-T646 WeakPolarHBondContact O-CB 3.42Å; Y643-T646 PolarHBondContact O-N 2.92Å; G644-T646 VanDerWaalsContact C-N 3.34Å; T646-L650 HydrophobicContact CG2-CD1 4.16Å; T646-L650 WeakPolarHBondContact O-CB 3.41Å; T646-L650 WeakPolarHBondContact O-CG 3.45Å; T646-L650 PolarHBondContact O-N 2.92Å |
| 647 | V | 85.8 | Confident | 76.5 | Confident | 38 Ų | 38 | 60 Ų | 60 | 23% | 0.23 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.8 | -46.9 | 174.8 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | L605 A608 Y643 G644 E645 L650 F651 | L605-V647 HydrophobicContact CD2-CG2 4.38Å; A608-V647 HydrophobicContact CB-CB 4.48Å; A608-V647 HydrophobicContact CB-CG2 3.49Å; A608-V647 VanDerWaalsContact CB-CG2 3.49Å; Y643-V647 HydrophobicContact CD1-CG2 4.31Å; Y643-V647 HydrophobicContact CE1-CG2 3.89Å; Y643-V647 HydrophobicContact CE2-CG2 4.38Å; Y643-V647 WeakPolarHBondContact O-CG2 3.46Å; Y643-V647 PolarHBondContact O-N 2.7Å; G644-V647 PolarHBondContact O-N 3.49Å; E645-V647 VanDerWaalsContact C-N 3.34Å; E645-V647 PolarHBondContact O-N 3.46Å; V647-L650 PolarHBondContact O-N 3.03Å; V647-F651 WeakPolarHBondContact O-CB 3.46Å; V647-F651 PolarHBondContact O-N 3.32Å |
| 648 | L | 83.7 | Confident | 77.4 | Confident | 116 Ų | 116 | 57.6 Ų | 57.6 | 61% | 0.607 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65 | -42.2 | 179.3 | -177 | 63.3 | 0 | 0 | 0 | 112.1 | G644 E645 F651 K652 | G644-L648 PolarHBondContact O-N 3.02Å; E645-L648 PolarHBondContact O-N 2.92Å; L648-F651 PolarHBondContact O-N 3.22Å; L648-K652 WeakPolarHBondContact O-CB 3.09Å; L648-K652 PolarHBondContact O-N 3.3Å |
| 649 | T | 81.9 | Confident | 78 | Confident | 27 Ų | 27 | 59.6 Ų | 59.6 | 17% | 0.166 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.8 | -38 | 177.7 | -60.9 | 0 | 0 | 0 | 0 | 111.2 | S639 Y640 E645 K652 A653 | S639-T649 PolarHBondContact O-OG1 3.28Å; Y640-T649 HydrophobicContact CE1-CG2 3.7Å; Y640-T649 HydrophobicContact CE2-CG2 4.27Å; Y640-T649 WeakPolarHBondContact OH-CG2 3.37Å; E645-T649 VanDerWaalsContact O-CB 3.29Å; E645-T649 WeakPolarHBondContact O-CB 3.31Å; E645-T649 PolarHBondContact O-N 3.43Å; E645-T649 PolarHBondContact O-OG1 3.09Å; T649-K652 PolarHBondContact O-N 3.06Å; T649-A653 WeakPolarHBondContact O-CB 3.27Å; T649-A653 PolarHBondContact O-N 3.24Å |
| 650 | L | 83.5 | Confident | 78.1 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66 | -43.1 | 171.7 | -79.9 | 172.6 | 0 | 0 | 0 | 111.9 | L604 F607 A608 K611 T646 V647 K652 A653 A654 Y679 | L604-L650 HydrophobicContact CD2-CB 4.02Å; F607-L650 HydrophobicContact CB-CD1 4.17Å; A608-L650 VanDerWaalsContact CA-CD1 3.4Å; A608-L650 HydrophobicContact CB-CD1 3.8Å; K611-L650 HydrophobicContact CD-CD1 4.39Å; K611-L650 HydrophobicContact CD-CD2 3.82Å; K611-L650 HydrophobicContact CD-CG 4.31Å; T646-L650 HydrophobicContact CG2-CD1 4.16Å; T646-L650 WeakPolarHBondContact O-CB 3.41Å; T646-L650 WeakPolarHBondContact O-CG 3.45Å; T646-L650 PolarHBondContact O-N 2.92Å; V647-L650 PolarHBondContact O-N 3.03Å; L650-K652 VanDerWaalsContact C-N 3.34Å; L650-K652 PolarHBondContact O-N 2.71Å; L650-A653 CarbonylContact O-C 3.6Å; L650-A653 WeakPolarHBondContact O-CA 3.38Å; L650-A653 WeakPolarHBondContact O-CB 3.38Å; L650-A653 PolarHBondContact O-N 3.39Å; L650-A653 VanDerWaalsContact O-N 3.11Å; L650-A654 PolarHBondContact O-N 3.25Å; L650-Y679 HydrophobicContact CD2-CD1 4.37Å; L650-Y679 HydrophobicContact CD2-CD2 4.43Å; L650-Y679 HydrophobicContact CD2-CE1 4.1Å; L650-Y679 HydrophobicContact CD2-CE2 4.17Å; L650-Y679 PolarHBondContact O-OH 2.93Å |
| 651 | F | 83.6 | Confident | 78.1 | Confident | 99 Ų | 99 | 70 Ų | 70 | 43% | 0.434 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 174.2 | -176.7 | -102.3 | 0 | 0 | 0 | 111.8 | L604 V647 L648 A653 A654 F655 | L604-F651 HydrophobicContact CD1-CD2 3.91Å; V647-F651 WeakPolarHBondContact O-CB 3.46Å; V647-F651 PolarHBondContact O-N 3.32Å; L648-F651 PolarHBondContact O-N 3.22Å; F651-A653 VanDerWaalsContact C-N 3.31Å; F651-A653 PolarHBondContact O-N 3.42Å; F651-A654 WeakPolarHBondContact O-CB 3.47Å; F651-A654 PolarHBondContact O-N 3.31Å; F651-A654 VanDerWaalsContact O-N 3.08Å; F651-F655 HydrophobicContact CD1-CE2 4.43Å; F651-F655 HydrophobicContact CD2-CE2 4.49Å; F651-F655 HydrophobicContact CE1-CD2 4.4Å; F651-F655 AromaticContact CE1-CE2 3.82Å; F651-F655 HydrophobicContact CE1-CE2 3.82Å; F651-F655 AromaticContact CE2-CE2 3.9Å; F651-F655 HydrophobicContact CE2-CE2 3.9Å; F651-F655 AromaticContact CZ-CE2 3.54Å; F651-F655 HydrophobicContact CZ-CE2 3.54Å; F651-F655 HydrophobicContact CZ-CZ 4.29Å |
| 652 | K | 83.7 | Confident | 78 | Confident | 108 Ų | 108 | 67.7 Ų | 67.7 | 47% | 0.47 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 171.9 | -175.6 | -173.2 | 174.8 | -169.9 | 0 | 111.7 | L648 T649 L650 A654 F655 G657 E659 | L648-K652 WeakPolarHBondContact O-CB 3.09Å; L648-K652 PolarHBondContact O-N 3.3Å; T649-K652 PolarHBondContact O-N 3.06Å; L650-K652 VanDerWaalsContact C-N 3.34Å; L650-K652 PolarHBondContact O-N 2.71Å; K652-A654 PolarHBondContact O-N 3.07Å; K652-F655 PolarHBondContact O-N 3.34Å; K652-G657 PolarHBondContact O-N 2.9Å; K652-G657 VanDerWaalsContact O-N 3.16Å; K652-E659 IonicContact NZ-OE1 3.81Å |
| 653 | A | 81.2 | Confident | 77.6 | Confident | 4 Ų | 4 | 63.9 Ų | 63.9 | 3% | 0.033 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.4 | -27.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T649 L650 F651 F655 G656 Y679 | T649-A653 WeakPolarHBondContact O-CB 3.27Å; T649-A653 PolarHBondContact O-N 3.24Å; L650-A653 CarbonylContact O-C 3.6Å; L650-A653 WeakPolarHBondContact O-CA 3.38Å; L650-A653 WeakPolarHBondContact O-CB 3.38Å; L650-A653 PolarHBondContact O-N 3.39Å; L650-A653 VanDerWaalsContact O-N 3.11Å; F651-A653 VanDerWaalsContact C-N 3.31Å; F651-A653 PolarHBondContact O-N 3.42Å; A653-F655 PolarHBondContact O-N 2.89Å; A653-G656 PolarHBondContact O-N 3.38Å; A653-Y679 HydrophobicContact CB-CE1 4.16Å |
| 654 | A | 79 | Confident | 76.9 | Confident | 6 Ų | 6 | 64.6 Ų | 64.6 | 5% | 0.05 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.3 | -33.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | L650 F651 K652 M683 | L650-A654 PolarHBondContact O-N 3.25Å; F651-A654 WeakPolarHBondContact O-CB 3.47Å; F651-A654 PolarHBondContact O-N 3.31Å; F651-A654 VanDerWaalsContact O-N 3.08Å; K652-A654 PolarHBondContact O-N 3.07Å; A654-M683 HydrophobicContact CB-CE 3.37Å; A654-M683 HydrophobicContact CB-SD 3.35Å; A654-M683 WeakPolarHBondContact CB-SD 3.18Å |
| 655 | F | 79.8 | Confident | 76.1 | Confident | 156 Ų | 156 | 64 Ų | 64 | 68% | 0.684 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 11.4 | 179 | -66.8 | -77.9 | 0 | 0 | 0 | 113.7 | F651 K652 A653 | F651-F655 HydrophobicContact CD1-CE2 4.43Å; F651-F655 HydrophobicContact CD2-CE2 4.49Å; F651-F655 HydrophobicContact CE1-CD2 4.4Å; F651-F655 AromaticContact CE1-CE2 3.82Å; F651-F655 HydrophobicContact CE1-CE2 3.82Å; F651-F655 AromaticContact CE2-CE2 3.9Å; F651-F655 HydrophobicContact CE2-CE2 3.9Å; F651-F655 AromaticContact CZ-CE2 3.54Å; F651-F655 HydrophobicContact CZ-CE2 3.54Å; F651-F655 HydrophobicContact CZ-CZ 4.29Å; K652-F655 PolarHBondContact O-N 3.34Å; A653-F655 PolarHBondContact O-N 2.89Å |
| 656 | G | 75.9 | Confident | 75.5 | Confident | 50 Ų | 50 | 60.6 Ų | 60.6 | 52% | 0.515 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.9 | 3.6 | 176 | 0 | 0 | 0 | 0 | 0 | 115.7 | A653 Y658 | A653-G656 PolarHBondContact O-N 3.38Å; G656-Y658 PolarHBondContact O-N 3.23Å |
| 657 | G | 74.2 | Confident | 74.5 | Confident | 31 Ų | 31 | 67.6 Ų | 67.6 | 32% | 0.32 | 34% | 0.338 | S | S | . | . | trans | -87.9 | 58.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | K652 | K652-G657 PolarHBondContact O-N 2.9Å; K652-G657 VanDerWaalsContact O-N 3.16Å | ||
| 658 | Y | 71.9 | Confident | 74 | Confident | 120 Ų | 120 | 72.1 Ų | 72.1 | 47% | 0.471 | 35% | 0.352 | S | S | . | . | trans | -99.8 | 136.7 | 179.9 | 61.5 | -92.6 | 0 | 0 | 0 | 112.9 | G656 F676 | G656-Y658 PolarHBondContact O-N 3.23Å; Y658-F676 HydrophobicContact CD1-CZ 4.33Å; Y658-F676 HydrophobicContact CD2-CE1 4.19Å; Y658-F676 HydrophobicContact CD2-CZ 4.02Å; Y658-F676 HydrophobicContact CG-CE1 4.36Å; Y658-F676 AromaticContact CG-CZ 3.75Å; Y658-F676 HydrophobicContact CG-CZ 3.75Å | ||
| 659 | E | 70 | Confident | 73.6 | Confident | 77 Ų | 77 | 69 Ų | 69 | 36% | 0.36 | 34% | 0.337 | S | S | . | . | trans | -101.8 | 97.5 | 175.8 | -71.4 | 169.9 | -152.9 | 0 | 0 | 108.7 | K652 E661 L662 | K652-E659 IonicContact NZ-OE1 3.81Å; E659-E661 VanDerWaalsContact C-N 3.27Å; E659-E661 PolarHBondContact O-N 3.4Å; E659-L662 HydrophobicContact CB-CD1 3.97Å; E659-L662 HydrophobicContact CB-CG 4.34Å; E659-L662 WeakPolarHBondContact OE2-CD1 3.44Å | ||
| 660 | Y | 67.9 | Low | 73.6 | Confident | 106 Ų | 106 | 72.5 Ų | 72.5 | 42% | 0.416 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -65.9 | -31.4 | -177.2 | 179.4 | -95.4 | 0 | 0 | 0 | 112.5 | L662 L663 E664 K673 | Y660-L662 VanDerWaalsContact C-N 3.28Å; Y660-L662 PolarHBondContact O-N 2.95Å; Y660-L663 HydrophobicContact CD2-CD1 4.42Å; Y660-L663 WeakPolarHBondContact O-CB 3.38Å; Y660-L663 PolarHBondContact O-N 2.94Å; Y660-E664 HydrophobicContact CD1-CG 4.42Å; Y660-E664 HydrophobicContact CE1-CG 3.96Å; Y660-E664 VanDerWaalsContact CE1-OE1 3.24Å; Y660-E664 WeakPolarHBondContact CE1-OE1 3.49Å; Y660-E664 PolarHBondContact OH-OE1 3.44Å; Y660-K673 WeakPolarHBondContact OH-CE 3.46Å; Y660-K673 PolarHBondContact OH-NZ 3.39Å |
| 661 | E | 67.8 | Low | 73.5 | Confident | 164 Ų | 164 | 77.3 Ų | 77.3 | 77% | 0.766 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -59.5 | -36.9 | -178.5 | -62.9 | 173.7 | -176.3 | 0 | 0 | 112.5 | E659 L663 E664 | E659-E661 VanDerWaalsContact C-N 3.27Å; E659-E661 PolarHBondContact O-N 3.4Å; E661-L663 VanDerWaalsContact C-N 3.26Å; E661-L663 PolarHBondContact O-N 3.49Å; E661-E664 PolarHBondContact O-N 3.22Å |
| 662 | L | 67.1 | Low | 73.2 | Confident | 29 Ų | 29 | 72.6 Ų | 72.6 | 15% | 0.152 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -69.1 | -22.5 | 178.1 | -69.3 | 172.7 | 0 | 0 | 0 | 113.2 | V633 Y640 E659 Y660 | V633-L662 HydrophobicContact CG1-CD2 4.33Å; Y640-L662 HydrophobicContact CE2-CD1 4.43Å; E659-L662 HydrophobicContact CB-CD1 3.97Å; E659-L662 HydrophobicContact CB-CG 4.34Å; E659-L662 WeakPolarHBondContact OE2-CD1 3.44Å; Y660-L662 VanDerWaalsContact C-N 3.28Å; Y660-L662 PolarHBondContact O-N 2.95Å |
| 663 | L | 67.6 | Low | 73.2 | Confident | 3 Ų | 3 | 70.2 Ų | 70.2 | 2% | 0.016 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -76.4 | -27.5 | 178.2 | -71.7 | 157.4 | 0 | 0 | 0 | 111.9 | Y660 E661 C665 S666 M672 F676 | Y660-L663 HydrophobicContact CD2-CD1 4.42Å; Y660-L663 WeakPolarHBondContact O-CB 3.38Å; Y660-L663 PolarHBondContact O-N 2.94Å; E661-L663 VanDerWaalsContact C-N 3.26Å; E661-L663 PolarHBondContact O-N 3.49Å; L663-C665 PolarHBondContact O-N 2.91Å; L663-S666 WeakPolarHBondContact O-CB 3.48Å; L663-S666 PolarHBondContact O-N 3.42Å; L663-S666 PolarHBondContact O-OG 3.14Å; L663-M672 HydrophobicContact CD2-CB 4.35Å; L663-M672 HydrophobicContact CD2-CE 3.89Å; L663-F676 HydrophobicContact CD1-CD1 3.9Å; L663-F676 HydrophobicContact CD1-CD2 4.48Å; L663-F676 HydrophobicContact CD1-CE1 4.18Å; L663-F676 HydrophobicContact CD1-CG 4.04Å |
| 664 | E | 67.1 | Low | 73.4 | Confident | 102 Ų | 102 | 74.2 Ų | 74.2 | 48% | 0.477 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -71.5 | -22.9 | 179.4 | -56.7 | -151.6 | 133.5 | 0 | 0 | 112.6 | Y660 E661 S666 T669 K673 | Y660-E664 HydrophobicContact CD1-CG 4.42Å; Y660-E664 HydrophobicContact CE1-CG 3.96Å; Y660-E664 VanDerWaalsContact CE1-OE1 3.24Å; Y660-E664 WeakPolarHBondContact CE1-OE1 3.49Å; Y660-E664 PolarHBondContact OH-OE1 3.44Å; E661-E664 PolarHBondContact O-N 3.22Å; E664-S666 PolarHBondContact O-N 3.17Å; E664-T669 WeakPolarHBondContact O-CG2 3.43Å; E664-K673 IonicContact OE1-NZ 3.98Å; E664-K673 PolarHBondContact OE1-NZ 3.07Å |
| 665 | C | 63.7 | Low | 73.6 | Confident | 30 Ų | 30 | 76.1 Ų | 76.1 | 20% | 0.203 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -4 | 175.1 | -60.7 | 0 | 0 | 0 | 0 | 113.8 | M622 L663 | M622-C665 HydrophobicContact CE-CB 4.06Å; L663-C665 PolarHBondContact O-N 2.91Å |
| 666 | S | 66.8 | Low | 73.7 | Confident | 6 Ų | 6 | 69.3 Ų | 69.3 | 4% | 0.042 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -85.2 | 138.8 | -177.6 | 67.6 | 0 | 0 | 0 | 0 | 112.5 | L663 E664 Y668 T669 | L663-S666 WeakPolarHBondContact O-CB 3.48Å; L663-S666 PolarHBondContact O-N 3.42Å; L663-S666 PolarHBondContact O-OG 3.14Å; E664-S666 PolarHBondContact O-N 3.17Å; S666-Y668 VanDerWaalsContact C-N 3.3Å; S666-Y668 PolarHBondContact O-N 3.35Å; S666-T669 WeakPolarHBondContact O-CG2 3.2Å; S666-T669 PolarHBondContact O-N 2.93Å |
| 667 | H | 62.3 | Low | 74.2 | Confident | 147 Ų | 147 | 71.7 Ų | 71.7 | 68% | 0.681 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -39.5 | -179.2 | -176.3 | -89.9 | 0 | 0 | 0 | 113.1 | T669 | H667-T669 PolarHBondContact O-N 3.45Š|
| 668 | Y | 74.6 | Confident | 74.7 | Confident | 134 Ų | 134 | 73.9 Ų | 73.9 | 53% | 0.525 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 59.1 | 175.1 | -59.1 | -71.1 | 0 | 0 | 0 | 111.2 | S666 V670 L671 M672 | S666-Y668 VanDerWaalsContact C-N 3.3Å; S666-Y668 PolarHBondContact O-N 3.35Å; Y668-V670 PolarHBondContact O-N 3.37Å; Y668-V670 VanDerWaalsContact O-N 3.14Å; Y668-L671 PolarHBondContact O-N 2.88Å; Y668-M672 PolarHBondContact O-N 3.39Å |
| 669 | T | 75.5 | Confident | 75.4 | Confident | 50 Ų | 50 | 68.2 Ų | 68.2 | 31% | 0.307 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -46.4 | -46.1 | -178.2 | 56.3 | 0 | 0 | 0 | 0 | 112.7 | E664 S666 H667 K673 | E664-T669 WeakPolarHBondContact O-CG2 3.43Å; S666-T669 WeakPolarHBondContact O-CG2 3.2Å; S666-T669 PolarHBondContact O-N 2.93Å; H667-T669 PolarHBondContact O-N 3.45Å; T669-K673 VanDerWaalsContact O-CB 3.31Å; T669-K673 WeakPolarHBondContact O-CB 3.23Å; T669-K673 WeakPolarHBondContact O-CG 3.4Å; T669-K673 PolarHBondContact O-N 3.25Å |
| 670 | V | 81.8 | Confident | 76.1 | Confident | 100 Ų | 100 | 66.6 Ų | 66.6 | 61% | 0.606 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65.5 | -46.8 | -179.2 | -179.1 | 0 | 0 | 0 | 0 | 111.5 | Y668 M672 K673 I674 | Y668-V670 PolarHBondContact O-N 3.37Å; Y668-V670 VanDerWaalsContact O-N 3.14Å; V670-M672 PolarHBondContact O-N 3.41Å; V670-K673 PolarHBondContact O-N 3.25Å; V670-I674 HydrophobicContact CG1-CD1 3.88Å; V670-I674 VanDerWaalsContact O-CG1 3.26Å; V670-I674 WeakPolarHBondContact O-CG1 3.35Å; V670-I674 PolarHBondContact O-N 3.14Å |
| 671 | L | 82 | Confident | 76.9 | Confident | 101 Ų | 101 | 65 Ų | 65 | 53% | 0.529 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 179.4 | -179.5 | 64.1 | 0 | 0 | 0 | 111.4 | Y668 I674 L675 | Y668-L671 PolarHBondContact O-N 2.88Å; L671-I674 PolarHBondContact O-N 2.81Å; L671-L675 WeakPolarHBondContact O-CB 3.39Å; L671-L675 PolarHBondContact O-N 3.12Å |
| 672 | M | 77.8 | Confident | 77.6 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.4 | -40.2 | 178.2 | -77.2 | -63.1 | -70.9 | 0 | 0 | 112.2 | K611 V614 F615 L663 Y668 V670 I674 L675 F676 | K611-M672 HydrophobicContact CD-CE 4.2Å; K611-M672 HydrophobicContact CG-CE 4.05Å; V614-M672 HydrophobicContact CB-SD 4.05Å; V614-M672 HydrophobicContact CG1-CG 3.97Å; V614-M672 HydrophobicContact CG1-SD 3.65Å; V614-M672 HydrophobicContact CG2-SD 4.36Å; F615-M672 HydrophobicContact CD2-CE 4.28Å; F615-M672 HydrophobicContact CE2-CE 4.2Å; L663-M672 HydrophobicContact CD2-CB 4.35Å; L663-M672 HydrophobicContact CD2-CE 3.89Å; Y668-M672 PolarHBondContact O-N 3.39Å; V670-M672 PolarHBondContact O-N 3.41Å; M672-I674 VanDerWaalsContact C-N 3.33Å; M672-L675 PolarHBondContact O-N 3.4Å; M672-L675 HydrophobicContact SD-CD2 4.41Å; M672-F676 WeakPolarHBondContact O-CB 3.25Å; M672-F676 PolarHBondContact O-N 3.5Å |
| 673 | K | 83.6 | Confident | 78.4 | Confident | 57 Ų | 57 | 58.7 Ų | 58.7 | 25% | 0.248 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 172.4 | -73.8 | 173.4 | -175.8 | -169.3 | 0 | 110.6 | Y660 E664 T669 V670 F676 I677 | Y660-K673 WeakPolarHBondContact OH-CE 3.46Å; Y660-K673 PolarHBondContact OH-NZ 3.39Å; E664-K673 IonicContact OE1-NZ 3.98Å; E664-K673 PolarHBondContact OE1-NZ 3.07Å; T669-K673 VanDerWaalsContact O-CB 3.31Å; T669-K673 WeakPolarHBondContact O-CB 3.23Å; T669-K673 WeakPolarHBondContact O-CG 3.4Å; T669-K673 PolarHBondContact O-N 3.25Å; V670-K673 PolarHBondContact O-N 3.25Å; K673-F676 PolarHBondContact O-N 3.05Å; K673-I677 WeakPolarHBondContact O-CB 2.95Å; K673-I677 WeakPolarHBondContact O-CD1 3.36Å; K673-I677 WeakPolarHBondContact O-CG1 3.47Å; K673-I677 PolarHBondContact O-N 3.41Å |
| 674 | I | 84.9 | Confident | 78.9 | Confident | 88 Ų | 88 | 59.6 Ų | 59.6 | 45% | 0.451 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.9 | -50.6 | 175.6 | -68.1 | 166.8 | 0 | 0 | 0 | 111.6 | V670 L671 M672 F676 I677 I678 | V670-I674 HydrophobicContact CG1-CD1 3.88Å; V670-I674 VanDerWaalsContact O-CG1 3.26Å; V670-I674 WeakPolarHBondContact O-CG1 3.35Å; V670-I674 PolarHBondContact O-N 3.14Å; L671-I674 PolarHBondContact O-N 2.81Å; M672-I674 VanDerWaalsContact C-N 3.33Å; I674-F676 VanDerWaalsContact C-N 3.25Å; I674-F676 PolarHBondContact O-N 3.31Å; I674-I677 PolarHBondContact O-N 2.83Å; I674-I678 HydrophobicContact CG2-CD1 3.89Å; I674-I678 HydrophobicContact CG2-CG1 4.5Å; I674-I678 WeakPolarHBondContact O-CG1 3.46Å; I674-I678 PolarHBondContact O-N 3.32Å |
| 675 | L | 83.3 | Confident | 79.6 | Confident | 47 Ų | 47 | 59 Ų | 59 | 25% | 0.246 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.4 | -39 | 178.8 | -171.1 | 80.8 | 0 | 0 | 0 | 111.3 | F607 K611 L671 M672 I678 Y679 | F607-L675 HydrophobicContact CD1-CD1 4.29Å; F607-L675 HydrophobicContact CD1-CG 4.33Å; F607-L675 HydrophobicContact CE1-CD1 4.18Å; F607-L675 HydrophobicContact CE1-CG 4.46Å; K611-L675 HydrophobicContact CG-CD2 4.06Å; L671-L675 WeakPolarHBondContact O-CB 3.39Å; L671-L675 PolarHBondContact O-N 3.12Å; M672-L675 PolarHBondContact O-N 3.4Å; M672-L675 HydrophobicContact SD-CD2 4.41Å; L675-I678 PolarHBondContact O-N 3.12Å; L675-Y679 WeakPolarHBondContact O-CB 3.3Å; L675-Y679 PolarHBondContact O-N 3.32Å |
| 676 | F | 82.1 | Confident | 80.4 | Confident | 12 Ų | 12 | 63.2 Ų | 63.2 | 5% | 0.053 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.2 | -40.1 | 176.9 | -175.8 | -115.1 | 0 | 0 | 0 | 112.4 | Y658 L663 M672 K673 I674 Y679 L680 | Y658-F676 HydrophobicContact CD1-CZ 4.33Å; Y658-F676 HydrophobicContact CD2-CE1 4.19Å; Y658-F676 HydrophobicContact CD2-CZ 4.02Å; Y658-F676 HydrophobicContact CG-CE1 4.36Å; Y658-F676 AromaticContact CG-CZ 3.75Å; Y658-F676 HydrophobicContact CG-CZ 3.75Å; L663-F676 HydrophobicContact CD1-CD1 3.9Å; L663-F676 HydrophobicContact CD1-CD2 4.48Å; L663-F676 HydrophobicContact CD1-CE1 4.18Å; L663-F676 HydrophobicContact CD1-CG 4.04Å; M672-F676 WeakPolarHBondContact O-CB 3.25Å; M672-F676 PolarHBondContact O-N 3.5Å; K673-F676 PolarHBondContact O-N 3.05Å; I674-F676 VanDerWaalsContact C-N 3.25Å; I674-F676 PolarHBondContact O-N 3.31Å; F676-Y679 HydrophobicContact CD2-CD1 4.26Å; F676-Y679 HydrophobicContact CE2-CD1 4.25Å; F676-Y679 WeakPolarHBondContact O-CB 3.33Å; F676-Y679 PolarHBondContact O-N 3.37Å; F676-L680 HydrophobicContact CD1-CD1 3.9Å; F676-L680 HydrophobicContact CD1-CG 4.27Å; F676-L680 HydrophobicContact CE1-CD1 3.44Å; F676-L680 VanDerWaalsContact CE1-CD1 3.44Å; F676-L680 HydrophobicContact CE1-CD2 4.34Å; F676-L680 HydrophobicContact CE1-CG 3.91Å; F676-L680 HydrophobicContact CE2-CD2 4.2Å; F676-L680 HydrophobicContact CE2-CG 4.18Å; F676-L680 HydrophobicContact CZ-CD1 3.83Å; F676-L680 HydrophobicContact CZ-CD2 3.84Å; F676-L680 HydrophobicContact CZ-CG 3.85Å; F676-L680 WeakPolarHBondContact O-CB 3.47Å; F676-L680 WeakPolarHBondContact O-CG 3.36Å; F676-L680 PolarHBondContact O-N 3.15Å |
| 677 | I | 85.3 | Confident | 81 | Confident | 101 Ų | 101 | 63.4 Ų | 63.4 | 52% | 0.518 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 172.6 | -70.1 | 162.6 | 0 | 0 | 0 | 110.5 | K673 I674 Y679 L680 V681 | K673-I677 WeakPolarHBondContact O-CB 2.95Å; K673-I677 WeakPolarHBondContact O-CD1 3.36Å; K673-I677 WeakPolarHBondContact O-CG1 3.47Å; K673-I677 PolarHBondContact O-N 3.41Å; I674-I677 PolarHBondContact O-N 2.83Å; I677-Y679 VanDerWaalsContact C-N 3.32Å; I677-Y679 PolarHBondContact O-N 3.39Å; I677-L680 PolarHBondContact O-N 3.32Å; I677-V681 WeakPolarHBondContact O-CG2 3.46Å; I677-V681 PolarHBondContact O-N 2.84Å |
| 678 | I | 86.5 | Confident | 81.8 | Confident | 77 Ų | 77 | 58.9 Ų | 58.9 | 40% | 0.395 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 175.9 | -67.3 | 168.6 | 0 | 0 | 0 | 110.4 | F607 I674 L675 V681 I682 | F607-I678 HydrophobicContact CE1-CG2 4.29Å; F607-I678 HydrophobicContact CZ-CG2 4.08Å; I674-I678 HydrophobicContact CG2-CD1 3.89Å; I674-I678 HydrophobicContact CG2-CG1 4.5Å; I674-I678 WeakPolarHBondContact O-CG1 3.46Å; I674-I678 PolarHBondContact O-N 3.32Å; L675-I678 PolarHBondContact O-N 3.12Å; I678-V681 PolarHBondContact O-N 2.87Å; I678-I682 HydrophobicContact CG2-CD1 3.62Å; I678-I682 HydrophobicContact CG2-CG1 4.38Å; I678-I682 WeakPolarHBondContact O-CB 3.5Å; I678-I682 WeakPolarHBondContact O-CG1 3.45Å; I678-I682 PolarHBondContact O-N 3.02Å |
| 679 | Y | 85.7 | Confident | 82.1 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.1 | -47.1 | 174.3 | 173.3 | -100.6 | 0 | 0 | 0 | 112 | L604 F607 L650 A653 L675 F676 I677 V681 I682 M683 P684 | L604-Y679 HydrophobicContact CD2-CE2 4.36Å; F607-Y679 HydrophobicContact CB-CD2 4.06Å; F607-Y679 HydrophobicContact CD1-CD2 4.3Å; F607-Y679 AromaticContact CD2-CD2 3.68Å; F607-Y679 HydrophobicContact CD2-CD2 3.68Å; F607-Y679 HydrophobicContact CD2-CE2 4.36Å; F607-Y679 HydrophobicContact CE2-CD2 4.19Å; F607-Y679 AromaticContact CG-CD2 3.76Å; F607-Y679 HydrophobicContact CG-CD2 3.76Å; L650-Y679 HydrophobicContact CD2-CD1 4.37Å; L650-Y679 HydrophobicContact CD2-CD2 4.43Å; L650-Y679 HydrophobicContact CD2-CE1 4.1Å; L650-Y679 HydrophobicContact CD2-CE2 4.17Å; L650-Y679 PolarHBondContact O-OH 2.93Å; A653-Y679 HydrophobicContact CB-CE1 4.16Å; L675-Y679 WeakPolarHBondContact O-CB 3.3Å; L675-Y679 PolarHBondContact O-N 3.32Å; F676-Y679 HydrophobicContact CD2-CD1 4.26Å; F676-Y679 HydrophobicContact CE2-CD1 4.25Å; F676-Y679 WeakPolarHBondContact O-CB 3.33Å; F676-Y679 PolarHBondContact O-N 3.37Å; I677-Y679 VanDerWaalsContact C-N 3.32Å; I677-Y679 PolarHBondContact O-N 3.39Å; Y679-V681 VanDerWaalsContact C-N 3.32Å; Y679-V681 PolarHBondContact O-N 3.42Å; Y679-I682 PolarHBondContact O-N 3.4Å; Y679-M683 HydrophobicContact CD2-CB 3.89Å; Y679-M683 HydrophobicContact CD2-CG 4.45Å; Y679-M683 HydrophobicContact CE2-CB 3.55Å; Y679-M683 HydrophobicContact CE2-CG 3.66Å; Y679-M683 WeakPolarHBondContact O-CB 2.98Å; Y679-M683 PolarHBondContact O-N 3.48Å; Y679-P684 WeakPolarHBondContact O-CD 3.35Å |
| 680 | L | 84.1 | Confident | 82.4 | Confident | 43 Ų | 43 | 59.3 Ų | 59.3 | 23% | 0.225 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.5 | -38.4 | 179.5 | -76.4 | -179.9 | 0 | 0 | 0 | 112.5 | F676 I677 P684 I685 | F676-L680 HydrophobicContact CD1-CD1 3.9Å; F676-L680 HydrophobicContact CD1-CG 4.27Å; F676-L680 HydrophobicContact CE1-CD1 3.44Å; F676-L680 VanDerWaalsContact CE1-CD1 3.44Å; F676-L680 HydrophobicContact CE1-CD2 4.34Å; F676-L680 HydrophobicContact CE1-CG 3.91Å; F676-L680 HydrophobicContact CE2-CD2 4.2Å; F676-L680 HydrophobicContact CE2-CG 4.18Å; F676-L680 HydrophobicContact CZ-CD1 3.83Å; F676-L680 HydrophobicContact CZ-CD2 3.84Å; F676-L680 HydrophobicContact CZ-CG 3.85Å; F676-L680 WeakPolarHBondContact O-CB 3.47Å; F676-L680 WeakPolarHBondContact O-CG 3.36Å; F676-L680 PolarHBondContact O-N 3.15Å; I677-L680 PolarHBondContact O-N 3.32Å; L680-P684 HydrophobicContact CD2-CG 3.92Å; L680-P684 VanDerWaalsContact O-CD 3.31Å; L680-P684 WeakPolarHBondContact O-CD 3.15Å; L680-I685 WeakPolarHBondContact O-CG1 3.3Å; L680-I685 PolarHBondContact O-N 2.84Å; L680-I685 VanDerWaalsContact O-N 3.16Å |
| 681 | V | 84.8 | Confident | 82.5 | Confident | 72 Ų | 72 | 55.8 Ų | 55.8 | 44% | 0.436 | 29% | 0.288 | S | S | . | . | I | π-helix | trans | -70.1 | -47.9 | 176.4 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | I677 I678 Y679 I685 M686 | I677-V681 WeakPolarHBondContact O-CG2 3.46Å; I677-V681 PolarHBondContact O-N 2.84Å; I678-V681 PolarHBondContact O-N 2.87Å; Y679-V681 VanDerWaalsContact C-N 3.32Å; Y679-V681 PolarHBondContact O-N 3.42Å; V681-I685 WeakPolarHBondContact O-CB 3.35Å; V681-M686 WeakPolarHBondContact O-CB 2.85Å; V681-M686 VanDerWaalsContact O-CG 3.24Å; V681-M686 WeakPolarHBondContact O-CG 3.47Å; V681-M686 PolarHBondContact O-N 3Å |
| 682 | I | 83.4 | Confident | 82.5 | Confident | 54 Ų | 54 | 55.8 Ų | 55.8 | 28% | 0.277 | 29% | 0.288 | S | S | . | . | I | π-helix | trans | -75.4 | -47.9 | -173.8 | -66.1 | 175.5 | 0 | 0 | 0 | 111.5 | F603 F607 I678 Y679 M686 L687 | F603-I682 HydrophobicContact CD1-CG2 3.93Å; F603-I682 HydrophobicContact CE1-CG2 3.81Å; F603-I682 HydrophobicContact CE2-CG2 4.43Å; F603-I682 HydrophobicContact CG-CG2 4.31Å; F603-I682 HydrophobicContact CZ-CG2 4.08Å; F607-I682 HydrophobicContact CZ-CD1 4.33Å; I678-I682 HydrophobicContact CG2-CD1 3.62Å; I678-I682 HydrophobicContact CG2-CG1 4.38Å; I678-I682 WeakPolarHBondContact O-CB 3.5Å; I678-I682 WeakPolarHBondContact O-CG1 3.45Å; I678-I682 PolarHBondContact O-N 3.02Å; Y679-I682 PolarHBondContact O-N 3.4Å; I682-M686 WeakPolarHBondContact O-CB 3.13Å; I682-L687 WeakPolarHBondContact O-CG 3.13Å; I682-L687 PolarHBondContact O-N 3.23Å |
| 683 | M | 83.3 | Confident | 82.8 | Confident | 7 Ų | 7 | 58.3 Ų | 58.3 | 3% | 0.034 | 31% | 0.309 | C | S | . | . | I | π-helix | trans | -89.1 | -67.3 | -166.9 | -165.8 | -63.8 | -173 | 0 | 0 | 111.7 | L604 A654 Y679 L687 | L604-M683 HydrophobicContact CD1-CE 3.8Å; L604-M683 HydrophobicContact CD2-CE 3.79Å; L604-M683 HydrophobicContact CG-CE 3.75Å; A654-M683 HydrophobicContact CB-CE 3.37Å; A654-M683 HydrophobicContact CB-SD 3.35Å; A654-M683 WeakPolarHBondContact CB-SD 3.18Å; Y679-M683 HydrophobicContact CD2-CB 3.89Å; Y679-M683 HydrophobicContact CD2-CG 4.45Å; Y679-M683 HydrophobicContact CE2-CB 3.55Å; Y679-M683 HydrophobicContact CE2-CG 3.66Å; Y679-M683 WeakPolarHBondContact O-CB 2.98Å; Y679-M683 PolarHBondContact O-N 3.48Å; M683-L687 HydrophobicContact CB-CD1 4.43Å; M683-L687 HydrophobicContact CG-CD1 4.14Å; M683-L687 VanDerWaalsContact O-CB 3.28Å; M683-L687 WeakPolarHBondContact O-CB 3.49Å; M683-L687 PolarHBondContact O-N 2.84Å |
| 684 | P | 78.1 | Confident | 82.7 | Confident | 21 Ų | 21 | 57.8 Ų | 57.8 | 14% | 0.136 | 31% | 0.308 | C | S | . | . | I | π-helix | trans | -62.4 | -49.6 | 175.2 | -14.3 | 19.9 | 0 | 0 | 0 | 114 | Y679 L680 I688 | Y679-P684 WeakPolarHBondContact O-CD 3.35Å; L680-P684 HydrophobicContact CD2-CG 3.92Å; L680-P684 VanDerWaalsContact O-CD 3.31Å; L680-P684 WeakPolarHBondContact O-CD 3.15Å; P684-I688 HydrophobicContact CB-CD1 4.26Å; P684-I688 WeakPolarHBondContact O-CB 3.39Å; P684-I688 WeakPolarHBondContact O-CD1 2.96Å; P684-I688 WeakPolarHBondContact O-CG1 3.37Å; P684-I688 PolarHBondContact O-N 3.46Å |
| 685 | I | 81.7 | Confident | 82.6 | Confident | 89 Ų | 89 | 56 Ų | 56 | 46% | 0.456 | 30% | 0.299 | S | S | . | . | I | π-helix | trans | -77.5 | -54.8 | -169.7 | -63.9 | 169.2 | 0 | 0 | 0 | 111.1 | L680 V681 N689 | L680-I685 WeakPolarHBondContact O-CG1 3.3Å; L680-I685 PolarHBondContact O-N 2.84Å; L680-I685 VanDerWaalsContact O-N 3.16Å; V681-I685 WeakPolarHBondContact O-CB 3.35Å; I685-N689 WeakPolarHBondContact O-CB 3.21Å; I685-N689 PolarHBondContact O-N 3.07Å; I685-N689 PolarHBondContact O-ND2 3.4Å |
| 686 | M | 80.2 | Confident | 82.5 | Confident | 120 Ų | 120 | 55.4 Ų | 55.4 | 59% | 0.591 | 30% | 0.304 | S | S | * | . | I | π-helix | trans | -75 | -47.6 | -175.1 | -72.9 | -69.8 | -65 | 0 | 0 | 112.7 | V681 I682 M690 | V681-M686 WeakPolarHBondContact O-CB 2.85Å; V681-M686 VanDerWaalsContact O-CG 3.24Å; V681-M686 WeakPolarHBondContact O-CG 3.47Å; V681-M686 PolarHBondContact O-N 3Å; I682-M686 WeakPolarHBondContact O-CB 3.13Å; M686-M690 WeakPolarHBondContact O-CB 3.42Å; M686-M690 PolarHBondContact O-N 3.04Å |
| 687 | L | 80.1 | Confident | 82.6 | Confident | 10 Ų | 10 | 60.2 Ų | 60.2 | 5% | 0.052 | 33% | 0.33 | C | S | . | . | I | π-helix | trans | -73.3 | -37.3 | -175.8 | -61.4 | 171.1 | 0 | 0 | 0 | 112.8 | F596 L599 F603 I682 M683 M690 L691 | F596-L687 HydrophobicContact CD2-CB 4.48Å; F596-L687 HydrophobicContact CE2-CB 3.78Å; F596-L687 WeakPolarHBondContact CE2-O 3.28Å; L599-L687 HydrophobicContact CD2-CD2 3.5Å; L599-L687 HydrophobicContact CG-CD2 3.99Å; F603-L687 HydrophobicContact CD2-CD1 3.69Å; F603-L687 HydrophobicContact CD2-CD2 4.48Å; F603-L687 HydrophobicContact CE2-CD1 4.29Å; F603-L687 HydrophobicContact CE2-CD2 4.32Å; F603-L687 HydrophobicContact CG-CD1 4.41Å; I682-L687 WeakPolarHBondContact O-CG 3.13Å; I682-L687 PolarHBondContact O-N 3.23Å; M683-L687 HydrophobicContact CB-CD1 4.43Å; M683-L687 HydrophobicContact CG-CD1 4.14Å; M683-L687 VanDerWaalsContact O-CB 3.28Å; M683-L687 WeakPolarHBondContact O-CB 3.49Å; M683-L687 PolarHBondContact O-N 2.84Å; L687-M690 PolarHBondContact O-N 3Å; L687-L691 WeakPolarHBondContact O-CB 3.44Å; L687-L691 PolarHBondContact O-N 3.24Å |
| 688 | I | 79 | Confident | 82.3 | Confident | 52 Ų | 52 | 56.7 Ų | 56.7 | 27% | 0.267 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.6 | -41.1 | 176.9 | -57.4 | 176.9 | 0 | 0 | 0 | 110.5 | P684 M690 L691 L692 | P684-I688 HydrophobicContact CB-CD1 4.26Å; P684-I688 WeakPolarHBondContact O-CB 3.39Å; P684-I688 WeakPolarHBondContact O-CD1 2.96Å; P684-I688 WeakPolarHBondContact O-CG1 3.37Å; P684-I688 PolarHBondContact O-N 3.46Å; I688-M690 VanDerWaalsContact C-N 3.29Å; I688-M690 PolarHBondContact O-N 3.18Å; I688-L691 WeakPolarHBondContact O-CB 3.31Å; I688-L691 PolarHBondContact O-N 3.01Å; I688-L692 HydrophobicContact CG2-CD1 4.25Å; I688-L692 HydrophobicContact CG2-CG 4.4Å; I688-L692 WeakPolarHBondContact O-CG 3.42Å; I688-L692 PolarHBondContact O-N 3.19Å |
| 689 | N | 81.3 | Confident | 82 | Confident | 97 Ų | 97 | 57.6 Ų | 57.6 | 52% | 0.519 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.9 | -36.8 | 175.3 | -72.5 | -23.7 | 0 | 0 | 0 | 111.8 | I685 A693 | I685-N689 WeakPolarHBondContact O-CB 3.21Å; I685-N689 PolarHBondContact O-N 3.07Å; I685-N689 PolarHBondContact O-ND2 3.4Å; N689-A693 WeakPolarHBondContact O-CB 3.26Å; N689-A693 PolarHBondContact O-N 2.81Å; N689-A693 VanDerWaalsContact O-N 3.13Å |
| 690 | M | 82 | Confident | 81.7 | Confident | 95 Ų | 95 | 60.5 Ų | 60.5 | 47% | 0.468 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.9 | -39.7 | 172.4 | -172.1 | -176.3 | 169.6 | 0 | 0 | 112.1 | M686 L687 I688 A693 M694 | M686-M690 WeakPolarHBondContact O-CB 3.42Å; M686-M690 PolarHBondContact O-N 3.04Å; L687-M690 PolarHBondContact O-N 3Å; I688-M690 VanDerWaalsContact C-N 3.29Å; I688-M690 PolarHBondContact O-N 3.18Å; M690-A693 PolarHBondContact O-N 3.45Å; M690-M694 HydrophobicContact CE-CE 4.21Å; M690-M694 HydrophobicContact CE-SD 3.84Å; M690-M694 HydrophobicContact CG-CE 4.1Å; M690-M694 HydrophobicContact CG-SD 4.46Å; M690-M694 WeakPolarHBondContact O-CG 3.13Å; M690-M694 PolarHBondContact O-N 3.48Å |
| 691 | L | 83.8 | Confident | 81.6 | Confident | 26 Ų | 26 | 61.6 Ų | 61.6 | 14% | 0.136 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.6 | -49 | 176 | 177.7 | 63.9 | 0 | 0 | 0 | 111.2 | F596 L687 I688 A693 M694 M695 | F596-L691 HydrophobicContact CB-CD1 3.85Å; F596-L691 HydrophobicContact CD1-CD1 4.1Å; F596-L691 HydrophobicContact CD1-CD2 4.05Å; F596-L691 HydrophobicContact CD2-CB 3.74Å; F596-L691 HydrophobicContact CD2-CD1 4.03Å; F596-L691 HydrophobicContact CD2-CD2 4.24Å; F596-L691 HydrophobicContact CD2-CG 4.2Å; F596-L691 HydrophobicContact CE1-CD2 3.86Å; F596-L691 HydrophobicContact CE2-CB 3.79Å; F596-L691 HydrophobicContact CE2-CD2 4.01Å; F596-L691 HydrophobicContact CE2-CG 4.34Å; F596-L691 HydrophobicContact CG-CB 4.33Å; F596-L691 HydrophobicContact CG-CD1 3.73Å; F596-L691 HydrophobicContact CG-CD2 4.25Å; F596-L691 HydrophobicContact CG-CG 4.3Å; F596-L691 HydrophobicContact CZ-CB 4.46Å; F596-L691 HydrophobicContact CZ-CD2 3.84Å; L687-L691 WeakPolarHBondContact O-CB 3.44Å; L687-L691 PolarHBondContact O-N 3.24Å; I688-L691 WeakPolarHBondContact O-CB 3.31Å; I688-L691 PolarHBondContact O-N 3.01Å; L691-A693 VanDerWaalsContact C-N 3.26Å; L691-A693 PolarHBondContact O-N 3.1Å; L691-M694 PolarHBondContact O-N 2.89Å; L691-M695 HydrophobicContact CD1-CE 4.39Å; L691-M695 HydrophobicContact CD1-CG 3.96Å; L691-M695 HydrophobicContact CD1-SD 3.92Å; L691-M695 HydrophobicContact CD2-CE 4.29Å; L691-M695 HydrophobicContact CG-CE 3.8Å; L691-M695 HydrophobicContact CG-CG 4.32Å; L691-M695 HydrophobicContact CG-SD 3.98Å; L691-M695 WeakPolarHBondContact O-CB 3.48Å; L691-M695 VanDerWaalsContact O-CG 3.27Å; L691-M695 WeakPolarHBondContact O-CG 2.98Å; L691-M695 PolarHBondContact O-N 3.07Å |
| 692 | L | 82.1 | Confident | 81.3 | Confident | 101 Ų | 101 | 59.2 Ų | 59.2 | 53% | 0.529 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.4 | -39.3 | 176.6 | -70.3 | 171.9 | 0 | 0 | 0 | 111.6 | I688 M695 G696 | I688-L692 HydrophobicContact CG2-CD1 4.25Å; I688-L692 HydrophobicContact CG2-CG 4.4Å; I688-L692 WeakPolarHBondContact O-CG 3.42Å; I688-L692 PolarHBondContact O-N 3.19Å; L692-M695 HydrophobicContact CD2-CE 3.87Å; L692-G696 PolarHBondContact O-N 3.34Å |
| 693 | A | 83 | Confident | 81.2 | Confident | 55 Ų | 55 | 59.3 Ų | 59.3 | 46% | 0.455 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.4 | -45 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | N689 M690 L691 G696 N697 | N689-A693 WeakPolarHBondContact O-CB 3.26Å; N689-A693 PolarHBondContact O-N 2.81Å; N689-A693 VanDerWaalsContact O-N 3.13Å; M690-A693 PolarHBondContact O-N 3.45Å; L691-A693 VanDerWaalsContact C-N 3.26Å; L691-A693 PolarHBondContact O-N 3.1Å; A693-G696 PolarHBondContact O-N 3.32Å; A693-N697 PolarHBondContact O-N 3.23Å; A693-N697 VanDerWaalsContact O-N 3.1Å |
| 694 | M | 82.2 | Confident | 81 | Confident | 45 Ų | 45 | 65 Ų | 65 | 22% | 0.222 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.5 | -49.9 | 175.6 | -71 | -174.6 | -62.7 | 0 | 0 | 110.9 | F596 M690 L691 G696 N697 T698 | F596-M694 HydrophobicContact CB-CE 4.29Å; M690-M694 HydrophobicContact CE-CE 4.21Å; M690-M694 HydrophobicContact CE-SD 3.84Å; M690-M694 HydrophobicContact CG-CE 4.1Å; M690-M694 HydrophobicContact CG-SD 4.46Å; M690-M694 WeakPolarHBondContact O-CG 3.13Å; M690-M694 PolarHBondContact O-N 3.48Å; L691-M694 PolarHBondContact O-N 2.89Å; M694-G696 VanDerWaalsContact C-N 3.3Å; M694-G696 PolarHBondContact O-N 3.23Å; M694-N697 PolarHBondContact O-N 2.86Å; M694-T698 PolarHBondContact O-N 2.98Å; M694-T698 PolarHBondContact O-OG1 3.33Å; M694-T698 VanDerWaalsContact O-OG1 3.1Å |
| 695 | M | 81.7 | Confident | 81.1 | Confident | 52 Ų | 52 | 70 Ų | 70 | 26% | 0.256 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.7 | -37.7 | 177.8 | -68.9 | -171.4 | -50.2 | 0 | 0 | 112.4 | M588 L691 L692 T698 Y699 | M588-M695 HydrophobicContact CE-CB 3.97Å; M588-M695 HydrophobicContact CE-CG 4.24Å; M588-M695 HydrophobicContact CG-CG 4.14Å; M588-M695 HydrophobicContact SD-CB 4.07Å; M588-M695 HydrophobicContact SD-CG 3.71Å; M588-M695 HydrophobicContact SD-SD 3.72Å; L691-M695 HydrophobicContact CD1-CE 4.39Å; L691-M695 HydrophobicContact CD1-CG 3.96Å; L691-M695 HydrophobicContact CD1-SD 3.92Å; L691-M695 HydrophobicContact CD2-CE 4.29Å; L691-M695 HydrophobicContact CG-CE 3.8Å; L691-M695 HydrophobicContact CG-CG 4.32Å; L691-M695 HydrophobicContact CG-SD 3.98Å; L691-M695 WeakPolarHBondContact O-CB 3.48Å; L691-M695 VanDerWaalsContact O-CG 3.27Å; L691-M695 WeakPolarHBondContact O-CG 2.98Å; L691-M695 PolarHBondContact O-N 3.07Å; L692-M695 HydrophobicContact CD2-CE 3.87Å; M695-T698 WeakPolarHBondContact CA-OG1 3.19Å; M695-T698 PolarHBondContact O-OG1 3.18Å; M695-Y699 WeakPolarHBondContact O-CB 3.33Å; M695-Y699 PolarHBondContact O-N 3.02Å |
| 696 | G | 82.1 | Confident | 80.8 | Confident | 34 Ų | 34 | 67.7 Ų | 67.7 | 35% | 0.351 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L692 A693 M694 T700 | L692-G696 PolarHBondContact O-N 3.34Å; A693-G696 PolarHBondContact O-N 3.32Å; M694-G696 VanDerWaalsContact C-N 3.3Å; M694-G696 PolarHBondContact O-N 3.23Å; G696-T700 WeakPolarHBondContact O-CG2 3.43Å; G696-T700 PolarHBondContact O-N 3.02Å; G696-T700 PolarHBondContact O-OG1 2.95Å |
| 697 | N | 84.8 | Confident | 80.7 | Confident | 112 Ų | 112 | 65.7 Ų | 65.7 | 60% | 0.599 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -70.7 | -37.8 | 177.8 | -73.3 | -14.9 | 0 | 0 | 0 | 112.4 | A693 M694 T700 T701 | A693-N697 PolarHBondContact O-N 3.23Å; A693-N697 VanDerWaalsContact O-N 3.1Å; M694-N697 PolarHBondContact O-N 2.86Å; N697-T700 PolarHBondContact O-N 3.17Å; N697-T700 PolarHBondContact O-OG1 2.98Å; N697-T701 WeakPolarHBondContact O-CG2 3.22Å; N697-T701 PolarHBondContact O-N 3.43Å; N697-T701 PolarHBondContact O-OG1 3.48Å |
| 698 | T | 79.1 | Confident | 80.7 | Confident | 27 Ų | 27 | 69.1 Ų | 69.1 | 17% | 0.166 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -74 | -37.9 | 178.3 | 55.2 | 0 | 0 | 0 | 0 | 113 | D592 M694 M695 T700 T701 I702 | D592-T698 WeakPolarHBondContact OD2-CB 3.18Å; D592-T698 WeakPolarHBondContact OD2-CG2 3.26Å; D592-T698 PolarHBondContact OD2-OG1 3.35Å; M694-T698 PolarHBondContact O-N 2.98Å; M694-T698 PolarHBondContact O-OG1 3.33Å; M694-T698 VanDerWaalsContact O-OG1 3.1Å; M695-T698 WeakPolarHBondContact CA-OG1 3.19Å; M695-T698 PolarHBondContact O-OG1 3.18Å; T698-T700 VanDerWaalsContact C-N 3.32Å; T698-T700 PolarHBondContact O-N 2.81Å; T698-T701 VanDerWaalsContact CA-OG1 3.31Å; T698-T701 WeakPolarHBondContact CA-OG1 3.45Å; T698-T701 PolarHBondContact O-N 3.33Å; T698-T701 PolarHBondContact O-OG1 2.94Å; T698-T701 VanDerWaalsContact O-OG1 3.07Å; T698-I702 WeakPolarHBondContact O-CB 3.39Å; T698-I702 WeakPolarHBondContact O-CD1 3.21Å; T698-I702 WeakPolarHBondContact O-CG1 3.34Å; T698-I702 PolarHBondContact O-N 3.36Å |
| 699 | Y | 79.4 | Confident | 80.7 | Confident | 97 Ų | 97 | 68.8 Ų | 68.8 | 38% | 0.38 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -54.3 | -48.5 | 169.5 | 179 | -95.8 | 0 | 0 | 0 | 111.5 | I584 M695 I703 | I584-Y699 HydrophobicContact CD1-CD2 4.31Å; I584-Y699 HydrophobicContact CD1-CE2 4.16Å; I584-Y699 HydrophobicContact CG2-CD2 3.94Å; M695-Y699 WeakPolarHBondContact O-CB 3.33Å; M695-Y699 PolarHBondContact O-N 3.02Å; Y699-I703 HydrophobicContact CD1-CD1 3.67Å; Y699-I703 HydrophobicContact CD2-CD1 3.98Å; Y699-I703 HydrophobicContact CE1-CD1 3.2Å; Y699-I703 HydrophobicContact CE2-CD1 3.54Å; Y699-I703 HydrophobicContact CG-CD1 4.03Å; Y699-I703 WeakPolarHBondContact O-CB 3.21Å; Y699-I703 WeakPolarHBondContact O-CD1 3.42Å; Y699-I703 VanDerWaalsContact O-CG1 3.27Å; Y699-I703 WeakPolarHBondContact O-CG1 3.39Å; Y699-I703 PolarHBondContact O-N 2.85Å; Y699-I703 VanDerWaalsContact O-N 3.13Å; Y699-I703 WeakPolarHBondContact OH-CD1 3.48Å |
| 700 | T | 80.4 | Confident | 80.5 | Confident | 62 Ų | 62 | 71.2 Ų | 71.2 | 38% | 0.38 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -72 | -31.8 | -177.6 | 56.5 | 0 | 0 | 0 | 0 | 114.1 | G696 N697 T698 K704 | G696-T700 WeakPolarHBondContact O-CG2 3.43Å; G696-T700 PolarHBondContact O-N 3.02Å; G696-T700 PolarHBondContact O-OG1 2.95Å; N697-T700 PolarHBondContact O-N 3.17Å; N697-T700 PolarHBondContact O-OG1 2.98Å; T698-T700 VanDerWaalsContact C-N 3.32Å; T698-T700 PolarHBondContact O-N 2.81Å; T700-K704 WeakPolarHBondContact O-CD 3.12Å; T700-K704 VanDerWaalsContact O-CG 3.23Å; T700-K704 WeakPolarHBondContact O-CG 3.49Å; T700-K704 PolarHBondContact O-N 2.99Å |
| 701 | T | 81.9 | Confident | 80.6 | Confident | 66 Ų | 66 | 68.8 Ų | 68.8 | 41% | 0.405 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -74.7 | -46.8 | 176.5 | 46.7 | 0 | 0 | 0 | 0 | 111.6 | N697 T698 I703 K704 E705 | N697-T701 WeakPolarHBondContact O-CG2 3.22Å; N697-T701 PolarHBondContact O-N 3.43Å; N697-T701 PolarHBondContact O-OG1 3.48Å; T698-T701 VanDerWaalsContact CA-OG1 3.31Å; T698-T701 WeakPolarHBondContact CA-OG1 3.45Å; T698-T701 PolarHBondContact O-N 3.33Å; T698-T701 PolarHBondContact O-OG1 2.94Å; T698-T701 VanDerWaalsContact O-OG1 3.07Å; T701-I703 VanDerWaalsContact C-N 3.34Å; T701-I703 PolarHBondContact O-N 3.38Å; T701-K704 PolarHBondContact O-N 2.94Å; T701-E705 WeakPolarHBondContact O-CG 3.48Å; T701-E705 PolarHBondContact O-N 2.99Å |
| 702 | I | 78.1 | Confident | 80.6 | Confident | 21 Ų | 21 | 69 Ų | 69 | 11% | 0.108 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 179.1 | -64.1 | 163.9 | 0 | 0 | 0 | 110.9 | I584 N587 T698 K704 E705 A706 | I584-I702 HydrophobicContact CG1-CB 4.31Å; I584-I702 HydrophobicContact CG1-CG2 3.66Å; N587-I702 HydrophobicContact CB-CD1 3.79Å; T698-I702 WeakPolarHBondContact O-CB 3.39Å; T698-I702 WeakPolarHBondContact O-CD1 3.21Å; T698-I702 WeakPolarHBondContact O-CG1 3.34Å; T698-I702 PolarHBondContact O-N 3.36Å; I702-K704 VanDerWaalsContact C-N 3.35Å; I702-K704 PolarHBondContact O-N 3.47Å; I702-E705 PolarHBondContact O-N 2.88Å; I702-A706 WeakPolarHBondContact O-CB 3.33Å; I702-A706 PolarHBondContact O-N 3.36Å |
| 703 | I | 80.8 | Confident | 80.5 | Confident | 56 Ų | 56 | 70 Ų | 70 | 29% | 0.287 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 176.9 | -74.2 | 171.5 | 0 | 0 | 0 | 111.6 | I584 Y699 T701 E705 A706 E707 | I584-I703 HydrophobicContact CD1-CD1 3.97Å; I584-I703 HydrophobicContact CD1-CG1 3.53Å; Y699-I703 HydrophobicContact CD1-CD1 3.67Å; Y699-I703 HydrophobicContact CD2-CD1 3.98Å; Y699-I703 HydrophobicContact CE1-CD1 3.2Å; Y699-I703 HydrophobicContact CE2-CD1 3.54Å; Y699-I703 HydrophobicContact CG-CD1 4.03Å; Y699-I703 WeakPolarHBondContact O-CB 3.21Å; Y699-I703 WeakPolarHBondContact O-CD1 3.42Å; Y699-I703 VanDerWaalsContact O-CG1 3.27Å; Y699-I703 WeakPolarHBondContact O-CG1 3.39Å; Y699-I703 PolarHBondContact O-N 2.85Å; Y699-I703 VanDerWaalsContact O-N 3.13Å; Y699-I703 WeakPolarHBondContact OH-CD1 3.48Å; T701-I703 VanDerWaalsContact C-N 3.34Å; T701-I703 PolarHBondContact O-N 3.38Å; I703-E705 VanDerWaalsContact C-N 3.33Å; I703-E705 PolarHBondContact O-N 3.26Å; I703-A706 PolarHBondContact O-N 3.16Å; I703-E707 VanDerWaalsContact O-CB 3.32Å; I703-E707 WeakPolarHBondContact O-CB 3.27Å; I703-E707 PolarHBondContact O-N 3.07Å |
| 704 | K | 79.3 | Confident | 80.5 | Confident | 128 Ų | 128 | 68.8 Ų | 68.8 | 56% | 0.557 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64.7 | -39 | 178.5 | -73 | 171.7 | -176 | 174.7 | 0 | 111.8 | T700 T701 I702 K708 | T700-K704 WeakPolarHBondContact O-CD 3.12Å; T700-K704 VanDerWaalsContact O-CG 3.23Å; T700-K704 WeakPolarHBondContact O-CG 3.49Å; T700-K704 PolarHBondContact O-N 2.99Å; T701-K704 PolarHBondContact O-N 2.94Å; I702-K704 VanDerWaalsContact C-N 3.35Å; I702-K704 PolarHBondContact O-N 3.47Å; K704-K708 VanDerWaalsContact O-CG 3.31Å; K704-K708 WeakPolarHBondContact O-CG 3.36Å; K704-K708 PolarHBondContact O-N 3.44Å |
| 705 | E | 79.8 | Confident | 80.7 | Confident | 125 Ų | 125 | 66.7 Ų | 66.7 | 58% | 0.584 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -71.6 | -43.2 | 177.6 | -72.4 | 177.9 | -179.7 | 0 | 0 | 112.1 | T701 I702 I703 E707 K708 A709 | T701-E705 WeakPolarHBondContact O-CG 3.48Å; T701-E705 PolarHBondContact O-N 2.99Å; I702-E705 PolarHBondContact O-N 2.88Å; I703-E705 VanDerWaalsContact C-N 3.33Å; I703-E705 PolarHBondContact O-N 3.26Å; E705-E707 VanDerWaalsContact C-N 3.31Å; E705-E707 PolarHBondContact O-N 2.67Å; E705-K708 WeakPolarHBondContact O-CB 2.99Å; E705-K708 PolarHBondContact O-N 2.87Å; E705-A709 WeakPolarHBondContact O-CB 3.13Å; E705-A709 PolarHBondContact O-N 3.16Å |
| 706 | A | 75 | Confident | 80.9 | Confident | 40 Ų | 40 | 67.9 Ų | 67.9 | 33% | 0.331 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I702 I703 A709 W710 | I702-A706 WeakPolarHBondContact O-CB 3.33Å; I702-A706 PolarHBondContact O-N 3.36Å; I703-A706 PolarHBondContact O-N 3.16Å; A706-A709 PolarHBondContact O-N 3.39Å; A706-W710 VanDerWaalsContact O-CB 3.22Å; A706-W710 WeakPolarHBondContact O-CB 3.41Å; A706-W710 PolarHBondContact O-N 3.05Å |
| 707 | E | 78.8 | Confident | 80.9 | Confident | 79 Ų | 79 | 69.1 Ų | 69.1 | 37% | 0.369 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65 | -40.8 | 175.7 | -176.6 | 177.4 | -167.8 | 0 | 0 | 111.9 | I703 E705 R711 | I703-E707 VanDerWaalsContact O-CB 3.32Å; I703-E707 WeakPolarHBondContact O-CB 3.27Å; I703-E707 PolarHBondContact O-N 3.07Å; E705-E707 VanDerWaalsContact C-N 3.31Å; E705-E707 PolarHBondContact O-N 2.67Å; E707-R711 WeakPolarHBondContact O-CB 3.38Å; E707-R711 WeakPolarHBondContact O-CD 3.48Å; E707-R711 WeakPolarHBondContact O-CG 3.38Å; E707-R711 PolarHBondContact O-N 3.44Å; E707-R711 IonicContact OE1-CZ 3.88Å; E707-R711 IonicContact OE1-NE 3.96Å; E707-R711 PolarHBondContact OE1-NE 3.27Å; E707-R711 IonicContact OE1-NH2 3.2Å; E707-R711 PolarHBondContact OE1-NH2 3.12Å |
| 708 | K | 80.5 | Confident | 80.9 | Confident | 82 Ų | 82 | 63.9 Ų | 63.9 | 36% | 0.357 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.1 | -50.6 | 173.8 | -75.1 | 170.6 | -177.8 | -174.1 | 0 | 111.3 | Q417 K704 E705 R711 F712 | Q417-K708 VanDerWaalsContact CD-CG 3.45Å; Q417-K708 HydrophobicContact CG-CG 4.33Å; K704-K708 VanDerWaalsContact O-CG 3.31Å; K704-K708 WeakPolarHBondContact O-CG 3.36Å; K704-K708 PolarHBondContact O-N 3.44Å; E705-K708 WeakPolarHBondContact O-CB 2.99Å; E705-K708 PolarHBondContact O-N 2.87Å; K708-R711 PolarHBondContact O-N 3.16Å; K708-F712 PolarHBondContact O-N 3.23Å; K708-F712 VanDerWaalsContact O-N 3.09Å |
| 709 | A | 77.6 | Confident | 81.1 | Confident | 44 Ų | 44 | 63 Ų | 63 | 36% | 0.364 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | E705 A706 R711 F712 Q713 | E705-A709 WeakPolarHBondContact O-CB 3.13Å; E705-A709 PolarHBondContact O-N 3.16Å; A706-A709 PolarHBondContact O-N 3.39Å; A709-R711 PolarHBondContact O-N 2.99Å; A709-F712 PolarHBondContact O-N 3.31Å; A709-Q713 WeakPolarHBondContact O-CG 3.5Å; A709-Q713 PolarHBondContact O-N 3.41Å |
| 710 | W | 79 | Confident | 81.4 | Confident | 149 Ų | 149 | 64.9 Ų | 64.9 | 56% | 0.564 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.9 | -43.3 | 178.5 | 174.3 | 73.1 | 0 | 0 | 0 | 111.9 | A706 F712 Q713 L714 | A706-W710 VanDerWaalsContact O-CB 3.22Å; A706-W710 WeakPolarHBondContact O-CB 3.41Å; A706-W710 PolarHBondContact O-N 3.05Å; W710-F712 PolarHBondContact O-N 3.18Å; W710-Q713 PolarHBondContact O-N 3.02Å; W710-L714 HydrophobicContact CH2-CD2 4.17Å; W710-L714 HydrophobicContact CZ2-CD2 4.36Å; W710-L714 WeakPolarHBondContact O-CB 3.46Å; W710-L714 PolarHBondContact O-N 3.19Å |
| 711 | R | 82.4 | Confident | 81.4 | Confident | 44 Ų | 44 | 63 Ų | 63 | 17% | 0.166 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64 | -39.6 | 177.1 | -73.3 | 168.9 | 179.2 | -141.6 | -6.2 | 112.4 | V416 Q422 E707 K708 A709 L714 A715 | V416-R711 HydrophobicContact CG1-CB 4.21Å; Q422-R711 VanDerWaalsContact OE1-CZ 3.32Å; E707-R711 WeakPolarHBondContact O-CB 3.38Å; E707-R711 WeakPolarHBondContact O-CD 3.48Å; E707-R711 WeakPolarHBondContact O-CG 3.38Å; E707-R711 PolarHBondContact O-N 3.44Å; E707-R711 IonicContact OE1-CZ 3.88Å; E707-R711 IonicContact OE1-NE 3.96Å; E707-R711 PolarHBondContact OE1-NE 3.27Å; E707-R711 IonicContact OE1-NH2 3.2Å; E707-R711 PolarHBondContact OE1-NH2 3.12Å; K708-R711 PolarHBondContact O-N 3.16Å; A709-R711 PolarHBondContact O-N 2.99Å; R711-L714 PolarHBondContact O-N 3.39Å; R711-A715 PolarHBondContact O-N 3.38Å |
| 712 | F | 83.7 | Confident | 81.6 | Confident | 30 Ų | 30 | 60.2 Ų | 60.2 | 13% | 0.132 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 175 | -171.5 | -90 | 0 | 0 | 0 | 111.4 | I405 M413 V416 K708 A709 W710 L714 A715 E716 | I405-F712 WeakPolarHBondContact O-CZ 3.16Å; M413-F712 HydrophobicContact CB-CD2 4.48Å; M413-F712 HydrophobicContact CG-CD2 4Å; M413-F712 HydrophobicContact CG-CE2 4.32Å; M413-F712 HydrophobicContact CG-CG 4.41Å; V416-F712 HydrophobicContact CG2-CD2 3.96Å; K708-F712 PolarHBondContact O-N 3.23Å; K708-F712 VanDerWaalsContact O-N 3.09Å; A709-F712 PolarHBondContact O-N 3.31Å; W710-F712 PolarHBondContact O-N 3.18Å; F712-L714 VanDerWaalsContact C-N 3.34Å; F712-L714 PolarHBondContact O-N 3.27Å; F712-A715 WeakPolarHBondContact O-CB 3.1Å; F712-A715 PolarHBondContact O-N 2.73Å; F712-A715 VanDerWaalsContact O-N 3.14Å; F712-E716 PolarHBondContact O-N 2.82Å |
| 713 | Q | 80.2 | Confident | 81.8 | Confident | 123 Ų | 123 | 66.9 Ų | 66.9 | 58% | 0.575 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62.2 | -40.2 | 175.6 | -71.8 | 174.9 | 8.1 | 0 | 0 | 112.4 | A709 W710 A715 E716 M717 | A709-Q713 WeakPolarHBondContact O-CG 3.5Å; A709-Q713 PolarHBondContact O-N 3.41Å; W710-Q713 PolarHBondContact O-N 3.02Å; Q713-A715 VanDerWaalsContact C-N 3.29Å; Q713-A715 PolarHBondContact O-N 3.42Å; Q713-E716 PolarHBondContact O-N 3.17Å; Q713-M717 WeakPolarHBondContact O-CB 3.35Å; Q713-M717 PolarHBondContact O-N 3.22Å |
| 714 | L | 83.1 | Confident | 81.9 | Confident | 29 Ų | 29 | 72.2 Ų | 72.2 | 15% | 0.152 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 173.6 | -177.7 | 70.8 | 0 | 0 | 0 | 110.6 | W429 W710 R711 F712 M717 V718 | W429-L714 HydrophobicContact CD2-CD1 3.89Å; W429-L714 HydrophobicContact CE3-CD1 3.56Å; W429-L714 HydrophobicContact CH2-CD1 4.29Å; W429-L714 HydrophobicContact CZ3-CD1 3.78Å; W710-L714 HydrophobicContact CH2-CD2 4.17Å; W710-L714 HydrophobicContact CZ2-CD2 4.36Å; W710-L714 WeakPolarHBondContact O-CB 3.46Å; W710-L714 PolarHBondContact O-N 3.19Å; R711-L714 PolarHBondContact O-N 3.39Å; F712-L714 VanDerWaalsContact C-N 3.34Å; F712-L714 PolarHBondContact O-N 3.27Å; L714-M717 PolarHBondContact O-N 3.49Å; L714-V718 VanDerWaalsContact O-CG2 3.3Å; L714-V718 WeakPolarHBondContact O-CG2 3.29Å; L714-V718 PolarHBondContact O-N 3.29Å |
| 715 | A | 87 | Confident | 82 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | I405 V416 L425 R711 F712 Q713 M717 V718 I719 | I405-A715 HydrophobicContact CD1-CB 3.67Å; I405-A715 HydrophobicContact CG1-CB 3.98Å; V416-A715 HydrophobicContact CG1-CB 4.3Å; L425-A715 HydrophobicContact CD1-CB 3.56Å; L425-A715 HydrophobicContact CD2-CB 3.98Å; L425-A715 HydrophobicContact CG-CB 4.44Å; R711-A715 PolarHBondContact O-N 3.38Å; F712-A715 WeakPolarHBondContact O-CB 3.1Å; F712-A715 PolarHBondContact O-N 2.73Å; F712-A715 VanDerWaalsContact O-N 3.14Å; Q713-A715 VanDerWaalsContact C-N 3.29Å; Q713-A715 PolarHBondContact O-N 3.42Å; A715-M717 VanDerWaalsContact C-N 3.34Å; A715-M717 PolarHBondContact O-N 2.9Å; A715-V718 PolarHBondContact O-N 3.47Å; A715-I719 PolarHBondContact O-N 3.28Å; A715-I719 VanDerWaalsContact O-N 3.12Å |
| 716 | E | 86.1 | Confident | 82.3 | Confident | 77 Ų | 77 | 68.3 Ų | 68.3 | 36% | 0.36 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 175.1 | -165.1 | -164.5 | 152.9 | 0 | 0 | 111.8 | I405 F712 Q713 I719 R720 | I405-E716 HydrophobicContact CG2-CB 4.4Å; I405-E716 HydrophobicContact CG2-CG 4.43Å; F712-E716 PolarHBondContact O-N 2.82Å; Q713-E716 PolarHBondContact O-N 3.17Å; E716-I719 PolarHBondContact O-N 2.91Å; E716-R720 WeakPolarHBondContact O-CB 2.78Å; E716-R720 PolarHBondContact O-N 3.15Å; E716-R720 IonicContact OE1-CZ 3.61Å; E716-R720 IonicContact OE1-NH2 2.66Å; E716-R720 PolarHBondContact OE1-NH2 3.3Å |
| 717 | M | 82.1 | Confident | 82.9 | Confident | 60 Ų | 60 | 71.4 Ų | 71.4 | 30% | 0.296 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 177.8 | -176 | 177.2 | 174.6 | 0 | 0 | 111.8 | W429 F437 Q713 L714 A715 R720 L721 | W429-M717 HydrophobicContact CH2-CE 3.51Å; W429-M717 HydrophobicContact CH2-SD 3.72Å; W429-M717 HydrophobicContact CZ3-CE 3.76Å; W429-M717 HydrophobicContact CZ3-CG 4.18Å; W429-M717 HydrophobicContact CZ3-SD 3.69Å; F437-M717 HydrophobicContact CD2-CE 3.67Å; F437-M717 HydrophobicContact CE2-CE 3.22Å; F437-M717 HydrophobicContact CZ-CE 3.94Å; Q713-M717 WeakPolarHBondContact O-CB 3.35Å; Q713-M717 PolarHBondContact O-N 3.22Å; L714-M717 PolarHBondContact O-N 3.49Å; A715-M717 VanDerWaalsContact C-N 3.34Å; A715-M717 PolarHBondContact O-N 2.9Å; M717-R720 PolarHBondContact O-N 2.97Å; M717-L721 HydrophobicContact CE-CD1 4.31Å; M717-L721 HydrophobicContact CG-CD1 4.4Å; M717-L721 WeakPolarHBondContact O-CB 3.43Å; M717-L721 WeakPolarHBondContact O-CG 3.43Å; M717-L721 PolarHBondContact O-N 2.99Å |
| 718 | V | 84.4 | Confident | 83.3 | Confident | 3 Ų | 3 | 75.9 Ų | 75.9 | 2% | 0.018 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.7 | -46.5 | 176 | 168.9 | 0 | 0 | 0 | 0 | 110.6 | L425 K428 W429 L714 A715 R720 L721 E722 | L425-V718 HydrophobicContact CD2-CB 4.3Å; L425-V718 HydrophobicContact CD2-CG1 4.31Å; L425-V718 HydrophobicContact CD2-CG2 4.43Å; K428-V718 HydrophobicContact CB-CG1 3.96Å; K428-V718 HydrophobicContact CD-CG1 3.85Å; W429-V718 HydrophobicContact CE3-CG2 3.95Å; L714-V718 VanDerWaalsContact O-CG2 3.3Å; L714-V718 WeakPolarHBondContact O-CG2 3.29Å; L714-V718 PolarHBondContact O-N 3.29Å; A715-V718 PolarHBondContact O-N 3.47Å; V718-R720 VanDerWaalsContact C-N 3.32Å; V718-R720 PolarHBondContact O-N 2.57Å; V718-L721 WeakPolarHBondContact O-CB 3.41Å; V718-L721 PolarHBondContact O-N 3.36Å; V718-E722 WeakPolarHBondContact O-CG 3.42Å; V718-E722 PolarHBondContact O-N 3.01Å |
| 719 | I | 84.5 | Confident | 83.6 | Confident | 8 Ų | 8 | 77.6 Ų | 77.6 | 4% | 0.041 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 176.4 | -68.9 | -168.2 | 0 | 0 | 0 | 111.7 | T388 M402 I405 A715 E716 L721 E722 R723 | T388-I719 HydrophobicContact CG2-CD1 3.94Å; T388-I719 HydrophobicContact CG2-CG1 4.33Å; M402-I719 HydrophobicContact CE-CD1 3.77Å; M402-I719 HydrophobicContact CE-CG2 3.75Å; M402-I719 HydrophobicContact SD-CD1 3.98Å; M402-I719 HydrophobicContact SD-CG2 4.4Å; I405-I719 HydrophobicContact CB-CD1 4.37Å; I405-I719 HydrophobicContact CD1-CD1 3.18Å; I405-I719 HydrophobicContact CD1-CG1 3.89Å; I405-I719 HydrophobicContact CG1-CD1 4.36Å; I405-I719 HydrophobicContact CG2-CD1 4.48Å; A715-I719 PolarHBondContact O-N 3.28Å; A715-I719 VanDerWaalsContact O-N 3.12Å; E716-I719 PolarHBondContact O-N 2.91Å; I719-L721 VanDerWaalsContact C-N 3.29Å; I719-L721 PolarHBondContact O-N 3.43Å; I719-E722 PolarHBondContact O-N 3.41Å; I719-R723 PolarHBondContact O-N 3.4Å |
| 720 | R | 83.8 | Confident | 84.1 | Confident | 137 Ų | 137 | 75.8 Ų | 75.8 | 52% | 0.517 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 176.5 | -161.9 | 179.3 | -66.1 | -179.8 | -0.3 | 110.6 | E716 M717 V718 R723 Y724 | E716-R720 WeakPolarHBondContact O-CB 2.78Å; E716-R720 PolarHBondContact O-N 3.15Å; E716-R720 IonicContact OE1-CZ 3.61Å; E716-R720 IonicContact OE1-NH2 2.66Å; E716-R720 PolarHBondContact OE1-NH2 3.3Å; M717-R720 PolarHBondContact O-N 2.97Å; V718-R720 VanDerWaalsContact C-N 3.32Å; V718-R720 PolarHBondContact O-N 2.57Å; R720-R723 PolarHBondContact O-N 2.96Å; R720-Y724 HydrophobicContact CG-CE2 4.19Å; R720-Y724 WeakPolarHBondContact O-CD2 3.28Å; R720-Y724 WeakPolarHBondContact O-CE2 3.35Å |
| 721 | L | 82.1 | Confident | 84.4 | Confident | 23 Ų | 23 | 69.7 Ų | 69.7 | 12% | 0.12 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 174.3 | -74.9 | 174.8 | 0 | 0 | 0 | 112.6 | W429 A436 M717 V718 I719 R723 Y724 Y725 | W429-L721 HydrophobicContact CZ3-CD1 4.15Å; A436-L721 HydrophobicContact CB-CD2 3.91Å; M717-L721 HydrophobicContact CE-CD1 4.31Å; M717-L721 HydrophobicContact CG-CD1 4.4Å; M717-L721 WeakPolarHBondContact O-CB 3.43Å; M717-L721 WeakPolarHBondContact O-CG 3.43Å; M717-L721 PolarHBondContact O-N 2.99Å; V718-L721 WeakPolarHBondContact O-CB 3.41Å; V718-L721 PolarHBondContact O-N 3.36Å; I719-L721 VanDerWaalsContact C-N 3.29Å; I719-L721 PolarHBondContact O-N 3.43Å; L721-R723 PolarHBondContact O-N 2.84Å; L721-Y724 PolarHBondContact O-N 3.36Å; L721-Y725 WeakPolarHBondContact O-CD2 3.36Å |
| 722 | E | 84.3 | Confident | 84.7 | Confident | 6 Ų | 6 | 72.3 Ų | 72.3 | 3% | 0.028 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57 | -38 | 177.4 | -75.2 | 172.4 | -175.5 | 0 | 0 | 112.3 | T388 I389 K428 V718 I719 Y724 Y725 L730 | T388-E722 WeakPolarHBondContact CB-OE2 3.48Å; T388-E722 VanDerWaalsContact OG1-CD 3.26Å; T388-E722 PolarHBondContact OG1-OE1 3.01Å; T388-E722 PolarHBondContact OG1-OE2 3.42Å; I389-E722 HydrophobicContact CD1-CG 4.47Å; K428-E722 WeakPolarHBondContact CD-OE1 3.22Å; K428-E722 WeakPolarHBondContact CE-OE1 3.47Å; K428-E722 IonicContact NZ-OE1 2.69Å; K428-E722 PolarHBondContact NZ-OE1 3.23Å; V718-E722 WeakPolarHBondContact O-CG 3.42Å; V718-E722 PolarHBondContact O-N 3.01Å; I719-E722 PolarHBondContact O-N 3.41Å; E722-Y724 PolarHBondContact O-N 2.78Å; E722-Y725 PolarHBondContact O-N 3.31Å; E722-L730 HydrophobicContact CB-CD2 4.34Å; E722-L730 HydrophobicContact CG-CD2 4.44Å |
| 723 | R | 83.9 | Confident | 84.8 | Confident | 161 Ų | 161 | 72 Ų | 72 | 61% | 0.608 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -18.7 | 178.8 | -65.4 | -178.7 | -172.1 | -170.2 | 4.7 | 114.2 | I719 R720 L721 | I719-R723 PolarHBondContact O-N 3.4Å; R720-R723 PolarHBondContact O-N 2.96Å; L721-R723 PolarHBondContact O-N 2.84Å |
| 724 | Y | 81.4 | Confident | 85.2 | Confident | 169 Ų | 169 | 66.3 Ų | 66.3 | 66% | 0.663 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -18.5 | 177.2 | -67.7 | -83.9 | 0 | 0 | 0 | 113.2 | R720 L721 E722 | R720-Y724 HydrophobicContact CG-CE2 4.19Å; R720-Y724 WeakPolarHBondContact O-CD2 3.28Å; R720-Y724 WeakPolarHBondContact O-CE2 3.35Å; L721-Y724 PolarHBondContact O-N 3.36Å; E722-Y724 PolarHBondContact O-N 2.78Å |
| 725 | Y | 83.3 | Confident | 85.4 | Confident | 52 Ų | 52 | 68.5 Ų | 68.5 | 20% | 0.204 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -96.9 | 144 | -175.5 | -65.2 | -72.2 | 0 | 0 | 0 | 112.2 | Y432 A436 L721 E722 K729 F733 | Y432-Y725 HydrophobicContact CD1-CD2 4.48Å; Y432-Y725 HydrophobicContact CD1-CE2 4.37Å; A436-Y725 WeakPolarHBondContact CB-OH 3.09Å; L721-Y725 WeakPolarHBondContact O-CD2 3.36Å; E722-Y725 PolarHBondContact O-N 3.31Å; Y725-K729 HydrophobicContact CD1-CD 4.49Å; Y725-F733 AromaticContact CD1-CE2 3.86Å; Y725-F733 HydrophobicContact CD1-CE2 3.86Å; Y725-F733 HydrophobicContact CD1-CZ 4.37Å; Y725-F733 HydrophobicContact CD2-CE2 4.39Å; Y725-F733 HydrophobicContact CE1-CE2 4.19Å; Y725-F733 HydrophobicContact CE1-CZ 4.31Å; Y725-F733 AromaticContact CG-CE2 3.96Å; Y725-F733 HydrophobicContact CG-CE2 3.96Å |
| 726 | N | 86.1 | Confident | 85.3 | Confident | 119 Ų | 119 | 73.7 Ų | 73.7 | 64% | 0.636 | 33% | 0.33 | S | S | * | . | trans | -68.4 | 154.1 | 174.9 | -68.3 | -6.8 | 0 | 0 | 0 | 112 | E728 K729 L730 | N726-E728 VanDerWaalsContact C-N 3.35Å; N726-E728 PolarHBondContact O-N 3.11Å; N726-K729 WeakPolarHBondContact O-CB 3.46Å; N726-K729 PolarHBondContact O-N 3.01Å; N726-L730 PolarHBondContact O-N 3.06Å | ||
| 727 | K | 86.7 | Confident | 85.3 | Confident | 105 Ų | 105 | 70 Ų | 70 | 46% | 0.457 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -47.2 | -48.3 | -179.6 | -166.9 | -178.1 | 173.5 | 172.9 | 0 | 114.2 | D392 G393 K729 L730 A731 | D392-K727 WeakPolarHBondContact O-CE 3.08Å; D392-K727 WeakPolarHBondContact OD2-CE 3.38Å; D392-K727 IonicContact OD2-NZ 2.87Å; D392-K727 PolarHBondContact OD2-NZ 2.81Å; G393-K727 VanDerWaalsContact O-CG 3.28Å; G393-K727 WeakPolarHBondContact O-CG 3.24Å; K727-K729 PolarHBondContact O-N 3.49Å; K727-L730 WeakPolarHBondContact O-CB 3.05Å; K727-L730 PolarHBondContact O-N 2.82Å; K727-A731 PolarHBondContact O-N 3.32Å |
| 728 | E | 87.6 | Confident | 85.6 | Confident | 172 Ų | 172 | 67.5 Ų | 67.5 | 80% | 0.804 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.8 | -39.2 | -179 | -65 | 175.2 | -177.7 | 0 | 0 | 112.7 | N726 A731 H732 | N726-E728 VanDerWaalsContact C-N 3.35Å; N726-E728 PolarHBondContact O-N 3.11Å; E728-A731 PolarHBondContact O-N 2.87Å; E728-H732 PolarHBondContact O-N 2.95Å |
| 729 | K | 86.3 | Confident | 85.6 | Confident | 119 Ų | 119 | 67.8 Ų | 67.8 | 52% | 0.517 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.6 | -42.9 | 175.2 | -70.9 | -174.8 | 178.8 | 177.6 | 0 | 110.1 | Y725 N726 K727 A731 H732 F733 | Y725-K729 HydrophobicContact CD1-CD 4.49Å; N726-K729 WeakPolarHBondContact O-CB 3.46Å; N726-K729 PolarHBondContact O-N 3.01Å; K727-K729 PolarHBondContact O-N 3.49Å; K729-A731 PolarHBondContact O-N 3.19Å; K729-H732 WeakPolarHBondContact O-CB 3.21Å; K729-H732 PolarHBondContact O-N 3.14Å; K729-F733 HydrophobicContact CB-CD2 4.08Å; K729-F733 HydrophobicContact CB-CE2 3.74Å; K729-F733 HydrophobicContact CB-CZ 4.47Å; K729-F733 WeakPolarHBondContact O-CB 3.4Å; K729-F733 WeakPolarHBondContact O-CD2 3.2Å; K729-F733 WeakPolarHBondContact O-CG 3.43Å; K729-F733 PolarHBondContact O-N 3.25Å |
| 730 | L | 87.3 | Confident | 85.6 | Confident | 6 Ų | 6 | 70.1 Ų | 70.1 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57 | -45.9 | 175.9 | -68 | 175.1 | 0 | 0 | 0 | 112.1 | I389 T395 Y432 E722 N726 K727 F733 Q734 | I389-L730 HydrophobicContact CD1-CB 4.18Å; I389-L730 HydrophobicContact CD1-CD2 3.92Å; I389-L730 HydrophobicContact CG2-CB 4.3Å; T395-L730 HydrophobicContact CG2-CD1 4.31Å; Y432-L730 HydrophobicContact CE1-CD2 4.36Å; E722-L730 HydrophobicContact CB-CD2 4.34Å; E722-L730 HydrophobicContact CG-CD2 4.44Å; N726-L730 PolarHBondContact O-N 3.06Å; K727-L730 WeakPolarHBondContact O-CB 3.05Å; K727-L730 PolarHBondContact O-N 2.82Å; L730-F733 PolarHBondContact O-N 3.33Å; L730-Q734 PolarHBondContact O-N 3.32Å |
| 731 | A | 87 | Confident | 85.6 | Confident | 21 Ų | 21 | 66.1 Ų | 66.1 | 17% | 0.174 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.9 | -47.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | K727 E728 K729 F733 Q734 N735 | K727-A731 PolarHBondContact O-N 3.32Å; E728-A731 PolarHBondContact O-N 2.87Å; K729-A731 PolarHBondContact O-N 3.19Å; A731-F733 VanDerWaalsContact C-N 3.27Å; A731-F733 PolarHBondContact O-N 3.25Å; A731-Q734 WeakPolarHBondContact O-CB 3.42Å; A731-Q734 PolarHBondContact O-N 2.71Å; A731-N735 PolarHBondContact O-N 2.74Å; A731-N735 VanDerWaalsContact O-N 3.1Å; A731-N735 PolarHBondContact O-OD1 3.24Å |
| 732 | H | 87.4 | Confident | 85.5 | Confident | 99 Ų | 99 | 66.9 Ų | 66.9 | 46% | 0.458 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.2 | -38.5 | 175.7 | 175.8 | 72.2 | 0 | 0 | 0 | 112.7 | E728 K729 N735 K736 | E728-H732 PolarHBondContact O-N 2.95Å; K729-H732 WeakPolarHBondContact O-CB 3.21Å; K729-H732 PolarHBondContact O-N 3.14Å; H732-N735 WeakPolarHBondContact O-CB 3.28Å; H732-N735 PolarHBondContact O-N 2.98Å; H732-K736 WeakPolarHBondContact NE2-CE 3.21Å; H732-K736 PolarHBondContact NE2-NZ 2.75Å |
| 733 | F | 86.4 | Confident | 85 | Confident | 23 Ų | 23 | 71.2 Ų | 71.2 | 10% | 0.101 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -71 | -37.2 | 177.6 | -65.8 | -52.3 | 0 | 0 | 0 | 112.1 | V431 Y432 Y725 K729 L730 A731 N735 K736 Y737 | V431-F733 HydrophobicContact CG1-CB 3.79Å; V431-F733 HydrophobicContact CG1-CD1 3.44Å; V431-F733 VanDerWaalsContact CG1-CD1 3.44Å; V431-F733 HydrophobicContact CG1-CE1 4.27Å; V431-F733 HydrophobicContact CG1-CG 3.94Å; Y432-F733 HydrophobicContact CD1-CB 3.91Å; Y432-F733 HydrophobicContact CD1-CD1 4.13Å; Y432-F733 AromaticContact CD1-CD2 3.52Å; Y432-F733 HydrophobicContact CD1-CD2 3.52Å; Y432-F733 HydrophobicContact CD1-CE1 4.47Å; Y432-F733 AromaticContact CD1-CE2 3.86Å; Y432-F733 HydrophobicContact CD1-CE2 3.86Å; Y432-F733 AromaticContact CD1-CG 3.62Å; Y432-F733 HydrophobicContact CD1-CG 3.62Å; Y432-F733 HydrophobicContact CD1-CZ 4.34Å; Y432-F733 HydrophobicContact CE1-CB 3.01Å; Y432-F733 HydrophobicContact CE1-CD1 4.05Å; Y432-F733 AromaticContact CE1-CD2 3.12Å; Y432-F733 HydrophobicContact CE1-CD2 3.12Å; Y432-F733 AromaticContact CE1-CE2 3.93Å; Y432-F733 HydrophobicContact CE1-CE2 3.93Å; Y432-F733 AromaticContact CE1-CG 3.15Å; Y432-F733 HydrophobicContact CE1-CG 3.15Å; Y432-F733 VanDerWaalsContact OH-CB 3.26Å; Y432-F733 WeakPolarHBondContact OH-CB 3.29Å; Y725-F733 AromaticContact CD1-CE2 3.86Å; Y725-F733 HydrophobicContact CD1-CE2 3.86Å; Y725-F733 HydrophobicContact CD1-CZ 4.37Å; Y725-F733 HydrophobicContact CD2-CE2 4.39Å; Y725-F733 HydrophobicContact CE1-CE2 4.19Å; Y725-F733 HydrophobicContact CE1-CZ 4.31Å; Y725-F733 AromaticContact CG-CE2 3.96Å; Y725-F733 HydrophobicContact CG-CE2 3.96Å; K729-F733 HydrophobicContact CB-CD2 4.08Å; K729-F733 HydrophobicContact CB-CE2 3.74Å; K729-F733 HydrophobicContact CB-CZ 4.47Å; K729-F733 WeakPolarHBondContact O-CB 3.4Å; K729-F733 WeakPolarHBondContact O-CD2 3.2Å; K729-F733 WeakPolarHBondContact O-CG 3.43Å; K729-F733 PolarHBondContact O-N 3.25Å; L730-F733 PolarHBondContact O-N 3.33Å; A731-F733 VanDerWaalsContact C-N 3.27Å; A731-F733 PolarHBondContact O-N 3.25Å; F733-N735 PolarHBondContact O-N 3.12Å; F733-K736 WeakPolarHBondContact O-CB 3.47Å; F733-K736 PolarHBondContact O-N 3.35Å; F733-Y737 WeakPolarHBondContact O-CD1 3.33Å; F733-Y737 WeakPolarHBondContact O-CE1 3.21Å |
| 734 | Q | 88.3 | Confident | 84.3 | Confident | 3 Ų | 3 | 66.1 Ų | 66.1 | 1% | 0.014 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.1 | -39.2 | 171.3 | -172.3 | 174.9 | 53.9 | 0 | 0 | 111.5 | D387 I389 N390 L730 A731 K736 Y737 S738 | D387-Q734 PolarHBondContact OD2-NE2 3.21Å; D387-Q734 VanDerWaalsContact OD2-NE2 3.13Å; I389-Q734 HydrophobicContact CG2-CB 4.37Å; I389-Q734 PolarHBondContact O-NE2 3.15Å; N390-Q734 PolarHBondContact O-OE1 2.97Å; L730-Q734 PolarHBondContact O-N 3.32Å; A731-Q734 WeakPolarHBondContact O-CB 3.42Å; A731-Q734 PolarHBondContact O-N 2.71Å; Q734-K736 PolarHBondContact O-N 2.9Å; Q734-Y737 HydrophobicContact CB-CE1 4.28Å; Q734-Y737 HydrophobicContact CG-CE2 4.18Å; Q734-Y737 PolarHBondContact O-N 3.09Å; Q734-S738 VanDerWaalsContact O-CB 3.31Å; Q734-S738 WeakPolarHBondContact O-CB 3.33Å; Q734-S738 PolarHBondContact O-N 3.43Å; Q734-S738 PolarHBondContact O-OG 3.23Å |
| 735 | N | 87 | Confident | 83.6 | Confident | 75 Ų | 75 | 69.8 Ų | 69.8 | 40% | 0.401 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.8 | -21.7 | 177.3 | -61.3 | -7.9 | 0 | 0 | 0 | 113.8 | A731 H732 F733 R752 | A731-N735 PolarHBondContact O-N 2.74Å; A731-N735 VanDerWaalsContact O-N 3.1Å; A731-N735 PolarHBondContact O-OD1 3.24Å; H732-N735 WeakPolarHBondContact O-CB 3.28Å; H732-N735 PolarHBondContact O-N 2.98Å; F733-N735 PolarHBondContact O-N 3.12Å; N735-R752 PolarHBondContact OD1-NE 3.4Å; N735-R752 PolarHBondContact OD1-NH1 3.49Å; N735-R752 PolarHBondContact OD1-NH2 2.92Å; N735-R752 VanDerWaalsContact OD1-NH2 3.17Å |
| 736 | K | 85.5 | Confident | 82.6 | Confident | 109 Ų | 109 | 74.8 Ų | 74.8 | 47% | 0.474 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -79.9 | -36.3 | 179 | -69.8 | -176.9 | 174 | 173.6 | 0 | 113.2 | V431 H732 F733 Q734 R863 | V431-K736 HydrophobicContact CG1-CB 4.37Å; V431-K736 HydrophobicContact CG1-CD 4.08Å; V431-K736 HydrophobicContact CG2-CB 4.01Å; H732-K736 WeakPolarHBondContact NE2-CE 3.21Å; H732-K736 PolarHBondContact NE2-NZ 2.75Å; F733-K736 WeakPolarHBondContact O-CB 3.47Å; F733-K736 PolarHBondContact O-N 3.35Å; Q734-K736 PolarHBondContact O-N 2.9Å; K736-R863 PolarHBondContact O-NH1 2.93Å; K736-R863 VanDerWaalsContact O-NH1 3.16Å |
| 737 | Y | 85.7 | Confident | 81.5 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -100.1 | -9.4 | -178.2 | 65.4 | -100.9 | 0 | 0 | 0 | 114.9 | L383 D387 L424 K428 V431 Y432 F733 Q734 R863 | L383-Y737 HydrophobicContact CD1-CE2 4.09Å; D387-Y737 PolarHBondContact OD2-OH 3.46Å; L424-Y737 HydrophobicContact CD1-CD2 4.11Å; L424-Y737 HydrophobicContact CD1-CE2 3.85Å; K428-Y737 HydrophobicContact CG-CE1 4.18Å; V431-Y737 HydrophobicContact CG2-CD1 4.33Å; Y432-Y737 HydrophobicContact CE2-CE1 4.07Å; Y432-Y737 AromaticContact CZ-CE1 4Å; Y432-Y737 VanDerWaalsContact OH-CE1 3.32Å; Y432-Y737 WeakPolarHBondContact OH-CE1 3.07Å; F733-Y737 WeakPolarHBondContact O-CD1 3.33Å; F733-Y737 WeakPolarHBondContact O-CE1 3.21Å; Q734-Y737 HydrophobicContact CB-CE1 4.28Å; Q734-Y737 HydrophobicContact CG-CE2 4.18Å; Q734-Y737 PolarHBondContact O-N 3.09Å; Y737-R863 PolarHBondContact O-NH2 2.99Å |
| 738 | S | 87.7 | Confident | 80.7 | Confident | 8 Ų | 8 | 69.4 Ų | 69.4 | 6% | 0.056 | 37% | 0.367 | C | S | . | . | trans | -112.5 | 158.9 | -178.9 | 68.8 | 0 | 0 | 0 | 0 | 113.4 | L383 Q734 R752 G753 | L383-S738 VanDerWaalsContact CD1-CB 3.46Å; Q734-S738 VanDerWaalsContact O-CB 3.31Å; Q734-S738 WeakPolarHBondContact O-CB 3.33Å; Q734-S738 PolarHBondContact O-N 3.43Å; Q734-S738 PolarHBondContact O-OG 3.23Å; S738-R752 PolarHBondContact OG-NH1 3.15Å; S738-G753 CarbonylContact C-O 3.47Å; S738-G753 WeakPolarHBondContact CA-O 3.47Å | ||
| 739 | V | 86 | Confident | 80 | Confident | 9 Ų | 9 | 65.1 Ų | 65.1 | 6% | 0.055 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 148.6 | 172.7 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | F370 R752 G753 M755 R863 I866 | F370-V739 HydrophobicContact CZ-CG1 4.45Å; V739-R752 CarbonylContact O-C 3.55Å; V739-R752 VanDerWaalsContact O-CA 3.31Å; V739-R752 WeakPolarHBondContact O-CA 3.35Å; V739-G753 PolarHBondContact N-O 2.9Å; V739-G753 PolarHBondContact O-N 3.11Å; V739-M755 HydrophobicContact CG2-CB 4.3Å; V739-M755 HydrophobicContact CG2-SD 4.36Å; V739-R863 HydrophobicContact CG2-CB 4.29Å; V739-R863 HydrophobicContact CG2-CG 3.57Å; V739-I866 HydrophobicContact CG1-CB 4.46Å; V739-I866 HydrophobicContact CG1-CG2 3.87Å |
| 740 | S | 84.2 | Confident | 79.7 | Confident | 57 Ų | 57 | 63.9 Ų | 63.9 | 40% | 0.399 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 128.9 | 171.8 | 52.3 | 0 | 0 | 0 | 0 | 110.9 | ||
| 741 | L | 82.9 | Confident | 79.4 | Confident | 53 Ų | 53 | 67.3 Ų | 67.3 | 28% | 0.277 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 4.1 | 175 | -72.6 | 173.4 | 0 | 0 | 0 | 112.5 | V368 F370 A380 P382 K751 | V368-L741 HydrophobicContact CB-CD2 4.4Å; F370-L741 HydrophobicContact CZ-CD2 4.05Å; A380-L741 HydrophobicContact CB-CD2 3.79Å; P382-L741 HydrophobicContact CB-CD1 4.38Å; L741-K751 HydrophobicContact CB-CB 4.28Å; L741-K751 PolarHBondContact N-O 2.65Å |
| 742 | G | 79.4 | Confident | 79.4 | Confident | 38 Ų | 38 | 67.9 Ų | 67.9 | 39% | 0.392 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 115 | -178 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K751 | G742-K751 PolarHBondContact O-N 3.45Å |
| 743 | V | 75.7 | Confident | 79.5 | Confident | 98 Ų | 98 | 63.2 Ų | 63.2 | 59% | 0.594 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 133.8 | -178.9 | -177.1 | 0 | 0 | 0 | 0 | 109.9 | ||
| 744 | E | 69.2 | Low | 79.7 | Confident | 53 Ų | 53 | 62.1 Ų | 62.1 | 25% | 0.248 | 33% | 0.332 | C | S | . | . | trans | -72.5 | 131.8 | 173.1 | -172.6 | 157.4 | -127.7 | 0 | 0 | 111.1 | D746 S747 G748 L749 K751 | E744-D746 VanDerWaalsContact C-N 3.3Å; E744-D746 PolarHBondContact O-N 2.75Å; E744-S747 WeakPolarHBondContact CB-OG 3.17Å; E744-S747 PolarHBondContact OE2-OG 3.25Å; E744-G748 WeakPolarHBondContact O-CA 3.26Å; E744-G748 PolarHBondContact O-N 2.9Å; E744-L749 PolarHBondContact N-O 2.84Å; E744-K751 HydrophobicContact CB-CD 4.32Å; E744-K751 HydrophobicContact CB-CG 3.96Å; E744-K751 WeakPolarHBondContact OE1-CE 3.5Å; E744-K751 IonicContact OE1-NZ 3.95Å; E744-K751 PolarHBondContact OE1-NZ 3.48Å | ||
| 745 | R | 65.8 | Low | 79.6 | Confident | 247 Ų | 247 | 62 Ų | 62 | 93% | 0.932 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -34.8 | -177.9 | -68.9 | -177.2 | 180 | 175.5 | 0.2 | 113 | ||
| 746 | D | 62.5 | Low | 79.5 | Confident | 156 Ų | 156 | 58.9 Ų | 58.9 | 83% | 0.834 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -39.8 | -171 | -62.2 | -22 | 0 | 0 | 0 | 113.2 | E744 | E744-D746 VanDerWaalsContact C-N 3.3Å; E744-D746 PolarHBondContact O-N 2.75Å |
| 747 | S | 63.1 | Low | 79.3 | Confident | 57 Ų | 57 | 55.3 Ų | 55.3 | 40% | 0.399 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -18.9 | -176.4 | 65.3 | 0 | 0 | 0 | 0 | 113.1 | E744 L749 | E744-S747 WeakPolarHBondContact CB-OG 3.17Å; E744-S747 PolarHBondContact OE2-OG 3.25Å; S747-L749 PolarHBondContact O-N 2.85Å; S747-L749 VanDerWaalsContact O-N 3.15Å; S747-L749 PolarHBondContact OG-N 2.87Å |
| 748 | G | 69 | Low | 78.9 | Confident | 54 Ų | 54 | 56.5 Ų | 56.5 | 56% | 0.557 | 31% | 0.306 | S | S | * | . | trans | 66.8 | 2.8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E744 | E744-G748 WeakPolarHBondContact O-CA 3.26Å; E744-G748 PolarHBondContact O-N 2.9Å | ||
| 749 | L | 74.1 | Confident | 78.3 | Confident | 83 Ų | 83 | 61.5 Ų | 61.5 | 44% | 0.435 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -83.4 | 148.2 | 178.8 | -65.8 | 167.9 | 0 | 0 | 0 | 110.4 | A391 E744 S747 K751 | A391-L749 HydrophobicContact CB-CB 4.47Å; E744-L749 PolarHBondContact N-O 2.84Å; S747-L749 PolarHBondContact O-N 2.85Å; S747-L749 VanDerWaalsContact O-N 3.15Å; S747-L749 PolarHBondContact OG-N 2.87Å; L749-K751 PolarHBondContact O-N 3.41Å |
| 750 | E | 78.3 | Confident | 77.6 | Confident | 93 Ų | 93 | 66.4 Ų | 66.4 | 44% | 0.435 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 121 | 173.2 | -66.1 | -178 | 163.8 | 0 | 0 | 110.1 | R752 | E750-R752 PolarHBondContact O-N 2.86Å; E750-R752 IonicContact OE2-CZ 3.61Å; E750-R752 IonicContact OE2-NE 3Å; E750-R752 IonicContact OE2-NH2 2.65Å; E750-R752 PolarHBondContact OE2-NH2 3.35Å |
| 751 | K | 82.2 | Confident | 76.6 | Confident | 77 Ų | 77 | 75.1 Ų | 75.1 | 34% | 0.335 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 123.7 | 166.4 | -67 | -164.1 | 179.5 | -160.7 | 0 | 107.9 | L741 G742 E744 L749 | L741-K751 HydrophobicContact CB-CB 4.28Å; L741-K751 PolarHBondContact N-O 2.65Å; G742-K751 PolarHBondContact O-N 3.45Å; E744-K751 HydrophobicContact CB-CD 4.32Å; E744-K751 HydrophobicContact CB-CG 3.96Å; E744-K751 WeakPolarHBondContact OE1-CE 3.5Å; E744-K751 IonicContact OE1-NZ 3.95Å; E744-K751 PolarHBondContact OE1-NZ 3.48Å; L749-K751 PolarHBondContact O-N 3.41Å |
| 752 | R | 87.7 | Confident | 75.7 | Confident | 34 Ų | 34 | 75.4 Ų | 75.4 | 13% | 0.128 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 147.7 | 178.4 | -71.7 | 178.6 | 171.2 | -90.2 | -7.8 | 110.6 | L383 N735 S738 V739 E750 | L383-R752 WeakPolarHBondContact CB-O 3.29Å; L383-R752 HydrophobicContact CD1-CB 4.35Å; L383-R752 PolarHBondContact N-O 3.47Å; N735-R752 PolarHBondContact OD1-NE 3.4Å; N735-R752 PolarHBondContact OD1-NH1 3.49Å; N735-R752 PolarHBondContact OD1-NH2 2.92Å; N735-R752 VanDerWaalsContact OD1-NH2 3.17Å; S738-R752 PolarHBondContact OG-NH1 3.15Å; V739-R752 CarbonylContact O-C 3.55Å; V739-R752 VanDerWaalsContact O-CA 3.31Å; V739-R752 WeakPolarHBondContact O-CA 3.35Å; E750-R752 PolarHBondContact O-N 2.86Å; E750-R752 IonicContact OE2-CZ 3.61Å; E750-R752 IonicContact OE2-NE 3Å; E750-R752 IonicContact OE2-NH2 2.65Å; E750-R752 PolarHBondContact OE2-NH2 3.35Å |
| 753 | G | 88.9 | Confident | 75.2 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 150.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y381 S738 V739 | Y381-G753 CarbonylContact O-C 3.59Å; Y381-G753 WeakPolarHBondContact O-CA 3.2Å; S738-G753 CarbonylContact C-O 3.47Å; S738-G753 WeakPolarHBondContact CA-O 3.47Å; V739-G753 PolarHBondContact N-O 2.9Å; V739-G753 PolarHBondContact O-N 3.11Å |
| 754 | L | 89.9 | Confident | 75 | Confident | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 122.2 | 170.2 | -178.4 | 72.8 | 0 | 0 | 0 | 109.8 | A380 Y381 L383 V420 R423 L424 V756 | A380-L754 CarbonylContact C-O 3.35Å; A380-L754 VanDerWaalsContact CA-O 3.27Å; A380-L754 WeakPolarHBondContact CA-O 3.41Å; Y381-L754 PolarHBondContact N-O 2.91Å; Y381-L754 PolarHBondContact O-N 3Å; L383-L754 HydrophobicContact CD2-CB 4.01Å; L383-L754 HydrophobicContact CG-CB 4.48Å; V420-L754 HydrophobicContact CG1-CD2 4.11Å; V420-L754 WeakPolarHBondContact O-CD2 3.33Å; R423-L754 HydrophobicContact CB-CD2 4.16Å; R423-L754 HydrophobicContact CG-CD2 4.2Å; L424-L754 HydrophobicContact CB-CD2 3.82Å; L424-L754 HydrophobicContact CD1-CD1 4.23Å; L424-L754 HydrophobicContact CD1-CD2 4.35Å; L754-V756 HydrophobicContact CD2-CG2 3.99Å; L754-V756 HydrophobicContact CG-CG2 4.13Å |
| 755 | M | 86.2 | Confident | 75.1 | Confident | 0 Ų | 0 | 81.5 Ų | 81.5 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 123 | 175.4 | -167.7 | 176 | -159.4 | 0 | 0 | 110.9 | V378 V739 V859 A862 R863 I866 | V378-M755 HydrophobicContact CG1-CE 3.14Å; V378-M755 HydrophobicContact CG1-CG 3.97Å; V378-M755 HydrophobicContact CG1-SD 4.39Å; V739-M755 HydrophobicContact CG2-CB 4.3Å; V739-M755 HydrophobicContact CG2-SD 4.36Å; M755-V859 HydrophobicContact CB-CG1 4.44Å; M755-A862 HydrophobicContact CE-CB 3.21Å; M755-A862 HydrophobicContact SD-CB 3.96Å; M755-R863 HydrophobicContact SD-CG 3.8Å; M755-I866 HydrophobicContact CE-CD1 3.63Å |
| 756 | V | 84.9 | Confident | 75.3 | Confident | 10 Ų | 10 | 74.6 Ų | 74.6 | 6% | 0.061 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 130 | 178.7 | -175.5 | 0 | 0 | 0 | 0 | 108.9 | S379 Y381 R423 L754 K758 | S379-V756 PolarHBondContact N-O 3.38Å; S379-V756 PolarHBondContact O-N 3.5Å; Y381-V756 HydrophobicContact CD2-CB 4.17Å; Y381-V756 HydrophobicContact CD2-CG2 3.7Å; Y381-V756 HydrophobicContact CE2-CB 3.86Å; Y381-V756 HydrophobicContact CE2-CG2 3.88Å; R423-V756 HydrophobicContact CB-CG2 4.42Å; R423-V756 HydrophobicContact CG-CG2 4.25Å; L754-V756 HydrophobicContact CD2-CG2 3.99Å; L754-V756 HydrophobicContact CG-CG2 4.13Å; V756-K758 HydrophobicContact CG1-CG 4.04Å |
| 757 | I | 82 | Confident | 75.7 | Confident | 35 Ų | 35 | 72 Ų | 72 | 18% | 0.179 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 119.1 | 173 | -53 | -176.8 | 0 | 0 | 0 | 107.4 | I376 T377 V378 H858 V859 | I376-I757 HydrophobicContact CG2-CG2 3.66Å; T377-I757 CarbonylContact O-C 3.58Å; T377-I757 WeakPolarHBondContact O-CA 3.25Å; V378-I757 HydrophobicContact CG2-CB 4.48Å; V378-I757 HydrophobicContact CG2-CG1 3.97Å; V378-I757 HydrophobicContact CG2-CG2 4.25Å; I757-H858 HydrophobicContact CD1-CB 4.03Å; I757-V859 HydrophobicContact CD1-CG2 3.6Å; I757-V859 HydrophobicContact CG1-CG2 3.76Å |
| 758 | K | 77.7 | Confident | 76.2 | Confident | 25 Ų | 25 | 77.9 Ų | 77.9 | 11% | 0.109 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 134.9 | 178.7 | -65.9 | -175.3 | 173.8 | -175.2 | 0 | 110.3 | E364 I376 T377 Y381 V756 | E364-K758 IonicContact OE1-NZ 3.77Å; E364-K758 PolarHBondContact OE1-NZ 3.31Å; E364-K758 IonicContact OE2-NZ 2.78Å; E364-K758 PolarHBondContact OE2-NZ 3.42Å; I376-K758 CarbonylContact C-O 3.29Å; I376-K758 WeakPolarHBondContact CA-O 3.44Å; T377-K758 PolarHBondContact N-O 3.28Å; T377-K758 PolarHBondContact O-N 2.91Å; T377-K758 WeakPolarHBondContact OG1-CB 3.05Å; T377-K758 PolarHBondContact OG1-O 3.47Å; Y381-K758 WeakPolarHBondContact OH-CE 3.1Å; Y381-K758 PolarHBondContact OH-NZ 3Å; V756-K758 HydrophobicContact CG1-CG 4.04Å |
| 759 | Q | 75.2 | Confident | 76.5 | Confident | 112 Ų | 112 | 83.1 Ų | 83.1 | 52% | 0.523 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 115.7 | 169.4 | -169.8 | 177.7 | 12.5 | 0 | 0 | 109.6 | D375 | D375-Q759 CarbonylContact O-C 3.54Å; D375-Q759 WeakPolarHBondContact O-CA 3.29Å; D375-Q759 PolarHBondContact OD2-NE2 3.4Å |
| 760 | F | 70.6 | Confident | 76.3 | Confident | 112 Ų | 112 | 82.8 Ų | 82.8 | 49% | 0.491 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -79.8 | 133.4 | 176.3 | -72.4 | -78 | 0 | 0 | 0 | 110.8 | D375 T377 K762 | D375-F760 PolarHBondContact O-N 2.87Å; T377-F760 HydrophobicContact CG2-CD2 4.1Å; T377-F760 HydrophobicContact CG2-CE2 3.68Å; T377-F760 WeakPolarHBondContact OG1-CE2 3.36Å; F760-K762 PolarHBondContact O-N 3.17Å; F760-K762 VanDerWaalsContact O-N 3.07Å |
| 761 | R | 63 | Low | 76.1 | Confident | 240 Ų | 240 | 81.1 Ų | 81.1 | 91% | 0.906 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 116.9 | 168.7 | -72.3 | -175.3 | 173.8 | -177 | -1.1 | 108.9 | T763 | R761-T763 PolarHBondContact O-N 3.11Š|
| 762 | K | 63.2 | Low | 75.7 | Confident | 59 Ų | 59 | 83.4 Ų | 83.4 | 26% | 0.257 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -50.7 | 134.4 | 172.9 | -63.9 | 174.9 | -175.9 | 169.3 | 0 | 109.2 | D375 F760 Q766 Q767 L770 | D375-K762 HydrophobicContact CB-CG 4.33Å; D375-K762 VanDerWaalsContact CG-CE 3.4Å; D375-K762 WeakPolarHBondContact OD1-CE 3.16Å; D375-K762 IonicContact OD1-NZ 3.85Å; D375-K762 WeakPolarHBondContact OD2-CE 3.25Å; D375-K762 IonicContact OD2-NZ 3.03Å; F760-K762 PolarHBondContact O-N 3.17Å; F760-K762 VanDerWaalsContact O-N 3.07Å; K762-Q766 HydrophobicContact CB-CB 4.31Å; K762-Q767 HydrophobicContact CB-CG 3.83Å; K762-Q767 PolarHBondContact O-NE2 2.81Å; K762-L770 HydrophobicContact CD-CD1 3.67Å |
| 763 | T | 70.2 | Confident | 75.1 | Confident | 78 Ų | 78 | 89 Ų | 89 | 48% | 0.479 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -57 | 151.7 | 178.4 | 58.1 | 0 | 0 | 0 | 0 | 110.6 | R761 A765 Q766 Q767 | R761-T763 PolarHBondContact O-N 3.11Å; T763-A765 PolarHBondContact O-N 2.95Å; T763-Q766 VanDerWaalsContact N-OE1 3.11Å; T763-Q766 PolarHBondContact O-N 3.49Å; T763-Q766 WeakPolarHBondContact OG1-CB 3.3Å; T763-Q766 VanDerWaalsContact OG1-CG 3.27Å; T763-Q766 WeakPolarHBondContact OG1-CG 3.46Å; T763-Q766 PolarHBondContact OG1-N 2.86Å; T763-Q766 PolarHBondContact OG1-OE1 3.45Å; T763-Q766 VanDerWaalsContact OG1-OE1 3.06Å; T763-Q767 WeakPolarHBondContact O-CG 3.5Å; T763-Q767 PolarHBondContact O-N 2.79Å |
| 764 | K | 71.7 | Confident | 74.3 | Confident | 166 Ų | 166 | 92.9 Ų | 92.9 | 72% | 0.722 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -51.9 | -34.3 | 175.7 | -76.6 | -175 | 178.9 | 176.9 | 0 | 112.3 | R768 | K764-R768 WeakPolarHBondContact O-CB 3.14Å; K764-R768 VanDerWaalsContact O-CG 3.25Å; K764-R768 WeakPolarHBondContact O-CG 3.35Å; K764-R768 PolarHBondContact O-N 2.83Å |
| 765 | A | 70.4 | Confident | 73.7 | Confident | 73 Ų | 73 | 100.8 Ų | 100.8 | 60% | 0.603 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -66.4 | -46.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T763 R768 K769 | T763-A765 PolarHBondContact O-N 2.95Å; A765-R768 PolarHBondContact O-N 3.49Å; A765-K769 WeakPolarHBondContact O-CB 3.45Å; A765-K769 PolarHBondContact O-N 3.26Å |
| 766 | Q | 71.2 | Confident | 73.2 | Confident | 103 Ų | 103 | 106.9 Ų | 106.9 | 48% | 0.481 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 175.1 | -75.3 | 166.3 | -29.2 | 0 | 0 | 112 | K762 T763 R768 K769 L770 | K762-Q766 HydrophobicContact CB-CB 4.31Å; T763-Q766 VanDerWaalsContact N-OE1 3.11Å; T763-Q766 PolarHBondContact O-N 3.49Å; T763-Q766 WeakPolarHBondContact OG1-CB 3.3Å; T763-Q766 VanDerWaalsContact OG1-CG 3.27Å; T763-Q766 WeakPolarHBondContact OG1-CG 3.46Å; T763-Q766 PolarHBondContact OG1-N 2.86Å; T763-Q766 PolarHBondContact OG1-OE1 3.45Å; T763-Q766 VanDerWaalsContact OG1-OE1 3.06Å; Q766-R768 VanDerWaalsContact C-N 3.32Å; Q766-R768 PolarHBondContact O-N 3.48Å; Q766-K769 PolarHBondContact O-N 3Å; Q766-L770 WeakPolarHBondContact O-CB 3.25Å; Q766-L770 WeakPolarHBondContact O-CG 3.28Å; Q766-L770 PolarHBondContact O-N 2.62Å |
| 767 | Q | 70.5 | Confident | 72.7 | Confident | 101 Ų | 101 | 108.9 Ų | 108.9 | 47% | 0.472 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.2 | -46 | 174.6 | -72.3 | 179.9 | -13.7 | 0 | 0 | 110.9 | K762 T763 A771 | K762-Q767 HydrophobicContact CB-CG 3.83Å; K762-Q767 PolarHBondContact O-NE2 2.81Å; T763-Q767 WeakPolarHBondContact O-CG 3.5Å; T763-Q767 PolarHBondContact O-N 2.79Å; Q767-A771 WeakPolarHBondContact O-CB 3.5Å; Q767-A771 PolarHBondContact O-N 3.39Å |
| 768 | R | 72.6 | Confident | 72.2 | Confident | 181 Ų | 181 | 110.1 Ų | 110.1 | 68% | 0.683 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.3 | -41.5 | 175.1 | -75.8 | 175.4 | 179.2 | -171.1 | -0.7 | 112.8 | K764 A765 Q766 A771 M772 | K764-R768 WeakPolarHBondContact O-CB 3.14Å; K764-R768 VanDerWaalsContact O-CG 3.25Å; K764-R768 WeakPolarHBondContact O-CG 3.35Å; K764-R768 PolarHBondContact O-N 2.83Å; A765-R768 PolarHBondContact O-N 3.49Å; Q766-R768 VanDerWaalsContact C-N 3.32Å; Q766-R768 PolarHBondContact O-N 3.48Å; R768-A771 PolarHBondContact O-N 3.36Å; R768-M772 WeakPolarHBondContact O-CB 3.03Å; R768-M772 PolarHBondContact O-N 3.2Å |
| 769 | K | 75.7 | Confident | 72.1 | Confident | 164 Ų | 164 | 111.7 Ų | 111.7 | 71% | 0.713 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64 | -44.3 | 178.8 | -171.7 | 179.4 | 179.4 | -178.1 | 0 | 111.4 | A765 Q766 M772 Y773 | A765-K769 WeakPolarHBondContact O-CB 3.45Å; A765-K769 PolarHBondContact O-N 3.26Å; Q766-K769 PolarHBondContact O-N 3Å; K769-M772 PolarHBondContact O-N 3.18Å; K769-Y773 WeakPolarHBondContact O-CB 3.13Å; K769-Y773 PolarHBondContact O-N 3.46Å |
| 770 | L | 70.5 | Confident | 71.9 | Confident | 75 Ų | 75 | 112.4 Ų | 112.4 | 39% | 0.393 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.9 | -44.2 | 173.7 | -77 | 161.8 | 0 | 0 | 0 | 111.2 | K762 Q766 M772 Y773 N774 | K762-L770 HydrophobicContact CD-CD1 3.67Å; Q766-L770 WeakPolarHBondContact O-CB 3.25Å; Q766-L770 WeakPolarHBondContact O-CG 3.28Å; Q766-L770 PolarHBondContact O-N 2.62Å; L770-M772 PolarHBondContact O-N 3.09Å; L770-Y773 PolarHBondContact O-N 3.22Å; L770-N774 VanDerWaalsContact O-CB 3.29Å; L770-N774 WeakPolarHBondContact O-CB 3.49Å; L770-N774 PolarHBondContact O-N 2.89Å |
| 771 | A | 73.9 | Confident | 72 | Confident | 58 Ų | 58 | 110.4 Ų | 110.4 | 48% | 0.479 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q767 R768 W775 | Q767-A771 WeakPolarHBondContact O-CB 3.5Å; Q767-A771 PolarHBondContact O-N 3.39Å; R768-A771 PolarHBondContact O-N 3.36Å; A771-W775 WeakPolarHBondContact O-CB 3.48Å; A771-W775 PolarHBondContact O-N 2.84Å |
| 772 | M | 73.7 | Confident | 72.3 | Confident | 126 Ų | 126 | 104.7 Ų | 104.7 | 62% | 0.621 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.7 | -41.9 | 174 | -84.3 | -169.7 | -176.9 | 0 | 0 | 112.4 | R768 K769 L770 W775 K776 | R768-M772 WeakPolarHBondContact O-CB 3.03Å; R768-M772 PolarHBondContact O-N 3.2Å; K769-M772 PolarHBondContact O-N 3.18Å; L770-M772 PolarHBondContact O-N 3.09Å; M772-W775 PolarHBondContact O-N 2.9Å; M772-K776 WeakPolarHBondContact O-CB 3.49Å; M772-K776 WeakPolarHBondContact O-CG 3.49Å; M772-K776 PolarHBondContact O-N 3.33Å |
| 773 | Y | 75.8 | Confident | 72.7 | Confident | 152 Ų | 152 | 105 Ų | 105 | 60% | 0.596 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.1 | -50.6 | 175.7 | 176.2 | -98.1 | 0 | 0 | 0 | 110.3 | K769 L770 W775 K776 V777 | K769-Y773 WeakPolarHBondContact O-CB 3.13Å; K769-Y773 PolarHBondContact O-N 3.46Å; L770-Y773 PolarHBondContact O-N 3.22Å; Y773-W775 VanDerWaalsContact C-N 3.29Å; Y773-W775 PolarHBondContact O-N 2.76Å; Y773-K776 PolarHBondContact O-N 3.25Å; Y773-V777 HydrophobicContact CD1-CG2 4.3Å; Y773-V777 HydrophobicContact CE1-CG2 3.92Å; Y773-V777 HydrophobicContact CE2-CG2 4.15Å; Y773-V777 WeakPolarHBondContact O-CG2 3.48Å; Y773-V777 PolarHBondContact O-N 3.42Å |
| 774 | N | 71.5 | Confident | 72.7 | Confident | 81 Ų | 81 | 110.1 Ų | 110.1 | 43% | 0.433 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.3 | -38.9 | 176.5 | -70.5 | -6.1 | 0 | 0 | 0 | 111.6 | L770 N778 | L770-N774 VanDerWaalsContact O-CB 3.29Å; L770-N774 WeakPolarHBondContact O-CB 3.49Å; L770-N774 PolarHBondContact O-N 2.89Å; N774-N778 WeakPolarHBondContact O-CB 3.39Å; N774-N778 PolarHBondContact O-N 2.83Å; N774-N778 PolarHBondContact O-ND2 3.49Å |
| 775 | W | 76.8 | Confident | 72.6 | Confident | 166 Ų | 166 | 106 Ų | 106 | 63% | 0.629 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.8 | -47.4 | 174.8 | 179.8 | 80.7 | 0 | 0 | 0 | 111.7 | A771 M772 Y773 V777 N778 V779 | A771-W775 WeakPolarHBondContact O-CB 3.48Å; A771-W775 PolarHBondContact O-N 2.84Å; M772-W775 PolarHBondContact O-N 2.9Å; Y773-W775 VanDerWaalsContact C-N 3.29Å; Y773-W775 PolarHBondContact O-N 2.76Å; W775-V777 PolarHBondContact O-N 3.24Å; W775-N778 PolarHBondContact O-N 3.3Å; W775-V779 HydrophobicContact CD2-CG2 3.92Å; W775-V779 HydrophobicContact CE3-CG2 4.39Å; W775-V779 HydrophobicContact CG-CG2 4.38Å; W775-V779 HydrophobicContact CH2-CG2 4.27Å; W775-V779 HydrophobicContact CZ2-CG2 3.79Å; W775-V779 WeakPolarHBondContact O-CB 3.33Å; W775-V779 VanDerWaalsContact O-CG2 3.27Å; W775-V779 WeakPolarHBondContact O-CG2 3.22Å; W775-V779 PolarHBondContact O-N 2.74Å |
| 776 | K | 76.5 | Confident | 72.6 | Confident | 127 Ų | 127 | 110.4 Ų | 110.4 | 55% | 0.552 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60 | -44 | 176.7 | -77.9 | -178 | 179.8 | -174.5 | 0 | 112.1 | M772 Y773 V779 Q780 | M772-K776 WeakPolarHBondContact O-CB 3.49Å; M772-K776 WeakPolarHBondContact O-CG 3.49Å; M772-K776 PolarHBondContact O-N 3.33Å; Y773-K776 PolarHBondContact O-N 3.25Å; K776-V779 PolarHBondContact O-N 2.93Å; K776-Q780 WeakPolarHBondContact O-CB 3.34Å; K776-Q780 PolarHBondContact O-N 2.83Å |
| 777 | V | 73.3 | Confident | 72.7 | Confident | 53 Ų | 53 | 108.2 Ų | 108.2 | 32% | 0.321 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.3 | -47.7 | 175.9 | 172.1 | 0 | 0 | 0 | 0 | 109.7 | Y773 W775 V779 Q780 L781 | Y773-V777 HydrophobicContact CD1-CG2 4.3Å; Y773-V777 HydrophobicContact CE1-CG2 3.92Å; Y773-V777 HydrophobicContact CE2-CG2 4.15Å; Y773-V777 WeakPolarHBondContact O-CG2 3.48Å; Y773-V777 PolarHBondContact O-N 3.42Å; W775-V777 PolarHBondContact O-N 3.24Å; V777-V779 PolarHBondContact O-N 2.9Å; V777-Q780 PolarHBondContact O-N 3.42Å; V777-L781 VanDerWaalsContact O-CB 3.3Å; V777-L781 WeakPolarHBondContact O-CB 3.46Å; V777-L781 PolarHBondContact O-N 3.04Å |
| 778 | N | 72.1 | Confident | 72.7 | Confident | 60 Ų | 60 | 108.5 Ų | 108.5 | 32% | 0.321 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62 | -40.6 | 176.6 | -82.2 | -60.3 | 0 | 0 | 0 | 112.5 | N774 W775 L781 Q782 R841 | N774-N778 WeakPolarHBondContact O-CB 3.39Å; N774-N778 PolarHBondContact O-N 2.83Å; N774-N778 PolarHBondContact O-ND2 3.49Å; W775-N778 PolarHBondContact O-N 3.3Å; N778-L781 PolarHBondContact O-N 3.11Å; N778-Q782 WeakPolarHBondContact O-CB 3.47Å; N778-Q782 WeakPolarHBondContact O-CG 3.37Å; N778-Q782 PolarHBondContact O-N 3.26Å; N778-R841 PolarHBondContact OD1-NH1 3.07Å |
| 779 | V | 75.6 | Confident | 72.5 | Confident | 59 Ų | 59 | 102.8 Ų | 102.8 | 36% | 0.358 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 176.9 | 170 | 0 | 0 | 0 | 0 | 111.2 | W775 K776 V777 L781 Q782 S783 | W775-V779 HydrophobicContact CD2-CG2 3.92Å; W775-V779 HydrophobicContact CE3-CG2 4.39Å; W775-V779 HydrophobicContact CG-CG2 4.38Å; W775-V779 HydrophobicContact CH2-CG2 4.27Å; W775-V779 HydrophobicContact CZ2-CG2 3.79Å; W775-V779 WeakPolarHBondContact O-CB 3.33Å; W775-V779 VanDerWaalsContact O-CG2 3.27Å; W775-V779 WeakPolarHBondContact O-CG2 3.22Å; W775-V779 PolarHBondContact O-N 2.74Å; K776-V779 PolarHBondContact O-N 2.93Å; V777-V779 PolarHBondContact O-N 2.9Å; V779-L781 VanDerWaalsContact C-N 3.34Å; V779-Q782 PolarHBondContact O-N 3.37Å; V779-S783 WeakPolarHBondContact O-CB 3.47Å; V779-S783 PolarHBondContact O-N 3.07Å; V779-S783 PolarHBondContact O-OG 3.39Å |
| 780 | Q | 71.8 | Confident | 72.3 | Confident | 127 Ų | 127 | 102.5 Ų | 102.5 | 59% | 0.593 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.9 | -37.6 | 174.1 | -86.6 | -177.7 | -25.6 | 0 | 0 | 112.5 | K776 V777 S783 R784 | K776-Q780 WeakPolarHBondContact O-CB 3.34Å; K776-Q780 PolarHBondContact O-N 2.83Å; V777-Q780 PolarHBondContact O-N 3.42Å; Q780-S783 WeakPolarHBondContact CA-OG 3.42Å; Q780-S783 PolarHBondContact O-N 2.94Å; Q780-S783 PolarHBondContact O-OG 2.87Å; Q780-R784 WeakPolarHBondContact O-CB 3.27Å; Q780-R784 VanDerWaalsContact O-CG 3.3Å; Q780-R784 WeakPolarHBondContact O-CG 3.33Å; Q780-R784 PolarHBondContact O-N 3.33Å |
| 781 | L | 72.3 | Confident | 72.5 | Confident | 70 Ų | 70 | 103.3 Ų | 103.3 | 37% | 0.366 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.4 | -42.3 | 177.7 | -146.6 | 137.6 | 0 | 0 | 0 | 109.8 | V777 N778 V779 R784 V785 | V777-L781 VanDerWaalsContact O-CB 3.3Å; V777-L781 WeakPolarHBondContact O-CB 3.46Å; V777-L781 PolarHBondContact O-N 3.04Å; N778-L781 PolarHBondContact O-N 3.11Å; V779-L781 VanDerWaalsContact C-N 3.34Å; L781-R784 PolarHBondContact O-N 3.42Å; L781-V785 HydrophobicContact CD2-CG2 4.33Å; L781-V785 WeakPolarHBondContact O-CB 3.34Å; L781-V785 WeakPolarHBondContact O-CG2 3.25Å; L781-V785 PolarHBondContact O-N 2.89Å |
| 782 | Q | 68.5 | Low | 72.4 | Confident | 120 Ų | 120 | 103.2 Ų | 103.2 | 56% | 0.561 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.2 | -42.4 | 172.8 | -77 | -167.9 | -11.7 | 0 | 0 | 112.9 | N778 V779 V785 R786 | N778-Q782 WeakPolarHBondContact O-CB 3.47Å; N778-Q782 WeakPolarHBondContact O-CG 3.37Å; N778-Q782 PolarHBondContact O-N 3.26Å; V779-Q782 PolarHBondContact O-N 3.37Å; Q782-V785 PolarHBondContact O-N 3.24Å; Q782-R786 WeakPolarHBondContact O-CB 3.4Å; Q782-R786 WeakPolarHBondContact O-CG 3.36Å; Q782-R786 PolarHBondContact O-N 2.91Å |
| 783 | S | 72.1 | Confident | 72.4 | Confident | 64 Ų | 64 | 102.9 Ų | 102.9 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.7 | -38.4 | 178.1 | 70.8 | 0 | 0 | 0 | 0 | 111.8 | V779 Q780 R786 A787 | V779-S783 WeakPolarHBondContact O-CB 3.47Å; V779-S783 PolarHBondContact O-N 3.07Å; V779-S783 PolarHBondContact O-OG 3.39Å; Q780-S783 WeakPolarHBondContact CA-OG 3.42Å; Q780-S783 PolarHBondContact O-N 2.94Å; Q780-S783 PolarHBondContact O-OG 2.87Å; S783-R786 PolarHBondContact O-N 2.86Å; S783-A787 WeakPolarHBondContact O-CB 3.18Å; S783-A787 PolarHBondContact O-N 3.41Å |
| 784 | R | 71 | Confident | 72.3 | Confident | 186 Ų | 186 | 102 Ų | 102 | 70% | 0.702 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.1 | -43.6 | 172 | -78.9 | 179.6 | 165.4 | -175.8 | -2 | 112.2 | Q780 L781 A787 L788 | Q780-R784 WeakPolarHBondContact O-CB 3.27Å; Q780-R784 VanDerWaalsContact O-CG 3.3Å; Q780-R784 WeakPolarHBondContact O-CG 3.33Å; Q780-R784 PolarHBondContact O-N 3.33Å; L781-R784 PolarHBondContact O-N 3.42Å; R784-A787 PolarHBondContact O-N 2.85Å; R784-L788 VanDerWaalsContact O-CB 3.29Å; R784-L788 WeakPolarHBondContact O-CB 3.24Å; R784-L788 VanDerWaalsContact O-CG 3.28Å; R784-L788 WeakPolarHBondContact O-CG 3.41Å; R784-L788 PolarHBondContact O-N 3.33Å |
| 785 | V | 69.6 | Low | 72.5 | Confident | 81 Ų | 81 | 104.1 Ų | 104.1 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 175.9 | 169.6 | 0 | 0 | 0 | 0 | 110.4 | L781 Q782 L788 S789 | L781-V785 HydrophobicContact CD2-CG2 4.33Å; L781-V785 WeakPolarHBondContact O-CB 3.34Å; L781-V785 WeakPolarHBondContact O-CG2 3.25Å; L781-V785 PolarHBondContact O-N 2.89Å; Q782-V785 PolarHBondContact O-N 3.24Å; V785-L788 PolarHBondContact O-N 3.45Å; V785-S789 WeakPolarHBondContact O-CB 3.27Å; V785-S789 PolarHBondContact O-N 3.21Å; V785-S789 PolarHBondContact O-OG 3.22Å |
| 786 | R | 70.4 | Confident | 72.3 | Confident | 164 Ų | 164 | 98.6 Ų | 98.6 | 62% | 0.619 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.4 | -51.6 | 173.9 | -75.3 | -179.7 | -177.1 | 178.9 | 2 | 111.6 | Q782 S783 L788 S789 Y790 | Q782-R786 WeakPolarHBondContact O-CB 3.4Å; Q782-R786 WeakPolarHBondContact O-CG 3.36Å; Q782-R786 PolarHBondContact O-N 2.91Å; S783-R786 PolarHBondContact O-N 2.86Å; R786-L788 VanDerWaalsContact C-N 3.35Å; R786-L788 PolarHBondContact O-N 2.65Å; R786-S789 WeakPolarHBondContact CA-OG 3.47Å; R786-S789 PolarHBondContact O-N 3.43Å; R786-S789 VanDerWaalsContact O-N 3.11Å; R786-S789 PolarHBondContact O-OG 2.91Å; R786-Y790 WeakPolarHBondContact O-CD2 3.32Å; R786-Y790 PolarHBondContact O-N 3.41Å |
| 787 | A | 73.2 | Confident | 72.4 | Confident | 57 Ų | 57 | 99.1 Ų | 99.1 | 47% | 0.471 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.7 | -43.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S783 R784 S789 Y790 L791 | S783-A787 WeakPolarHBondContact O-CB 3.18Å; S783-A787 PolarHBondContact O-N 3.41Å; R784-A787 PolarHBondContact O-N 2.85Å; A787-S789 VanDerWaalsContact C-N 3.34Å; A787-S789 PolarHBondContact O-N 2.9Å; A787-Y790 PolarHBondContact O-N 2.74Å; A787-L791 WeakPolarHBondContact O-CB 3.34Å; A787-L791 PolarHBondContact O-N 2.79Å |
| 788 | L | 70.6 | Confident | 72.5 | Confident | 107 Ų | 107 | 103.1 Ų | 103.1 | 56% | 0.56 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.9 | -41.8 | 174.3 | -76.6 | 170.1 | 0 | 0 | 0 | 111.6 | R784 V785 R786 L791 L792 | R784-L788 VanDerWaalsContact O-CB 3.29Å; R784-L788 WeakPolarHBondContact O-CB 3.24Å; R784-L788 VanDerWaalsContact O-CG 3.28Å; R784-L788 WeakPolarHBondContact O-CG 3.41Å; R784-L788 PolarHBondContact O-N 3.33Å; V785-L788 PolarHBondContact O-N 3.45Å; R786-L788 VanDerWaalsContact C-N 3.35Å; R786-L788 PolarHBondContact O-N 2.65Å; L788-L791 PolarHBondContact O-N 3.27Å; L788-L792 WeakPolarHBondContact O-CB 3.21Å; L788-L792 PolarHBondContact O-N 3.35Å |
| 789 | S | 67.4 | Low | 72.6 | Confident | 61 Ų | 61 | 105.5 Ų | 105.5 | 43% | 0.427 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 177.2 | 76.3 | 0 | 0 | 0 | 0 | 111.9 | V785 R786 A787 L792 L793 | V785-S789 WeakPolarHBondContact O-CB 3.27Å; V785-S789 PolarHBondContact O-N 3.21Å; V785-S789 PolarHBondContact O-OG 3.22Å; R786-S789 WeakPolarHBondContact CA-OG 3.47Å; R786-S789 PolarHBondContact O-N 3.43Å; R786-S789 VanDerWaalsContact O-N 3.11Å; R786-S789 PolarHBondContact O-OG 2.91Å; A787-S789 VanDerWaalsContact C-N 3.34Å; A787-S789 PolarHBondContact O-N 2.9Å; S789-L792 PolarHBondContact O-N 3.44Å; S789-L793 WeakPolarHBondContact O-CB 3.34Å; S789-L793 PolarHBondContact O-N 3.05Å |
| 790 | Y | 71.6 | Confident | 72.6 | Confident | 159 Ų | 159 | 105.7 Ų | 105.7 | 62% | 0.624 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.3 | -42.6 | 174.7 | -84.4 | -71.8 | 0 | 0 | 0 | 111.7 | R786 A787 L792 L793 Q794 | R786-Y790 WeakPolarHBondContact O-CD2 3.32Å; R786-Y790 PolarHBondContact O-N 3.41Å; A787-Y790 PolarHBondContact O-N 2.74Å; Y790-L792 VanDerWaalsContact C-N 3.35Å; Y790-L793 WeakPolarHBondContact O-CB 3.46Å; Y790-L793 PolarHBondContact O-N 3.39Å; Y790-Q794 WeakPolarHBondContact O-CG 3.27Å; Y790-Q794 PolarHBondContact O-N 3.14Å |
| 791 | L | 74.7 | Confident | 72.9 | Confident | 92 Ų | 92 | 103 Ų | 103 | 48% | 0.482 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.5 | -35.3 | -179.3 | -148.4 | 141.6 | 0 | 0 | 0 | 111.4 | A787 L788 K795 | A787-L791 WeakPolarHBondContact O-CB 3.34Å; A787-L791 PolarHBondContact O-N 2.79Å; L788-L791 PolarHBondContact O-N 3.27Å; L791-K795 HydrophobicContact CD2-CD 4.41Å; L791-K795 WeakPolarHBondContact O-CG 3.36Å; L791-K795 PolarHBondContact O-N 3.37Å |
| 792 | L | 71.5 | Confident | 73.2 | Confident | 55 Ų | 55 | 104.1 Ų | 104.1 | 29% | 0.288 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64 | -46 | 168.8 | -115 | 158.2 | 0 | 0 | 0 | 111.1 | L788 S789 Y790 Q794 K795 L796 | L788-L792 WeakPolarHBondContact O-CB 3.21Å; L788-L792 PolarHBondContact O-N 3.35Å; S789-L792 PolarHBondContact O-N 3.44Å; Y790-L792 VanDerWaalsContact C-N 3.35Å; L792-Q794 VanDerWaalsContact C-N 3.33Å; L792-Q794 PolarHBondContact O-N 3.35Å; L792-K795 PolarHBondContact O-N 3.43Å; L792-L796 HydrophobicContact CD2-CD1 4.15Å; L792-L796 HydrophobicContact CD2-CG 4.32Å; L792-L796 WeakPolarHBondContact O-CB 3.4Å; L792-L796 VanDerWaalsContact O-CG 3.3Å; L792-L796 WeakPolarHBondContact O-CG 3.4Å; L792-L796 PolarHBondContact O-N 2.89Å |
| 793 | L | 73.7 | Confident | 73.5 | Confident | 119 Ų | 119 | 99.5 Ų | 99.5 | 62% | 0.623 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.1 | -41.1 | 179.3 | -152.3 | 114.6 | 0 | 0 | 0 | 111.4 | S789 Y790 L796 F797 | S789-L793 WeakPolarHBondContact O-CB 3.34Å; S789-L793 PolarHBondContact O-N 3.05Å; Y790-L793 WeakPolarHBondContact O-CB 3.46Å; Y790-L793 PolarHBondContact O-N 3.39Å; L793-L796 PolarHBondContact O-N 3.15Å; L793-F797 VanDerWaalsContact O-CB 3.25Å; L793-F797 WeakPolarHBondContact O-CB 3.41Å; L793-F797 PolarHBondContact O-N 2.98Å |
| 794 | Q | 74.9 | Confident | 73.7 | Confident | 133 Ų | 133 | 100 Ų | 100 | 62% | 0.621 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.1 | -43.5 | 173.8 | -76.3 | -177.7 | -7.5 | 0 | 0 | 112.4 | Y790 L792 F797 K798 | Y790-Q794 WeakPolarHBondContact O-CG 3.27Å; Y790-Q794 PolarHBondContact O-N 3.14Å; L792-Q794 VanDerWaalsContact C-N 3.33Å; L792-Q794 PolarHBondContact O-N 3.35Å; Q794-F797 PolarHBondContact O-N 3.31Å; Q794-K798 WeakPolarHBondContact O-CB 3.44Å; Q794-K798 PolarHBondContact O-N 2.84Å |
| 795 | K | 74.3 | Confident | 74.1 | Confident | 127 Ų | 127 | 102.1 Ų | 102.1 | 55% | 0.552 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.4 | -43.5 | 175.9 | -79.7 | -178 | 176.1 | -175.9 | 0 | 112 | L791 L792 K798 R799 | L791-K795 HydrophobicContact CD2-CD 4.41Å; L791-K795 WeakPolarHBondContact O-CG 3.36Å; L791-K795 PolarHBondContact O-N 3.37Å; L792-K795 PolarHBondContact O-N 3.43Å; K795-K798 PolarHBondContact O-N 3.11Å; K795-R799 WeakPolarHBondContact O-CB 3.36Å; K795-R799 PolarHBondContact O-N 3.44Å |
| 796 | L | 73.7 | Confident | 74.5 | Confident | 50 Ų | 50 | 105.9 Ų | 105.9 | 26% | 0.262 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 176 | -73.9 | 172.2 | 0 | 0 | 0 | 110.9 | L792 L793 R799 F800 W821 A822 | L792-L796 HydrophobicContact CD2-CD1 4.15Å; L792-L796 HydrophobicContact CD2-CG 4.32Å; L792-L796 WeakPolarHBondContact O-CB 3.4Å; L792-L796 VanDerWaalsContact O-CG 3.3Å; L792-L796 WeakPolarHBondContact O-CG 3.4Å; L792-L796 PolarHBondContact O-N 2.89Å; L793-L796 PolarHBondContact O-N 3.15Å; L796-R799 PolarHBondContact O-N 2.99Å; L796-F800 WeakPolarHBondContact O-CB 3.34Å; L796-F800 PolarHBondContact O-N 3.31Å; L796-W821 HydrophobicContact CB-CH2 3.89Å; L796-W821 HydrophobicContact CB-CZ3 4.43Å; L796-W821 HydrophobicContact CD2-CH2 4.1Å; L796-W821 HydrophobicContact CD2-CZ2 4.41Å; L796-W821 HydrophobicContact CD2-CZ3 4.34Å; L796-W821 WeakPolarHBondContact O-CZ3 3.49Å; L796-A822 HydrophobicContact CD2-CB 4.4Å |
| 797 | F | 77.2 | Confident | 75 | Confident | 137 Ų | 137 | 102.6 Ų | 102.6 | 60% | 0.601 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.9 | -45 | 176.4 | -176.2 | -102.3 | 0 | 0 | 0 | 112.2 | L793 Q794 R799 F800 V801 | L793-F797 VanDerWaalsContact O-CB 3.25Å; L793-F797 WeakPolarHBondContact O-CB 3.41Å; L793-F797 PolarHBondContact O-N 2.98Å; Q794-F797 PolarHBondContact O-N 3.31Å; F797-R799 VanDerWaalsContact C-N 3.32Å; F797-R799 PolarHBondContact O-N 2.94Å; F797-F800 WeakPolarHBondContact O-CB 3.31Å; F797-F800 PolarHBondContact O-N 2.78Å; F797-V801 HydrophobicContact CD1-CG2 4.38Å; F797-V801 HydrophobicContact CE1-CG2 4Å; F797-V801 HydrophobicContact CZ-CG2 4.12Å; F797-V801 WeakPolarHBondContact O-CG2 2.9Å; F797-V801 PolarHBondContact O-N 3.25Å |
| 798 | K | 76 | Confident | 75.3 | Confident | 137 Ų | 137 | 101 Ų | 101 | 60% | 0.596 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.2 | -43.4 | 175.7 | -172.1 | 177.3 | 177.9 | -179.3 | 0 | 111.5 | Q794 K795 F800 V801 E802 | Q794-K798 WeakPolarHBondContact O-CB 3.44Å; Q794-K798 PolarHBondContact O-N 2.84Å; K795-K798 PolarHBondContact O-N 3.11Å; K798-F800 VanDerWaalsContact C-N 3.34Å; K798-F800 PolarHBondContact O-N 3.25Å; K798-V801 PolarHBondContact O-N 3.43Å; K798-E802 WeakPolarHBondContact CE-OE1 3.4Å; K798-E802 WeakPolarHBondContact O-CG 3.25Å; K798-E802 PolarHBondContact O-N 2.99Å |
| 799 | R | 73.9 | Confident | 75.8 | Confident | 111 Ų | 111 | 100.1 Ų | 100.1 | 42% | 0.419 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.6 | -35.5 | 176.9 | -166.4 | 163.2 | -171.6 | 160 | 5.4 | 112.6 | K795 L796 F797 E802 I803 | K795-R799 WeakPolarHBondContact O-CB 3.36Å; K795-R799 PolarHBondContact O-N 3.44Å; L796-R799 PolarHBondContact O-N 2.99Å; F797-R799 VanDerWaalsContact C-N 3.32Å; F797-R799 PolarHBondContact O-N 2.94Å; R799-E802 PolarHBondContact O-N 2.8Å; R799-I803 HydrophobicContact CG-CD1 4.2Å; R799-I803 VanDerWaalsContact O-CG1 3.26Å; R799-I803 WeakPolarHBondContact O-CG1 3.22Å; R799-I803 PolarHBondContact O-N 3.19Å |
| 800 | F | 77.1 | Confident | 76.3 | Confident | 62 Ų | 62 | 104.8 Ų | 104.8 | 27% | 0.272 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 171.7 | 172.4 | -97.4 | 0 | 0 | 0 | 111.2 | L796 F797 K798 E802 I803 H804 T812 L816 W821 | L796-F800 WeakPolarHBondContact O-CB 3.34Å; L796-F800 PolarHBondContact O-N 3.31Å; F797-F800 WeakPolarHBondContact O-CB 3.31Å; F797-F800 PolarHBondContact O-N 2.78Å; K798-F800 VanDerWaalsContact C-N 3.34Å; K798-F800 PolarHBondContact O-N 3.25Å; F800-E802 PolarHBondContact O-N 2.8Å; F800-I803 PolarHBondContact O-N 3.01Å; F800-H804 WeakPolarHBondContact O-CB 3.34Å; F800-H804 PolarHBondContact O-N 3.15Å; F800-T812 HydrophobicContact CD2-CG2 3.94Å; F800-T812 HydrophobicContact CE2-CG2 3.58Å; F800-T812 HydrophobicContact CZ-CG2 4.29Å; F800-L816 HydrophobicContact CD2-CD1 3.56Å; F800-L816 HydrophobicContact CE2-CD1 3.76Å; F800-W821 HydrophobicContact CB-CH2 4.25Å; F800-W821 HydrophobicContact CB-CZ3 3.78Å |
| 801 | V | 77.5 | Confident | 76.5 | Confident | 71 Ų | 71 | 102.6 Ų | 102.6 | 43% | 0.43 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 177.2 | 173.8 | 0 | 0 | 0 | 0 | 111.7 | F797 K798 H804 R805 | F797-V801 HydrophobicContact CD1-CG2 4.38Å; F797-V801 HydrophobicContact CE1-CG2 4Å; F797-V801 HydrophobicContact CZ-CG2 4.12Å; F797-V801 WeakPolarHBondContact O-CG2 2.9Å; F797-V801 PolarHBondContact O-N 3.25Å; K798-V801 PolarHBondContact O-N 3.43Å; V801-H804 PolarHBondContact O-N 3.19Å; V801-R805 WeakPolarHBondContact O-CB 3.27Å; V801-R805 PolarHBondContact O-N 2.9Å |
| 802 | E | 77.6 | Confident | 76.4 | Confident | 94 Ų | 94 | 98.4 Ų | 98.4 | 44% | 0.439 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.5 | -48.1 | 175.1 | -74.2 | 167.4 | -172.7 | 0 | 0 | 111.7 | K798 R799 F800 H804 R805 E806 | K798-E802 WeakPolarHBondContact CE-OE1 3.4Å; K798-E802 WeakPolarHBondContact O-CG 3.25Å; K798-E802 PolarHBondContact O-N 2.99Å; R799-E802 PolarHBondContact O-N 2.8Å; F800-E802 PolarHBondContact O-N 2.8Å; E802-H804 VanDerWaalsContact C-N 3.34Å; E802-H804 PolarHBondContact O-N 2.99Å; E802-R805 PolarHBondContact O-N 3.49Å; E802-E806 WeakPolarHBondContact O-CG 3.46Å; E802-E806 PolarHBondContact O-N 3.09Å |
| 803 | I | 75.3 | Confident | 76.5 | Confident | 22 Ų | 22 | 103.7 Ų | 103.7 | 11% | 0.113 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 177.1 | -65.8 | 166.7 | 0 | 0 | 0 | 110.8 | R799 F800 R805 E806 K807 T812 L815 W821 | R799-I803 HydrophobicContact CG-CD1 4.2Å; R799-I803 VanDerWaalsContact O-CG1 3.26Å; R799-I803 WeakPolarHBondContact O-CG1 3.22Å; R799-I803 PolarHBondContact O-N 3.19Å; F800-I803 PolarHBondContact O-N 3.01Å; I803-R805 PolarHBondContact O-N 3.08Å; I803-E806 PolarHBondContact O-N 2.84Å; I803-K807 HydrophobicContact CG2-CD 4.25Å; I803-K807 WeakPolarHBondContact O-CB 3.34Å; I803-K807 PolarHBondContact O-N 3Å; I803-T812 HydrophobicContact CB-CG2 4.48Å; I803-T812 HydrophobicContact CG2-CG2 3.93Å; I803-T812 PolarHBondContact O-OG1 3.31Å; I803-L815 HydrophobicContact CD1-CD2 4.19Å; I803-L815 HydrophobicContact CG2-CD2 4.22Å; I803-W821 HydrophobicContact CD1-CE3 4.47Å |
| 804 | H | 77.2 | Confident | 76.5 | Confident | 76 Ų | 76 | 103.3 Ų | 103.3 | 35% | 0.352 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.4 | -35.8 | 177.2 | -164.4 | -9.6 | 0 | 0 | 0 | 112.1 | F800 V801 E802 G808 P809 T812 | F800-H804 WeakPolarHBondContact O-CB 3.34Å; F800-H804 PolarHBondContact O-N 3.15Å; V801-H804 PolarHBondContact O-N 3.19Å; E802-H804 VanDerWaalsContact C-N 3.34Å; E802-H804 PolarHBondContact O-N 2.99Å; H804-G808 WeakPolarHBondContact O-CA 3.31Å; H804-G808 PolarHBondContact O-N 3.29Å; H804-G808 VanDerWaalsContact O-N 3.1Å; H804-P809 WeakPolarHBondContact CE1-CA 3.28Å; H804-P809 VanDerWaalsContact CE1-CB 3.49Å; H804-P809 WeakPolarHBondContact CE1-CB 3.08Å; H804-T812 VanDerWaalsContact CA-OG1 3.28Å; H804-T812 WeakPolarHBondContact CA-OG1 3.29Å; H804-T812 HydrophobicContact CB-CG2 4.14Å |
| 805 | R | 77.7 | Confident | 76.3 | Confident | 229 Ų | 229 | 99.1 Ų | 99.1 | 86% | 0.864 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -74 | -38.6 | 176.6 | -165.9 | 178.3 | -174.3 | -178 | 1.7 | 112.8 | V801 E802 I803 | V801-R805 WeakPolarHBondContact O-CB 3.27Å; V801-R805 PolarHBondContact O-N 2.9Å; E802-R805 PolarHBondContact O-N 3.49Å; I803-R805 PolarHBondContact O-N 3.08Å |
| 806 | E | 79.6 | Confident | 75.9 | Confident | 161 Ų | 161 | 96.5 Ų | 96.5 | 75% | 0.752 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -76.1 | -40.1 | -179.3 | -74.4 | 179.9 | 176.2 | 0 | 0 | 113.3 | E802 I803 | E802-E806 WeakPolarHBondContact O-CG 3.46Å; E802-E806 PolarHBondContact O-N 3.09Å; I803-E806 PolarHBondContact O-N 2.84Å |
| 807 | K | 80.2 | Confident | 75.5 | Confident | 95 Ų | 95 | 103.5 Ų | 103.5 | 41% | 0.413 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -111.9 | -9.3 | -168.6 | -62.5 | -165.6 | 176.3 | -165.3 | 0 | 115 | I803 E811 | I803-K807 HydrophobicContact CG2-CD 4.25Å; I803-K807 WeakPolarHBondContact O-CB 3.34Å; I803-K807 PolarHBondContact O-N 3Å; K807-E811 HydrophobicContact CB-CB 3.93Å; K807-E811 WeakPolarHBondContact CB-OE2 3.32Å |
| 808 | G | 80.7 | Confident | 75.1 | Confident | 23 Ų | 23 | 100 Ų | 100 | 24% | 0.237 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | 76.4 | 173.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | H804 T812 | H804-G808 WeakPolarHBondContact O-CA 3.31Å; H804-G808 PolarHBondContact O-N 3.29Å; H804-G808 VanDerWaalsContact O-N 3.1Å; G808-T812 WeakPolarHBondContact O-CB 3.42Å; G808-T812 PolarHBondContact O-N 2.84Å; G808-T812 PolarHBondContact O-OG1 2.86Å |
| 809 | P | 80 | Confident | 74.2 | Confident | 89 Ų | 89 | 96 Ų | 96 | 58% | 0.578 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -65.9 | -42.8 | -168 | 19.4 | -28.3 | 0 | 0 | 0 | 114.8 | H804 R813 | H804-P809 WeakPolarHBondContact CE1-CA 3.28Å; H804-P809 VanDerWaalsContact CE1-CB 3.49Å; H804-P809 WeakPolarHBondContact CE1-CB 3.08Å; P809-R813 WeakPolarHBondContact O-CB 3.42Å; P809-R813 PolarHBondContact O-N 3.19Å |
| 810 | E | 77.7 | Confident | 73.4 | Confident | 159 Ų | 159 | 95.1 Ų | 95.1 | 74% | 0.743 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -72.6 | -45.6 | -173.9 | -67.9 | -168.6 | 160.8 | 0 | 0 | 112.7 | T812 R813 N814 | E810-T812 VanDerWaalsContact C-N 3.31Å; E810-T812 PolarHBondContact O-N 3.31Å; E810-R813 WeakPolarHBondContact O-CB 3.48Å; E810-R813 PolarHBondContact O-N 3.43Å; E810-N814 PolarHBondContact O-N 3.22Å |
| 811 | E | 75.3 | Confident | 72.3 | Confident | 113 Ų | 113 | 94.9 Ų | 94.9 | 53% | 0.528 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 176.6 | -72.8 | -166.6 | 179.4 | 0 | 0 | 111.8 | K807 R813 N814 L815 | K807-E811 HydrophobicContact CB-CB 3.93Å; K807-E811 WeakPolarHBondContact CB-OE2 3.32Å; E811-R813 VanDerWaalsContact C-N 3.35Å; E811-N814 PolarHBondContact O-N 3.03Å; E811-L815 WeakPolarHBondContact O-CB 3.37Å; E811-L815 PolarHBondContact O-N 2.86Å |
| 812 | T | 73.6 | Confident | 71 | Confident | 4 Ų | 4 | 93.9 Ų | 93.9 | 3% | 0.025 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -64.3 | -42 | 176.9 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | F800 I803 H804 G808 E810 L815 L816 | F800-T812 HydrophobicContact CD2-CG2 3.94Å; F800-T812 HydrophobicContact CE2-CG2 3.58Å; F800-T812 HydrophobicContact CZ-CG2 4.29Å; I803-T812 HydrophobicContact CB-CG2 4.48Å; I803-T812 HydrophobicContact CG2-CG2 3.93Å; I803-T812 PolarHBondContact O-OG1 3.31Å; H804-T812 VanDerWaalsContact CA-OG1 3.28Å; H804-T812 WeakPolarHBondContact CA-OG1 3.29Å; H804-T812 HydrophobicContact CB-CG2 4.14Å; G808-T812 WeakPolarHBondContact O-CB 3.42Å; G808-T812 PolarHBondContact O-N 2.84Å; G808-T812 PolarHBondContact O-OG1 2.86Å; E810-T812 VanDerWaalsContact C-N 3.31Å; E810-T812 PolarHBondContact O-N 3.31Å; T812-L815 PolarHBondContact O-N 2.87Å; T812-L816 WeakPolarHBondContact O-CB 3.44Å; T812-L816 PolarHBondContact O-N 2.82Å |
| 813 | R | 73.5 | Confident | 69.6 | Low | 166 Ų | 166 | 97.2 Ų | 97.2 | 63% | 0.626 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -57.3 | -50.8 | 173.2 | -179.7 | 175.9 | 176.5 | 173.9 | 1.9 | 110.2 | P809 E810 E811 L815 L816 W817 | P809-R813 WeakPolarHBondContact O-CB 3.42Å; P809-R813 PolarHBondContact O-N 3.19Å; E810-R813 WeakPolarHBondContact O-CB 3.48Å; E810-R813 PolarHBondContact O-N 3.43Å; E811-R813 VanDerWaalsContact C-N 3.35Å; R813-L815 VanDerWaalsContact C-N 3.32Å; R813-L815 PolarHBondContact O-N 3.39Å; R813-L816 PolarHBondContact O-N 3.46Å; R813-W817 VanDerWaalsContact CG-CD1 3.49Å; R813-W817 PolarHBondContact O-N 2.69Å |
| 814 | N | 74.6 | Confident | 68 | Low | 110 Ų | 110 | 105.2 Ų | 105.2 | 59% | 0.588 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.4 | -40.1 | 178.7 | -69.1 | -16 | 0 | 0 | 0 | 112.4 | E810 E811 L816 W817 S818 | E810-N814 PolarHBondContact O-N 3.22Å; E811-N814 PolarHBondContact O-N 3.03Å; N814-L816 PolarHBondContact O-N 2.86Å; N814-W817 PolarHBondContact O-N 3.49Å; N814-S818 WeakPolarHBondContact O-CB 3.48Å; N814-S818 PolarHBondContact O-N 3.39Å |
| 815 | L | 69.1 | Low | 66.4 | Low | 45 Ų | 45 | 110.1 Ų | 110.1 | 24% | 0.236 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -64.5 | -39.6 | 176.7 | -140.3 | 92.4 | 0 | 0 | 0 | 112 | I803 E811 T812 R813 S818 W821 | I803-L815 HydrophobicContact CD1-CD2 4.19Å; I803-L815 HydrophobicContact CG2-CD2 4.22Å; E811-L815 WeakPolarHBondContact O-CB 3.37Å; E811-L815 PolarHBondContact O-N 2.86Å; T812-L815 PolarHBondContact O-N 2.87Å; R813-L815 VanDerWaalsContact C-N 3.32Å; R813-L815 PolarHBondContact O-N 3.39Å; L815-S818 PolarHBondContact O-N 2.89Å; L815-S818 PolarHBondContact O-OG 2.83Å; L815-W821 HydrophobicContact CD2-CB 3.91Å; L815-W821 HydrophobicContact CG-CB 4.45Å |
| 816 | L | 66 | Low | 64.7 | Low | 72 Ų | 72 | 103.6 Ų | 103.6 | 38% | 0.377 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.8 | -46.8 | 178.2 | -151.4 | 100.9 | 0 | 0 | 0 | 111.3 | F800 T812 R813 N814 S818 G819 W821 | F800-L816 HydrophobicContact CD2-CD1 3.56Å; F800-L816 HydrophobicContact CE2-CD1 3.76Å; T812-L816 WeakPolarHBondContact O-CB 3.44Å; T812-L816 PolarHBondContact O-N 2.82Å; R813-L816 PolarHBondContact O-N 3.46Å; N814-L816 PolarHBondContact O-N 2.86Å; L816-S818 VanDerWaalsContact C-N 3.3Å; L816-S818 PolarHBondContact O-N 2.91Å; L816-G819 PolarHBondContact O-N 3.19Å; L816-W821 HydrophobicContact CD1-CD2 4.02Å; L816-W821 HydrophobicContact CD1-CE3 4.38Å; L816-W821 HydrophobicContact CD1-CG 4.48Å; L816-W821 HydrophobicContact CD1-CH2 4.32Å; L816-W821 HydrophobicContact CD1-CZ2 3.99Å |
| 817 | W | 66.3 | Low | 62.8 | Low | 197 Ų | 197 | 103.8 Ų | 103.8 | 75% | 0.746 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.5 | -28.3 | 177.7 | -70.8 | 109 | 0 | 0 | 0 | 113 | R813 N814 G819 | R813-W817 VanDerWaalsContact CG-CD1 3.49Å; R813-W817 PolarHBondContact O-N 2.69Å; N814-W817 PolarHBondContact O-N 3.49Å; W817-G819 PolarHBondContact O-N 2.84Å |
| 818 | S | 68.3 | Low | 60.9 | Low | 64 Ų | 64 | 104.7 Ų | 104.7 | 45% | 0.448 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -11.5 | 176.1 | 77.2 | 0 | 0 | 0 | 0 | 114.1 | N814 L815 L816 T820 | N814-S818 WeakPolarHBondContact O-CB 3.48Å; N814-S818 PolarHBondContact O-N 3.39Å; L815-S818 PolarHBondContact O-N 2.89Å; L815-S818 PolarHBondContact O-OG 2.83Å; L816-S818 VanDerWaalsContact C-N 3.3Å; L816-S818 PolarHBondContact O-N 2.91Å; S818-T820 PolarHBondContact O-N 3.12Å; S818-T820 PolarHBondContact OG-N 2.64Å; S818-T820 PolarHBondContact OG-OG1 3.42Å |
| 819 | G | 57.2 | Low | 59.1 | Low | 52 Ų | 52 | 110.9 Ų | 110.9 | 54% | 0.536 | 53% | 0.533 | S | S | . | . | S | Bend | trans | 68.9 | -5.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | L816 W817 W821 | L816-G819 PolarHBondContact O-N 3.19Å; W817-G819 PolarHBondContact O-N 2.84Å; G819-W821 VanDerWaalsContact C-N 3.33Å; G819-W821 PolarHBondContact O-N 2.77Å |
| 820 | T | 57.4 | Low | 57.1 | Low | 94 Ų | 94 | 108.5 Ų | 108.5 | 58% | 0.577 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -8.8 | -174.9 | 56.5 | 0 | 0 | 0 | 0 | 114.9 | S818 A822 | S818-T820 PolarHBondContact O-N 3.12Å; S818-T820 PolarHBondContact OG-N 2.64Å; S818-T820 PolarHBondContact OG-OG1 3.42Å; T820-A822 PolarHBondContact O-N 2.97Å |
| 821 | W | 53.3 | Low | 55.3 | Low | 57 Ų | 57 | 105.2 Ų | 105.2 | 22% | 0.216 | 51% | 0.51 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -31.7 | -173.4 | 81.4 | -69.4 | 0 | 0 | 0 | 114.2 | L796 F800 I803 L815 L816 G819 K823 | L796-W821 HydrophobicContact CB-CH2 3.89Å; L796-W821 HydrophobicContact CB-CZ3 4.43Å; L796-W821 HydrophobicContact CD2-CH2 4.1Å; L796-W821 HydrophobicContact CD2-CZ2 4.41Å; L796-W821 HydrophobicContact CD2-CZ3 4.34Å; L796-W821 WeakPolarHBondContact O-CZ3 3.49Å; F800-W821 HydrophobicContact CB-CH2 4.25Å; F800-W821 HydrophobicContact CB-CZ3 3.78Å; I803-W821 HydrophobicContact CD1-CE3 4.47Å; L815-W821 HydrophobicContact CD2-CB 3.91Å; L815-W821 HydrophobicContact CG-CB 4.45Å; L816-W821 HydrophobicContact CD1-CD2 4.02Å; L816-W821 HydrophobicContact CD1-CE3 4.38Å; L816-W821 HydrophobicContact CD1-CG 4.48Å; L816-W821 HydrophobicContact CD1-CH2 4.32Å; L816-W821 HydrophobicContact CD1-CZ2 3.99Å; G819-W821 VanDerWaalsContact C-N 3.33Å; G819-W821 PolarHBondContact O-N 2.77Å; W821-K823 PolarHBondContact O-N 3.42Å |
| 822 | A | 51 | Low | 53.8 | Low | 49 Ų | 49 | 108.3 Ų | 108.3 | 41% | 0.405 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -86.9 | 86.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | L796 T820 Y824 | L796-A822 HydrophobicContact CD2-CB 4.4Å; T820-A822 PolarHBondContact O-N 2.97Å; A822-Y824 PolarHBondContact O-N 2.87Å |
| 823 | K | 47.9 | Very low | 52.2 | Low | 165 Ų | 165 | 117.9 Ų | 117.9 | 72% | 0.717 | 55% | 0.552 | S | S | * | * | trans | -59.9 | 111.1 | 173.1 | -85.6 | -174.6 | 177.3 | 178.5 | 0 | 110.4 | W821 K825 | W821-K823 PolarHBondContact O-N 3.42Å; K823-K825 PolarHBondContact O-N 3.44Å | ||
| 824 | Y | 40.8 | Very low | 50.6 | Low | 190 Ų | 190 | 112.3 Ų | 112.3 | 75% | 0.745 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -33.5 | -5.2 | 179.3 | -139.2 | -104.6 | 0 | 0 | 0 | 120.5 | A822 | A822-Y824 PolarHBondContact O-N 2.87Š|
| 825 | K | 44 | Very low | 48.9 | Very low | 179 Ų | 179 | 112 Ų | 112 | 78% | 0.778 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -84 | -30.7 | -169.4 | -135.3 | 179 | -176.9 | -177.9 | 0 | 113.6 | K823 | K823-K825 PolarHBondContact O-N 3.44Å |
| 826 | D | 41.3 | Very low | 47.8 | Very low | 91 Ų | 91 | 112.7 Ų | 112.7 | 49% | 0.487 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -77.2 | -31.3 | -177.2 | -69.7 | -19.3 | 0 | 0 | 0 | 113.1 | ||
| 827 | W | 40.5 | Very low | 46.5 | Very low | 165 Ų | 165 | 112.3 Ų | 112.3 | 63% | 0.625 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.4 | -42.2 | 179.6 | -101.2 | 60.5 | 0 | 0 | 0 | 113 | Q829 G830 E831 | W827-Q829 VanDerWaalsContact C-N 3.27Å; W827-Q829 PolarHBondContact O-N 2.91Å; W827-G830 PolarHBondContact O-N 3.24Å; W827-E831 PolarHBondContact O-N 3.38Å |
| 828 | K | 41.3 | Very low | 45 | Very low | 115 Ų | 115 | 109 Ų | 109 | 50% | 0.5 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.7 | -26.3 | -178 | -89.7 | -169.6 | 175.1 | -177.5 | 0 | 114.3 | R832 | K828-R832 WeakPolarHBondContact O-CB 3.35Å; K828-R832 WeakPolarHBondContact O-CG 3.17Å; K828-R832 PolarHBondContact O-N 3.29Å; K828-R832 VanDerWaalsContact O-N 3.14Å |
| 829 | Q | 41 | Very low | 43.7 | Very low | 152 Ų | 152 | 110.6 Ų | 110.6 | 71% | 0.71 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -74.5 | -36 | 178.5 | -99.8 | -175.2 | -5.6 | 0 | 0 | 112.6 | W827 | W827-Q829 VanDerWaalsContact C-N 3.27Å; W827-Q829 PolarHBondContact O-N 2.91Å |
| 830 | G | 39.7 | Very low | 43.1 | Very low | 40 Ų | 40 | 111.8 Ų | 111.8 | 41% | 0.412 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.1 | -43.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | W827 R833 S834 | W827-G830 PolarHBondContact O-N 3.24Å; G830-R833 PolarHBondContact O-N 2.87Å; G830-S834 PolarHBondContact O-N 3.01Å |
| 831 | E | 39.8 | Very low | 42.3 | Very low | 90 Ų | 90 | 113 Ų | 113 | 42% | 0.421 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71 | -35.7 | -176.3 | -155.4 | 152.5 | -150.9 | 0 | 0 | 113 | W827 R833 S834 Q835 | W827-E831 PolarHBondContact O-N 3.38Å; E831-R833 VanDerWaalsContact C-N 3.26Å; E831-R833 PolarHBondContact O-N 2.92Å; E831-S834 WeakPolarHBondContact CA-OG 3.47Å; E831-S834 PolarHBondContact O-N 3.46Å; E831-S834 PolarHBondContact O-OG 2.91Å; E831-Q835 VanDerWaalsContact O-CB 3.3Å; E831-Q835 WeakPolarHBondContact O-CB 3.37Å; E831-Q835 WeakPolarHBondContact O-CG 3.12Å; E831-Q835 PolarHBondContact O-N 2.85Å |
| 832 | R | 43.5 | Very low | 41.8 | Very low | 177 Ų | 177 | 115.8 Ų | 115.8 | 67% | 0.668 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.4 | -34.3 | 170.7 | -79.7 | -175.4 | -157.4 | -177.2 | 3.8 | 113 | K828 S836 | K828-R832 WeakPolarHBondContact O-CB 3.35Å; K828-R832 WeakPolarHBondContact O-CG 3.17Å; K828-R832 PolarHBondContact O-N 3.29Å; K828-R832 VanDerWaalsContact O-N 3.14Å; R832-S836 PolarHBondContact O-N 3Å; R832-S836 VanDerWaalsContact O-N 3.08Å |
| 833 | R | 39.5 | Very low | 41.3 | Very low | 206 Ų | 206 | 121 Ų | 121 | 78% | 0.777 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -75.4 | -35.5 | 178.7 | -101.1 | -176.7 | 175 | 177 | -0.3 | 112.5 | G830 E831 S836 T837 | G830-R833 PolarHBondContact O-N 2.87Å; E831-R833 VanDerWaalsContact C-N 3.26Å; E831-R833 PolarHBondContact O-N 2.92Å; R833-S836 PolarHBondContact O-OG 2.75Å; R833-T837 PolarHBondContact O-OG1 3.23Å |
| 834 | S | 40.6 | Very low | 41 | Very low | 48 Ų | 48 | 117.1 Ų | 117.1 | 34% | 0.336 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -74.4 | -38.1 | 173.9 | 56.3 | 0 | 0 | 0 | 0 | 112 | G830 E831 T837 M838 | G830-S834 PolarHBondContact O-N 3.01Å; E831-S834 WeakPolarHBondContact CA-OG 3.47Å; E831-S834 PolarHBondContact O-N 3.46Å; E831-S834 PolarHBondContact O-OG 2.91Å; S834-T837 WeakPolarHBondContact CA-OG1 3.31Å; S834-T837 PolarHBondContact O-N 2.71Å; S834-T837 PolarHBondContact O-OG1 2.9Å; S834-M838 PolarHBondContact O-N 2.85Å |
| 835 | Q | 39.3 | Very low | 41 | Very low | 104 Ų | 104 | 112.4 Ų | 112.4 | 49% | 0.486 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 174.9 | -77.6 | 177.2 | -20.1 | 0 | 0 | 111.5 | E831 T837 M838 E839 | E831-Q835 VanDerWaalsContact O-CB 3.3Å; E831-Q835 WeakPolarHBondContact O-CB 3.37Å; E831-Q835 WeakPolarHBondContact O-CG 3.12Å; E831-Q835 PolarHBondContact O-N 2.85Å; Q835-T837 PolarHBondContact O-N 3.37Å; Q835-M838 PolarHBondContact O-N 3.46Å; Q835-E839 WeakPolarHBondContact O-CB 3.39Å; Q835-E839 WeakPolarHBondContact O-CG 3.48Å; Q835-E839 PolarHBondContact O-N 2.89Å |
| 836 | S | 44.3 | Very low | 40.8 | Very low | 60 Ų | 60 | 109.6 Ų | 109.6 | 42% | 0.42 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.1 | -26.7 | 178.3 | 91.8 | 0 | 0 | 0 | 0 | 113.5 | R832 R833 T840 | R832-S836 PolarHBondContact O-N 3Å; R832-S836 VanDerWaalsContact O-N 3.08Å; R833-S836 PolarHBondContact O-OG 2.75Å; S836-T840 WeakPolarHBondContact O-CG2 3.11Å; S836-T840 PolarHBondContact O-N 3.24Å; S836-T840 PolarHBondContact O-OG1 2.91Å |
| 837 | T | 38.7 | Very low | 40.7 | Very low | 64 Ų | 64 | 110.3 Ų | 110.3 | 39% | 0.393 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -84.7 | -28.8 | 177.1 | 35.4 | 0 | 0 | 0 | 0 | 112.9 | R833 S834 Q835 T840 | R833-T837 PolarHBondContact O-OG1 3.23Å; S834-T837 WeakPolarHBondContact CA-OG1 3.31Å; S834-T837 PolarHBondContact O-N 2.71Å; S834-T837 PolarHBondContact O-OG1 2.9Å; Q835-T837 PolarHBondContact O-N 3.37Å; T837-T840 WeakPolarHBondContact CA-OG1 3.39Å; T837-T840 PolarHBondContact O-OG1 3.41Å; T837-T840 VanDerWaalsContact O-OG1 3.09Å |
| 838 | M | 36.7 | Very low | 40.7 | Very low | 126 Ų | 126 | 107.2 Ų | 107.2 | 62% | 0.621 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -76 | -44.2 | 169.8 | -91.5 | -175.1 | 146 | 0 | 0 | 112.4 | S834 Q835 T840 R841 E842 | S834-M838 PolarHBondContact O-N 2.85Å; Q835-M838 PolarHBondContact O-N 3.46Å; M838-T840 PolarHBondContact O-N 3.46Å; M838-R841 CarbonylContact O-C 3.59Å; M838-R841 WeakPolarHBondContact O-CA 3.35Å; M838-R841 WeakPolarHBondContact O-CB 3.39Å; M838-R841 PolarHBondContact O-N 3.25Å; M838-E842 PolarHBondContact O-N 3.35Å |
| 839 | E | 40.9 | Very low | 40.5 | Very low | 98 Ų | 98 | 108.1 Ų | 108.1 | 46% | 0.458 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.2 | -31 | 177.6 | -78.6 | 179.7 | 177.6 | 0 | 0 | 112.8 | Q835 R841 R843 | Q835-E839 WeakPolarHBondContact O-CB 3.39Å; Q835-E839 WeakPolarHBondContact O-CG 3.48Å; Q835-E839 PolarHBondContact O-N 2.89Å; E839-R841 VanDerWaalsContact C-N 3.33Å; E839-R843 VanDerWaalsContact O-CB 3.27Å; E839-R843 WeakPolarHBondContact O-CB 3.44Å; E839-R843 WeakPolarHBondContact O-CG 3.42Å; E839-R843 PolarHBondContact O-N 3.26Å; E839-R843 VanDerWaalsContact O-N 3.15Å; E839-R843 PolarHBondContact O-NE 2.9Å; E839-R843 IonicContact OE2-NH2 2.83Å |
| 840 | T | 43.4 | Very low | 40.4 | Very low | 78 Ų | 78 | 107.2 Ų | 107.2 | 48% | 0.479 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -75 | -24.7 | 173.7 | 41.3 | 0 | 0 | 0 | 0 | 112.4 | S836 T837 M838 V844 | S836-T840 WeakPolarHBondContact O-CG2 3.11Å; S836-T840 PolarHBondContact O-N 3.24Å; S836-T840 PolarHBondContact O-OG1 2.91Å; T837-T840 WeakPolarHBondContact CA-OG1 3.39Å; T837-T840 PolarHBondContact O-OG1 3.41Å; T837-T840 VanDerWaalsContact O-OG1 3.09Å; M838-T840 PolarHBondContact O-N 3.46Å; T840-V844 WeakPolarHBondContact O-CG2 3.44Å; T840-V844 PolarHBondContact O-N 3.44Å |
| 841 | R | 40.5 | Very low | 40.2 | Very low | 120 Ų | 120 | 107 Ų | 107 | 45% | 0.453 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -84.2 | -45.2 | 177.9 | -174.1 | 177 | 172.3 | -179.1 | -5.2 | 111.9 | N778 M838 E839 R843 V844 E845 | N778-R841 PolarHBondContact OD1-NH1 3.07Å; M838-R841 CarbonylContact O-C 3.59Å; M838-R841 WeakPolarHBondContact O-CA 3.35Å; M838-R841 WeakPolarHBondContact O-CB 3.39Å; M838-R841 PolarHBondContact O-N 3.25Å; E839-R841 VanDerWaalsContact C-N 3.33Å; R841-R843 VanDerWaalsContact C-N 3.34Å; R841-V844 PolarHBondContact O-N 3.32Å; R841-V844 VanDerWaalsContact O-N 3.15Å; R841-E845 IonicContact NE-OE1 3.66Å; R841-E845 PolarHBondContact NE-OE1 3.25Å; R841-E845 PolarHBondContact O-N 3.14Å |
| 842 | E | 43 | Very low | 40 | Very low | 115 Ų | 115 | 108.8 Ų | 108.8 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 173.1 | -75.6 | 178.3 | 169.7 | 0 | 0 | 110.7 | M838 V844 E845 E846 | M838-E842 PolarHBondContact O-N 3.35Å; E842-V844 VanDerWaalsContact C-N 3.26Å; E842-V844 PolarHBondContact O-N 3.21Å; E842-E845 PolarHBondContact O-N 3.21Å; E842-E846 VanDerWaalsContact O-CB 3.27Å; E842-E846 WeakPolarHBondContact O-CB 3.37Å; E842-E846 PolarHBondContact O-N 3.22Å |
| 843 | R | 40.1 | Very low | 39.7 | Very low | 159 Ų | 159 | 108.5 Ų | 108.5 | 60% | 0.6 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.3 | -30.1 | 173.6 | -89.4 | -171.2 | -90.2 | -176.3 | -12.9 | 114.3 | E839 R841 F847 | E839-R843 VanDerWaalsContact O-CB 3.27Å; E839-R843 WeakPolarHBondContact O-CB 3.44Å; E839-R843 WeakPolarHBondContact O-CG 3.42Å; E839-R843 PolarHBondContact O-N 3.26Å; E839-R843 VanDerWaalsContact O-N 3.15Å; E839-R843 PolarHBondContact O-NE 2.9Å; E839-R843 IonicContact OE2-NH2 2.83Å; R841-R843 VanDerWaalsContact C-N 3.34Å; R843-F847 WeakPolarHBondContact O-CB 3.34Å; R843-F847 PolarHBondContact O-N 2.84Å; R843-F847 VanDerWaalsContact O-N 3.09Å |
| 844 | V | 41.9 | Very low | 39.5 | Very low | 83 Ų | 83 | 99.9 Ų | 99.9 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -77.6 | -42 | 176.6 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | T840 R841 E842 F847 E848 | T840-V844 WeakPolarHBondContact O-CG2 3.44Å; T840-V844 PolarHBondContact O-N 3.44Å; R841-V844 PolarHBondContact O-N 3.32Å; R841-V844 VanDerWaalsContact O-N 3.15Å; E842-V844 VanDerWaalsContact C-N 3.26Å; E842-V844 PolarHBondContact O-N 3.21Å; V844-F847 PolarHBondContact O-N 3.22Å; V844-E848 WeakPolarHBondContact O-CG 3.43Å; V844-E848 PolarHBondContact O-N 3.44Å |
| 845 | E | 40.3 | Very low | 39.6 | Very low | 90 Ų | 90 | 100.4 Ų | 100.4 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71 | -40.7 | 178.9 | -68.9 | 177.2 | -165.8 | 0 | 0 | 111.8 | R841 E842 E848 Q849 | R841-E845 IonicContact NE-OE1 3.66Å; R841-E845 PolarHBondContact NE-OE1 3.25Å; R841-E845 PolarHBondContact O-N 3.14Å; E842-E845 PolarHBondContact O-N 3.21Å; E845-E848 PolarHBondContact O-N 3.32Å; E845-Q849 WeakPolarHBondContact O-CG 3.42Å; E845-Q849 PolarHBondContact O-N 2.97Å |
| 846 | E | 40.3 | Very low | 39.8 | Very low | 120 Ų | 120 | 98.7 Ų | 98.7 | 56% | 0.561 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.7 | -41.6 | 170.4 | -80.3 | -176.1 | 151.7 | 0 | 0 | 111 | E842 Q849 E850 | E842-E846 VanDerWaalsContact O-CB 3.27Å; E842-E846 WeakPolarHBondContact O-CB 3.37Å; E842-E846 PolarHBondContact O-N 3.22Å; E846-Q849 PolarHBondContact O-N 3.42Å; E846-E850 WeakPolarHBondContact O-CB 3.4Å; E846-E850 WeakPolarHBondContact O-CG 3.44Å; E846-E850 PolarHBondContact O-N 2.82Å |
| 847 | F | 39.9 | Very low | 39.6 | Very low | 106 Ų | 106 | 101.1 Ų | 101.1 | 47% | 0.465 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.5 | -38.9 | 175.3 | -175.6 | -105.4 | 0 | 0 | 0 | 112.3 | R843 V844 Q849 L851 | R843-F847 WeakPolarHBondContact O-CB 3.34Å; R843-F847 PolarHBondContact O-N 2.84Å; R843-F847 VanDerWaalsContact O-N 3.09Å; V844-F847 PolarHBondContact O-N 3.22Å; F847-Q849 VanDerWaalsContact C-N 3.34Å; F847-L851 HydrophobicContact CD1-CD1 3.58Å; F847-L851 HydrophobicContact CE1-CD1 3.34Å; F847-L851 HydrophobicContact CE1-CG 4.27Å; F847-L851 HydrophobicContact CG-CD1 4.35Å; F847-L851 HydrophobicContact CZ-CD1 3.93Å; F847-L851 HydrophobicContact CZ-CG 4.42Å; F847-L851 WeakPolarHBondContact O-CB 3.33Å; F847-L851 WeakPolarHBondContact O-CD1 3.47Å; F847-L851 WeakPolarHBondContact O-CG 3.3Å; F847-L851 PolarHBondContact O-N 3.24Å |
| 848 | E | 39.5 | Very low | 39.9 | Very low | 101 Ų | 101 | 101 Ų | 101 | 47% | 0.472 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.4 | -37.9 | 172.4 | -78.1 | -172 | 170.8 | 0 | 0 | 111.8 | V844 E845 M852 | V844-E848 WeakPolarHBondContact O-CG 3.43Å; V844-E848 PolarHBondContact O-N 3.44Å; E845-E848 PolarHBondContact O-N 3.32Å; E848-M852 WeakPolarHBondContact O-CG 3.38Å; E848-M852 PolarHBondContact O-N 2.96Å |
| 849 | Q | 38.8 | Very low | 40.5 | Very low | 134 Ų | 134 | 95 Ų | 95 | 63% | 0.626 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -74.3 | -40 | 176.8 | -72.6 | -178.9 | 15.2 | 0 | 0 | 112.9 | E845 E846 F847 M852 M853 | E845-Q849 WeakPolarHBondContact O-CG 3.42Å; E845-Q849 PolarHBondContact O-N 2.97Å; E846-Q849 PolarHBondContact O-N 3.42Å; F847-Q849 VanDerWaalsContact C-N 3.34Å; Q849-M852 WeakPolarHBondContact O-CB 3.3Å; Q849-M852 PolarHBondContact O-N 3.47Å; Q849-M853 PolarHBondContact O-N 3.5Å |
| 850 | E | 37.1 | Very low | 40.9 | Very low | 132 Ų | 132 | 93.2 Ų | 93.2 | 62% | 0.617 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.1 | -38.9 | 173.2 | -79.8 | -168.8 | 152.5 | 0 | 0 | 111.1 | E846 M852 M853 A854 | E846-E850 WeakPolarHBondContact O-CB 3.4Å; E846-E850 WeakPolarHBondContact O-CG 3.44Å; E846-E850 PolarHBondContact O-N 2.82Å; E850-M852 VanDerWaalsContact C-N 3.26Å; E850-M852 PolarHBondContact O-N 2.98Å; E850-M853 PolarHBondContact O-N 3.21Å; E850-M853 VanDerWaalsContact O-N 3.14Å; E850-A854 WeakPolarHBondContact O-CB 3.33Å; E850-A854 PolarHBondContact O-N 3.3Å |
| 851 | L | 36.1 | Very low | 41 | Very low | 36 Ų | 36 | 95.3 Ų | 95.3 | 19% | 0.188 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -55.3 | -40.7 | 171.8 | -100.1 | 156.1 | 0 | 0 | 0 | 112.3 | I376 F847 | I376-L851 HydrophobicContact CD1-CD1 4.2Å; I376-L851 HydrophobicContact CD1-CD2 4.19Å; F847-L851 HydrophobicContact CD1-CD1 3.58Å; F847-L851 HydrophobicContact CE1-CD1 3.34Å; F847-L851 HydrophobicContact CE1-CG 4.27Å; F847-L851 HydrophobicContact CG-CD1 4.35Å; F847-L851 HydrophobicContact CZ-CD1 3.93Å; F847-L851 HydrophobicContact CZ-CG 4.42Å; F847-L851 WeakPolarHBondContact O-CB 3.33Å; F847-L851 WeakPolarHBondContact O-CD1 3.47Å; F847-L851 WeakPolarHBondContact O-CG 3.3Å; F847-L851 PolarHBondContact O-N 3.24Å |
| 852 | M | 35.4 | Very low | 41.5 | Very low | 128 Ų | 128 | 90 Ų | 90 | 63% | 0.631 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -68.2 | -38.6 | 177.9 | -70.4 | -113.3 | -86.4 | 0 | 0 | 112.3 | E848 Q849 E850 | E848-M852 WeakPolarHBondContact O-CG 3.38Å; E848-M852 PolarHBondContact O-N 2.96Å; Q849-M852 WeakPolarHBondContact O-CB 3.3Å; Q849-M852 PolarHBondContact O-N 3.47Å; E850-M852 VanDerWaalsContact C-N 3.26Å; E850-M852 PolarHBondContact O-N 2.98Å |
| 853 | M | 37.1 | Very low | 42 | Very low | 171 Ų | 171 | 86.4 Ų | 86.4 | 84% | 0.842 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -81.2 | -29.9 | -177.9 | -68.3 | -79 | -87.8 | 0 | 0 | 113 | Q849 E850 N855 | Q849-M853 PolarHBondContact O-N 3.5Å; E850-M853 PolarHBondContact O-N 3.21Å; E850-M853 VanDerWaalsContact O-N 3.14Å; M853-N855 PolarHBondContact O-N 3.21Å |
| 854 | A | 35.8 | Very low | 42.6 | Very low | 25 Ų | 25 | 81.9 Ų | 81.9 | 21% | 0.207 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 15.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114 | E850 S856 N857 H858 | E850-A854 WeakPolarHBondContact O-CB 3.33Å; E850-A854 PolarHBondContact O-N 3.3Å; A854-S856 PolarHBondContact O-N 3.44Å; A854-N857 PolarHBondContact O-N 2.88Å; A854-H858 VanDerWaalsContact CB-CD2 3.42Å; A854-H858 WeakPolarHBondContact CB-CD2 3.41Å; A854-H858 PolarHBondContact O-CD2 2.95Å; A854-H858 VanDerWaalsContact O-CD2 3.32Å; A854-H858 PolarHBondContact O-N 3.45Å |
| 855 | N | 42.1 | Very low | 43.1 | Very low | 58 Ų | 58 | 81.3 Ų | 81.3 | 31% | 0.31 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -57.9 | -19.2 | -177.5 | -116 | -13.5 | 0 | 0 | 0 | 114.6 | M853 V859 | M853-N855 PolarHBondContact O-N 3.21Å; N855-V859 WeakPolarHBondContact O-CB 3.36Å; N855-V859 WeakPolarHBondContact O-CG2 3.39Å |
| 856 | S | 43.6 | Very low | 43.7 | Very low | 69 Ų | 69 | 79.6 Ų | 79.6 | 48% | 0.483 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -79.1 | -47.3 | 169.3 | 54.8 | 0 | 0 | 0 | 0 | 112.1 | A854 V859 S860 | A854-S856 PolarHBondContact O-N 3.44Å; S856-V859 PolarHBondContact O-N 3.02Å; S856-S860 PolarHBondContact O-N 3.01Å; S856-S860 PolarHBondContact O-OG 3.37Å |
| 857 | N | 41.5 | Very low | 44.2 | Very low | 110 Ų | 110 | 78.2 Ų | 78.2 | 59% | 0.588 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -68.6 | -39.2 | -179 | -69.9 | -9 | 0 | 0 | 0 | 111.8 | A854 S860 Y861 | A854-N857 PolarHBondContact O-N 2.88Å; N857-S860 VanDerWaalsContact CA-OG 3.27Å; N857-S860 WeakPolarHBondContact CA-OG 3.48Å; N857-S860 PolarHBondContact O-N 3.41Å; N857-S860 PolarHBondContact O-OG 3.12Å; N857-Y861 WeakPolarHBondContact O-CB 3.49Å; N857-Y861 PolarHBondContact O-N 3.41Å |
| 858 | H | 44.4 | Very low | 44.2 | Very low | 62 Ų | 62 | 75.5 Ų | 75.5 | 29% | 0.287 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.9 | -38.7 | 174 | -78.9 | -67.8 | 0 | 0 | 0 | 112.2 | I757 A854 Y861 A862 | I757-H858 HydrophobicContact CD1-CB 4.03Å; A854-H858 VanDerWaalsContact CB-CD2 3.42Å; A854-H858 WeakPolarHBondContact CB-CD2 3.41Å; A854-H858 PolarHBondContact O-CD2 2.95Å; A854-H858 VanDerWaalsContact O-CD2 3.32Å; A854-H858 PolarHBondContact O-N 3.45Å; H858-Y861 PolarHBondContact O-N 2.83Å; H858-A862 WeakPolarHBondContact O-CB 3.3Å; H858-A862 PolarHBondContact O-N 3.35Å |
| 859 | V | 49 | Very low | 43.7 | Very low | 1 Ų | 1 | 74.2 Ų | 74.2 | 1% | 0.006 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64.1 | -45.9 | 172.6 | 170.5 | 0 | 0 | 0 | 0 | 109.8 | M755 I757 N855 S856 Y861 A862 R863 | M755-V859 HydrophobicContact CB-CG1 4.44Å; I757-V859 HydrophobicContact CD1-CG2 3.6Å; I757-V859 HydrophobicContact CG1-CG2 3.76Å; N855-V859 WeakPolarHBondContact O-CB 3.36Å; N855-V859 WeakPolarHBondContact O-CG2 3.39Å; S856-V859 PolarHBondContact O-N 3.02Å; V859-Y861 VanDerWaalsContact C-N 3.35Å; V859-Y861 PolarHBondContact O-N 3.17Å; V859-A862 PolarHBondContact O-N 2.87Å; V859-R863 HydrophobicContact CG1-CG 4.31Å; V859-R863 VanDerWaalsContact CG1-CZ 3.41Å; V859-R863 VanDerWaalsContact CG1-NH2 3.28Å; V859-R863 WeakPolarHBondContact O-CB 3.33Å; V859-R863 WeakPolarHBondContact O-CG 3.49Å; V859-R863 PolarHBondContact O-N 3.23Å |
| 860 | S | 48.8 | Very low | 43 | Very low | 60 Ų | 60 | 76.3 Ų | 76.3 | 42% | 0.42 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63 | -37.6 | 175.7 | 53.8 | 0 | 0 | 0 | 0 | 113.7 | S856 N857 R863 S864 | S856-S860 PolarHBondContact O-N 3.01Å; S856-S860 PolarHBondContact O-OG 3.37Å; N857-S860 VanDerWaalsContact CA-OG 3.27Å; N857-S860 WeakPolarHBondContact CA-OG 3.48Å; N857-S860 PolarHBondContact O-N 3.41Å; N857-S860 PolarHBondContact O-OG 3.12Å; S860-R863 WeakPolarHBondContact O-CB 3.27Å; S860-S864 WeakPolarHBondContact O-CB 3.4Å; S860-S864 PolarHBondContact O-N 3.47Å |
| 861 | Y | 46.9 | Very low | 42.6 | Very low | 122 Ų | 122 | 75.5 Ų | 75.5 | 48% | 0.478 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.1 | -46 | 177.1 | -173.7 | -95.6 | 0 | 0 | 0 | 111 | N857 H858 V859 R863 S864 S865 | N857-Y861 WeakPolarHBondContact O-CB 3.49Å; N857-Y861 PolarHBondContact O-N 3.41Å; H858-Y861 PolarHBondContact O-N 2.83Å; V859-Y861 VanDerWaalsContact C-N 3.35Å; V859-Y861 PolarHBondContact O-N 3.17Å; Y861-R863 VanDerWaalsContact C-N 3.3Å; Y861-R863 PolarHBondContact O-N 3.09Å; Y861-S864 WeakPolarHBondContact CA-OG 3.46Å; Y861-S864 WeakPolarHBondContact O-CA 3.29Å; Y861-S864 WeakPolarHBondContact O-CB 3.33Å; Y861-S864 PolarHBondContact O-N 3.2Å; Y861-S864 PolarHBondContact O-OG 3.13Å; Y861-S865 PolarHBondContact O-N 2.77Å; Y861-S865 PolarHBondContact O-OG 3.5Å |
| 862 | A | 50.6 | Low | 42 | Very low | 8 Ų | 8 | 79.4 Ų | 79.4 | 7% | 0.066 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -65.5 | -33.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | M755 H858 V859 S865 I866 | M755-A862 HydrophobicContact CE-CB 3.21Å; M755-A862 HydrophobicContact SD-CB 3.96Å; H858-A862 WeakPolarHBondContact O-CB 3.3Å; H858-A862 PolarHBondContact O-N 3.35Å; V859-A862 PolarHBondContact O-N 2.87Å; A862-S865 WeakPolarHBondContact CA-OG 3.48Å; A862-S865 PolarHBondContact O-OG 3.48Å; A862-I866 WeakPolarHBondContact O-CD1 3.26Å; A862-I866 VanDerWaalsContact O-CG1 3.27Å; A862-I866 WeakPolarHBondContact O-CG1 3.32Å; A862-I866 PolarHBondContact O-N 3.01Å |
| 863 | R | 52.9 | Low | 41.5 | Very low | 39 Ų | 39 | 78.6 Ų | 78.6 | 15% | 0.147 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -60 | -49.1 | 166.9 | -73.3 | 178.7 | -174.7 | 160.8 | 9.4 | 110.9 | D427 K736 Y737 V739 M755 V859 S860 Y861 S865 I866 S867 | D427-R863 IonicContact OD2-CZ 2.94Å; D427-R863 IonicContact OD2-NH2 3.16Å; D427-R863 PolarHBondContact OD2-NH2 3.4Å; K736-R863 PolarHBondContact O-NH1 2.93Å; K736-R863 VanDerWaalsContact O-NH1 3.16Å; Y737-R863 PolarHBondContact O-NH2 2.99Å; V739-R863 HydrophobicContact CG2-CB 4.29Å; V739-R863 HydrophobicContact CG2-CG 3.57Å; M755-R863 HydrophobicContact SD-CG 3.8Å; V859-R863 HydrophobicContact CG1-CG 4.31Å; V859-R863 VanDerWaalsContact CG1-CZ 3.41Å; V859-R863 VanDerWaalsContact CG1-NH2 3.28Å; V859-R863 WeakPolarHBondContact O-CB 3.33Å; V859-R863 WeakPolarHBondContact O-CG 3.49Å; V859-R863 PolarHBondContact O-N 3.23Å; S860-R863 WeakPolarHBondContact O-CB 3.27Å; Y861-R863 VanDerWaalsContact C-N 3.3Å; Y861-R863 PolarHBondContact O-N 3.09Å; R863-S865 VanDerWaalsContact C-N 3.35Å; R863-S865 PolarHBondContact O-N 3.46Å; R863-I866 PolarHBondContact O-N 3.24Å; R863-S867 PolarHBondContact O-N 3Å; R863-S867 PolarHBondContact O-OG 3.49Å |
| 864 | S | 53.4 | Low | 41.3 | Very low | 64 Ų | 64 | 76.2 Ų | 76.2 | 45% | 0.448 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.6 | -38 | -178.5 | 74.1 | 0 | 0 | 0 | 0 | 113.2 | S860 Y861 I866 S867 G868 | S860-S864 WeakPolarHBondContact O-CB 3.4Å; S860-S864 PolarHBondContact O-N 3.47Å; Y861-S864 WeakPolarHBondContact CA-OG 3.46Å; Y861-S864 WeakPolarHBondContact O-CA 3.29Å; Y861-S864 WeakPolarHBondContact O-CB 3.33Å; Y861-S864 PolarHBondContact O-N 3.2Å; Y861-S864 PolarHBondContact O-OG 3.13Å; S864-I866 VanDerWaalsContact C-N 3.29Å; S864-I866 PolarHBondContact O-N 3.43Å; S864-S867 PolarHBondContact O-OG 3.44Å; S864-G868 PolarHBondContact O-N 3Å |
| 865 | S | 51.3 | Low | 40.8 | Very low | 72 Ų | 72 | 79.2 Ų | 79.2 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.3 | -24.5 | 177.3 | 55.6 | 0 | 0 | 0 | 0 | 113.9 | Y861 A862 R863 | Y861-S865 PolarHBondContact O-N 2.77Å; Y861-S865 PolarHBondContact O-OG 3.5Å; A862-S865 WeakPolarHBondContact CA-OG 3.48Å; A862-S865 PolarHBondContact O-OG 3.48Å; R863-S865 VanDerWaalsContact C-N 3.35Å; R863-S865 PolarHBondContact O-N 3.46Å |
| 866 | I | 52.2 | Low | 39.9 | Very low | 53 Ų | 53 | 80.8 Ų | 80.8 | 27% | 0.272 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -91.8 | -33.9 | -179.7 | -63.5 | 167 | 0 | 0 | 0 | 111 | F370 V739 M755 A862 R863 S864 G868 | F370-I866 HydrophobicContact CD1-CD1 4.01Å; F370-I866 HydrophobicContact CD2-CD1 3.95Å; F370-I866 HydrophobicContact CE1-CD1 4.02Å; F370-I866 HydrophobicContact CE1-CG2 4.2Å; F370-I866 HydrophobicContact CE2-CD1 3.91Å; F370-I866 HydrophobicContact CG-CD1 3.99Å; F370-I866 HydrophobicContact CZ-CD1 3.97Å; F370-I866 HydrophobicContact CZ-CG2 4.33Å; V739-I866 HydrophobicContact CG1-CB 4.46Å; V739-I866 HydrophobicContact CG1-CG2 3.87Å; M755-I866 HydrophobicContact CE-CD1 3.63Å; A862-I866 WeakPolarHBondContact O-CD1 3.26Å; A862-I866 VanDerWaalsContact O-CG1 3.27Å; A862-I866 WeakPolarHBondContact O-CG1 3.32Å; A862-I866 PolarHBondContact O-N 3.01Å; R863-I866 PolarHBondContact O-N 3.24Å; S864-I866 VanDerWaalsContact C-N 3.29Å; S864-I866 PolarHBondContact O-N 3.43Å; I866-G868 VanDerWaalsContact C-N 3.32Å; I866-G868 PolarHBondContact O-N 3.36Å |
| 867 | S | 52.8 | Low | 39 | Very low | 91 Ų | 91 | 84.1 Ų | 84.1 | 64% | 0.636 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -74.4 | -16.9 | 179.5 | 58.2 | 0 | 0 | 0 | 0 | 114.6 | R863 S864 | R863-S867 PolarHBondContact O-N 3Å; R863-S867 PolarHBondContact O-OG 3.49Å; S864-S867 PolarHBondContact O-OG 3.44Å |
| 868 | G | 38 | Very low | 38.1 | Very low | 49 Ų | 49 | 88 Ų | 88 | 51% | 0.505 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -83.7 | 122.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | S864 I866 | S864-G868 PolarHBondContact O-N 3Å; I866-G868 VanDerWaalsContact C-N 3.32Å; I866-G868 PolarHBondContact O-N 3.36Å |
| 869 | G | 29.6 | Very low | 37.2 | Very low | 75 Ų | 75 | 90.5 Ų | 90.5 | 77% | 0.773 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -57.3 | 152.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 870 | E | 25.3 | Very low | 36 | Very low | 177 Ų | 177 | 98.1 Ų | 98.1 | 83% | 0.827 | 61% | 0.61 | S | S | * | * | S | Bend | trans | 37.9 | 121.5 | -179.9 | -82 | -178.7 | 157.9 | 0 | 0 | 117.5 | ||
| 871 | P | 27.7 | Very low | 34.7 | Very low | 115 Ų | 115 | 102.9 Ų | 102.9 | 75% | 0.747 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 130.1 | 174.7 | 27.3 | -31.9 | 0 | 0 | 0 | 108 | ||
| 872 | P | 24.1 | Very low | 33.8 | Very low | 119 Ų | 119 | 102.3 Ų | 102.3 | 77% | 0.773 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 129.2 | -173.5 | 23.3 | -31.5 | 0 | 0 | 0 | 108.8 | ||
| 873 | P | 23.6 | Very low | 32.7 | Very low | 110 Ų | 110 | 106.8 Ų | 106.8 | 71% | 0.714 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 146.8 | 173.4 | 26.9 | -31.1 | 0 | 0 | 0 | 109.1 | A875 | P873-A875 PolarHBondContact O-N 2.85Š|
| 874 | P | 33 | Very low | 31.4 | Very low | 121 Ų | 121 | 112.5 Ų | 112.5 | 79% | 0.786 | 71% | 0.708 | S | S | * | * | trans | -78 | 98.2 | -170 | 30.8 | -31.5 | 0 | 0 | 0 | 109.3 | ||||
| 875 | A | 25.3 | Very low | 30.2 | Very low | 89 Ų | 89 | 115.4 Ų | 115.4 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | trans | -152.1 | 111.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | P873 | P873-A875 PolarHBondContact O-N 2.85Š| ||
| 876 | A | 24.8 | Very low | 29 | Very low | 90 Ų | 90 | 117.7 Ų | 117.7 | 74% | 0.744 | 74% | 0.736 | S | S | * | * | 52.9 | 100.6 | 128.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 877 | I | 23.8 | Very low | 28 | Very low | 139 Ų | 139 | 120.3 Ų | 120.3 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | 30.5 | 96 | 121.5 | -48.9 | 168.9 | 0 | 0 | 0 | 115.1 | |||||
| 878 | M | 23.4 | Very low | 26.9 | Very low | 191 Ų | 191 | 119 Ų | 119 | 94% | 0.941 | 75% | 0.751 | S | S | * | * | trans | -132.6 | 124.7 | 137.4 | -77.2 | -148.8 | 164.5 | 0 | 0 | 110.3 | ||||
| 879 | T | 24 | Very low | 26.4 | Very low | 116 Ų | 116 | 119.7 Ų | 119.7 | 71% | 0.712 | 75% | 0.752 | S | S | * | * | trans | -67.5 | 130.9 | 173.9 | 46.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 880 | D | 23.6 | Very low | 26.5 | Very low | 161 Ų | 161 | 121 Ų | 121 | 86% | 0.861 | 74% | 0.744 | S | S | * | * | -161.9 | 136 | 128.9 | -100.4 | -21.9 | 0 | 0 | 0 | 113 | |||||
| 881 | N | 23.2 | Very low | 26.7 | Very low | 160 Ų | 160 | 117 Ų | 117 | 86% | 0.856 | 73% | 0.725 | S | S | * | * | trans | -81.8 | 126.3 | -178.1 | -70.2 | -46.9 | 0 | 0 | 0 | 110.4 | ||||
| 882 | S | 27.6 | Very low | 26.9 | Very low | 110 Ų | 110 | 118.3 Ų | 118.3 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | trans | -176.9 | 131.2 | 139.3 | 38.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 883 | S | 26.2 | Very low | 27.3 | Very low | 102 Ų | 102 | 116.5 Ų | 116.5 | 71% | 0.713 | 71% | 0.708 | S | S | * | * | trans | 65.8 | 111.9 | 153.9 | 55.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 884 | L | 27.1 | Very low | 27.8 | Very low | 159 Ų | 159 | 114.7 Ų | 114.7 | 83% | 0.832 | 69% | 0.692 | S | S | * | * | trans | 56.3 | 104.5 | 147.9 | -73.5 | 101 | 0 | 0 | 0 | 119.6 | ||||
| 885 | T | 27.3 | Very low | 27.9 | Very low | 125 Ų | 125 | 115.3 Ų | 115.3 | 77% | 0.767 | 68% | 0.679 | S | S | * | * | 170.2 | 126 | 125.3 | 34.1 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 886 | P | 26.4 | Very low | 28.3 | Very low | 120 Ų | 120 | 118.9 Ų | 118.9 | 78% | 0.779 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | 149.9 | 160.7 | 34.1 | -26.7 | 0 | 0 | 0 | 109.9 | ||
| 887 | P | 31.6 | Very low | 28.7 | Very low | 108 Ų | 108 | 119.8 Ų | 119.8 | 70% | 0.701 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -124 | 59.7 | 15.9 | 39.6 | -21.9 | 0 | 0 | 0 | 113.1 | ||
| 888 | A | 30.4 | Very low | 29.2 | Very low | 64 Ų | 64 | 117.8 Ų | 117.8 | 53% | 0.529 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -78.3 | -25.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V890 H891 Q892 | A888-V890 PolarHBondContact O-N 3.03Å; A888-H891 PolarHBondContact O-N 3.18Å; A888-Q892 PolarHBondContact O-N 2.97Å |
| 889 | A | 27 | Very low | 29.7 | Very low | 62 Ų | 62 | 114.1 Ų | 114.1 | 51% | 0.512 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -67.2 | -36 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | H891 T893 | A889-H891 VanDerWaalsContact C-N 3.32Å; A889-H891 PolarHBondContact O-N 2.94Å; A889-T893 PolarHBondContact O-N 3.35Å; A889-T893 VanDerWaalsContact O-N 3.13Å; A889-T893 PolarHBondContact O-OG1 3.1Å |
| 890 | V | 31.7 | Very low | 30.1 | Very low | 102 Ų | 102 | 115.6 Ų | 115.6 | 62% | 0.618 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.8 | -36.7 | -179.5 | -177.3 | 0 | 0 | 0 | 0 | 111 | A888 T893 M894 | A888-V890 PolarHBondContact O-N 3.03Å; V890-T893 PolarHBondContact O-OG1 3.45Å; V890-M894 WeakPolarHBondContact O-CB 3.4Å; V890-M894 PolarHBondContact O-N 3.41Å |
| 891 | H | 29.7 | Very low | 30.6 | Very low | 93 Ų | 93 | 117.7 Ų | 117.7 | 43% | 0.431 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -78.7 | -34.5 | -179.2 | -119.6 | -79.5 | 0 | 0 | 0 | 112.8 | A888 A889 M894 Y895 | A888-H891 PolarHBondContact O-N 3.18Å; A889-H891 VanDerWaalsContact C-N 3.32Å; A889-H891 PolarHBondContact O-N 2.94Å; H891-M894 WeakPolarHBondContact O-CB 3.34Å; H891-M894 PolarHBondContact O-N 2.96Å; H891-Y895 AromaticContact ND1-CE2 3.94Å; H891-Y895 WeakPolarHBondContact O-CD2 3.34Å; H891-Y895 PolarHBondContact O-N 3.23Å |
| 892 | Q | 32 | Very low | 30.9 | Very low | 144 Ų | 144 | 115.1 Ų | 115.1 | 67% | 0.673 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -70 | -37.6 | 174.5 | -92.9 | -177.2 | -17.5 | 0 | 0 | 113 | A888 M894 Y895 R896 | A888-Q892 PolarHBondContact O-N 2.97Å; Q892-M894 PolarHBondContact O-N 3.02Å; Q892-Y895 PolarHBondContact O-N 2.95Å; Q892-R896 PolarHBondContact O-N 3.28Å; Q892-R896 VanDerWaalsContact O-N 3.07Å |
| 893 | T | 32.1 | Very low | 30.8 | Very low | 80 Ų | 80 | 114.5 Ų | 114.5 | 49% | 0.491 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62.7 | -34.1 | 170.2 | 45.5 | 0 | 0 | 0 | 0 | 111.4 | A889 V890 R896 E897 | A889-T893 PolarHBondContact O-N 3.35Å; A889-T893 VanDerWaalsContact O-N 3.13Å; A889-T893 PolarHBondContact O-OG1 3.1Å; V890-T893 PolarHBondContact O-OG1 3.45Å; T893-R896 WeakPolarHBondContact O-CB 3.45Å; T893-R896 PolarHBondContact O-N 3.28Å; T893-E897 PolarHBondContact O-N 3.4Å |
| 894 | M | 33.5 | Very low | 31 | Very low | 73 Ų | 73 | 115.4 Ų | 115.4 | 36% | 0.36 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -73.4 | -37.8 | 179.3 | -157.3 | 177 | -177 | 0 | 0 | 112.7 | V890 H891 Q892 R896 E897 M898 | V890-M894 WeakPolarHBondContact O-CB 3.4Å; V890-M894 PolarHBondContact O-N 3.41Å; H891-M894 WeakPolarHBondContact O-CB 3.34Å; H891-M894 PolarHBondContact O-N 2.96Å; Q892-M894 PolarHBondContact O-N 3.02Å; M894-R896 VanDerWaalsContact C-N 3.31Å; M894-E897 PolarHBondContact O-N 3.37Å; M894-M898 HydrophobicContact CE-CE 4.06Å; M894-M898 HydrophobicContact CG-CE 4.29Å; M894-M898 WeakPolarHBondContact O-CB 3.33Å; M894-M898 VanDerWaalsContact O-CG 3.25Å; M894-M898 WeakPolarHBondContact O-CG 3.28Å; M894-M898 PolarHBondContact O-N 3.4Å |
| 895 | Y | 35.9 | Very low | 31 | Very low | 133 Ų | 133 | 112.9 Ų | 112.9 | 52% | 0.522 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.5 | -38.2 | 169.2 | -90 | -78 | 0 | 0 | 0 | 111.5 | H891 Q892 M898 E899 | H891-Y895 AromaticContact ND1-CE2 3.94Å; H891-Y895 WeakPolarHBondContact O-CD2 3.34Å; H891-Y895 PolarHBondContact O-N 3.23Å; Q892-Y895 PolarHBondContact O-N 2.95Å; Y895-M898 PolarHBondContact O-N 3.44Å; Y895-E899 PolarHBondContact O-N 2.72Å |
| 896 | R | 32.1 | Very low | 31.1 | Very low | 165 Ų | 165 | 112.2 Ų | 112.2 | 62% | 0.623 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -60.6 | -45.5 | 171.3 | -110.5 | 179.6 | 175.6 | 157.4 | -0.5 | 112.4 | Q892 T893 M894 M898 E900 | Q892-R896 PolarHBondContact O-N 3.28Å; Q892-R896 VanDerWaalsContact O-N 3.07Å; T893-R896 WeakPolarHBondContact O-CB 3.45Å; T893-R896 PolarHBondContact O-N 3.28Å; M894-R896 VanDerWaalsContact C-N 3.31Å; R896-M898 VanDerWaalsContact C-N 3.34Å; R896-E900 WeakPolarHBondContact O-CB 3.49Å; R896-E900 WeakPolarHBondContact O-CG 3.49Å; R896-E900 PolarHBondContact O-N 2.71Å |
| 897 | E | 34.8 | Very low | 31.1 | Very low | 108 Ų | 108 | 110 Ų | 110 | 51% | 0.505 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -69.1 | -30.7 | 175.4 | -75 | -171.1 | -178.9 | 0 | 0 | 112.6 | T893 M894 R901 | T893-E897 PolarHBondContact O-N 3.4Å; M894-E897 PolarHBondContact O-N 3.37Å; E897-R901 WeakPolarHBondContact O-CB 3.42Å; E897-R901 WeakPolarHBondContact O-CG 3.42Å; E897-R901 PolarHBondContact O-N 3.49Å; E897-R901 VanDerWaalsContact O-N 3.11Å |
| 898 | M | 34.3 | Very low | 30.8 | Very low | 97 Ų | 97 | 112.4 Ų | 112.4 | 48% | 0.478 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -71.8 | -40 | 175.2 | -78.1 | -174.5 | -177.2 | 0 | 0 | 112.1 | M894 Y895 R896 T902 | M894-M898 HydrophobicContact CE-CE 4.06Å; M894-M898 HydrophobicContact CG-CE 4.29Å; M894-M898 WeakPolarHBondContact O-CB 3.33Å; M894-M898 VanDerWaalsContact O-CG 3.25Å; M894-M898 WeakPolarHBondContact O-CG 3.28Å; M894-M898 PolarHBondContact O-N 3.4Å; Y895-M898 PolarHBondContact O-N 3.44Å; R896-M898 VanDerWaalsContact C-N 3.34Å; M898-T902 WeakPolarHBondContact O-CB 3.36Å; M898-T902 VanDerWaalsContact O-CG2 3.24Å; M898-T902 WeakPolarHBondContact O-CG2 3.48Å; M898-T902 PolarHBondContact O-N 2.92Å; M898-T902 VanDerWaalsContact O-N 3.12Å; M898-T902 PolarHBondContact O-OG1 3.29Å |
| 899 | E | 33 | Very low | 30.5 | Very low | 115 Ų | 115 | 115.9 Ų | 115.9 | 54% | 0.537 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -69.3 | -43.7 | 173.9 | -81.1 | -174.1 | 160.6 | 0 | 0 | 111.6 | Y895 R901 T902 T903 | Y895-E899 PolarHBondContact O-N 2.72Å; E899-R901 PolarHBondContact O-N 3.17Å; E899-T902 WeakPolarHBondContact CA-OG1 3.45Å; E899-T902 PolarHBondContact O-N 3.37Å; E899-T902 PolarHBondContact O-OG1 2.87Å; E899-T903 PolarHBondContact O-N 3.28Å; E899-T903 PolarHBondContact O-OG1 3.28Å |
| 900 | E | 33.2 | Very low | 30.4 | Very low | 147 Ų | 147 | 117.4 Ų | 117.4 | 69% | 0.687 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -62.1 | -31.1 | 176.2 | -78.3 | -177.2 | 177.8 | 0 | 0 | 112.6 | R896 | R896-E900 WeakPolarHBondContact O-CB 3.49Å; R896-E900 WeakPolarHBondContact O-CG 3.49Å; R896-E900 PolarHBondContact O-N 2.71Å |
| 901 | R | 34 | Very low | 30 | Very low | 205 Ų | 205 | 117.8 Ų | 117.8 | 77% | 0.774 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -80.6 | -17.3 | 173.9 | -74 | 179.3 | -172.6 | -163 | 7.7 | 113.8 | E897 E899 | E897-R901 WeakPolarHBondContact O-CB 3.42Å; E897-R901 WeakPolarHBondContact O-CG 3.42Å; E897-R901 PolarHBondContact O-N 3.49Å; E897-R901 VanDerWaalsContact O-N 3.11Å; E899-R901 PolarHBondContact O-N 3.17Å |
| 902 | T | 28.9 | Very low | 29.7 | Very low | 105 Ų | 105 | 123.9 Ų | 123.9 | 64% | 0.644 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -106.5 | -10.2 | -176.2 | 52.2 | 0 | 0 | 0 | 0 | 114.3 | M898 E899 P904 | M898-T902 WeakPolarHBondContact O-CB 3.36Å; M898-T902 VanDerWaalsContact O-CG2 3.24Å; M898-T902 WeakPolarHBondContact O-CG2 3.48Å; M898-T902 PolarHBondContact O-N 2.92Å; M898-T902 VanDerWaalsContact O-N 3.12Å; M898-T902 PolarHBondContact O-OG1 3.29Å; E899-T902 WeakPolarHBondContact CA-OG1 3.45Å; E899-T902 PolarHBondContact O-N 3.37Å; E899-T902 PolarHBondContact O-OG1 2.87Å; T902-P904 WeakPolarHBondContact O-CD 3.47Å |
| 903 | T | 25.4 | Very low | 29.3 | Very low | 97 Ų | 97 | 124.2 Ų | 124.2 | 60% | 0.595 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -86.3 | 102.2 | 163.9 | 57.9 | 0 | 0 | 0 | 0 | 109.9 | E899 S905 | E899-T903 PolarHBondContact O-N 3.28Å; E899-T903 PolarHBondContact O-OG1 3.28Å; T903-S905 PolarHBondContact O-N 3Å |
| 904 | P | 30.8 | Very low | 29 | Very low | 121 Ų | 121 | 127.8 Ų | 127.8 | 79% | 0.786 | 68% | 0.682 | S | S | * | * | trans | -64.3 | 111.8 | 172.6 | 26.5 | -31.8 | 0 | 0 | 0 | 107.6 | T902 A906 | T902-P904 WeakPolarHBondContact O-CD 3.47Å; P904-A906 PolarHBondContact O-N 3.44Å | ||
| 905 | S | 27.8 | Very low | 28.5 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | trans | -51.2 | 112.9 | 165.9 | 58.3 | 0 | 0 | 0 | 0 | 107.3 | T903 A907 | T903-S905 PolarHBondContact O-N 3Å; S905-A907 PolarHBondContact O-N 2.67Å | ||
| 906 | A | 27.9 | Very low | 28.1 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 91% | 0.909 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -62.5 | 82.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | P904 | P904-A906 PolarHBondContact O-N 3.44Š|
| 907 | A | 26.3 | Very low | 27.9 | Very low | 73 Ų | 73 | 129.9 Ų | 129.9 | 60% | 0.603 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -159.1 | 116.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | S905 | S905-A907 PolarHBondContact O-N 2.67Š|
| 908 | N | 25.7 | Very low | 27.4 | Very low | 159 Ų | 159 | 130.6 Ų | 130.6 | 85% | 0.85 | 74% | 0.736 | S | S | * | * | trans | 81.2 | 48 | 168.9 | -52.2 | -21.1 | 0 | 0 | 0 | 117.2 | S910 | N908-S910 PolarHBondContact O-N 3.39Å; N908-S910 VanDerWaalsContact O-N 3.15Å | ||
| 909 | V | 25.1 | Very low | 27.1 | Very low | 138 Ų | 138 | 131.5 Ų | 131.5 | 84% | 0.836 | 75% | 0.747 | S | S | * | * | trans | -75.4 | 84.9 | 142.2 | -179.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 910 | S | 24.4 | Very low | 26.9 | Very low | 94 Ų | 94 | 132.3 Ų | 132.3 | 66% | 0.657 | 76% | 0.755 | S | S | * | * | trans | -102.4 | 89.9 | 158.5 | 149.1 | 0 | 0 | 0 | 0 | 106 | N908 R912 | N908-S910 PolarHBondContact O-N 3.39Å; N908-S910 VanDerWaalsContact O-N 3.15Å; S910-R912 PolarHBondContact O-N 3.28Å | ||
| 911 | C | 23.3 | Very low | 27 | Very low | 109 Ų | 109 | 130 Ų | 130 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | trans | -59 | 89.1 | 164.8 | -68.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 912 | R | 23 | Very low | 26.8 | Very low | 221 Ų | 221 | 129.1 Ų | 129.1 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | trans | -96 | 94.8 | 160.6 | -116.1 | 179.3 | 179.6 | 165.2 | -0.1 | 107.8 | S910 D914 | S910-R912 PolarHBondContact O-N 3.28Å; R912-D914 PolarHBondContact O-N 2.87Å | ||
| 913 | N | 23.9 | Very low | 27 | Very low | 151 Ų | 151 | 126.1 Ų | 126.1 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | trans | -45.3 | 120.7 | 150.7 | -74.1 | -31.2 | 0 | 0 | 0 | 108.1 | ||||
| 914 | D | 25.9 | Very low | 27.4 | Very low | 155 Ų | 155 | 125.4 Ų | 125.4 | 83% | 0.829 | 76% | 0.757 | S | S | * | * | trans | -144 | 132.8 | 146 | -94.2 | -36 | 0 | 0 | 0 | 111.2 | R912 | R912-D914 PolarHBondContact O-N 2.87Š| ||
| 915 | K | 23.6 | Very low | 27.6 | Very low | 190 Ų | 190 | 125.3 Ų | 125.3 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | trans | -71.2 | 153.8 | -179.8 | -72.8 | 172.1 | 171.7 | 175.8 | 0 | 110.2 | ||||
| 916 | V | 25.8 | Very low | 27.9 | Very low | 137 Ų | 137 | 128.4 Ų | 128.4 | 83% | 0.83 | 76% | 0.756 | S | S | * | * | trans | 73.5 | 112 | 148.3 | 177.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 917 | A | 28.5 | Very low | 28.1 | Very low | 89 Ų | 89 | 130.7 Ų | 130.7 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | trans | -168.5 | 81.5 | 132 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 918 | T | 25.6 | Very low | 28.6 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -66.8 | 143.6 | 145 | 46.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 919 | T | 27.8 | Very low | 28.7 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 71% | 0.712 | 78% | 0.776 | S | S | * | * | trans | 86.2 | 109.2 | -167.9 | 75.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 920 | D | 27.9 | Very low | 28.9 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | -155.8 | 114.6 | 53.4 | -74.4 | -50.5 | 0 | 0 | 0 | 112.1 | |||||
| 921 | A | 35.1 | Very low | 29.1 | Very low | 98 Ų | 98 | 137.2 Ų | 137.2 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -92.5 | -3.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 922 | K | 29.8 | Very low | 29.5 | Very low | 186 Ų | 186 | 138.8 Ų | 138.8 | 81% | 0.809 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -93.7 | -18.5 | -179.1 | -79.2 | -172.3 | 173.3 | -176.1 | 0 | 114.4 | ||
| 923 | G | 33 | Very low | 29.9 | Very low | 43 Ų | 43 | 133.7 Ų | 133.7 | 44% | 0.443 | 78% | 0.778 | S | S | . | * | G | 310 helix | trans | -76.1 | -19.6 | 179 | 0 | 0 | 0 | 0 | 0 | 115.1 | V925 | G923-V925 VanDerWaalsContact C-N 3.3Å; G923-V925 PolarHBondContact O-N 3.27Å |
| 924 | A | 34.7 | Very low | 30.3 | Very low | 82 Ų | 82 | 132.5 Ų | 132.5 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -81.3 | -4.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 925 | V | 35.4 | Very low | 30.6 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 72% | 0.715 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -95.4 | -17.9 | 179.8 | -177.8 | 0 | 0 | 0 | 0 | 112.1 | G923 | G923-V925 VanDerWaalsContact C-N 3.3Å; G923-V925 PolarHBondContact O-N 3.27Å |
| 926 | E | 32.3 | Very low | 31.1 | Very low | 172 Ų | 172 | 126.4 Ų | 126.4 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | -11.3 | -178.4 | -75 | -175 | 160.8 | 0 | 0 | 115 | ||
| 927 | D | 32.6 | Very low | 31.6 | Very low | 159 Ų | 159 | 125.5 Ų | 125.5 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | trans | -96 | 13.3 | 179.7 | -92.1 | -8.6 | 0 | 0 | 0 | 114.6 | ||||
| 928 | V | 36.4 | Very low | 31.9 | Very low | 188 Ų | 188 | 128.8 Ų | 128.8 | 100% | 1.139 | 77% | 0.765 | S | S | * | * | trans | -109.6 | 0 | 167.4 | -179.7 | 0 | 0 | 0 | 0 | 108.8 |
Retrieved 928 of 928 residues in 2399 ms
(Link to these results)