| 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 | Y | 43.3 | Very low | 60.4 | Low | 287 Ų | 287 | 135.8 Ų | 135.8 | 100% | 1.125 | 62% | 0.623 | S | S | * | * | 0 | 95.1 | 0 | -99.3 | -96 | 0 | 0 | 0 | 107.5 | R3 | Y1-R3 PolarHBondContact O-N 3.13Š| |||
| 2 | Y | 45.1 | Very low | 62.7 | Low | 230 Ų | 230 | 130.9 Ų | 130.9 | 90% | 0.902 | 62% | 0.615 | S | S | * | * | trans | -77 | 105.6 | 172.4 | -95.3 | -85.9 | 0 | 0 | 0 | 107.4 | ||||
| 3 | R | 45.6 | Very low | 64.6 | Low | 207 Ų | 207 | 126.8 Ų | 126.8 | 78% | 0.781 | 59% | 0.591 | S | S | * | * | trans | -79.3 | 114.1 | 171.9 | -158 | 174.1 | -166.5 | 156.5 | 2.2 | 106.1 | Y1 D5 | Y1-R3 PolarHBondContact O-N 3.13Å; R3-D5 PolarHBondContact O-N 2.84Å; R3-D5 VanDerWaalsContact O-N 3.15Å | ||
| 4 | Y | 53.8 | Low | 66.3 | Low | 155 Ų | 155 | 120.4 Ų | 120.4 | 61% | 0.608 | 56% | 0.56 | S | S | * | * | trans | -73.6 | 99.6 | 171.6 | -95.1 | -94.2 | 0 | 0 | 0 | 107.3 | N6 | Y4-N6 PolarHBondContact O-N 3.18Š| ||
| 5 | D | 45.1 | Very low | 68 | Low | 131 Ų | 131 | 122.1 Ų | 122.1 | 70% | 0.701 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 119.8 | 167.8 | -78.3 | -29.4 | 0 | 0 | 0 | 107.9 | R3 | R3-D5 PolarHBondContact O-N 2.84Å; R3-D5 VanDerWaalsContact O-N 3.15Å |
| 6 | N | 57.6 | Low | 69.6 | Low | 149 Ų | 149 | 119.5 Ų | 119.5 | 80% | 0.797 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.5 | 51.9 | 177.4 | -45.2 | -37.2 | 0 | 0 | 0 | 116.2 | Y4 E8 | Y4-N6 PolarHBondContact O-N 3.18Å; N6-E8 PolarHBondContact O-N 3.36Å |
| 7 | A | 60.3 | Low | 70.9 | Confident | 20 Ų | 20 | 112.5 Ų | 112.5 | 17% | 0.165 | 52% | 0.52 | C | S | . | . | trans | -72.7 | 112.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | K261 V262 | A7-K261 HydrophobicContact CB-CB 4.34Å; A7-V262 HydrophobicContact CB-CG2 4.17Å; A7-V262 VanDerWaalsContact O-CG2 3.24Å; A7-V262 WeakPolarHBondContact O-CG2 3.32Å | ||
| 8 | E | 71.6 | Confident | 72.2 | Confident | 166 Ų | 166 | 109.6 Ų | 109.6 | 78% | 0.776 | 51% | 0.506 | S | S | * | . | trans | -120 | 147.4 | 172 | -68.2 | -176.8 | 179 | 0 | 0 | 110 | N6 S10 | N6-E8 PolarHBondContact O-N 3.36Å; E8-S10 PolarHBondContact O-N 3.19Å | ||
| 9 | V | 75.2 | Confident | 73.4 | Confident | 24 Ų | 24 | 106.6 Ų | 106.6 | 15% | 0.145 | 50% | 0.499 | C | S | . | . | trans | -71.2 | 121.9 | 173.7 | -179.6 | 0 | 0 | 0 | 0 | 108.6 | C11 L255 I259 V262 | V9-C11 PolarHBondContact O-N 3.28Å; V9-C11 VanDerWaalsContact O-N 3.1Å; V9-L255 HydrophobicContact CG1-CD1 3.63Å; V9-I259 HydrophobicContact CG2-CG1 4.12Å; V9-V262 HydrophobicContact CG2-CG2 3.8Å | ||
| 10 | S | 82.7 | Confident | 74.4 | Confident | 43 Ų | 43 | 103 Ų | 103 | 30% | 0.301 | 48% | 0.48 | S | S | . | . | trans | -63.1 | 115.9 | 179.4 | 178 | 0 | 0 | 0 | 0 | 111.1 | E8 C12 Y13 K14 | E8-S10 PolarHBondContact O-N 3.19Å; S10-C12 PolarHBondContact O-N 2.88Å; S10-Y13 PolarHBondContact O-N 2.94Å; S10-K14 PolarHBondContact O-N 3.41Å | ||
| 11 | C | 84.3 | Confident | 75.4 | Confident | 82 Ų | 82 | 98.1 Ų | 98.1 | 55% | 0.554 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -55.6 | -34.6 | 176.4 | -77.6 | 0 | 0 | 0 | 0 | 111.9 | V9 K14 Y15 | V9-C11 PolarHBondContact O-N 3.28Å; V9-C11 VanDerWaalsContact O-N 3.1Å; C11-K14 PolarHBondContact O-N 3.41Å; C11-Y15 HydrophobicContact CB-CD2 4.24Å; C11-Y15 HydrophobicContact CB-CE2 4.18Å; C11-Y15 WeakPolarHBondContact O-CD2 3.42Å; C11-Y15 PolarHBondContact O-N 1.98Å |
| 12 | C | 87.6 | Confident | 77.9 | Confident | 77 Ų | 77 | 86.4 Ų | 86.4 | 52% | 0.52 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.4 | -52.7 | 178.5 | -174.9 | 0 | 0 | 0 | 0 | 111.6 | S10 K14 Y15 L16 | S10-C12 PolarHBondContact O-N 2.88Å; C12-K14 VanDerWaalsContact C-N 3.33Å; C12-K14 PolarHBondContact O-N 3.46Å; C12-Y15 PolarHBondContact O-N 3.01Å; C12-L16 VanDerWaalsContact O-CB 3.31Å; C12-L16 WeakPolarHBondContact O-CB 3.44Å; C12-L16 VanDerWaalsContact O-CG 3.23Å; C12-L16 WeakPolarHBondContact O-CG 3.4Å; C12-L16 PolarHBondContact O-N 3.25Å; C12-L16 VanDerWaalsContact SG-CD1 3.6Å |
| 13 | Y | 87.3 | Confident | 80.3 | Confident | 77 Ų | 77 | 80.8 Ų | 80.8 | 30% | 0.302 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.8 | -36.3 | -180 | -69 | -57.5 | 0 | 0 | 0 | 112.5 | S10 M17 L251 T254 | S10-Y13 PolarHBondContact O-N 2.94Å; Y13-M17 WeakPolarHBondContact O-CB 3.02Å; Y13-M17 PolarHBondContact O-N 3.09Å; Y13-L251 HydrophobicContact CD1-CD2 3.99Å; Y13-T254 HydrophobicContact CD1-CG2 4.42Å; Y13-T254 HydrophobicContact CD2-CG2 3.98Å; Y13-T254 HydrophobicContact CE1-CG2 4.4Å; Y13-T254 HydrophobicContact CE2-CG2 3.99Å; Y13-T254 HydrophobicContact CG-CG2 4.24Å |
| 14 | K | 89.3 | Confident | 82.7 | Confident | 38 Ų | 38 | 74.1 Ų | 74.1 | 17% | 0.165 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.8 | -51 | 175.8 | -175.2 | 174.7 | -177.4 | 168.6 | 0 | 111.9 | S10 C11 C12 F18 A81 L82 E84 L255 | S10-K14 PolarHBondContact O-N 3.41Å; C11-K14 PolarHBondContact O-N 3.41Å; C12-K14 VanDerWaalsContact C-N 3.33Å; C12-K14 PolarHBondContact O-N 3.46Å; K14-F18 WeakPolarHBondContact O-CB 3.41Å; K14-F18 PolarHBondContact O-N 3.05Å; K14-A81 WeakPolarHBondContact CE-O 3.45Å; K14-L82 PolarHBondContact NZ-O 3.09Å; K14-E84 IonicContact NZ-OE1 2.71Å; K14-E84 PolarHBondContact NZ-OE1 3.2Å; K14-L255 HydrophobicContact CB-CD1 4.48Å |
| 15 | Y | 91.6 | Very high | 84.8 | Confident | 146 Ų | 146 | 70.6 Ų | 70.6 | 57% | 0.573 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -73 | -34.7 | -179.2 | -72 | -64.9 | 0 | 0 | 0 | 112.8 | C11 C12 F18 S19 | C11-Y15 HydrophobicContact CB-CD2 4.24Å; C11-Y15 HydrophobicContact CB-CE2 4.18Å; C11-Y15 WeakPolarHBondContact O-CD2 3.42Å; C11-Y15 PolarHBondContact O-N 1.98Å; C12-Y15 PolarHBondContact O-N 3.01Å; Y15-F18 PolarHBondContact O-N 2.86Å; Y15-S19 WeakPolarHBondContact O-CB 3.35Å; Y15-S19 PolarHBondContact O-N 2.99Å; Y15-S19 PolarHBondContact O-OG 3.44Å |
| 16 | L | 92.7 | Very high | 87.3 | Confident | 80 Ų | 80 | 69.4 Ų | 69.4 | 42% | 0.419 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.5 | -48.8 | 172.3 | -75.6 | 173 | 0 | 0 | 0 | 111 | C12 F18 S19 Y20 | C12-L16 VanDerWaalsContact O-CB 3.31Å; C12-L16 WeakPolarHBondContact O-CB 3.44Å; C12-L16 VanDerWaalsContact O-CG 3.23Å; C12-L16 WeakPolarHBondContact O-CG 3.4Å; C12-L16 PolarHBondContact O-N 3.25Å; C12-L16 VanDerWaalsContact SG-CD1 3.6Å; L16-F18 VanDerWaalsContact C-N 3.33Å; L16-F18 PolarHBondContact O-N 3.37Å; L16-S19 WeakPolarHBondContact CA-OG 3.31Å; L16-S19 PolarHBondContact O-N 3.09Å; L16-S19 PolarHBondContact O-OG 3.34Å; L16-Y20 WeakPolarHBondContact O-CB 3.27Å; L16-Y20 PolarHBondContact O-N 2.87Å |
| 17 | M | 92.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 176.9 | -177.9 | 62.4 | -179.3 | 0 | 0 | 111.9 | Y13 N21 A81 L89 F92 L251 A252 L255 | Y13-M17 WeakPolarHBondContact O-CB 3.02Å; Y13-M17 PolarHBondContact O-N 3.09Å; M17-N21 WeakPolarHBondContact CE-ND2 3.43Å; M17-N21 PolarHBondContact O-N 3.42Å; M17-N21 VanDerWaalsContact O-N 3.11Å; M17-N21 PolarHBondContact O-ND2 2.97Å; M17-N21 PolarHBondContact SD-ND2 3.2Å; M17-A81 HydrophobicContact CB-CB 4.17Å; M17-A81 HydrophobicContact CG-CB 3.79Å; M17-L89 HydrophobicContact CE-CD2 3.94Å; M17-F92 HydrophobicContact CE-CD1 3.64Å; M17-F92 HydrophobicContact CE-CE1 3.39Å; M17-F92 HydrophobicContact CE-CG 4.39Å; M17-F92 HydrophobicContact CE-CZ 3.92Å; M17-F92 HydrophobicContact SD-CE1 4.5Å; M17-L251 HydrophobicContact SD-CB 3.8Å; M17-A252 HydrophobicContact CE-CB 3.93Å; M17-L255 HydrophobicContact CB-CD2 4.37Å; M17-L255 HydrophobicContact CG-CD2 4.23Å |
| 18 | F | 94.3 | Very high | 90.9 | Very high | 61 Ų | 61 | 63.2 Ų | 63.2 | 27% | 0.268 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.7 | -47.9 | 174.5 | 175.3 | -103.6 | 0 | 0 | 0 | 112.1 | K14 Y15 L16 Y20 N21 I22 C78 L82 | K14-F18 WeakPolarHBondContact O-CB 3.41Å; K14-F18 PolarHBondContact O-N 3.05Å; Y15-F18 PolarHBondContact O-N 2.86Å; L16-F18 VanDerWaalsContact C-N 3.33Å; L16-F18 PolarHBondContact O-N 3.37Å; F18-Y20 VanDerWaalsContact C-N 3.3Å; F18-Y20 PolarHBondContact O-N 3.29Å; F18-N21 PolarHBondContact O-N 2.87Å; F18-I22 HydrophobicContact CE2-CD1 4.09Å; F18-I22 HydrophobicContact CZ-CB 4.38Å; F18-I22 HydrophobicContact CZ-CD1 3.94Å; F18-I22 HydrophobicContact CZ-CG1 4.3Å; F18-I22 WeakPolarHBondContact O-CB 3.28Å; F18-I22 PolarHBondContact O-N 3.17Å; F18-C78 HydrophobicContact CD2-CB 4.03Å; F18-C78 HydrophobicContact CE2-CB 4.13Å; F18-L82 HydrophobicContact CD2-CD1 3.77Å; F18-L82 HydrophobicContact CD2-CD2 4.13Å; F18-L82 HydrophobicContact CD2-CG 3.82Å; F18-L82 HydrophobicContact CE2-CD1 3.63Å; F18-L82 HydrophobicContact CE2-CG 4.21Å; F18-L82 HydrophobicContact CG-CD2 4.33Å; F18-L82 HydrophobicContact CG-CG 4.47Å; F18-L82 HydrophobicContact CZ-CD1 4.45Å |
| 19 | S | 94.1 | Very high | 92.2 | Very high | 53 Ų | 53 | 57 Ų | 57 | 37% | 0.371 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.8 | -35.3 | 179.4 | 69.3 | 0 | 0 | 0 | 0 | 113.2 | Y15 L16 I22 I23 | Y15-S19 WeakPolarHBondContact O-CB 3.35Å; Y15-S19 PolarHBondContact O-N 2.99Å; Y15-S19 PolarHBondContact O-OG 3.44Å; L16-S19 WeakPolarHBondContact CA-OG 3.31Å; L16-S19 PolarHBondContact O-N 3.09Å; L16-S19 PolarHBondContact O-OG 3.34Å; S19-I22 WeakPolarHBondContact O-CG2 3.49Å; S19-I23 WeakPolarHBondContact O-CD1 3.32Å; S19-I23 WeakPolarHBondContact O-CG1 2.82Å |
| 20 | Y | 93.3 | Very high | 93.2 | Very high | 33 Ų | 33 | 58.1 Ų | 58.1 | 13% | 0.129 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.1 | -50.9 | 174.3 | 173.8 | -91.2 | 0 | 0 | 0 | 109.9 | L16 F18 F24 F92 L244 | L16-Y20 WeakPolarHBondContact O-CB 3.27Å; L16-Y20 PolarHBondContact O-N 2.87Å; F18-Y20 VanDerWaalsContact C-N 3.3Å; F18-Y20 PolarHBondContact O-N 3.29Å; Y20-F24 HydrophobicContact CD1-CD2 4.22Å; Y20-F24 HydrophobicContact CD1-CE2 4.13Å; Y20-F24 AromaticContact CD2-CE2 3.99Å; Y20-F24 HydrophobicContact CD2-CE2 3.99Å; Y20-F24 AromaticContact CE1-CD2 3.91Å; Y20-F24 HydrophobicContact CE1-CD2 3.91Å; Y20-F24 AromaticContact CE1-CE2 3.67Å; Y20-F24 HydrophobicContact CE1-CE2 3.67Å; Y20-F24 HydrophobicContact CE2-CD2 4.5Å; Y20-F24 AromaticContact CE2-CE2 3.54Å; Y20-F24 HydrophobicContact CE2-CE2 3.54Å; Y20-F24 HydrophobicContact CE2-CZ 4.21Å; Y20-F24 HydrophobicContact CG-CE2 4.27Å; Y20-F24 AromaticContact CZ-CE2 3.34Å; Y20-F24 WeakPolarHBondContact O-CD2 3.36Å; Y20-F92 HydrophobicContact CE1-CZ 4.25Å; Y20-L244 HydrophobicContact CE2-CD2 4.34Å; Y20-L244 PolarHBondContact OH-O 3.44Å |
| 21 | N | 95.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -75.8 | -28.9 | -173.8 | -74.8 | -72.7 | 0 | 0 | 0 | 114.5 | M17 F18 I23 F24 W25 C78 F92 | M17-N21 WeakPolarHBondContact CE-ND2 3.43Å; M17-N21 PolarHBondContact O-N 3.42Å; M17-N21 VanDerWaalsContact O-N 3.11Å; M17-N21 PolarHBondContact O-ND2 2.97Å; M17-N21 PolarHBondContact SD-ND2 3.2Å; F18-N21 PolarHBondContact O-N 2.87Å; N21-I23 VanDerWaalsContact C-N 3.25Å; N21-I23 PolarHBondContact O-N 3.13Å; N21-F24 PolarHBondContact O-N 2.93Å; N21-W25 WeakPolarHBondContact O-CB 3.36Å; N21-W25 PolarHBondContact O-N 2.95Å; N21-C78 WeakPolarHBondContact CB-SG 3.45Å; N21-F92 WeakPolarHBondContact OD1-CE2 3.43Å; N21-F92 WeakPolarHBondContact OD1-CZ 3.34Å |
| 22 | I | 96.6 | Very high | 94.4 | Very high | 41 Ų | 41 | 58.6 Ų | 58.6 | 21% | 0.21 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.6 | -35 | -179.3 | -164.6 | 74.6 | 0 | 0 | 0 | 111 | F18 S19 W25 L26 C78 | F18-I22 HydrophobicContact CE2-CD1 4.09Å; F18-I22 HydrophobicContact CZ-CB 4.38Å; F18-I22 HydrophobicContact CZ-CD1 3.94Å; F18-I22 HydrophobicContact CZ-CG1 4.3Å; F18-I22 WeakPolarHBondContact O-CB 3.28Å; F18-I22 PolarHBondContact O-N 3.17Å; S19-I22 WeakPolarHBondContact O-CG2 3.49Å; I22-W25 HydrophobicContact CD1-CE3 3.45Å; I22-W25 VanDerWaalsContact CD1-CE3 3.45Å; I22-W25 HydrophobicContact CD1-CZ3 3.86Å; I22-W25 HydrophobicContact CG1-CE3 4.48Å; I22-W25 PolarHBondContact O-N 3Å; I22-L26 HydrophobicContact CG1-CD1 4.46Å; I22-L26 VanDerWaalsContact O-CG 3.31Å; I22-L26 WeakPolarHBondContact O-CG 3.44Å; I22-L26 PolarHBondContact O-N 3.17Å; I22-C78 PolarHBondContact N-SG 2.88Å; I22-C78 VanDerWaalsContact N-SG 3.39Å |
| 23 | I | 95.5 | Very high | 94.8 | Very high | 112 Ų | 112 | 57.8 Ų | 57.8 | 57% | 0.574 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.2 | -49.3 | 176.6 | -61.9 | 168.8 | 0 | 0 | 0 | 110 | S19 N21 W25 L26 A27 | S19-I23 WeakPolarHBondContact O-CD1 3.32Å; S19-I23 WeakPolarHBondContact O-CG1 2.82Å; N21-I23 VanDerWaalsContact C-N 3.25Å; N21-I23 PolarHBondContact O-N 3.13Å; I23-W25 VanDerWaalsContact C-N 3.34Å; I23-W25 PolarHBondContact O-N 2.82Å; I23-L26 PolarHBondContact O-N 3.4Å; I23-A27 WeakPolarHBondContact O-CB 3.31Å; I23-A27 PolarHBondContact O-N 3.12Å |
| 24 | F | 95.2 | Very high | 95 | Very high | 68 Ų | 68 | 58.7 Ų | 58.7 | 30% | 0.298 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.2 | -37.1 | 177.3 | -68.5 | -73.5 | 0 | 0 | 0 | 112.4 | Y20 N21 A27 G28 T70 | Y20-F24 HydrophobicContact CD1-CD2 4.22Å; Y20-F24 HydrophobicContact CD1-CE2 4.13Å; Y20-F24 AromaticContact CD2-CE2 3.99Å; Y20-F24 HydrophobicContact CD2-CE2 3.99Å; Y20-F24 AromaticContact CE1-CD2 3.91Å; Y20-F24 HydrophobicContact CE1-CD2 3.91Å; Y20-F24 AromaticContact CE1-CE2 3.67Å; Y20-F24 HydrophobicContact CE1-CE2 3.67Å; Y20-F24 HydrophobicContact CE2-CD2 4.5Å; Y20-F24 AromaticContact CE2-CE2 3.54Å; Y20-F24 HydrophobicContact CE2-CE2 3.54Å; Y20-F24 HydrophobicContact CE2-CZ 4.21Å; Y20-F24 HydrophobicContact CG-CE2 4.27Å; Y20-F24 AromaticContact CZ-CE2 3.34Å; Y20-F24 WeakPolarHBondContact O-CD2 3.36Å; N21-F24 PolarHBondContact O-N 2.93Å; F24-A27 PolarHBondContact O-N 3.38Å; F24-G28 PolarHBondContact O-N 2.91Å; F24-T70 HydrophobicContact CB-CG2 4.09Å; F24-T70 HydrophobicContact CD1-CG2 4.35Å; F24-T70 WeakPolarHBondContact O-CG2 3.23Å |
| 25 | W | 97.6 | Very high | 95 | Very high | 81 Ų | 81 | 56.9 Ų | 56.9 | 31% | 0.307 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 177.3 | -176.8 | 54.9 | 0 | 0 | 0 | 112 | N21 I22 I23 G28 A29 F71 | N21-W25 WeakPolarHBondContact O-CB 3.36Å; N21-W25 PolarHBondContact O-N 2.95Å; I22-W25 HydrophobicContact CD1-CE3 3.45Å; I22-W25 VanDerWaalsContact CD1-CE3 3.45Å; I22-W25 HydrophobicContact CD1-CZ3 3.86Å; I22-W25 HydrophobicContact CG1-CE3 4.48Å; I22-W25 PolarHBondContact O-N 3Å; I23-W25 VanDerWaalsContact C-N 3.34Å; I23-W25 PolarHBondContact O-N 2.82Å; W25-G28 PolarHBondContact O-N 3.48Å; W25-A29 PolarHBondContact O-N 3.11Å; W25-F71 AromaticContact CD1-CD2 3.56Å; W25-F71 AromaticContact CD1-CE2 3.65Å; W25-F71 AromaticContact CE2-CE2 3.78Å; W25-F71 HydrophobicContact CZ2-CE2 4.29Å; W25-F71 HydrophobicContact CZ2-CZ 4.45Å; W25-F71 AromaticContact NE1-CD2 3.45Å; W25-F71 AromaticContact NE1-CE1 3.99Å; W25-F71 AromaticContact NE1-CE2 3.01Å; W25-F71 AromaticContact NE1-CZ 3.32Å; W25-F71 VanDerWaalsContact NE1-CZ 3.32Å |
| 26 | L | 97.8 | Very high | 95 | Very high | 105 Ų | 105 | 55.2 Ų | 55.2 | 55% | 0.55 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66 | -40.6 | 176 | -67.2 | 176.2 | 0 | 0 | 0 | 111.9 | I22 I23 A29 A30 | I22-L26 HydrophobicContact CG1-CD1 4.46Å; I22-L26 VanDerWaalsContact O-CG 3.31Å; I22-L26 WeakPolarHBondContact O-CG 3.44Å; I22-L26 PolarHBondContact O-N 3.17Å; I23-L26 PolarHBondContact O-N 3.4Å; L26-A29 PolarHBondContact O-N 3.23Å; L26-A30 WeakPolarHBondContact O-CB 3.43Å; L26-A30 PolarHBondContact O-N 3.03Å |
| 27 | A | 96.7 | Very high | 94.8 | Very high | 39 Ų | 39 | 58.6 Ų | 58.6 | 32% | 0.322 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | I23 F24 A30 F31 | I23-A27 WeakPolarHBondContact O-CB 3.31Å; I23-A27 PolarHBondContact O-N 3.12Å; F24-A27 PolarHBondContact O-N 3.38Å; A27-A30 PolarHBondContact O-N 3Å; A27-F31 WeakPolarHBondContact O-CD2 3.21Å; A27-F31 PolarHBondContact O-N 2.98Å |
| 28 | G | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F24 W25 A30 F31 I32 | F24-G28 PolarHBondContact O-N 2.91Å; W25-G28 PolarHBondContact O-N 3.48Å; G28-A30 VanDerWaalsContact C-N 3.33Å; G28-A30 PolarHBondContact O-N 2.96Å; G28-F31 PolarHBondContact O-N 2.92Å; G28-I32 VanDerWaalsContact O-CG1 3.27Å; G28-I32 WeakPolarHBondContact O-CG1 2.9Å; G28-I32 PolarHBondContact O-N 2.62Å |
| 29 | A | 97.8 | Very high | 93.8 | Very high | 36 Ų | 36 | 62.2 Ų | 62.2 | 30% | 0.298 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | W25 L26 I32 A33 F71 | W25-A29 PolarHBondContact O-N 3.11Å; L26-A29 PolarHBondContact O-N 3.23Å; A29-I32 PolarHBondContact O-N 2.91Å; A29-A33 WeakPolarHBondContact O-CB 3.49Å; A29-A33 PolarHBondContact O-N 3.47Å; A29-F71 HydrophobicContact CB-CD2 3.99Å; A29-F71 HydrophobicContact CB-CE2 4.14Å |
| 30 | A | 97.4 | Very high | 93.3 | Very high | 48 Ų | 48 | 62.8 Ų | 62.8 | 40% | 0.397 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.9 | -45 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | L26 A27 G28 I32 A33 I34 | L26-A30 WeakPolarHBondContact O-CB 3.43Å; L26-A30 PolarHBondContact O-N 3.03Å; A27-A30 PolarHBondContact O-N 3Å; G28-A30 VanDerWaalsContact C-N 3.33Å; G28-A30 PolarHBondContact O-N 2.96Å; A30-I32 VanDerWaalsContact C-N 3.34Å; A30-I32 PolarHBondContact O-N 3.13Å; A30-A33 PolarHBondContact O-N 2.04Å; A30-I34 WeakPolarHBondContact O-CB 3.22Å; A30-I34 VanDerWaalsContact O-CG1 3.28Å; A30-I34 WeakPolarHBondContact O-CG1 3.4Å; A30-I34 PolarHBondContact O-N 3.33Å |
| 31 | F | 95.7 | Very high | 92.5 | Very high | 96 Ų | 96 | 66.8 Ų | 66.8 | 42% | 0.421 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 175.4 | -76.4 | -46 | 0 | 0 | 0 | 112.6 | A27 G28 I34 G35 V63 | A27-F31 WeakPolarHBondContact O-CD2 3.21Å; A27-F31 PolarHBondContact O-N 2.98Å; G28-F31 PolarHBondContact O-N 2.92Å; F31-I34 PolarHBondContact O-N 2.96Å; F31-G35 PolarHBondContact O-N 3.04Å; F31-V63 HydrophobicContact CB-CG1 4.34Å; F31-V63 HydrophobicContact CD1-CG1 4.33Å |
| 32 | I | 95.8 | Very high | 91 | Very high | 39 Ų | 39 | 67.6 Ų | 67.6 | 20% | 0.2 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 175.1 | -68.5 | 166.8 | 0 | 0 | 0 | 110.5 | G28 A29 A30 G35 F36 F71 | G28-I32 VanDerWaalsContact O-CG1 3.27Å; G28-I32 WeakPolarHBondContact O-CG1 2.9Å; G28-I32 PolarHBondContact O-N 2.62Å; A29-I32 PolarHBondContact O-N 2.91Å; A30-I32 VanDerWaalsContact C-N 3.34Å; A30-I32 PolarHBondContact O-N 3.13Å; I32-G35 PolarHBondContact O-N 2.85Å; I32-F36 HydrophobicContact CG2-CD2 3.5Å; I32-F36 HydrophobicContact CG2-CE2 3.47Å; I32-F36 VanDerWaalsContact CG2-CE2 3.47Å; I32-F36 VanDerWaalsContact O-CD2 3.29Å; I32-F36 WeakPolarHBondContact O-CD2 3.26Å; I32-F36 PolarHBondContact O-N 3.33Å; I32-F71 HydrophobicContact CD1-CB 3.67Å; I32-F71 HydrophobicContact CD1-CD2 4.31Å; I32-F71 HydrophobicContact CD1-CG 3.94Å |
| 33 | A | 95.6 | Very high | 89.1 | Confident | 60 Ų | 60 | 67.5 Ų | 67.5 | 50% | 0.496 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | A29 A30 G35 F36 W37 | A29-A33 WeakPolarHBondContact O-CB 3.49Å; A29-A33 PolarHBondContact O-N 3.47Å; A30-A33 PolarHBondContact O-N 2.04Å; A33-G35 VanDerWaalsContact C-N 3.35Å; A33-F36 PolarHBondContact O-N 2.76Å; A33-W37 VanDerWaalsContact O-CB 3.28Å; A33-W37 WeakPolarHBondContact O-CB 2.94Å; A33-W37 PolarHBondContact O-N 3.23Å |
| 34 | I | 92 | Very high | 87.1 | Confident | 95 Ų | 95 | 68.6 Ų | 68.6 | 49% | 0.487 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 175.5 | -67.2 | 165 | 0 | 0 | 0 | 110.5 | A30 F31 W37 A38 | A30-I34 WeakPolarHBondContact O-CB 3.22Å; A30-I34 VanDerWaalsContact O-CG1 3.28Å; A30-I34 WeakPolarHBondContact O-CG1 3.4Å; A30-I34 PolarHBondContact O-N 3.33Å; F31-I34 PolarHBondContact O-N 2.96Å; I34-W37 PolarHBondContact O-N 3.15Å; I34-A38 WeakPolarHBondContact O-CB 3.3Å; I34-A38 PolarHBondContact O-N 3.12Å |
| 35 | G | 90.1 | Very high | 84.9 | Confident | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.01 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.5 | -44 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F31 I32 A33 W39 V60 | F31-G35 PolarHBondContact O-N 3.04Å; I32-G35 PolarHBondContact O-N 2.85Å; A33-G35 VanDerWaalsContact C-N 3.35Å; G35-W39 WeakPolarHBondContact O-CB 3.4Å; G35-W39 PolarHBondContact O-N 3.26Å; G35-V60 VanDerWaalsContact O-CG1 3.28Å; G35-V60 WeakPolarHBondContact O-CG1 2.97Å |
| 36 | F | 90.2 | Very high | 82.7 | Confident | 111 Ų | 111 | 73.1 Ų | 73.1 | 49% | 0.487 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -69 | -37.6 | 175.2 | -82.7 | -62.4 | 0 | 0 | 0 | 112.7 | I32 A33 W39 S40 L64 | I32-F36 HydrophobicContact CG2-CD2 3.5Å; I32-F36 HydrophobicContact CG2-CE2 3.47Å; I32-F36 VanDerWaalsContact CG2-CE2 3.47Å; I32-F36 VanDerWaalsContact O-CD2 3.29Å; I32-F36 WeakPolarHBondContact O-CD2 3.26Å; I32-F36 PolarHBondContact O-N 3.33Å; A33-F36 PolarHBondContact O-N 2.76Å; F36-W39 AromaticContact CD1-CE3 3.83Å; F36-W39 HydrophobicContact CD1-CE3 3.83Å; F36-W39 HydrophobicContact CD1-CZ3 4.28Å; F36-W39 AromaticContact CE1-CE3 3.84Å; F36-W39 HydrophobicContact CE1-CE3 3.84Å; F36-W39 AromaticContact CE1-CZ3 3.82Å; F36-W39 HydrophobicContact CE1-CZ3 3.82Å; F36-W39 PolarHBondContact O-N 2.91Å; F36-S40 WeakPolarHBondContact O-CB 3.26Å; F36-S40 PolarHBondContact O-N 2.56Å; F36-S40 PolarHBondContact O-OG 2.03Å; F36-L64 HydrophobicContact CD2-CD2 4.18Å; F36-L64 HydrophobicContact CE2-CD2 4.32Å; F36-L64 HydrophobicContact CG-CD2 4.35Å |
| 37 | W | 89.5 | Confident | 80.2 | Confident | 151 Ų | 151 | 75.5 Ų | 75.5 | 57% | 0.572 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -60.4 | -51.5 | 174.3 | 176.9 | 73.6 | 0 | 0 | 0 | 110.6 | A33 I34 W39 S40 E41 | A33-W37 VanDerWaalsContact O-CB 3.28Å; A33-W37 WeakPolarHBondContact O-CB 2.94Å; A33-W37 PolarHBondContact O-N 3.23Å; I34-W37 PolarHBondContact O-N 3.15Å; W37-W39 VanDerWaalsContact C-N 3.33Å; W37-W39 PolarHBondContact O-N 3.44Å; W37-S40 PolarHBondContact O-N 3.47Å; W37-S40 VanDerWaalsContact O-N 3.12Å; W37-S40 PolarHBondContact O-OG 3.05Å; W37-E41 HydrophobicContact CZ2-CG 4.49Å; W37-E41 WeakPolarHBondContact CZ2-OE1 3.48Å; W37-E41 PolarHBondContact O-N 3.45Å; W37-E41 VanDerWaalsContact O-N 3.1Å |
| 38 | A | 83.3 | Confident | 77.7 | Confident | 22 Ų | 22 | 81.5 Ų | 81.5 | 18% | 0.182 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -58.6 | -43.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I34 S40 E41 K42 V60 | I34-A38 WeakPolarHBondContact O-CB 3.3Å; I34-A38 PolarHBondContact O-N 3.12Å; A38-S40 VanDerWaalsContact C-N 3.33Å; A38-S40 PolarHBondContact O-N 3.11Å; A38-E41 PolarHBondContact O-N 2.99Å; A38-K42 WeakPolarHBondContact O-CG 2.99Å; A38-K42 PolarHBondContact O-N 2.74Å; A38-V60 HydrophobicContact CB-CG1 4.39Å; A38-V60 HydrophobicContact CB-CG2 3.79Å |
| 39 | W | 83 | Confident | 75.3 | Confident | 114 Ų | 114 | 87.1 Ų | 87.1 | 43% | 0.432 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.6 | -38.2 | 176.6 | -170.5 | 14.7 | 0 | 0 | 0 | 112.5 | G35 F36 W37 K42 G43 V60 W61 L64 | G35-W39 WeakPolarHBondContact O-CB 3.4Å; G35-W39 PolarHBondContact O-N 3.26Å; F36-W39 AromaticContact CD1-CE3 3.83Å; F36-W39 HydrophobicContact CD1-CE3 3.83Å; F36-W39 HydrophobicContact CD1-CZ3 4.28Å; F36-W39 AromaticContact CE1-CE3 3.84Å; F36-W39 HydrophobicContact CE1-CE3 3.84Å; F36-W39 AromaticContact CE1-CZ3 3.82Å; F36-W39 HydrophobicContact CE1-CZ3 3.82Å; F36-W39 PolarHBondContact O-N 2.91Å; W37-W39 VanDerWaalsContact C-N 3.33Å; W37-W39 PolarHBondContact O-N 3.44Å; W39-K42 WeakPolarHBondContact O-CB 3.13Å; W39-K42 PolarHBondContact O-N 3.27Å; W39-G43 PolarHBondContact O-N 3.25Å; W39-V60 HydrophobicContact CB-CG1 4Å; W39-W61 HydrophobicContact CH2-CH2 4.44Å; W39-L64 HydrophobicContact CE3-CD1 4.19Å |
| 40 | S | 82.5 | Confident | 72.8 | Confident | 65 Ų | 65 | 91 Ų | 91 | 46% | 0.455 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.5 | -38 | 179.4 | 73.9 | 0 | 0 | 0 | 0 | 112.5 | F36 W37 A38 K42 G43 V44 | F36-S40 WeakPolarHBondContact O-CB 3.26Å; F36-S40 PolarHBondContact O-N 2.56Å; F36-S40 PolarHBondContact O-OG 2.03Å; W37-S40 PolarHBondContact O-N 3.47Å; W37-S40 VanDerWaalsContact O-N 3.12Å; W37-S40 PolarHBondContact O-OG 3.05Å; A38-S40 VanDerWaalsContact C-N 3.33Å; A38-S40 PolarHBondContact O-N 3.11Å; S40-K42 VanDerWaalsContact C-N 3.26Å; S40-K42 PolarHBondContact O-N 3.41Å; S40-G43 PolarHBondContact O-N 2.89Å; S40-G43 VanDerWaalsContact O-N 3.15Å; S40-V44 PolarHBondContact O-N 3.01Å |
| 41 | E | 76.6 | Confident | 70.3 | Confident | 117 Ų | 117 | 96.1 Ų | 96.1 | 55% | 0.547 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.6 | -35.5 | 174.5 | -70 | -163.5 | 152.3 | 0 | 0 | 111.4 | W37 A38 | W37-E41 HydrophobicContact CZ2-CG 4.49Å; W37-E41 WeakPolarHBondContact CZ2-OE1 3.48Å; W37-E41 PolarHBondContact O-N 3.45Å; W37-E41 VanDerWaalsContact O-N 3.1Å; A38-E41 PolarHBondContact O-N 2.99Å |
| 42 | K | 65.6 | Low | 67.7 | Low | 19 Ų | 19 | 97.1 Ų | 97.1 | 8% | 0.083 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -68.2 | -42.1 | 171.9 | -58.3 | -178.6 | -165.2 | -135.2 | 0 | 112.7 | A38 W39 S40 V44 L45 L46 D58 D137 | A38-K42 WeakPolarHBondContact O-CG 2.99Å; A38-K42 PolarHBondContact O-N 2.74Å; W39-K42 WeakPolarHBondContact O-CB 3.13Å; W39-K42 PolarHBondContact O-N 3.27Å; S40-K42 VanDerWaalsContact C-N 3.26Å; S40-K42 PolarHBondContact O-N 3.41Å; K42-V44 VanDerWaalsContact C-N 3.26Å; K42-V44 PolarHBondContact O-N 3.44Å; K42-L45 PolarHBondContact O-N 3.38Å; K42-L46 HydrophobicContact CB-CD1 3.93Å; K42-L46 PolarHBondContact O-N 3.44Å; K42-D58 IonicContact NZ-OD1 2.92Å; K42-D58 PolarHBondContact NZ-OD1 2.8Å; K42-D58 IonicContact NZ-OD2 3.35Å; K42-D58 PolarHBondContact NZ-OD2 2.89Å; K42-D137 WeakPolarHBondContact CD-OD2 3.42Å; K42-D137 VanDerWaalsContact CE-CG 3.49Å; K42-D137 WeakPolarHBondContact CE-OD2 3.46Å; K42-D137 IonicContact NZ-OD1 2.68Å; K42-D137 IonicContact NZ-OD2 2.65Å; K42-D137 PolarHBondContact NZ-OD2 3.47Å |
| 43 | G | 56.7 | Low | 65.1 | Low | 38 Ų | 38 | 101.4 Ų | 101.4 | 39% | 0.392 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.6 | -29.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | W39 S40 L45 | W39-G43 PolarHBondContact O-N 3.25Å; S40-G43 PolarHBondContact O-N 2.89Å; S40-G43 VanDerWaalsContact O-N 3.15Å; G43-L45 PolarHBondContact O-N 2.84Å |
| 44 | V | 52.8 | Low | 62.7 | Low | 135 Ų | 135 | 106.8 Ų | 106.8 | 82% | 0.818 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -17.7 | 175.7 | -179.6 | 0 | 0 | 0 | 0 | 112.4 | S40 K42 | S40-V44 PolarHBondContact O-N 3.01Å; K42-V44 VanDerWaalsContact C-N 3.26Å; K42-V44 PolarHBondContact O-N 3.44Å |
| 45 | L | 48.6 | Very low | 60.4 | Low | 155 Ų | 155 | 110.5 Ų | 110.5 | 81% | 0.812 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | -11 | -176.7 | -149.2 | 77 | 0 | 0 | 0 | 114.4 | K42 G43 | K42-L45 PolarHBondContact O-N 3.38Å; G43-L45 PolarHBondContact O-N 2.84Å |
| 46 | L | 51.2 | Low | 58.5 | Low | 89 Ų | 89 | 113.4 Ų | 113.4 | 47% | 0.466 | 61% | 0.605 | S | S | . | * | trans | -110.9 | 6.1 | -162 | -89.2 | 164.3 | 0 | 0 | 0 | 116.4 | K42 L48 | K42-L46 HydrophobicContact CB-CD1 3.93Å; K42-L46 PolarHBondContact O-N 3.44Å; L46-L48 PolarHBondContact O-N 3.31Å | ||
| 47 | D | 44.7 | Very low | 57 | Low | 155 Ų | 155 | 113.1 Ų | 113.1 | 83% | 0.829 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 9.1 | -165.3 | -137.5 | 8.9 | 0 | 0 | 0 | 116.1 | ||
| 48 | L | 45.9 | Very low | 56.1 | Low | 166 Ų | 166 | 107.2 Ų | 107.2 | 87% | 0.869 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.4 | -4 | -176.1 | -87 | 163.7 | 0 | 0 | 0 | 117.9 | L46 | L46-L48 PolarHBondContact O-N 3.31Š|
| 49 | T | 47 | Very low | 55.7 | Low | 117 Ų | 117 | 107.7 Ų | 107.7 | 72% | 0.718 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.6 | -8.6 | -166.8 | 10 | 0 | 0 | 0 | 0 | 120.6 | ||
| 50 | R | 45 | Very low | 55.7 | Low | 118 Ų | 118 | 102.9 Ų | 102.9 | 45% | 0.445 | 57% | 0.568 | S | S | . | * | trans | -141.7 | 35 | -170 | -83.9 | -161.3 | -178.9 | 158.9 | 6.2 | 118.8 | T52 D134 | R50-T52 PolarHBondContact O-N 3.39Å; R50-T52 VanDerWaalsContact O-N 3.16Å; R50-D134 PolarHBondContact NH1-O 3.37Å; R50-D134 IonicContact NH2-OD1 3.71Å | ||
| 51 | V | 45.6 | Very low | 55.8 | Low | 155 Ų | 155 | 106.9 Ų | 106.9 | 94% | 0.939 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -6.1 | 165.4 | -171.2 | 0 | 0 | 0 | 0 | 112.1 | ||
| 52 | T | 39.9 | Very low | 56.2 | Low | 118 Ų | 118 | 105.5 Ų | 105.5 | 72% | 0.724 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.6 | 6.2 | -168.9 | 49 | 0 | 0 | 0 | 0 | 116.8 | R50 | R50-T52 PolarHBondContact O-N 3.39Å; R50-T52 VanDerWaalsContact O-N 3.16Å |
| 53 | Q | 42.3 | Very low | 57.3 | Low | 129 Ų | 129 | 106.7 Ų | 106.7 | 60% | 0.603 | 58% | 0.578 | S | S | * | * | trans | -127.4 | 81.7 | 176.5 | -71.3 | -69.7 | -29.4 | 0 | 0 | 110.9 | H55 | Q53-H55 PolarHBondContact O-N 3.32Š| ||
| 54 | L | 43.3 | Very low | 59 | Low | 172 Ų | 172 | 106 Ų | 106 | 90% | 0.901 | 57% | 0.566 | S | S | * | * | trans | -64.1 | 77.4 | 160.5 | -87.8 | 157.5 | 0 | 0 | 0 | 109.2 | ||||
| 55 | H | 44.8 | Very low | 60.9 | Low | 173 Ų | 173 | 104 Ų | 104 | 80% | 0.801 | 55% | 0.553 | S | S | * | * | trans | -151.9 | 88.8 | 164.6 | -89 | 142.6 | 0 | 0 | 0 | 110.5 | Q53 | Q53-H55 PolarHBondContact O-N 3.32Š| ||
| 56 | G | 51.1 | Low | 63 | Low | 62 Ų | 62 | 99.9 Ų | 99.9 | 64% | 0.639 | 53% | 0.534 | S | S | * | . | trans | 169.5 | 128.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110 | D58 | G56-D58 PolarHBondContact O-N 2.77Š| ||
| 57 | F | 57.7 | Low | 65.2 | Low | 105 Ų | 105 | 95.6 Ų | 95.6 | 46% | 0.461 | 51% | 0.512 | S | S | . | . | trans | -74.7 | 102.5 | 166.4 | 175.1 | -94.3 | 0 | 0 | 0 | 107.3 | P59 L62 F124 | F57-P59 WeakPolarHBondContact O-CD 3.44Å; F57-L62 HydrophobicContact CE1-CB 4.36Å; F57-L62 HydrophobicContact CE1-CD1 4.41Å; F57-L62 HydrophobicContact CE2-CB 4.26Å; F57-L62 HydrophobicContact CE2-CD1 4.38Å; F57-L62 HydrophobicContact CZ-CB 3.59Å; F57-L62 HydrophobicContact CZ-CD1 3.54Å; F57-L62 HydrophobicContact CZ-CG 4.16Å; F57-F124 HydrophobicContact CB-CE2 4.33Å | ||
| 58 | D | 70.5 | Confident | 67.7 | Low | 28 Ų | 28 | 89.2 Ų | 89.2 | 15% | 0.15 | 48% | 0.482 | C | S | . | . | trans | -76.8 | 120.4 | 174 | -171.7 | -23.9 | 0 | 0 | 0 | 109.2 | K42 G56 V60 W61 | K42-D58 IonicContact NZ-OD1 2.92Å; K42-D58 PolarHBondContact NZ-OD1 2.8Å; K42-D58 IonicContact NZ-OD2 3.35Å; K42-D58 PolarHBondContact NZ-OD2 2.89Å; G56-D58 PolarHBondContact O-N 2.77Å; D58-V60 PolarHBondContact O-N 3.11Å; D58-V60 VanDerWaalsContact O-N 3.08Å; D58-V60 WeakPolarHBondContact OD1-CB 3.39Å; D58-V60 PolarHBondContact OD1-N 3.14Å; D58-W61 PolarHBondContact O-N 2.68Å; D58-W61 VanDerWaalsContact O-N 3.09Å | ||
| 59 | P | 75.3 | Confident | 70.1 | Confident | 32 Ų | 32 | 84.1 Ų | 84.1 | 21% | 0.208 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -53.8 | -29 | 176.7 | -26.2 | 36.3 | 0 | 0 | 0 | 113.6 | F57 W61 L62 V63 L141 | F57-P59 WeakPolarHBondContact O-CD 3.44Å; P59-W61 PolarHBondContact O-N 3.29Å; P59-L62 PolarHBondContact O-N 3.2Å; P59-V63 WeakPolarHBondContact O-CG2 3.4Å; P59-V63 PolarHBondContact O-N 3.5Å; P59-L141 HydrophobicContact CG-CD2 3.95Å |
| 60 | V | 83.1 | Confident | 72.5 | Confident | 12 Ų | 12 | 80 Ų | 80 | 7% | 0.073 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -66.2 | -37.1 | -179.8 | 176.6 | 0 | 0 | 0 | 0 | 112.1 | G35 A38 W39 D58 L62 V63 L64 | G35-V60 VanDerWaalsContact O-CG1 3.28Å; G35-V60 WeakPolarHBondContact O-CG1 2.97Å; A38-V60 HydrophobicContact CB-CG1 4.39Å; A38-V60 HydrophobicContact CB-CG2 3.79Å; W39-V60 HydrophobicContact CB-CG1 4Å; D58-V60 PolarHBondContact O-N 3.11Å; D58-V60 VanDerWaalsContact O-N 3.08Å; D58-V60 WeakPolarHBondContact OD1-CB 3.39Å; D58-V60 PolarHBondContact OD1-N 3.14Å; V60-L62 VanDerWaalsContact C-N 3.34Å; V60-L62 PolarHBondContact O-N 2.9Å; V60-V63 PolarHBondContact O-N 3.39Å; V60-L64 HydrophobicContact CG1-CD1 4.15Å; V60-L64 HydrophobicContact CG1-CG 4.44Å; V60-L64 WeakPolarHBondContact O-CG 2.94Å; V60-L64 PolarHBondContact O-N 3.28Å |
| 61 | W | 83.6 | Confident | 75 | Confident | 150 Ų | 150 | 77.7 Ų | 77.7 | 57% | 0.568 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -63.2 | -39.6 | 175.7 | -79.8 | 118.3 | 0 | 0 | 0 | 111.8 | W39 D58 P59 L64 V65 | W39-W61 HydrophobicContact CH2-CH2 4.44Å; D58-W61 PolarHBondContact O-N 2.68Å; D58-W61 VanDerWaalsContact O-N 3.09Å; P59-W61 PolarHBondContact O-N 3.29Å; W61-L64 PolarHBondContact O-N 2.87Å; W61-V65 VanDerWaalsContact O-CG2 3.3Å; W61-V65 WeakPolarHBondContact O-CG2 2.98Å; W61-V65 PolarHBondContact O-N 3.34Å |
| 62 | L | 85 | Confident | 77.5 | Confident | 87 Ų | 87 | 74.7 Ų | 74.7 | 46% | 0.455 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 175.7 | 178.2 | 152.4 | 0 | 0 | 0 | 111.2 | F57 P59 V60 L64 V65 V66 | F57-L62 HydrophobicContact CE1-CB 4.36Å; F57-L62 HydrophobicContact CE1-CD1 4.41Å; F57-L62 HydrophobicContact CE2-CB 4.26Å; F57-L62 HydrophobicContact CE2-CD1 4.38Å; F57-L62 HydrophobicContact CZ-CB 3.59Å; F57-L62 HydrophobicContact CZ-CD1 3.54Å; F57-L62 HydrophobicContact CZ-CG 4.16Å; P59-L62 PolarHBondContact O-N 3.2Å; V60-L62 VanDerWaalsContact C-N 3.34Å; V60-L62 PolarHBondContact O-N 2.9Å; L62-L64 VanDerWaalsContact C-N 3.3Å; L62-L64 PolarHBondContact O-N 3.19Å; L62-V65 PolarHBondContact O-N 3.35Å; L62-V66 HydrophobicContact CD2-CG2 3.96Å; L62-V66 HydrophobicContact CG-CG2 4.24Å; L62-V66 WeakPolarHBondContact O-CB 3.38Å; L62-V66 WeakPolarHBondContact O-CG2 3.5Å; L62-V66 PolarHBondContact O-N 3.39Å |
| 63 | V | 89.8 | Confident | 80.2 | Confident | 45 Ų | 45 | 69.9 Ų | 69.9 | 27% | 0.273 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 179.4 | 175 | 0 | 0 | 0 | 0 | 110.9 | F31 P59 V60 G67 | F31-V63 HydrophobicContact CB-CG1 4.34Å; F31-V63 HydrophobicContact CD1-CG1 4.33Å; P59-V63 WeakPolarHBondContact O-CG2 3.4Å; P59-V63 PolarHBondContact O-N 3.5Å; V60-V63 PolarHBondContact O-N 3.39Å; V63-G67 PolarHBondContact O-N 3.49Å |
| 64 | L | 91.6 | Very high | 82.8 | Confident | 24 Ų | 24 | 63.7 Ų | 63.7 | 13% | 0.126 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.6 | -43.4 | 176.8 | -74 | 174.2 | 0 | 0 | 0 | 112.7 | F36 W39 V60 W61 L62 G68 | F36-L64 HydrophobicContact CD2-CD2 4.18Å; F36-L64 HydrophobicContact CE2-CD2 4.32Å; F36-L64 HydrophobicContact CG-CD2 4.35Å; W39-L64 HydrophobicContact CE3-CD1 4.19Å; V60-L64 HydrophobicContact CG1-CD1 4.15Å; V60-L64 HydrophobicContact CG1-CG 4.44Å; V60-L64 WeakPolarHBondContact O-CG 2.94Å; V60-L64 PolarHBondContact O-N 3.28Å; W61-L64 PolarHBondContact O-N 2.87Å; L62-L64 VanDerWaalsContact C-N 3.3Å; L62-L64 PolarHBondContact O-N 3.19Å; L64-G68 PolarHBondContact O-N 2.96Å |
| 65 | V | 92.7 | Very high | 85.3 | Confident | 91 Ų | 91 | 60.3 Ų | 60.3 | 55% | 0.552 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -65.4 | -48 | 178.5 | 170.1 | 0 | 0 | 0 | 0 | 111 | W61 L62 G68 V69 | W61-V65 VanDerWaalsContact O-CG2 3.3Å; W61-V65 WeakPolarHBondContact O-CG2 2.98Å; W61-V65 PolarHBondContact O-N 3.34Å; L62-V65 PolarHBondContact O-N 3.35Å; V65-G68 PolarHBondContact O-N 2.87Å; V65-V69 WeakPolarHBondContact O-CG2 3.28Å; V65-V69 PolarHBondContact O-N 3.09Å |
| 66 | V | 93.9 | Very high | 87.8 | Confident | 69 Ų | 69 | 52.3 Ų | 52.3 | 42% | 0.418 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 178.3 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | L62 T70 | L62-V66 HydrophobicContact CD2-CG2 3.96Å; L62-V66 HydrophobicContact CG-CG2 4.24Å; L62-V66 WeakPolarHBondContact O-CB 3.38Å; L62-V66 WeakPolarHBondContact O-CG2 3.5Å; L62-V66 PolarHBondContact O-N 3.39Å; V66-T70 WeakPolarHBondContact O-CB 3.16Å; V66-T70 PolarHBondContact O-N 3.31Å; V66-T70 PolarHBondContact O-OG1 3Å |
| 67 | G | 96.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.5 | -45 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V63 T70 F71 | V63-G67 PolarHBondContact O-N 3.49Å; G67-T70 PolarHBondContact O-N 2.84Å; G67-F71 VanDerWaalsContact O-CB 3.26Å; G67-F71 WeakPolarHBondContact O-CB 3.24Å; G67-F71 PolarHBondContact O-N 2.88Å |
| 68 | G | 97.1 | Very high | 91.8 | Very high | 20 Ų | 20 | 44.8 Ų | 44.8 | 21% | 0.206 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.5 | -51.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | L64 V65 T70 F71 I72 | L64-G68 PolarHBondContact O-N 2.96Å; V65-G68 PolarHBondContact O-N 2.87Å; G68-T70 VanDerWaalsContact C-N 3.35Å; G68-T70 PolarHBondContact O-N 3.24Å; G68-F71 PolarHBondContact O-N 3.3Å; G68-I72 VanDerWaalsContact O-CG1 3.31Å; G68-I72 WeakPolarHBondContact O-CG1 3.36Å; G68-I72 PolarHBondContact O-N 3.1Å |
| 69 | V | 96.3 | Very high | 93 | Very high | 60 Ų | 60 | 45.4 Ų | 45.4 | 36% | 0.364 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.9 | -45.5 | 177.7 | 172 | 0 | 0 | 0 | 0 | 110.8 | V65 F71 I72 L73 I99 | V65-V69 WeakPolarHBondContact O-CG2 3.28Å; V65-V69 PolarHBondContact O-N 3.09Å; V69-F71 PolarHBondContact O-N 3.49Å; V69-I72 PolarHBondContact O-N 3.07Å; V69-L73 HydrophobicContact CG1-CD1 3.93Å; V69-L73 WeakPolarHBondContact O-CB 3.41Å; V69-L73 WeakPolarHBondContact O-CG 2.95Å; V69-L73 PolarHBondContact O-N 2.04Å; V69-I99 HydrophobicContact CG1-CD1 4.26Å |
| 70 | T | 96.8 | Very high | 93.9 | Very high | 31 Ų | 31 | 43.9 Ų | 43.9 | 19% | 0.19 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64 | -40.8 | 179.6 | -52.4 | 0 | 0 | 0 | 0 | 111.6 | F24 V66 G67 G68 G74 | F24-T70 HydrophobicContact CB-CG2 4.09Å; F24-T70 HydrophobicContact CD1-CG2 4.35Å; F24-T70 WeakPolarHBondContact O-CG2 3.23Å; V66-T70 WeakPolarHBondContact O-CB 3.16Å; V66-T70 PolarHBondContact O-N 3.31Å; V66-T70 PolarHBondContact O-OG1 3Å; G67-T70 PolarHBondContact O-N 2.84Å; G68-T70 VanDerWaalsContact C-N 3.35Å; G68-T70 PolarHBondContact O-N 3.24Å; T70-G74 PolarHBondContact O-N 3.46Å |
| 71 | F | 98 | Very high | 94.4 | Very high | 68 Ų | 68 | 43.3 Ų | 43.3 | 30% | 0.298 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.6 | -47.6 | 176.4 | 179.8 | -90.6 | 0 | 0 | 0 | 111.9 | W25 A29 I32 G67 G68 V69 L73 G74 F75 | W25-F71 AromaticContact CD1-CD2 3.56Å; W25-F71 AromaticContact CD1-CE2 3.65Å; W25-F71 AromaticContact CE2-CE2 3.78Å; W25-F71 HydrophobicContact CZ2-CE2 4.29Å; W25-F71 HydrophobicContact CZ2-CZ 4.45Å; W25-F71 AromaticContact NE1-CD2 3.45Å; W25-F71 AromaticContact NE1-CE1 3.99Å; W25-F71 AromaticContact NE1-CE2 3.01Å; W25-F71 AromaticContact NE1-CZ 3.32Å; W25-F71 VanDerWaalsContact NE1-CZ 3.32Å; A29-F71 HydrophobicContact CB-CD2 3.99Å; A29-F71 HydrophobicContact CB-CE2 4.14Å; I32-F71 HydrophobicContact CD1-CB 3.67Å; I32-F71 HydrophobicContact CD1-CD2 4.31Å; I32-F71 HydrophobicContact CD1-CG 3.94Å; G67-F71 VanDerWaalsContact O-CB 3.26Å; G67-F71 WeakPolarHBondContact O-CB 3.24Å; G67-F71 PolarHBondContact O-N 2.88Å; G68-F71 PolarHBondContact O-N 3.3Å; V69-F71 PolarHBondContact O-N 3.49Å; F71-L73 PolarHBondContact O-N 2.9Å; F71-G74 PolarHBondContact O-N 2.86Å; F71-F75 VanDerWaalsContact O-CB 3.27Å; F71-F75 WeakPolarHBondContact O-CB 3.42Å; F71-F75 PolarHBondContact O-N 2.95Å |
| 72 | I | 97.4 | Very high | 94.9 | Very high | 92 Ų | 92 | 39.9 Ų | 39.9 | 47% | 0.472 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62 | -45 | 179 | -68.9 | 166.6 | 0 | 0 | 0 | 110.5 | G68 V69 F75 A76 F91 | G68-I72 VanDerWaalsContact O-CG1 3.31Å; G68-I72 WeakPolarHBondContact O-CG1 3.36Å; G68-I72 PolarHBondContact O-N 3.1Å; V69-I72 PolarHBondContact O-N 3.07Å; I72-F75 PolarHBondContact O-N 3.5Å; I72-A76 VanDerWaalsContact O-CB 3.29Å; I72-A76 WeakPolarHBondContact O-CB 3.31Å; I72-A76 PolarHBondContact O-N 2.98Å; I72-F91 HydrophobicContact CG2-CE1 4.14Å; I72-F91 HydrophobicContact CG2-CZ 4.4Å |
| 73 | L | 96.9 | Very high | 95.3 | Very high | 17 Ų | 17 | 45.4 Ų | 45.4 | 9% | 0.089 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.3 | -49.2 | 176.7 | -78.6 | 173.8 | 0 | 0 | 0 | 111.9 | V69 F71 F75 A76 G77 F92 L95 I96 I99 | V69-L73 HydrophobicContact CG1-CD1 3.93Å; V69-L73 WeakPolarHBondContact O-CB 3.41Å; V69-L73 WeakPolarHBondContact O-CG 2.95Å; V69-L73 PolarHBondContact O-N 2.04Å; F71-L73 PolarHBondContact O-N 2.9Å; L73-F75 VanDerWaalsContact C-N 3.34Å; L73-F75 PolarHBondContact O-N 3.07Å; L73-A76 PolarHBondContact O-N 3.18Å; L73-G77 PolarHBondContact O-N 2.89Å; L73-F92 HydrophobicContact CB-CD2 4.4Å; L73-F92 HydrophobicContact CB-CE2 4.46Å; L73-F92 HydrophobicContact CD2-CD2 4.01Å; L73-F92 VanDerWaalsContact O-CD2 3.31Å; L73-F92 WeakPolarHBondContact O-CD2 3.32Å; L73-L95 HydrophobicContact CD1-CD2 4.46Å; L73-L95 HydrophobicContact CD2-CB 3.9Å; L73-L95 HydrophobicContact CD2-CD2 3.61Å; L73-L95 HydrophobicContact CD2-CG 3.88Å; L73-L95 HydrophobicContact CG-CD2 4.03Å; L73-I96 HydrophobicContact CD1-CG1 4.37Å; L73-I96 HydrophobicContact CD2-CG1 4.26Å; L73-I99 HydrophobicContact CD1-CD1 3.77Å |
| 74 | G | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.6 | -42.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T70 F71 G77 C78 | T70-G74 PolarHBondContact O-N 3.46Å; F71-G74 PolarHBondContact O-N 2.86Å; G74-G77 PolarHBondContact O-N 3.31Å; G74-C78 WeakPolarHBondContact O-CB 3.43Å; G74-C78 PolarHBondContact O-N 2.99Å; G74-C78 PolarHBondContact O-SG 3.37Å |
| 75 | F | 96.2 | Very high | 95.5 | Very high | 101 Ų | 101 | 49 Ų | 49 | 44% | 0.443 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.2 | -49.9 | 175.5 | 177.7 | -100.5 | 0 | 0 | 0 | 111.7 | F71 I72 L73 G77 C78 V79 | F71-F75 VanDerWaalsContact O-CB 3.27Å; F71-F75 WeakPolarHBondContact O-CB 3.42Å; F71-F75 PolarHBondContact O-N 2.95Å; I72-F75 PolarHBondContact O-N 3.5Å; L73-F75 VanDerWaalsContact C-N 3.34Å; L73-F75 PolarHBondContact O-N 3.07Å; F75-G77 VanDerWaalsContact C-N 3.32Å; F75-G77 PolarHBondContact O-N 3.05Å; F75-C78 PolarHBondContact O-N 3.27Å; F75-V79 HydrophobicContact CD1-CG2 4.47Å; F75-V79 HydrophobicContact CD2-CG2 4Å; F75-V79 HydrophobicContact CE1-CG2 4.15Å; F75-V79 HydrophobicContact CE2-CG2 3.64Å; F75-V79 HydrophobicContact CG-CG2 4.41Å; F75-V79 HydrophobicContact CZ-CG2 3.73Å; F75-V79 WeakPolarHBondContact O-CB 3.49Å; F75-V79 WeakPolarHBondContact O-CG2 3.39Å; F75-V79 PolarHBondContact O-N 3.06Å |
| 76 | A | 97.1 | Very high | 95.6 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 3% | 0.033 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.6 | -40.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I72 L73 G80 L88 F91 | I72-A76 VanDerWaalsContact O-CB 3.29Å; I72-A76 WeakPolarHBondContact O-CB 3.31Å; I72-A76 PolarHBondContact O-N 2.98Å; L73-A76 PolarHBondContact O-N 3.18Å; A76-G80 VanDerWaalsContact O-CA 3.31Å; A76-G80 WeakPolarHBondContact O-CA 3.27Å; A76-G80 PolarHBondContact O-N 2.82Å; A76-L88 HydrophobicContact CB-CD2 4.47Å; A76-F91 HydrophobicContact CB-CD1 4.05Å; A76-F91 HydrophobicContact CB-CE1 4.31Å |
| 77 | G | 96.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.4 | -45.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L73 G74 F75 A81 | L73-G77 PolarHBondContact O-N 2.89Å; G74-G77 PolarHBondContact O-N 3.31Å; F75-G77 VanDerWaalsContact C-N 3.32Å; F75-G77 PolarHBondContact O-N 3.05Å; G77-A81 WeakPolarHBondContact O-CB 2.9Å; G77-A81 PolarHBondContact O-N 3.35Å |
| 78 | C | 96.2 | Very high | 95.7 | Very high | 9 Ų | 9 | 49.2 Ų | 49.2 | 6% | 0.061 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.2 | -52.8 | 177.7 | -70.7 | 0 | 0 | 0 | 0 | 112.2 | F18 N21 I22 G74 F75 A81 L82 | F18-C78 HydrophobicContact CD2-CB 4.03Å; F18-C78 HydrophobicContact CE2-CB 4.13Å; N21-C78 WeakPolarHBondContact CB-SG 3.45Å; I22-C78 PolarHBondContact N-SG 2.88Å; I22-C78 VanDerWaalsContact N-SG 3.39Å; G74-C78 WeakPolarHBondContact O-CB 3.43Å; G74-C78 PolarHBondContact O-N 2.99Å; G74-C78 PolarHBondContact O-SG 3.37Å; F75-C78 PolarHBondContact O-N 3.27Å; C78-A81 PolarHBondContact O-N 2.96Å; C78-L82 WeakPolarHBondContact O-CG 3.36Å; C78-L82 PolarHBondContact O-N 2.93Å |
| 79 | V | 96.3 | Very high | 95.6 | Very high | 41 Ų | 41 | 48.2 Ų | 48.2 | 25% | 0.248 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.1 | -40.3 | -179.1 | 177.3 | 0 | 0 | 0 | 0 | 110.4 | F75 A81 L82 R83 L88 | F75-V79 HydrophobicContact CD1-CG2 4.47Å; F75-V79 HydrophobicContact CD2-CG2 4Å; F75-V79 HydrophobicContact CE1-CG2 4.15Å; F75-V79 HydrophobicContact CE2-CG2 3.64Å; F75-V79 HydrophobicContact CG-CG2 4.41Å; F75-V79 HydrophobicContact CZ-CG2 3.73Å; F75-V79 WeakPolarHBondContact O-CB 3.49Å; F75-V79 WeakPolarHBondContact O-CG2 3.39Å; F75-V79 PolarHBondContact O-N 3.06Å; V79-A81 VanDerWaalsContact C-N 3.3Å; V79-A81 PolarHBondContact O-N 3.1Å; V79-L82 PolarHBondContact O-N 2.87Å; V79-R83 HydrophobicContact CG1-CB 4.44Å; V79-R83 HydrophobicContact CG1-CG 3.85Å; V79-R83 WeakPolarHBondContact O-CB 3.5Å; V79-R83 PolarHBondContact O-N 3.49Å; V79-L88 HydrophobicContact CB-CD1 4.14Å; V79-L88 HydrophobicContact CG1-CD1 3.68Å |
| 80 | G | 94.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.8 | -43.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A76 E84 N85 | A76-G80 VanDerWaalsContact O-CA 3.31Å; A76-G80 WeakPolarHBondContact O-CA 3.27Å; A76-G80 PolarHBondContact O-N 2.82Å; G80-E84 CarbonylContact O-C 3.58Å; G80-E84 WeakPolarHBondContact O-CA 3.49Å; G80-E84 PolarHBondContact O-N 2.8Å; G80-E84 VanDerWaalsContact O-N 3.12Å; G80-N85 PolarHBondContact O-N 3.45Å |
| 81 | A | 93.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.7 | -47.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K14 M17 G77 C78 V79 E84 L255 | K14-A81 WeakPolarHBondContact CE-O 3.45Å; M17-A81 HydrophobicContact CB-CB 4.17Å; M17-A81 HydrophobicContact CG-CB 3.79Å; G77-A81 WeakPolarHBondContact O-CB 2.9Å; G77-A81 PolarHBondContact O-N 3.35Å; C78-A81 PolarHBondContact O-N 2.96Å; V79-A81 VanDerWaalsContact C-N 3.3Å; V79-A81 PolarHBondContact O-N 3.1Å; A81-E84 PolarHBondContact O-N 3.21Å; A81-L255 HydrophobicContact CB-CD2 3.89Å |
| 82 | L | 92.8 | Very high | 95.6 | Very high | 78 Ų | 78 | 49.9 Ų | 49.9 | 41% | 0.408 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -70.7 | -39.2 | -175.9 | -70.6 | 178.9 | 0 | 0 | 0 | 113.3 | K14 F18 C78 V79 E84 | K14-L82 PolarHBondContact NZ-O 3.09Å; F18-L82 HydrophobicContact CD2-CD1 3.77Å; F18-L82 HydrophobicContact CD2-CD2 4.13Å; F18-L82 HydrophobicContact CD2-CG 3.82Å; F18-L82 HydrophobicContact CE2-CD1 3.63Å; F18-L82 HydrophobicContact CE2-CG 4.21Å; F18-L82 HydrophobicContact CG-CD2 4.33Å; F18-L82 HydrophobicContact CG-CG 4.47Å; F18-L82 HydrophobicContact CZ-CD1 4.45Å; C78-L82 WeakPolarHBondContact O-CG 3.36Å; C78-L82 PolarHBondContact O-N 2.93Å; V79-L82 PolarHBondContact O-N 2.87Å; L82-E84 VanDerWaalsContact C-N 3.34Å |
| 83 | R | 93.5 | Very high | 95.6 | Very high | 204 Ų | 204 | 45.6 Ų | 45.6 | 77% | 0.77 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 0.5 | 179.4 | -61.5 | -65.4 | -169.6 | 174 | 0.3 | 113.2 | V79 N85 | V79-R83 HydrophobicContact CG1-CB 4.44Å; V79-R83 HydrophobicContact CG1-CG 3.85Å; V79-R83 WeakPolarHBondContact O-CB 3.5Å; V79-R83 PolarHBondContact O-N 3.49Å; R83-N85 HydrophobicContact CB-CB 4.4Å; R83-N85 PolarHBondContact O-N 3.38Å; R83-N85 VanDerWaalsContact O-N 3.13Å |
| 84 | E | 93.1 | Very high | 95.6 | Very high | 78 Ų | 78 | 46.6 Ų | 46.6 | 36% | 0.364 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 37.2 | -177.5 | -66.8 | 164.4 | -157 | 0 | 0 | 111.8 | K14 G80 A81 L82 I86 I259 | K14-E84 IonicContact NZ-OE1 2.71Å; K14-E84 PolarHBondContact NZ-OE1 3.2Å; G80-E84 CarbonylContact O-C 3.58Å; G80-E84 WeakPolarHBondContact O-CA 3.49Å; G80-E84 PolarHBondContact O-N 2.8Å; G80-E84 VanDerWaalsContact O-N 3.12Å; A81-E84 PolarHBondContact O-N 3.21Å; L82-E84 VanDerWaalsContact C-N 3.34Å; E84-I86 PolarHBondContact O-N 3.1Å; E84-I259 HydrophobicContact CB-CD1 3.78Å; E84-I259 HydrophobicContact CB-CG1 4.03Å; E84-I259 HydrophobicContact CB-CG2 4.4Å; E84-I259 HydrophobicContact CG-CD1 4.14Å; E84-I259 HydrophobicContact CG-CG1 4.21Å |
| 85 | N | 94.1 | Very high | 95.6 | Very high | 65 Ų | 65 | 49 Ų | 49 | 35% | 0.348 | 25% | 0.247 | S | C | . | . | trans | -88.5 | 101.4 | -175.7 | -174 | -28.8 | 0 | 0 | 0 | 110.2 | G80 R83 C87 L88 L89 | G80-N85 PolarHBondContact O-N 3.45Å; R83-N85 HydrophobicContact CB-CB 4.4Å; R83-N85 PolarHBondContact O-N 3.38Å; R83-N85 VanDerWaalsContact O-N 3.13Å; N85-C87 PolarHBondContact O-N 2.89Å; N85-C87 WeakPolarHBondContact OD1-CB 3.44Å; N85-C87 PolarHBondContact OD1-N 2.88Å; N85-L88 HydrophobicContact CB-CB 4.28Å; N85-L88 HydrophobicContact CB-CD1 4.08Å; N85-L88 HydrophobicContact CB-CG 4.32Å; N85-L88 PolarHBondContact O-N 3.38Å; N85-L88 PolarHBondContact OD1-N 3.37Å; N85-L89 PolarHBondContact O-N 3.31Å; N85-L89 VanDerWaalsContact O-N 3.1Å | ||
| 86 | I | 93.8 | Very high | 95.6 | Very high | 22 Ų | 22 | 44.9 Ų | 44.9 | 11% | 0.113 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.7 | -37.3 | 179.8 | -63.9 | 166.6 | 0 | 0 | 0 | 112.2 | E84 L89 K90 I256 I259 E260 | E84-I86 PolarHBondContact O-N 3.1Å; I86-L89 PolarHBondContact O-N 3.4Å; I86-K90 HydrophobicContact CG2-CD 3.77Å; I86-K90 VanDerWaalsContact CG2-CE 3.42Å; I86-K90 HydrophobicContact CG2-CG 4.14Å; I86-K90 WeakPolarHBondContact O-CB 3.4Å; I86-K90 WeakPolarHBondContact O-CG 3.4Å; I86-K90 PolarHBondContact O-N 2.68Å; I86-I256 HydrophobicContact CG2-CG2 4.07Å; I86-I259 HydrophobicContact CD1-CB 4.47Å; I86-I259 HydrophobicContact CD1-CG2 3.83Å; I86-I259 HydrophobicContact CG1-CB 4.25Å; I86-I259 HydrophobicContact CG1-CG2 3.8Å; I86-E260 HydrophobicContact CD1-CG 3.71Å |
| 87 | C | 96.1 | Very high | 95.6 | Very high | 95 Ų | 95 | 45.3 Ų | 45.3 | 64% | 0.642 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -64.5 | -45.9 | -178.9 | -172.5 | 0 | 0 | 0 | 0 | 111.1 | N85 K90 F91 | N85-C87 PolarHBondContact O-N 2.89Å; N85-C87 WeakPolarHBondContact OD1-CB 3.44Å; N85-C87 PolarHBondContact OD1-N 2.88Å; C87-K90 PolarHBondContact O-N 2.65Å; C87-F91 WeakPolarHBondContact O-CB 3.4Å; C87-F91 PolarHBondContact O-N 2.7Å |
| 88 | L | 96.3 | Very high | 95.7 | Very high | 48 Ų | 48 | 51.1 Ų | 51.1 | 25% | 0.251 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 176.8 | -71.9 | 175.7 | 0 | 0 | 0 | 112.2 | A76 V79 N85 F91 F92 | A76-L88 HydrophobicContact CB-CD2 4.47Å; V79-L88 HydrophobicContact CB-CD1 4.14Å; V79-L88 HydrophobicContact CG1-CD1 3.68Å; N85-L88 HydrophobicContact CB-CB 4.28Å; N85-L88 HydrophobicContact CB-CD1 4.08Å; N85-L88 HydrophobicContact CB-CG 4.32Å; N85-L88 PolarHBondContact O-N 3.38Å; N85-L88 PolarHBondContact OD1-N 3.37Å; L88-F91 PolarHBondContact O-N 3.12Å; L88-F92 WeakPolarHBondContact O-CB 3.03Å; L88-F92 PolarHBondContact O-N 2.83Å |
| 89 | L | 95.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.2 | -36.3 | 176.2 | -68.1 | 170.7 | 0 | 0 | 0 | 112.3 | M17 N85 I86 S93 L255 I256 I259 | M17-L89 HydrophobicContact CE-CD2 3.94Å; N85-L89 PolarHBondContact O-N 3.31Å; N85-L89 VanDerWaalsContact O-N 3.1Å; I86-L89 PolarHBondContact O-N 3.4Å; L89-S93 WeakPolarHBondContact O-CB 3.28Å; L89-S93 PolarHBondContact O-N 3.43Å; L89-S93 PolarHBondContact O-OG 2.61Å; L89-L255 HydrophobicContact CD1-CB 4.47Å; L89-L255 HydrophobicContact CD1-CD2 3.93Å; L89-L255 HydrophobicContact CD1-CG 4.03Å; L89-L255 HydrophobicContact CD2-CD2 4.28Å; L89-I256 HydrophobicContact CB-CD1 3.72Å; L89-I256 HydrophobicContact CB-CG1 3.55Å; L89-I256 HydrophobicContact CD1-CG1 4Å; L89-I256 HydrophobicContact CG-CG1 4.43Å; L89-I259 HydrophobicContact CD1-CD1 3.73Å |
| 90 | K | 96.4 | Very high | 95.7 | Very high | 92 Ų | 92 | 53.3 Ų | 53.3 | 40% | 0.4 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.1 | -43 | 173.7 | -77.2 | 179.7 | -179.3 | 169.2 | 0 | 111.2 | I86 C87 S93 G94 I256 E260 | I86-K90 HydrophobicContact CG2-CD 3.77Å; I86-K90 VanDerWaalsContact CG2-CE 3.42Å; I86-K90 HydrophobicContact CG2-CG 4.14Å; I86-K90 WeakPolarHBondContact O-CB 3.4Å; I86-K90 WeakPolarHBondContact O-CG 3.4Å; I86-K90 PolarHBondContact O-N 2.68Å; C87-K90 PolarHBondContact O-N 2.65Å; K90-S93 PolarHBondContact O-OG 3.41Å; K90-G94 PolarHBondContact O-N 3.39Å; K90-I256 HydrophobicContact CG-CD1 3.81Å; K90-E260 IonicContact NZ-OE1 2.91Å; K90-E260 PolarHBondContact NZ-OE1 3.5Å |
| 91 | F | 97.2 | Very high | 95.8 | Very high | 100 Ų | 100 | 59.6 Ų | 59.6 | 44% | 0.439 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.3 | -51.2 | 173.3 | 171.6 | -99.6 | 0 | 0 | 0 | 111.5 | I72 A76 C87 L88 G94 L95 | I72-F91 HydrophobicContact CG2-CE1 4.14Å; I72-F91 HydrophobicContact CG2-CZ 4.4Å; A76-F91 HydrophobicContact CB-CD1 4.05Å; A76-F91 HydrophobicContact CB-CE1 4.31Å; C87-F91 WeakPolarHBondContact O-CB 3.4Å; C87-F91 PolarHBondContact O-N 2.7Å; L88-F91 PolarHBondContact O-N 3.12Å; F91-G94 PolarHBondContact O-N 2.72Å; F91-L95 HydrophobicContact CE1-CD2 4.28Å; F91-L95 HydrophobicContact CE2-CD2 4.44Å; F91-L95 HydrophobicContact CZ-CD2 3.85Å; F91-L95 WeakPolarHBondContact O-CB 3.33Å; F91-L95 PolarHBondContact O-N 3.44Å |
| 92 | F | 96.8 | Very high | 95.9 | Very high | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.009 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56.3 | -54.3 | 178.3 | 170.1 | -93.4 | 0 | 0 | 0 | 112.2 | M17 Y20 N21 L73 L88 G94 L95 I96 A252 | M17-F92 HydrophobicContact CE-CD1 3.64Å; M17-F92 HydrophobicContact CE-CE1 3.39Å; M17-F92 HydrophobicContact CE-CG 4.39Å; M17-F92 HydrophobicContact CE-CZ 3.92Å; M17-F92 HydrophobicContact SD-CE1 4.5Å; Y20-F92 HydrophobicContact CE1-CZ 4.25Å; N21-F92 WeakPolarHBondContact OD1-CE2 3.43Å; N21-F92 WeakPolarHBondContact OD1-CZ 3.34Å; L73-F92 HydrophobicContact CB-CD2 4.4Å; L73-F92 HydrophobicContact CB-CE2 4.46Å; L73-F92 HydrophobicContact CD2-CD2 4.01Å; L73-F92 VanDerWaalsContact O-CD2 3.31Å; L73-F92 WeakPolarHBondContact O-CD2 3.32Å; L88-F92 WeakPolarHBondContact O-CB 3.03Å; L88-F92 PolarHBondContact O-N 2.83Å; F92-G94 VanDerWaalsContact C-N 3.34Å; F92-G94 PolarHBondContact O-N 3.15Å; F92-L95 PolarHBondContact O-N 2.95Å; F92-I96 HydrophobicContact CD1-CD1 4.43Å; F92-I96 HydrophobicContact CD2-CD1 4.26Å; F92-I96 HydrophobicContact CE1-CD1 3.65Å; F92-I96 HydrophobicContact CE2-CD1 3.48Å; F92-I96 VanDerWaalsContact CE2-CD1 3.48Å; F92-I96 HydrophobicContact CE2-CG1 4.24Å; F92-I96 HydrophobicContact CZ-CD1 3.15Å; F92-I96 HydrophobicContact CZ-CG1 4.22Å; F92-I96 PolarHBondContact O-N 3.01Å; F92-A252 HydrophobicContact CD1-CB 3.9Å; F92-A252 HydrophobicContact CE1-CB 4.14Å |
| 93 | S | 96.9 | Very high | 96 | Very high | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.014 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.1 | -33 | -177.9 | 58.3 | 0 | 0 | 0 | 0 | 113 | L89 K90 G97 | L89-S93 WeakPolarHBondContact O-CB 3.28Å; L89-S93 PolarHBondContact O-N 3.43Å; L89-S93 PolarHBondContact O-OG 2.61Å; K90-S93 PolarHBondContact O-OG 3.41Å; S93-G97 PolarHBondContact O-N 3.27Å |
| 94 | G | 97.2 | Very high | 96 | Very high | 37 Ų | 37 | 55.5 Ų | 55.5 | 38% | 0.381 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.8 | -45.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K90 F91 F92 G97 F98 | K90-G94 PolarHBondContact O-N 3.39Å; F91-G94 PolarHBondContact O-N 2.72Å; F92-G94 VanDerWaalsContact C-N 3.34Å; F92-G94 PolarHBondContact O-N 3.15Å; G94-G97 PolarHBondContact O-N 2.94Å; G94-F98 PolarHBondContact O-N 2.93Å |
| 95 | L | 97 | Very high | 96.1 | Very high | 52 Ų | 52 | 55.1 Ų | 55.1 | 27% | 0.272 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -71 | -39.5 | -179.2 | -174.3 | 58.3 | 0 | 0 | 0 | 112.2 | L73 F91 F92 G97 F98 I99 | L73-L95 HydrophobicContact CD1-CD2 4.46Å; L73-L95 HydrophobicContact CD2-CB 3.9Å; L73-L95 HydrophobicContact CD2-CD2 3.61Å; L73-L95 HydrophobicContact CD2-CG 3.88Å; L73-L95 HydrophobicContact CG-CD2 4.03Å; F91-L95 HydrophobicContact CE1-CD2 4.28Å; F91-L95 HydrophobicContact CE2-CD2 4.44Å; F91-L95 HydrophobicContact CZ-CD2 3.85Å; F91-L95 WeakPolarHBondContact O-CB 3.33Å; F91-L95 PolarHBondContact O-N 3.44Å; F92-L95 PolarHBondContact O-N 2.95Å; L95-G97 VanDerWaalsContact C-N 3.34Å; L95-F98 HydrophobicContact CD1-CD1 4.27Å; L95-F98 PolarHBondContact O-N 3.15Å; L95-I99 HydrophobicContact CG-CD1 4.34Å; L95-I99 WeakPolarHBondContact O-CG1 3.06Å; L95-I99 PolarHBondContact O-N 3.2Å |
| 96 | I | 96.9 | Very high | 96 | Very high | 13 Ų | 13 | 56.7 Ų | 56.7 | 7% | 0.067 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62 | -43.2 | 170.5 | -69.1 | -167.9 | 0 | 0 | 0 | 110.9 | L73 F92 F98 I99 F100 Q245 I249 | L73-I96 HydrophobicContact CD1-CG1 4.37Å; L73-I96 HydrophobicContact CD2-CG1 4.26Å; F92-I96 HydrophobicContact CD1-CD1 4.43Å; F92-I96 HydrophobicContact CD2-CD1 4.26Å; F92-I96 HydrophobicContact CE1-CD1 3.65Å; F92-I96 HydrophobicContact CE2-CD1 3.48Å; F92-I96 VanDerWaalsContact CE2-CD1 3.48Å; F92-I96 HydrophobicContact CE2-CG1 4.24Å; F92-I96 HydrophobicContact CZ-CD1 3.15Å; F92-I96 HydrophobicContact CZ-CG1 4.22Å; F92-I96 PolarHBondContact O-N 3.01Å; I96-F98 VanDerWaalsContact C-N 3.3Å; I96-F98 PolarHBondContact O-N 2.98Å; I96-I99 PolarHBondContact O-N 3.22Å; I96-F100 PolarHBondContact O-N 3.37Å; I96-Q245 HydrophobicContact CG2-CB 3.74Å; I96-Q245 HydrophobicContact CG2-CG 4.05Å; I96-I249 HydrophobicContact CB-CG1 4.22Å; I96-I249 HydrophobicContact CG2-CD1 3.92Å; I96-I249 HydrophobicContact CG2-CG1 3.74Å |
| 97 | G | 97.3 | Very high | 95.9 | Very high | 14 Ų | 14 | 57.2 Ų | 57.2 | 14% | 0.144 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.8 | -42 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S93 G94 L95 F100 F101 | S93-G97 PolarHBondContact O-N 3.27Å; G94-G97 PolarHBondContact O-N 2.94Å; L95-G97 VanDerWaalsContact C-N 3.34Å; G97-F100 PolarHBondContact O-N 3.38Å; G97-F101 WeakPolarHBondContact O-CD2 3.22Å; G97-F101 PolarHBondContact O-N 2.88Å; G97-F101 VanDerWaalsContact O-N 3.12Å |
| 98 | F | 97.1 | Very high | 95.7 | Very high | 121 Ų | 121 | 56.5 Ų | 56.5 | 53% | 0.531 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 174.7 | 177.2 | -106.3 | 0 | 0 | 0 | 112.4 | G94 L95 I96 F100 F101 L102 | G94-F98 PolarHBondContact O-N 2.93Å; L95-F98 HydrophobicContact CD1-CD1 4.27Å; L95-F98 PolarHBondContact O-N 3.15Å; I96-F98 VanDerWaalsContact C-N 3.3Å; I96-F98 PolarHBondContact O-N 2.98Å; F98-F100 VanDerWaalsContact C-N 3.35Å; F98-F100 PolarHBondContact O-N 3.37Å; F98-F101 PolarHBondContact O-N 3.25Å; F98-L102 HydrophobicContact CD1-CD1 3.99Å; F98-L102 HydrophobicContact CD1-CG 4.47Å; F98-L102 HydrophobicContact CE1-CD1 3.37Å; F98-L102 HydrophobicContact CE1-CG 4.06Å; F98-L102 HydrophobicContact CE2-CD1 4.47Å; F98-L102 HydrophobicContact CE2-CD2 4.49Å; F98-L102 HydrophobicContact CE2-CG 4.35Å; F98-L102 HydrophobicContact CZ-CD1 3.66Å; F98-L102 HydrophobicContact CZ-CD2 4.19Å; F98-L102 HydrophobicContact CZ-CG 3.99Å; F98-L102 PolarHBondContact O-N 3.29Å |
| 99 | I | 96.4 | Very high | 95.5 | Very high | 51 Ų | 51 | 58 Ų | 58 | 26% | 0.262 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 176.4 | -68.5 | 165.9 | 0 | 0 | 0 | 110.9 | V69 L73 L95 I96 F101 L102 E103 | V69-I99 HydrophobicContact CG1-CD1 4.26Å; L73-I99 HydrophobicContact CD1-CD1 3.77Å; L95-I99 HydrophobicContact CG-CD1 4.34Å; L95-I99 WeakPolarHBondContact O-CG1 3.06Å; L95-I99 PolarHBondContact O-N 3.2Å; I96-I99 PolarHBondContact O-N 3.22Å; I99-F101 VanDerWaalsContact C-N 3.33Å; I99-F101 PolarHBondContact O-N 2.92Å; I99-L102 WeakPolarHBondContact O-CB 3.27Å; I99-L102 PolarHBondContact O-N 2.93Å; I99-L102 VanDerWaalsContact O-N 3.17Å; I99-E103 WeakPolarHBondContact O-CB 3.37Å; I99-E103 PolarHBondContact O-N 3.1Å |
| 100 | F | 96.7 | Very high | 95.2 | Very high | 45 Ų | 45 | 60.2 Ų | 60.2 | 20% | 0.197 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.6 | -44.7 | 176.5 | 176.6 | -102.3 | 0 | 0 | 0 | 112.1 | I96 G97 F98 E103 L104 Q245 | I96-F100 PolarHBondContact O-N 3.37Å; G97-F100 PolarHBondContact O-N 3.38Å; F98-F100 VanDerWaalsContact C-N 3.35Å; F98-F100 PolarHBondContact O-N 3.37Å; F100-E103 PolarHBondContact O-N 3.22Å; F100-L104 PolarHBondContact O-N 2.68Å; F100-Q245 VanDerWaalsContact CA-OE1 3.22Å; F100-Q245 VanDerWaalsContact CD2-OE1 3.28Å |
| 101 | F | 96.8 | Very high | 94.8 | Very high | 132 Ų | 132 | 60.5 Ų | 60.5 | 58% | 0.579 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -67.3 | -37.2 | 176.6 | -76.6 | -64.6 | 0 | 0 | 0 | 112.9 | G97 F98 I99 T105 | G97-F101 WeakPolarHBondContact O-CD2 3.22Å; G97-F101 PolarHBondContact O-N 2.88Å; G97-F101 VanDerWaalsContact O-N 3.12Å; F98-F101 PolarHBondContact O-N 3.25Å; I99-F101 VanDerWaalsContact C-N 3.33Å; I99-F101 PolarHBondContact O-N 2.92Å; F101-T105 WeakPolarHBondContact O-CB 3.11Å; F101-T105 PolarHBondContact O-N 2.85Å; F101-T105 PolarHBondContact O-OG1 3.11Å |
| 102 | L | 96 | Very high | 94.6 | Very high | 82 Ų | 82 | 60.3 Ų | 60.3 | 43% | 0.429 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 172.7 | -73.8 | -177.5 | 0 | 0 | 0 | 111.4 | F98 I99 T105 V106 | F98-L102 HydrophobicContact CD1-CD1 3.99Å; F98-L102 HydrophobicContact CD1-CG 4.47Å; F98-L102 HydrophobicContact CE1-CD1 3.37Å; F98-L102 HydrophobicContact CE1-CG 4.06Å; F98-L102 HydrophobicContact CE2-CD1 4.47Å; F98-L102 HydrophobicContact CE2-CD2 4.49Å; F98-L102 HydrophobicContact CE2-CG 4.35Å; F98-L102 HydrophobicContact CZ-CD1 3.66Å; F98-L102 HydrophobicContact CZ-CD2 4.19Å; F98-L102 HydrophobicContact CZ-CG 3.99Å; F98-L102 PolarHBondContact O-N 3.29Å; I99-L102 WeakPolarHBondContact O-CB 3.27Å; I99-L102 PolarHBondContact O-N 2.93Å; I99-L102 VanDerWaalsContact O-N 3.17Å; L102-T105 PolarHBondContact O-N 3.02Å; L102-V106 VanDerWaalsContact O-CG2 3.32Å; L102-V106 WeakPolarHBondContact O-CG2 3.19Å; L102-V106 PolarHBondContact O-N 2.7Å |
| 103 | E | 94.3 | Very high | 94.4 | Very high | 38 Ų | 38 | 64.6 Ų | 64.6 | 18% | 0.178 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.1 | -47 | 177.8 | 174.5 | 171.3 | -179.6 | 0 | 0 | 111.5 | I99 F100 T105 V106 A107 F238 I241 Q245 | I99-E103 WeakPolarHBondContact O-CB 3.37Å; I99-E103 PolarHBondContact O-N 3.1Å; F100-E103 PolarHBondContact O-N 3.22Å; E103-T105 VanDerWaalsContact C-N 3.35Å; E103-T105 PolarHBondContact O-N 3.26Å; E103-V106 PolarHBondContact O-N 3.44Å; E103-A107 WeakPolarHBondContact O-CB 3.46Å; E103-A107 PolarHBondContact O-N 2.98Å; E103-F238 HydrophobicContact CG-CD2 4.12Å; E103-F238 HydrophobicContact CG-CE2 3.39Å; E103-F238 HydrophobicContact CG-CZ 4.05Å; E103-F238 WeakPolarHBondContact OE1-CD2 3.34Å; E103-I241 WeakPolarHBondContact OE1-CG2 3.29Å; E103-I241 WeakPolarHBondContact OE2-CG2 3.32Å; E103-Q245 PolarHBondContact OE2-NE2 2.93Å; E103-Q245 PolarHBondContact OE2-OE1 3.38Å |
| 104 | L | 94.1 | Very high | 94.1 | Very high | 77 Ų | 77 | 70.4 Ų | 70.4 | 40% | 0.403 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.4 | -44 | 174.2 | -170.5 | 89.5 | 0 | 0 | 0 | 111.7 | F100 A107 V108 | F100-L104 PolarHBondContact O-N 2.68Å; L104-A107 PolarHBondContact O-N 2.84Å; L104-V108 VanDerWaalsContact O-CG2 3.31Å; L104-V108 WeakPolarHBondContact O-CG2 3.47Å; L104-V108 PolarHBondContact O-N 3.4Å |
| 105 | T | 94.8 | Very high | 93.8 | Very high | 70 Ų | 70 | 72.5 Ų | 72.5 | 43% | 0.429 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 180 | -59 | 0 | 0 | 0 | 0 | 110.7 | F101 L102 E103 A107 V108 L109 | F101-T105 WeakPolarHBondContact O-CB 3.11Å; F101-T105 PolarHBondContact O-N 2.85Å; F101-T105 PolarHBondContact O-OG1 3.11Å; L102-T105 PolarHBondContact O-N 3.02Å; E103-T105 VanDerWaalsContact C-N 3.35Å; E103-T105 PolarHBondContact O-N 3.26Å; T105-A107 VanDerWaalsContact C-N 3.35Å; T105-A107 PolarHBondContact O-N 3.41Å; T105-V108 PolarHBondContact O-N 3.41Å; T105-L109 HydrophobicContact CG2-CD1 3.86Å; T105-L109 HydrophobicContact CG2-CG 4.25Å; T105-L109 WeakPolarHBondContact O-CB 3.3Å; T105-L109 VanDerWaalsContact O-CG 3.22Å; T105-L109 WeakPolarHBondContact O-CG 3.37Å; T105-L109 PolarHBondContact O-N 3.45Å |
| 106 | V | 92.2 | Very high | 93.5 | Very high | 97 Ų | 97 | 74.7 Ų | 74.7 | 59% | 0.588 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -60.8 | -44.3 | 176.7 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | L102 E103 V108 L109 A110 | L102-V106 VanDerWaalsContact O-CG2 3.32Å; L102-V106 WeakPolarHBondContact O-CG2 3.19Å; L102-V106 PolarHBondContact O-N 2.7Å; E103-V106 PolarHBondContact O-N 3.44Å; V106-V108 PolarHBondContact O-N 2.86Å; V106-L109 PolarHBondContact O-N 2.75Å; V106-A110 VanDerWaalsContact O-CB 3.29Å; V106-A110 WeakPolarHBondContact O-CB 3.46Å; V106-A110 PolarHBondContact O-N 2.91Å |
| 107 | A | 91.4 | Very high | 93.1 | Very high | 34 Ų | 34 | 76.3 Ų | 76.3 | 28% | 0.281 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62 | -44.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E103 L104 T105 A110 V111 F238 | E103-A107 WeakPolarHBondContact O-CB 3.46Å; E103-A107 PolarHBondContact O-N 2.98Å; L104-A107 PolarHBondContact O-N 2.84Å; T105-A107 VanDerWaalsContact C-N 3.35Å; T105-A107 PolarHBondContact O-N 3.41Å; A107-A110 PolarHBondContact O-N 3.27Å; A107-V111 WeakPolarHBondContact O-CG2 3.35Å; A107-V111 PolarHBondContact O-N 3.06Å; A107-F238 HydrophobicContact CB-CE2 3.67Å; A107-F238 HydrophobicContact CB-CZ 3.83Å |
| 108 | V | 92.9 | Very high | 92.8 | Very high | 80 Ų | 80 | 81.3 Ų | 81.3 | 49% | 0.485 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65 | -46.3 | 176.6 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | L104 T105 V106 A110 V111 V112 | L104-V108 VanDerWaalsContact O-CG2 3.31Å; L104-V108 WeakPolarHBondContact O-CG2 3.47Å; L104-V108 PolarHBondContact O-N 3.4Å; T105-V108 PolarHBondContact O-N 3.41Å; V106-V108 PolarHBondContact O-N 2.86Å; V108-A110 VanDerWaalsContact C-N 3.3Å; V108-A110 PolarHBondContact O-N 2.95Å; V108-V111 PolarHBondContact O-N 3.46Å; V108-V112 HydrophobicContact CG1-CG2 3.98Å; V108-V112 WeakPolarHBondContact O-CB 3.3Å; V108-V112 VanDerWaalsContact O-CG2 3.32Å; V108-V112 WeakPolarHBondContact O-CG2 3.16Å; V108-V112 PolarHBondContact O-N 3.42Å |
| 109 | L | 91.4 | Very high | 92.5 | Very high | 79 Ų | 79 | 81.4 Ų | 81.4 | 41% | 0.414 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.8 | -38.7 | 178.3 | -71.1 | 176.3 | 0 | 0 | 0 | 111.9 | T105 V106 V111 V112 F113 | T105-L109 HydrophobicContact CG2-CD1 3.86Å; T105-L109 HydrophobicContact CG2-CG 4.25Å; T105-L109 WeakPolarHBondContact O-CB 3.3Å; T105-L109 VanDerWaalsContact O-CG 3.22Å; T105-L109 WeakPolarHBondContact O-CG 3.37Å; T105-L109 PolarHBondContact O-N 3.45Å; V106-L109 PolarHBondContact O-N 2.75Å; L109-V111 PolarHBondContact O-N 2.91Å; L109-V112 PolarHBondContact O-N 3.4Å; L109-F113 HydrophobicContact CB-CD2 4.5Å; L109-F113 HydrophobicContact CD2-CD2 3.57Å; L109-F113 HydrophobicContact CD2-CE2 3.51Å; L109-F113 WeakPolarHBondContact O-CB 3.28Å; L109-F113 PolarHBondContact O-N 3.05Å |
| 110 | A | 88.6 | Confident | 92.1 | Very high | 46 Ų | 46 | 87.3 Ų | 87.3 | 38% | 0.38 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.1 | -33.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V106 A107 V108 Q114 | V106-A110 VanDerWaalsContact O-CB 3.29Å; V106-A110 WeakPolarHBondContact O-CB 3.46Å; V106-A110 PolarHBondContact O-N 2.91Å; A107-A110 PolarHBondContact O-N 3.27Å; V108-A110 VanDerWaalsContact C-N 3.3Å; V108-A110 PolarHBondContact O-N 2.95Å; A110-Q114 VanDerWaalsContact O-CG 3.25Å; A110-Q114 WeakPolarHBondContact O-CG 3.25Å |
| 111 | V | 88.2 | Confident | 91.7 | Very high | 99 Ų | 99 | 87 Ų | 87 | 60% | 0.6 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -87.7 | -39 | 179.6 | 178.2 | 0 | 0 | 0 | 0 | 112.3 | A107 V108 L109 Q114 | A107-V111 WeakPolarHBondContact O-CG2 3.35Å; A107-V111 PolarHBondContact O-N 3.06Å; V108-V111 PolarHBondContact O-N 3.46Å; L109-V111 PolarHBondContact O-N 2.91Å; V111-Q114 WeakPolarHBondContact O-CG 3.3Å |
| 112 | V | 93.9 | Very high | 91.4 | Very high | 95 Ų | 95 | 81.3 Ų | 81.3 | 58% | 0.576 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -73.5 | -39.6 | -178.3 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | V108 L109 | V108-V112 HydrophobicContact CG1-CG2 3.98Å; V108-V112 WeakPolarHBondContact O-CB 3.3Å; V108-V112 VanDerWaalsContact O-CG2 3.32Å; V108-V112 WeakPolarHBondContact O-CG2 3.16Å; V108-V112 PolarHBondContact O-N 3.42Å; L109-V112 PolarHBondContact O-N 3.4Å |
| 113 | F | 93.3 | Very high | 91.1 | Very high | 92 Ų | 92 | 80.9 Ų | 80.9 | 40% | 0.404 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 42.4 | -174.5 | -62.3 | -75.6 | 0 | 0 | 0 | 112.4 | L109 S115 Q116 V117 | L109-F113 HydrophobicContact CB-CD2 4.5Å; L109-F113 HydrophobicContact CD2-CD2 3.57Å; L109-F113 HydrophobicContact CD2-CE2 3.51Å; L109-F113 WeakPolarHBondContact O-CB 3.28Å; L109-F113 PolarHBondContact O-N 3.05Å; F113-S115 VanDerWaalsContact C-N 3.26Å; F113-S115 PolarHBondContact O-N 3.48Å; F113-Q116 HydrophobicContact CB-CB 4.31Å; F113-Q116 PolarHBondContact O-N 2.89Å; F113-Q116 VanDerWaalsContact O-N 3.09Å; F113-Q116 PolarHBondContact O-OE1 3.46Å; F113-V117 WeakPolarHBondContact O-CG2 3.33Å; F113-V117 PolarHBondContact O-N 2.98Å |
| 114 | Q | 88.9 | Confident | 90.7 | Very high | 124 Ų | 124 | 81.9 Ų | 81.9 | 58% | 0.579 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -52.3 | -41.4 | -177.1 | -77.9 | 174.1 | -8.9 | 0 | 0 | 113.3 | A110 V111 V117 R118 | A110-Q114 VanDerWaalsContact O-CG 3.25Å; A110-Q114 WeakPolarHBondContact O-CG 3.25Å; V111-Q114 WeakPolarHBondContact O-CG 3.3Å; Q114-V117 PolarHBondContact O-N 3.31Å; Q114-R118 VanDerWaalsContact O-CB 3.27Å; Q114-R118 WeakPolarHBondContact O-CB 3.33Å; Q114-R118 PolarHBondContact O-N 2.85Å |
| 115 | S | 90.7 | Very high | 90.4 | Very high | 82 Ų | 82 | 79.5 Ų | 79.5 | 57% | 0.573 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -63.6 | -43.3 | 178.5 | 41.1 | 0 | 0 | 0 | 0 | 113.1 | F113 R118 E119 | F113-S115 VanDerWaalsContact C-N 3.26Å; F113-S115 PolarHBondContact O-N 3.48Å; S115-R118 WeakPolarHBondContact O-CB 3.4Å; S115-R118 PolarHBondContact O-N 3.33Å; S115-E119 PolarHBondContact O-N 3.08Å |
| 116 | Q | 92.3 | Very high | 90.3 | Very high | 97 Ų | 97 | 78 Ų | 78 | 45% | 0.453 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -71.8 | -38.8 | -179.5 | -65.9 | 82.5 | -16.3 | 0 | 0 | 110.5 | F113 R118 E119 W120 | F113-Q116 HydrophobicContact CB-CB 4.31Å; F113-Q116 PolarHBondContact O-N 2.89Å; F113-Q116 VanDerWaalsContact O-N 3.09Å; F113-Q116 PolarHBondContact O-OE1 3.46Å; Q116-R118 VanDerWaalsContact C-N 3.34Å; Q116-E119 PolarHBondContact O-N 2.88Å; Q116-W120 VanDerWaalsContact O-CB 3.32Å; Q116-W120 WeakPolarHBondContact O-CB 3.28Å; Q116-W120 PolarHBondContact O-N 3.49Å |
| 117 | V | 88.3 | Confident | 90.1 | Very high | 48 Ų | 48 | 79.9 Ų | 79.9 | 29% | 0.291 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 174.3 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | F113 Q114 E119 W120 I121 | F113-V117 WeakPolarHBondContact O-CG2 3.33Å; F113-V117 PolarHBondContact O-N 2.98Å; Q114-V117 PolarHBondContact O-N 3.31Å; V117-E119 PolarHBondContact O-N 3.19Å; V117-W120 PolarHBondContact O-N 3.25Å; V117-I121 HydrophobicContact CG1-CD1 3.82Å; V117-I121 HydrophobicContact CG1-CG1 4.36Å; V117-I121 WeakPolarHBondContact O-CB 3.35Å; V117-I121 VanDerWaalsContact O-CG1 3.27Å; V117-I121 WeakPolarHBondContact O-CG1 3.45Å; V117-I121 PolarHBondContact O-N 3.48Å |
| 118 | R | 89.7 | Confident | 89.8 | Confident | 119 Ų | 119 | 78.7 Ų | 78.7 | 45% | 0.449 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -57.5 | -48.4 | 174.3 | 179.9 | -170.2 | -172.3 | -118.9 | -1.2 | 111.6 | Q114 S115 Q116 I121 S122 I220 E224 | Q114-R118 VanDerWaalsContact O-CB 3.27Å; Q114-R118 WeakPolarHBondContact O-CB 3.33Å; Q114-R118 PolarHBondContact O-N 2.85Å; S115-R118 WeakPolarHBondContact O-CB 3.4Å; S115-R118 PolarHBondContact O-N 3.33Å; Q116-R118 VanDerWaalsContact C-N 3.34Å; R118-I121 PolarHBondContact O-N 3.25Å; R118-S122 WeakPolarHBondContact O-CB 3.32Å; R118-S122 PolarHBondContact O-N 3.29Å; R118-I220 HydrophobicContact CG-CG2 4.31Å; R118-E224 WeakPolarHBondContact CD-OE1 3.4Å; R118-E224 IonicContact CZ-OE1 3.66Å; R118-E224 IonicContact NE-OE1 2.66Å; R118-E224 PolarHBondContact NE-OE1 2.91Å; R118-E224 IonicContact NH2-OE1 3.84Å |
| 119 | E | 91.4 | Very high | 89.7 | Confident | 122 Ų | 122 | 74.9 Ų | 74.9 | 57% | 0.57 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.2 | -42.6 | 178.2 | -173.1 | -179.9 | 174.8 | 0 | 0 | 111.7 | S115 Q116 V117 S122 N123 | S115-E119 PolarHBondContact O-N 3.08Å; Q116-E119 PolarHBondContact O-N 2.88Å; V117-E119 PolarHBondContact O-N 3.19Å; E119-S122 WeakPolarHBondContact O-CB 3.2Å; E119-S122 PolarHBondContact O-N 3.16Å; E119-N123 WeakPolarHBondContact O-CB 3.3Å; E119-N123 PolarHBondContact O-N 3.02Å; E119-N123 PolarHBondContact O-ND2 3.29Å |
| 120 | W | 89 | Confident | 89.7 | Confident | 175 Ų | 175 | 77.8 Ų | 77.8 | 66% | 0.663 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61.3 | -47.4 | 176.4 | 179.9 | 81.6 | 0 | 0 | 0 | 112 | Q116 V117 S122 N123 F124 | Q116-W120 VanDerWaalsContact O-CB 3.32Å; Q116-W120 WeakPolarHBondContact O-CB 3.28Å; Q116-W120 PolarHBondContact O-N 3.49Å; V117-W120 PolarHBondContact O-N 3.25Å; W120-S122 VanDerWaalsContact C-N 3.28Å; W120-S122 PolarHBondContact O-N 2.9Å; W120-N123 PolarHBondContact O-N 2.9Å; W120-F124 WeakPolarHBondContact O-CB 3.5Å; W120-F124 PolarHBondContact O-N 3.14Å |
| 121 | I | 88.2 | Confident | 89.6 | Confident | 38 Ų | 38 | 76.6 Ų | 76.6 | 20% | 0.195 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.4 | -40.8 | 174.5 | -67.5 | 171.7 | 0 | 0 | 0 | 110.2 | V117 R118 F124 F125 I220 L223 | V117-I121 HydrophobicContact CG1-CD1 3.82Å; V117-I121 HydrophobicContact CG1-CG1 4.36Å; V117-I121 WeakPolarHBondContact O-CB 3.35Å; V117-I121 VanDerWaalsContact O-CG1 3.27Å; V117-I121 WeakPolarHBondContact O-CG1 3.45Å; V117-I121 PolarHBondContact O-N 3.48Å; R118-I121 PolarHBondContact O-N 3.25Å; I121-F124 WeakPolarHBondContact O-CB 3.38Å; I121-F124 PolarHBondContact O-N 3.28Å; I121-F125 HydrophobicContact CG2-CD2 3.88Å; I121-F125 HydrophobicContact CG2-CE2 4.12Å; I121-F125 PolarHBondContact O-N 2.89Å; I121-I220 HydrophobicContact CG2-CG1 4.28Å; I121-L223 HydrophobicContact CD1-CD2 4.27Å |
| 122 | S | 90.6 | Very high | 89.6 | Confident | 14 Ų | 14 | 71.9 Ų | 71.9 | 10% | 0.098 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.9 | -50.5 | 178.1 | -163.7 | 0 | 0 | 0 | 0 | 112.3 | R118 E119 W120 F124 F125 L126 Q155 I220 | R118-S122 WeakPolarHBondContact O-CB 3.32Å; R118-S122 PolarHBondContact O-N 3.29Å; E119-S122 WeakPolarHBondContact O-CB 3.2Å; E119-S122 PolarHBondContact O-N 3.16Å; W120-S122 VanDerWaalsContact C-N 3.28Å; W120-S122 PolarHBondContact O-N 2.9Å; S122-F124 VanDerWaalsContact C-N 3.28Å; S122-F124 PolarHBondContact O-N 2.96Å; S122-F125 PolarHBondContact O-N 3.46Å; S122-L126 WeakPolarHBondContact O-CB 3.41Å; S122-L126 VanDerWaalsContact O-CG 3.23Å; S122-L126 WeakPolarHBondContact O-CG 2.85Å; S122-L126 PolarHBondContact O-N 3.2Å; S122-Q155 PolarHBondContact OG-NE2 3.43Å; S122-I220 WeakPolarHBondContact OG-CD1 2.97Å |
| 123 | N | 89.8 | Confident | 89.3 | Confident | 73 Ų | 73 | 71.1 Ų | 71.1 | 39% | 0.39 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.3 | -38.8 | 177.6 | -71.5 | -28.5 | 0 | 0 | 0 | 111.4 | E119 W120 L126 Q127 | E119-N123 WeakPolarHBondContact O-CB 3.3Å; E119-N123 PolarHBondContact O-N 3.02Å; E119-N123 PolarHBondContact O-ND2 3.29Å; W120-N123 PolarHBondContact O-N 2.9Å; N123-L126 PolarHBondContact O-N 3.29Å; N123-Q127 WeakPolarHBondContact O-CB 3.27Å; N123-Q127 VanDerWaalsContact O-CG 3.23Å; N123-Q127 WeakPolarHBondContact O-CG 3.28Å; N123-Q127 PolarHBondContact O-N 2.92Å |
| 124 | F | 85.6 | Confident | 88.9 | Confident | 59 Ų | 59 | 70.2 Ų | 70.2 | 26% | 0.259 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.3 | -52.3 | 173.6 | 178.7 | -96.7 | 0 | 0 | 0 | 111.4 | F57 W120 I121 S122 L126 Q127 N128 | F57-F124 HydrophobicContact CB-CE2 4.33Å; W120-F124 WeakPolarHBondContact O-CB 3.5Å; W120-F124 PolarHBondContact O-N 3.14Å; I121-F124 WeakPolarHBondContact O-CB 3.38Å; I121-F124 PolarHBondContact O-N 3.28Å; S122-F124 VanDerWaalsContact C-N 3.28Å; S122-F124 PolarHBondContact O-N 2.96Å; F124-L126 PolarHBondContact O-N 3.36Å; F124-Q127 PolarHBondContact O-N 2.66Å; F124-N128 WeakPolarHBondContact CD1-ND2 3.34Å; F124-N128 WeakPolarHBondContact CD2-ND2 3.4Å; F124-N128 WeakPolarHBondContact CE1-ND2 3.49Å; F124-N128 VanDerWaalsContact CE2-ND2 3.3Å; F124-N128 WeakPolarHBondContact CE2-ND2 3.42Å; F124-N128 WeakPolarHBondContact CZ-ND2 3.31Å; F124-N128 WeakPolarHBondContact O-CB 3.42Å; F124-N128 PolarHBondContact O-N 3.37Å; F124-N128 PolarHBondContact O-ND2 3.4Å |
| 125 | F | 87.9 | Confident | 88.3 | Confident | 27 Ų | 27 | 66.7 Ų | 66.7 | 12% | 0.118 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.1 | -44 | 177.9 | -97.4 | -92.2 | 0 | 0 | 0 | 112.4 | I121 S122 N128 I129 I142 L145 A154 C219 | I121-F125 HydrophobicContact CG2-CD2 3.88Å; I121-F125 HydrophobicContact CG2-CE2 4.12Å; I121-F125 PolarHBondContact O-N 2.89Å; S122-F125 PolarHBondContact O-N 3.46Å; F125-N128 PolarHBondContact O-N 2.86Å; F125-I129 WeakPolarHBondContact O-CG1 3.37Å; F125-I129 PolarHBondContact O-N 2.93Å; F125-I142 HydrophobicContact CD1-CD1 4.36Å; F125-I142 HydrophobicContact CE1-CD1 4.33Å; F125-L145 HydrophobicContact CE1-CD1 4.34Å; F125-L145 HydrophobicContact CZ-CD1 4Å; F125-A154 HydrophobicContact CB-CB 3.73Å; F125-C219 HydrophobicContact CE1-CB 3.98Å; F125-C219 HydrophobicContact CZ-CB 4.26Å |
| 126 | L | 91.3 | Very high | 87.9 | Confident | 38 Ų | 38 | 67.8 Ų | 67.8 | 20% | 0.199 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65 | -40.9 | -179.2 | -67.2 | 170.1 | 0 | 0 | 0 | 112.4 | S122 N123 F124 N128 I129 K130 A154 D159 L162 | S122-L126 WeakPolarHBondContact O-CB 3.41Å; S122-L126 VanDerWaalsContact O-CG 3.23Å; S122-L126 WeakPolarHBondContact O-CG 2.85Å; S122-L126 PolarHBondContact O-N 3.2Å; N123-L126 PolarHBondContact O-N 3.29Å; F124-L126 PolarHBondContact O-N 3.36Å; L126-N128 VanDerWaalsContact C-N 3.33Å; L126-I129 PolarHBondContact O-N 3.41Å; L126-K130 PolarHBondContact O-N 3.05Å; L126-A154 HydrophobicContact CD2-CB 3.67Å; L126-A154 HydrophobicContact CG-CB 3.98Å; L126-D159 HydrophobicContact CD2-CB 4.01Å; L126-L162 HydrophobicContact CB-CD1 4.22Å; L126-L162 HydrophobicContact CD2-CD1 3.63Å; L126-L162 HydrophobicContact CG-CD1 4.41Å |
| 127 | Q | 87.9 | Confident | 87.2 | Confident | 136 Ų | 136 | 65 Ų | 65 | 64% | 0.636 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -62.9 | -41.8 | 174.6 | -74.2 | 175.8 | 14.9 | 0 | 0 | 111.5 | N123 F124 K130 A131 | N123-Q127 WeakPolarHBondContact O-CB 3.27Å; N123-Q127 VanDerWaalsContact O-CG 3.23Å; N123-Q127 WeakPolarHBondContact O-CG 3.28Å; N123-Q127 PolarHBondContact O-N 2.92Å; F124-Q127 PolarHBondContact O-N 2.66Å; Q127-K130 WeakPolarHBondContact O-CB 3.48Å; Q127-K130 PolarHBondContact O-N 3.21Å; Q127-A131 PolarHBondContact O-N 3.34Å; Q127-A131 VanDerWaalsContact O-N 3.14Å |
| 128 | N | 86.5 | Confident | 86.9 | Confident | 10 Ų | 10 | 63.1 Ų | 63.1 | 5% | 0.053 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.6 | -36 | 178 | -76.7 | -57.3 | 0 | 0 | 0 | 112.8 | F124 F125 L126 K130 A131 Y132 L138 I142 | F124-N128 WeakPolarHBondContact CD1-ND2 3.34Å; F124-N128 WeakPolarHBondContact CD2-ND2 3.4Å; F124-N128 WeakPolarHBondContact CE1-ND2 3.49Å; F124-N128 VanDerWaalsContact CE2-ND2 3.3Å; F124-N128 WeakPolarHBondContact CE2-ND2 3.42Å; F124-N128 WeakPolarHBondContact CZ-ND2 3.31Å; F124-N128 WeakPolarHBondContact O-CB 3.42Å; F124-N128 PolarHBondContact O-N 3.37Å; F124-N128 PolarHBondContact O-ND2 3.4Å; F125-N128 PolarHBondContact O-N 2.86Å; L126-N128 VanDerWaalsContact C-N 3.33Å; N128-K130 VanDerWaalsContact C-N 3.31Å; N128-K130 PolarHBondContact O-N 3.26Å; N128-A131 CarbonylContact O-C 3.4Å; N128-A131 PolarHBondContact O-N 3Å; N128-Y132 WeakPolarHBondContact O-CA 3.44Å; N128-Y132 PolarHBondContact O-N 3.37Å; N128-L138 HydrophobicContact CB-CD1 3.87Å; N128-L138 HydrophobicContact CB-CD2 4.27Å; N128-L138 WeakPolarHBondContact OD1-CD1 3.38Å; N128-I142 HydrophobicContact CB-CD1 4.09Å |
| 129 | I | 90.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 171 | -74.8 | 168.1 | 0 | 0 | 0 | 110.4 | F125 L126 A131 Y132 A154 D159 W160 N163 | F125-I129 WeakPolarHBondContact O-CG1 3.37Å; F125-I129 PolarHBondContact O-N 2.93Å; L126-I129 PolarHBondContact O-N 3.41Å; I129-A131 VanDerWaalsContact C-N 3.29Å; I129-A131 PolarHBondContact O-N 3.2Å; I129-Y132 WeakPolarHBondContact O-CB 3.4Å; I129-Y132 PolarHBondContact O-N 3.37Å; I129-A154 HydrophobicContact CD1-CB 4.06Å; I129-D159 HydrophobicContact CD1-CB 4.18Å; I129-W160 HydrophobicContact CG1-CH2 4.29Å; I129-W160 HydrophobicContact CG1-CZ2 4.46Å; I129-W160 HydrophobicContact CG2-CD2 4.16Å; I129-W160 HydrophobicContact CG2-CE3 3.72Å; I129-W160 HydrophobicContact CG2-CH2 4.4Å; I129-W160 HydrophobicContact CG2-CZ3 3.85Å; I129-N163 HydrophobicContact CG2-CB 4.43Å; I129-N163 PolarHBondContact O-ND2 2.9Å |
| 130 | K | 90.6 | Very high | 86.6 | Confident | 140 Ų | 140 | 57.1 Ų | 57.1 | 61% | 0.609 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -59.9 | -40.3 | 176.6 | -172.5 | 179.7 | -179.4 | -177.3 | 0 | 111.9 | L126 Q127 N128 N163 | L126-K130 PolarHBondContact O-N 3.05Å; Q127-K130 WeakPolarHBondContact O-CB 3.48Å; Q127-K130 PolarHBondContact O-N 3.21Å; N128-K130 VanDerWaalsContact C-N 3.31Å; N128-K130 PolarHBondContact O-N 3.26Å; K130-N163 PolarHBondContact O-ND2 3.34Å |
| 131 | A | 87.3 | Confident | 86.5 | Confident | 20 Ų | 20 | 51.6 Ų | 51.6 | 17% | 0.165 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 8.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q127 N128 I129 R133 D134 L138 | Q127-A131 PolarHBondContact O-N 3.34Å; Q127-A131 VanDerWaalsContact O-N 3.14Å; N128-A131 CarbonylContact O-C 3.4Å; N128-A131 PolarHBondContact O-N 3Å; I129-A131 VanDerWaalsContact C-N 3.29Å; I129-A131 PolarHBondContact O-N 3.2Å; A131-R133 VanDerWaalsContact C-N 3.28Å; A131-R133 PolarHBondContact O-N 3.38Å; A131-R133 VanDerWaalsContact O-N 3.1Å; A131-D134 HydrophobicContact CB-CB 4.37Å; A131-D134 VanDerWaalsContact O-CB 3.27Å; A131-D134 WeakPolarHBondContact O-CB 3.43Å; A131-D134 PolarHBondContact O-N 3.42Å; A131-L138 HydrophobicContact CB-CD2 3.84Å |
| 132 | Y | 88.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -34.5 | -168.5 | 169.2 | -96.7 | 0 | 0 | 0 | 115.1 | N128 I129 Q139 I142 D143 W160 F166 P181 | N128-Y132 WeakPolarHBondContact O-CA 3.44Å; N128-Y132 PolarHBondContact O-N 3.37Å; I129-Y132 WeakPolarHBondContact O-CB 3.4Å; I129-Y132 PolarHBondContact O-N 3.37Å; Y132-Q139 HydrophobicContact CD1-CG 4.2Å; Y132-Q139 HydrophobicContact CD2-CB 4.44Å; Y132-Q139 HydrophobicContact CD2-CG 3.86Å; Y132-Q139 HydrophobicContact CE1-CG 3.66Å; Y132-Q139 HydrophobicContact CE2-CB 4.17Å; Y132-Q139 HydrophobicContact CE2-CG 3.28Å; Y132-Q139 HydrophobicContact CG-CG 4.29Å; Y132-Q139 WeakPolarHBondContact O-CB 3.39Å; Y132-Q139 WeakPolarHBondContact O-CG 3.17Å; Y132-Q139 VanDerWaalsContact OH-CG 3.27Å; Y132-Q139 WeakPolarHBondContact OH-CG 3.39Å; Y132-Q139 PolarHBondContact OH-NE2 2.82Å; Y132-I142 HydrophobicContact CD2-CB 3.96Å; Y132-I142 HydrophobicContact CD2-CG1 4.41Å; Y132-I142 HydrophobicContact CD2-CG2 3.92Å; Y132-I142 HydrophobicContact CE2-CB 4.11Å; Y132-I142 HydrophobicContact CE2-CG2 4.03Å; Y132-D143 PolarHBondContact OH-OD1 3.22Å; Y132-D143 PolarHBondContact OH-OD2 2.9Å; Y132-W160 HydrophobicContact CD1-CH2 4.03Å; Y132-W160 AromaticContact CD1-CZ3 3.76Å; Y132-W160 HydrophobicContact CD1-CZ3 3.76Å; Y132-W160 AromaticContact CD2-CH2 3.69Å; Y132-W160 HydrophobicContact CD2-CH2 3.69Å; Y132-W160 HydrophobicContact CD2-CZ3 4.17Å; Y132-W160 HydrophobicContact CE1-CH2 4.35Å; Y132-W160 HydrophobicContact CE1-CZ3 4.35Å; Y132-W160 HydrophobicContact CE2-CH2 4.01Å; Y132-W160 AromaticContact CG-CH2 3.7Å; Y132-W160 HydrophobicContact CG-CH2 3.7Å; Y132-W160 AromaticContact CG-CZ3 3.67Å; Y132-W160 HydrophobicContact CG-CZ3 3.67Å; Y132-F166 AromaticContact CD1-CE2 3.8Å; Y132-F166 HydrophobicContact CD1-CE2 3.8Å; Y132-F166 HydrophobicContact CD1-CZ 4.47Å; Y132-F166 AromaticContact CE1-CE2 3.84Å; Y132-F166 HydrophobicContact CE1-CE2 3.84Å; Y132-F166 HydrophobicContact CE1-CZ 4.05Å; Y132-P181 HydrophobicContact CD1-CG 4.46Å; Y132-P181 HydrophobicContact CE1-CB 4.32Å; Y132-P181 HydrophobicContact CE1-CG 3.77Å; Y132-P181 HydrophobicContact CE2-CG 4.23Å; Y132-P181 WeakPolarHBondContact OH-CB 3.44Å |
| 133 | R | 87.4 | Confident | 86.7 | Confident | 80 Ų | 80 | 49.5 Ų | 49.5 | 30% | 0.302 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -2.1 | 177.4 | -74.3 | -59.5 | -169.3 | -173.4 | -2.2 | 113.6 | A131 Q139 Y165 F166 E176 | A131-R133 VanDerWaalsContact C-N 3.28Å; A131-R133 PolarHBondContact O-N 3.38Å; A131-R133 VanDerWaalsContact O-N 3.1Å; R133-Q139 VanDerWaalsContact NH1-CD 3.3Å; R133-Y165 HydrophobicContact CB-CD2 3.44Å; R133-Y165 VanDerWaalsContact CB-CD2 3.44Å; R133-Y165 HydrophobicContact CB-CE2 3.31Å; R133-Y165 HydrophobicContact CB-CG 4.38Å; R133-Y165 HydrophobicContact CG-CD2 3.42Å; R133-Y165 VanDerWaalsContact CG-CD2 3.42Å; R133-Y165 HydrophobicContact CG-CE2 3.82Å; R133-Y165 HydrophobicContact CG-CG 3.95Å; R133-F166 HydrophobicContact CG-CE2 4.48Å; R133-E176 IonicContact CZ-OE1 4Å; R133-E176 IonicContact CZ-OE2 3.04Å; R133-E176 IonicContact NE-OE2 2.62Å; R133-E176 PolarHBondContact NE-OE2 3.34Å; R133-E176 IonicContact NH2-OE1 2.61Å; R133-E176 PolarHBondContact NH2-OE1 3.48Å; R133-E176 IonicContact NH2-OE2 3.73Å; R133-E176 PolarHBondContact NH2-OE2 2.84Å |
| 134 | D | 84.2 | Confident | 86.7 | Confident | 72 Ų | 72 | 48.8 Ų | 48.8 | 39% | 0.385 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -25 | -176.9 | -69.9 | -26 | 0 | 0 | 0 | 112.1 | R50 A131 | R50-D134 PolarHBondContact NH1-O 3.37Å; R50-D134 IonicContact NH2-OD1 3.71Å; A131-D134 HydrophobicContact CB-CB 4.37Å; A131-D134 VanDerWaalsContact O-CB 3.27Å; A131-D134 WeakPolarHBondContact O-CB 3.43Å; A131-D134 PolarHBondContact O-N 3.42Å |
| 135 | D | 76.9 | Confident | 87 | Confident | 51 Ų | 51 | 48.5 Ų | 48.5 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | trans | -142.2 | 128.8 | -177.2 | -175 | -59.7 | 0 | 0 | 0 | 110.2 | D137 L138 Q139 | D135-D137 WeakPolarHBondContact OD1-CA 3.43Å; D135-D137 WeakPolarHBondContact OD1-CB 3.41Å; D135-D137 PolarHBondContact OD1-N 3.29Å; D135-L138 HydrophobicContact CB-CB 3.91Å; D135-L138 PolarHBondContact O-N 2.94Å; D135-L138 PolarHBondContact OD1-N 3.27Å; D135-Q139 WeakPolarHBondContact O-CB 3.23Å; D135-Q139 PolarHBondContact O-N 2.87Å | ||
| 136 | I | 81.6 | Confident | 87.3 | Confident | 105 Ų | 105 | 47.2 Ų | 47.2 | 54% | 0.538 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -70.5 | -30.9 | -174.8 | -162.6 | 165.3 | 0 | 0 | 0 | 112.7 | Q139 N140 | I136-Q139 WeakPolarHBondContact O-CB 3.5Å; I136-Q139 PolarHBondContact O-N 2.94Å; I136-N140 WeakPolarHBondContact O-CB 3.3Å; I136-N140 PolarHBondContact O-N 3.4Å; I136-N140 PolarHBondContact O-ND2 2.99Å; I136-N140 VanDerWaalsContact O-ND2 3.14Å |
| 137 | D | 77.1 | Confident | 87.4 | Confident | 39 Ų | 39 | 49.4 Ų | 49.4 | 21% | 0.209 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -77 | -38 | 179 | -60.2 | -75.7 | 0 | 0 | 0 | 110.8 | K42 D135 Q139 N140 L141 | K42-D137 WeakPolarHBondContact CD-OD2 3.42Å; K42-D137 VanDerWaalsContact CE-CG 3.49Å; K42-D137 WeakPolarHBondContact CE-OD2 3.46Å; K42-D137 IonicContact NZ-OD1 2.68Å; K42-D137 IonicContact NZ-OD2 2.65Å; K42-D137 PolarHBondContact NZ-OD2 3.47Å; D135-D137 WeakPolarHBondContact OD1-CA 3.43Å; D135-D137 WeakPolarHBondContact OD1-CB 3.41Å; D135-D137 PolarHBondContact OD1-N 3.29Å; D137-Q139 VanDerWaalsContact C-N 3.28Å; D137-N140 PolarHBondContact O-N 3.43Å; D137-L141 VanDerWaalsContact O-CB 3.3Å; D137-L141 WeakPolarHBondContact O-CB 3.22Å; D137-L141 PolarHBondContact O-N 2.92Å |
| 138 | L | 82.4 | Confident | 87.6 | Confident | 8 Ų | 8 | 49.9 Ų | 49.9 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 168.8 | -178.8 | 58.5 | 0 | 0 | 0 | 110.7 | N128 A131 D135 N140 L141 I142 | N128-L138 HydrophobicContact CB-CD1 3.87Å; N128-L138 HydrophobicContact CB-CD2 4.27Å; N128-L138 WeakPolarHBondContact OD1-CD1 3.38Å; A131-L138 HydrophobicContact CB-CD2 3.84Å; D135-L138 HydrophobicContact CB-CB 3.91Å; D135-L138 PolarHBondContact O-N 2.94Å; D135-L138 PolarHBondContact OD1-N 3.27Å; L138-N140 PolarHBondContact O-N 2.96Å; L138-L141 PolarHBondContact O-N 3.3Å; L138-I142 HydrophobicContact CD1-CG1 4.12Å; L138-I142 HydrophobicContact CG-CG1 4.47Å; L138-I142 WeakPolarHBondContact O-CG1 3.47Å; L138-I142 PolarHBondContact O-N 3.09Å |
| 139 | Q | 87.9 | Confident | 87.8 | Confident | 32 Ų | 32 | 52.4 Ų | 52.4 | 15% | 0.15 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.9 | -51.9 | 176.5 | -156.6 | -164.1 | -60.5 | 0 | 0 | 111.1 | Y132 R133 D135 I136 D137 L141 I142 D143 | Y132-Q139 HydrophobicContact CD1-CG 4.2Å; Y132-Q139 HydrophobicContact CD2-CB 4.44Å; Y132-Q139 HydrophobicContact CD2-CG 3.86Å; Y132-Q139 HydrophobicContact CE1-CG 3.66Å; Y132-Q139 HydrophobicContact CE2-CB 4.17Å; Y132-Q139 HydrophobicContact CE2-CG 3.28Å; Y132-Q139 HydrophobicContact CG-CG 4.29Å; Y132-Q139 WeakPolarHBondContact O-CB 3.39Å; Y132-Q139 WeakPolarHBondContact O-CG 3.17Å; Y132-Q139 VanDerWaalsContact OH-CG 3.27Å; Y132-Q139 WeakPolarHBondContact OH-CG 3.39Å; Y132-Q139 PolarHBondContact OH-NE2 2.82Å; R133-Q139 VanDerWaalsContact NH1-CD 3.3Å; D135-Q139 WeakPolarHBondContact O-CB 3.23Å; D135-Q139 PolarHBondContact O-N 2.87Å; I136-Q139 WeakPolarHBondContact O-CB 3.5Å; I136-Q139 PolarHBondContact O-N 2.94Å; D137-Q139 VanDerWaalsContact C-N 3.28Å; Q139-L141 VanDerWaalsContact C-N 3.32Å; Q139-L141 PolarHBondContact O-N 3.26Å; Q139-I142 PolarHBondContact O-N 2.98Å; Q139-D143 VanDerWaalsContact O-CB 3.31Å; Q139-D143 WeakPolarHBondContact O-CB 3.4Å; Q139-D143 VanDerWaalsContact O-CG 3.25Å; Q139-D143 PolarHBondContact O-N 2.82Å |
| 140 | N | 86.9 | Confident | 88 | Confident | 82 Ų | 82 | 58.1 Ų | 58.1 | 44% | 0.439 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.1 | -37.1 | 179.4 | -73.2 | -30.8 | 0 | 0 | 0 | 112.8 | I136 D137 L138 S144 | I136-N140 WeakPolarHBondContact O-CB 3.3Å; I136-N140 PolarHBondContact O-N 3.4Å; I136-N140 PolarHBondContact O-ND2 2.99Å; I136-N140 VanDerWaalsContact O-ND2 3.14Å; D137-N140 PolarHBondContact O-N 3.43Å; L138-N140 PolarHBondContact O-N 2.96Å; N140-S144 VanDerWaalsContact O-CB 3.28Å; N140-S144 WeakPolarHBondContact O-CB 3.43Å; N140-S144 PolarHBondContact O-N 3.35Å; N140-S144 PolarHBondContact O-OG 3.35Å |
| 141 | L | 86.5 | Confident | 88.2 | Confident | 59 Ų | 59 | 51.5 Ų | 51.5 | 31% | 0.309 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.8 | -51 | 175.7 | 175.3 | 64.6 | 0 | 0 | 0 | 111 | P59 D137 L138 Q139 D143 S144 L145 | P59-L141 HydrophobicContact CG-CD2 3.95Å; D137-L141 VanDerWaalsContact O-CB 3.3Å; D137-L141 WeakPolarHBondContact O-CB 3.22Å; D137-L141 PolarHBondContact O-N 2.92Å; L138-L141 PolarHBondContact O-N 3.3Å; Q139-L141 VanDerWaalsContact C-N 3.32Å; Q139-L141 PolarHBondContact O-N 3.26Å; L141-D143 VanDerWaalsContact C-N 3.31Å; L141-D143 PolarHBondContact O-N 3.45Å; L141-S144 PolarHBondContact O-N 3.44Å; L141-L145 HydrophobicContact CD1-CD1 4.05Å; L141-L145 HydrophobicContact CD1-CG 4.24Å; L141-L145 HydrophobicContact CG-CD1 3.99Å; L141-L145 WeakPolarHBondContact O-CB 3.49Å; L141-L145 VanDerWaalsContact O-CG 3.3Å; L141-L145 WeakPolarHBondContact O-CG 3.4Å; L141-L145 PolarHBondContact O-N 2.97Å |
| 142 | I | 90.4 | Very high | 88.6 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.015 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 178.8 | -64.6 | -65.2 | 0 | 0 | 0 | 110.3 | F125 N128 Y132 L138 Q139 S144 L145 Q146 W160 | F125-I142 HydrophobicContact CD1-CD1 4.36Å; F125-I142 HydrophobicContact CE1-CD1 4.33Å; N128-I142 HydrophobicContact CB-CD1 4.09Å; Y132-I142 HydrophobicContact CD2-CB 3.96Å; Y132-I142 HydrophobicContact CD2-CG1 4.41Å; Y132-I142 HydrophobicContact CD2-CG2 3.92Å; Y132-I142 HydrophobicContact CE2-CB 4.11Å; Y132-I142 HydrophobicContact CE2-CG2 4.03Å; L138-I142 HydrophobicContact CD1-CG1 4.12Å; L138-I142 HydrophobicContact CG-CG1 4.47Å; L138-I142 WeakPolarHBondContact O-CG1 3.47Å; L138-I142 PolarHBondContact O-N 3.09Å; Q139-I142 PolarHBondContact O-N 2.98Å; I142-S144 VanDerWaalsContact C-N 3.33Å; I142-S144 PolarHBondContact O-N 2.85Å; I142-L145 PolarHBondContact O-N 3.24Å; I142-Q146 HydrophobicContact CG2-CG 4.42Å; I142-Q146 WeakPolarHBondContact O-CB 3.48Å; I142-Q146 WeakPolarHBondContact O-CG 3.37Å; I142-Q146 PolarHBondContact O-N 2.96Å; I142-W160 HydrophobicContact CG2-CH2 4.3Å; I142-W160 HydrophobicContact CG2-CZ2 4.47Å |
| 143 | D | 92.6 | Very high | 88.9 | Confident | 5 Ų | 5 | 50.5 Ų | 50.5 | 3% | 0.027 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.1 | -42 | 176.5 | -77.4 | -22.8 | 0 | 0 | 0 | 112.2 | Y132 Q139 L141 K147 F182 S183 | Y132-D143 PolarHBondContact OH-OD1 3.22Å; Y132-D143 PolarHBondContact OH-OD2 2.9Å; Q139-D143 VanDerWaalsContact O-CB 3.31Å; Q139-D143 WeakPolarHBondContact O-CB 3.4Å; Q139-D143 VanDerWaalsContact O-CG 3.25Å; Q139-D143 PolarHBondContact O-N 2.82Å; L141-D143 VanDerWaalsContact C-N 3.31Å; L141-D143 PolarHBondContact O-N 3.45Å; D143-K147 WeakPolarHBondContact O-CB 3.15Å; D143-K147 VanDerWaalsContact O-CG 3.24Å; D143-K147 WeakPolarHBondContact O-CG 3.4Å; D143-K147 PolarHBondContact O-N 2.95Å; D143-F182 VanDerWaalsContact OD2-CE1 3.3Å; D143-F182 WeakPolarHBondContact OD2-CE1 3.34Å; D143-S183 VanDerWaalsContact CA-CB 3.43Å; D143-S183 WeakPolarHBondContact O-CB 3.14Å; D143-S183 WeakPolarHBondContact OD1-CB 3.41Å; D143-S183 PolarHBondContact OD1-OG 2.93Å |
| 144 | S | 91.2 | Very high | 89.2 | Confident | 59 Ų | 59 | 46.7 Ų | 46.7 | 41% | 0.413 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.6 | -43.5 | 177.3 | -61.3 | 0 | 0 | 0 | 0 | 111.3 | N140 L141 I142 Q146 K147 M148 | N140-S144 VanDerWaalsContact O-CB 3.28Å; N140-S144 WeakPolarHBondContact O-CB 3.43Å; N140-S144 PolarHBondContact O-N 3.35Å; N140-S144 PolarHBondContact O-OG 3.35Å; L141-S144 PolarHBondContact O-N 3.44Å; I142-S144 VanDerWaalsContact C-N 3.33Å; I142-S144 PolarHBondContact O-N 2.85Å; S144-Q146 PolarHBondContact O-N 3.37Å; S144-K147 PolarHBondContact O-N 3.45Å; S144-M148 VanDerWaalsContact O-CB 3.27Å; S144-M148 WeakPolarHBondContact O-CB 3.29Å; S144-M148 WeakPolarHBondContact O-CG 3.32Å; S144-M148 PolarHBondContact O-N 3.04Å |
| 145 | L | 91.1 | Very high | 89.7 | Confident | 52 Ų | 52 | 46.1 Ų | 46.1 | 27% | 0.272 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.4 | -43 | 177.7 | -73.7 | 170.6 | 0 | 0 | 0 | 111.9 | F125 L141 I142 N149 | F125-L145 HydrophobicContact CE1-CD1 4.34Å; F125-L145 HydrophobicContact CZ-CD1 4Å; L141-L145 HydrophobicContact CD1-CD1 4.05Å; L141-L145 HydrophobicContact CD1-CG 4.24Å; L141-L145 HydrophobicContact CG-CD1 3.99Å; L141-L145 WeakPolarHBondContact O-CB 3.49Å; L141-L145 VanDerWaalsContact O-CG 3.3Å; L141-L145 WeakPolarHBondContact O-CG 3.4Å; L141-L145 PolarHBondContact O-N 2.97Å; I142-L145 PolarHBondContact O-N 3.24Å; L145-N149 WeakPolarHBondContact O-CB 3.28Å; L145-N149 PolarHBondContact O-N 2.97Å; L145-N149 VanDerWaalsContact O-N 3.09Å; L145-N149 PolarHBondContact O-ND2 3.01Å |
| 146 | Q | 94.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.1 | -44.9 | 178.6 | -76.3 | -178.5 | -11.8 | 0 | 0 | 112 | I142 S144 H150 C151 G153 S183 C184 | I142-Q146 HydrophobicContact CG2-CG 4.42Å; I142-Q146 WeakPolarHBondContact O-CB 3.48Å; I142-Q146 WeakPolarHBondContact O-CG 3.37Å; I142-Q146 PolarHBondContact O-N 2.96Å; S144-Q146 PolarHBondContact O-N 3.37Å; Q146-H150 WeakPolarHBondContact O-CA 3.33Å; Q146-H150 PolarHBondContact O-N 3.44Å; Q146-C151 VanDerWaalsContact CB-O 3.28Å; Q146-C151 WeakPolarHBondContact CB-O 3.37Å; Q146-C151 WeakPolarHBondContact CG-O 2.95Å; Q146-C151 PolarHBondContact O-N 3.29Å; Q146-C151 VanDerWaalsContact O-N 3.11Å; Q146-G153 VanDerWaalsContact NE2-N 3.15Å; Q146-S183 PolarHBondContact OE1-OG 3.4Å; Q146-C184 PolarHBondContact OE1-SG 3.34Å |
| 147 | K | 92.6 | Very high | 91.1 | Very high | 84 Ų | 84 | 43.5 Ų | 43.5 | 37% | 0.365 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.2 | -45.1 | 176 | -73.1 | 171.7 | -173.4 | 167 | 0 | 112.7 | D143 S144 N149 H150 | D143-K147 WeakPolarHBondContact O-CB 3.15Å; D143-K147 VanDerWaalsContact O-CG 3.24Å; D143-K147 WeakPolarHBondContact O-CG 3.4Å; D143-K147 PolarHBondContact O-N 2.95Å; S144-K147 PolarHBondContact O-N 3.45Å; K147-N149 VanDerWaalsContact C-N 3.33Å; K147-N149 PolarHBondContact O-N 3.38Å; K147-H150 PolarHBondContact O-CD2 3.35Å |
| 148 | M | 91.4 | Very high | 92 | Very high | 147 Ų | 147 | 43.6 Ų | 43.6 | 72% | 0.724 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -68.8 | -33.7 | -177 | -74.8 | 176.9 | 60.8 | 0 | 0 | 112.7 | S144 | S144-M148 VanDerWaalsContact O-CB 3.27Å; S144-M148 WeakPolarHBondContact O-CB 3.29Å; S144-M148 WeakPolarHBondContact O-CG 3.32Å; S144-M148 PolarHBondContact O-N 3.04Å |
| 149 | N | 91.5 | Very high | 92.6 | Very high | 62 Ų | 62 | 44.3 Ų | 44.3 | 33% | 0.332 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -103.1 | 5.2 | -175.4 | -60.9 | -68.4 | 0 | 0 | 0 | 113.5 | L145 K147 C151 | L145-N149 WeakPolarHBondContact O-CB 3.28Å; L145-N149 PolarHBondContact O-N 2.97Å; L145-N149 VanDerWaalsContact O-N 3.09Å; L145-N149 PolarHBondContact O-ND2 3.01Å; K147-N149 VanDerWaalsContact C-N 3.33Å; K147-N149 PolarHBondContact O-N 3.38Å; N149-C151 VanDerWaalsContact C-N 3.31Å; N149-C151 PolarHBondContact O-N 3.3Å |
| 150 | H | 94.3 | Very high | 92.9 | Very high | 121 Ų | 121 | 42.8 Ų | 42.8 | 56% | 0.56 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 52.5 | -178.9 | -60.6 | 168.5 | 0 | 0 | 0 | 111.9 | Q146 K147 F215 | Q146-H150 WeakPolarHBondContact O-CA 3.33Å; Q146-H150 PolarHBondContact O-N 3.44Å; K147-H150 PolarHBondContact O-CD2 3.35Å; H150-F215 VanDerWaalsContact C-CG 3.42Å; H150-F215 HydrophobicContact CB-CD1 3.77Å; H150-F215 HydrophobicContact CB-CD2 4.43Å; H150-F215 HydrophobicContact CB-CE1 3.58Å; H150-F215 HydrophobicContact CB-CE2 4.28Å; H150-F215 HydrophobicContact CB-CG 4.21Å; H150-F215 HydrophobicContact CB-CZ 3.85Å; H150-F215 AromaticContact CD2-CZ 3.76Å; H150-F215 AromaticContact CG-CE1 3.87Å; H150-F215 AromaticContact CG-CZ 3.85Å; H150-F215 WeakPolarHBondContact O-CB 3.23Å; H150-F215 WeakPolarHBondContact O-CG 3.4Å |
| 151 | C | 95.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -135.6 | 161.3 | -174.3 | 62.6 | 0 | 0 | 0 | 0 | 112 | Q146 N149 K217 C219 A222 | Q146-C151 VanDerWaalsContact CB-O 3.28Å; Q146-C151 WeakPolarHBondContact CB-O 3.37Å; Q146-C151 WeakPolarHBondContact CG-O 2.95Å; Q146-C151 PolarHBondContact O-N 3.29Å; Q146-C151 VanDerWaalsContact O-N 3.11Å; N149-C151 VanDerWaalsContact C-N 3.31Å; N149-C151 PolarHBondContact O-N 3.3Å; C151-K217 CarbonylContact C-O 3.53Å; C151-K217 WeakPolarHBondContact CA-O 3.34Å; C151-K217 VanDerWaalsContact CB-O 3.3Å; C151-K217 WeakPolarHBondContact CB-O 3.47Å; C151-C219 HydrophobicContact CB-CB 3.89Å; C151-C219 WeakPolarHBondContact CB-SG 3.33Å; C151-C219 WeakPolarHBondContact SG-CA 3.41Å; C151-C219 WeakPolarHBondContact SG-CB 3.38Å; C151-C219 CovalentContact SG-SG 2.04Å; C151-C219 PolarHBondContact SG-SG 3.48Å; C151-A222 HydrophobicContact CB-CB 3.93Å | ||
| 152 | C | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -140.9 | 129.9 | 176.4 | -168.9 | 0 | 0 | 0 | 0 | 112 | E156 P157 W160 C184 F215 K217 G218 | C152-E156 CarbonylContact O-C 3.46Å; C152-P157 HydrophobicContact CB-CG 4.3Å; C152-W160 PolarHBondContact SG-NE1 3.43Å; C152-W160 VanDerWaalsContact SG-NE1 3.41Å; C152-C184 WeakPolarHBondContact CA-SG 3.4Å; C152-C184 HydrophobicContact CB-CB 3.54Å; C152-C184 WeakPolarHBondContact CB-SG 3.18Å; C152-C184 WeakPolarHBondContact SG-CB 3.34Å; C152-C184 CovalentContact SG-SG 2.03Å; C152-C184 PolarHBondContact SG-SG 3.31Å; C152-F215 WeakPolarHBondContact CB-O 3.43Å; C152-K217 PolarHBondContact N-O 2.93Å; C152-G218 WeakPolarHBondContact O-CA 3.17Å | ||
| 153 | G | 94.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | S | Bend | trans | 73.6 | -172.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q146 C219 | Q146-G153 VanDerWaalsContact NE2-N 3.15Å; G153-C219 WeakPolarHBondContact O-CB 3.32Å; G153-C219 PolarHBondContact O-N 3.33Å; G153-C219 VanDerWaalsContact O-N 3.11Å; G153-C219 PolarHBondContact O-SG 2.82Å |
| 154 | A | 93.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -83.6 | -61.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | F125 L126 I129 D159 G218 C219 I220 | F125-A154 HydrophobicContact CB-CB 3.73Å; L126-A154 HydrophobicContact CD2-CB 3.67Å; L126-A154 HydrophobicContact CG-CB 3.98Å; I129-A154 HydrophobicContact CD1-CB 4.06Å; A154-D159 WeakPolarHBondContact CA-OD2 3.4Å; A154-D159 WeakPolarHBondContact CB-OD2 3.46Å; A154-D159 PolarHBondContact N-OD2 3.22Å; A154-G218 CarbonylContact O-C 3.47Å; A154-C219 PolarHBondContact O-N 3.43Å; A154-I220 HydrophobicContact CB-CD1 3.85Å; A154-I220 WeakPolarHBondContact O-CB 3.48Å; A154-I220 WeakPolarHBondContact O-CD1 3.27Å; A154-I220 WeakPolarHBondContact O-CG1 3.45Å; A154-I220 PolarHBondContact O-N 2.87Å |
| 155 | Q | 94.5 | Very high | 93.6 | Very high | 59 Ų | 59 | 48.4 Ų | 48.4 | 28% | 0.276 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -102.2 | -36.7 | 174.6 | -60.5 | -65.4 | -17.9 | 0 | 0 | 111.2 | S122 D159 G218 I220 | S122-Q155 PolarHBondContact OG-NE2 3.43Å; Q155-D159 PolarHBondContact N-OD2 2.87Å; Q155-G218 VanDerWaalsContact C-CA 3.48Å; Q155-G218 WeakPolarHBondContact O-CA 3.46Å; Q155-G218 PolarHBondContact O-N 2.85Å; Q155-I220 HydrophobicContact CG-CD1 4.37Å |
| 156 | E | 94.6 | Very high | 93.8 | Very high | 97 Ų | 97 | 46 Ų | 46 | 45% | 0.453 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -157.8 | 163.5 | -176.4 | 57.5 | 177.7 | -165.3 | 0 | 0 | 112.7 | C152 N158 D159 | C152-E156 CarbonylContact O-C 3.46Å; E156-N158 HydrophobicContact CG-CB 4.15Å; E156-N158 PolarHBondContact O-N 3.48Å; E156-D159 PolarHBondContact N-OD2 2.87Å; E156-D159 WeakPolarHBondContact O-CB 3.46Å; E156-D159 VanDerWaalsContact O-CG 3.24Å; E156-D159 PolarHBondContact O-N 3.25Å |
| 157 | P | 94.8 | Very high | 93.7 | Very high | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.032 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -59.9 | -21 | 178.5 | -25.2 | 34 | 0 | 0 | 0 | 114.3 | C152 D159 W160 V180 W210 I214 V216 | C152-P157 HydrophobicContact CB-CG 4.3Å; P157-D159 PolarHBondContact O-N 2.75Å; P157-W160 VanDerWaalsContact O-CD1 3.27Å; P157-W160 PolarHBondContact O-N 2.83Å; P157-V180 HydrophobicContact CB-CG1 4.34Å; P157-W210 HydrophobicContact CB-CE3 4.15Å; P157-W210 HydrophobicContact CB-CZ3 3.89Å; P157-W210 HydrophobicContact CG-CE3 4.15Å; P157-W210 HydrophobicContact CG-CZ3 4.18Å; P157-I214 HydrophobicContact CB-CD1 4.16Å; P157-I214 HydrophobicContact CG-CD1 4.25Å; P157-V216 VanDerWaalsContact CD-O 3.28Å; P157-V216 WeakPolarHBondContact CD-O 3.29Å |
| 158 | N | 94.8 | Very high | 93.6 | Very high | 41 Ų | 41 | 44.4 Ų | 44.4 | 22% | 0.219 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -71.9 | -14.8 | 177.5 | -77 | -37.5 | 0 | 0 | 0 | 113.9 | E156 W160 N161 W210 | E156-N158 HydrophobicContact CG-CB 4.15Å; E156-N158 PolarHBondContact O-N 3.48Å; N158-W160 PolarHBondContact O-N 2.89Å; N158-W160 VanDerWaalsContact O-N 3.1Å; N158-N161 VanDerWaalsContact O-CB 3.25Å; N158-N161 WeakPolarHBondContact O-CB 3.48Å; N158-N161 PolarHBondContact O-N 3.24Å; N158-N161 PolarHBondContact O-ND2 2.89Å; N158-W210 WeakPolarHBondContact OD1-CH2 3.47Å |
| 159 | D | 95 | Very high | 93.3 | Very high | 22 Ų | 22 | 44.4 Ų | 44.4 | 12% | 0.118 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -58.4 | -24.6 | 173.9 | -66.2 | -35.7 | 0 | 0 | 0 | 112.3 | L126 I129 A154 Q155 E156 P157 N161 L162 | L126-D159 HydrophobicContact CD2-CB 4.01Å; I129-D159 HydrophobicContact CD1-CB 4.18Å; A154-D159 WeakPolarHBondContact CA-OD2 3.4Å; A154-D159 WeakPolarHBondContact CB-OD2 3.46Å; A154-D159 PolarHBondContact N-OD2 3.22Å; Q155-D159 PolarHBondContact N-OD2 2.87Å; E156-D159 PolarHBondContact N-OD2 2.87Å; E156-D159 WeakPolarHBondContact O-CB 3.46Å; E156-D159 VanDerWaalsContact O-CG 3.24Å; E156-D159 PolarHBondContact O-N 3.25Å; P157-D159 PolarHBondContact O-N 2.75Å; D159-N161 PolarHBondContact O-N 3.4Å; D159-L162 WeakPolarHBondContact O-CB 3.49Å; D159-L162 WeakPolarHBondContact O-CG 3.44Å; D159-L162 PolarHBondContact O-N 3.11Å |
| 160 | W | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -62.1 | -10.5 | 172.7 | -71.5 | 110.6 | 0 | 0 | 0 | 113.8 | I129 Y132 I142 C152 P157 N158 L162 N163 F166 V180 P181 | I129-W160 HydrophobicContact CG1-CH2 4.29Å; I129-W160 HydrophobicContact CG1-CZ2 4.46Å; I129-W160 HydrophobicContact CG2-CD2 4.16Å; I129-W160 HydrophobicContact CG2-CE3 3.72Å; I129-W160 HydrophobicContact CG2-CH2 4.4Å; I129-W160 HydrophobicContact CG2-CZ3 3.85Å; Y132-W160 HydrophobicContact CD1-CH2 4.03Å; Y132-W160 AromaticContact CD1-CZ3 3.76Å; Y132-W160 HydrophobicContact CD1-CZ3 3.76Å; Y132-W160 AromaticContact CD2-CH2 3.69Å; Y132-W160 HydrophobicContact CD2-CH2 3.69Å; Y132-W160 HydrophobicContact CD2-CZ3 4.17Å; Y132-W160 HydrophobicContact CE1-CH2 4.35Å; Y132-W160 HydrophobicContact CE1-CZ3 4.35Å; Y132-W160 HydrophobicContact CE2-CH2 4.01Å; Y132-W160 AromaticContact CG-CH2 3.7Å; Y132-W160 HydrophobicContact CG-CH2 3.7Å; Y132-W160 AromaticContact CG-CZ3 3.67Å; Y132-W160 HydrophobicContact CG-CZ3 3.67Å; I142-W160 HydrophobicContact CG2-CH2 4.3Å; I142-W160 HydrophobicContact CG2-CZ2 4.47Å; C152-W160 PolarHBondContact SG-NE1 3.43Å; C152-W160 VanDerWaalsContact SG-NE1 3.41Å; P157-W160 VanDerWaalsContact O-CD1 3.27Å; P157-W160 PolarHBondContact O-N 2.83Å; N158-W160 PolarHBondContact O-N 2.89Å; N158-W160 VanDerWaalsContact O-N 3.1Å; W160-L162 PolarHBondContact O-N 2.85Å; W160-N163 HydrophobicContact CE3-CB 4.22Å; W160-N163 PolarHBondContact O-N 3.38Å; W160-F166 HydrophobicContact CB-CB 4Å; W160-F166 HydrophobicContact CE3-CB 4.45Å; W160-F166 AromaticContact CE3-CD2 3.7Å; W160-F166 HydrophobicContact CE3-CD2 3.7Å; W160-F166 HydrophobicContact CE3-CE2 4.17Å; W160-F166 HydrophobicContact CE3-CG 4.1Å; W160-F166 HydrophobicContact CZ3-CD2 4.07Å; W160-F166 HydrophobicContact CZ3-CE2 4.11Å; W160-F166 WeakPolarHBondContact O-CB 3.38Å; W160-V180 HydrophobicContact CG-CG1 4.17Å; W160-P181 HydrophobicContact CD2-CG 4.22Å; W160-P181 HydrophobicContact CE3-CG 4.17Å; W160-P181 HydrophobicContact CH2-CG 3.26Å; W160-P181 HydrophobicContact CZ2-CB 4.43Å; W160-P181 HydrophobicContact CZ2-CG 3.25Å; W160-P181 HydrophobicContact CZ3-CG 3.72Å |
| 161 | N | 94 | Very high | 91.4 | Very high | 49 Ų | 49 | 42.8 Ų | 42.8 | 26% | 0.262 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -65.9 | -20.7 | 168.4 | -73.5 | -37.4 | 0 | 0 | 0 | 114.1 | N158 D159 N163 S167 C168 R203 | N158-N161 VanDerWaalsContact O-CB 3.25Å; N158-N161 WeakPolarHBondContact O-CB 3.48Å; N158-N161 PolarHBondContact O-N 3.24Å; N158-N161 PolarHBondContact O-ND2 2.89Å; D159-N161 PolarHBondContact O-N 3.4Å; N161-N163 VanDerWaalsContact C-N 3.29Å; N161-S167 VanDerWaalsContact O-CB 3.3Å; N161-S167 WeakPolarHBondContact O-CB 3.31Å; N161-S167 PolarHBondContact O-OG 2.85Å; N161-C168 PolarHBondContact OD1-N 3.29Å; N161-R203 PolarHBondContact ND2-NH1 3.38Å; N161-R203 PolarHBondContact OD1-NH1 3.5Å |
| 162 | L | 92.6 | Very high | 90.3 | Very high | 92 Ų | 92 | 48.8 Ų | 48.8 | 48% | 0.482 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -74.9 | -20 | 176.3 | -61.3 | 176.5 | 0 | 0 | 0 | 112.7 | L126 D159 W160 | L126-L162 HydrophobicContact CB-CD1 4.22Å; L126-L162 HydrophobicContact CD2-CD1 3.63Å; L126-L162 HydrophobicContact CG-CD1 4.41Å; D159-L162 WeakPolarHBondContact O-CB 3.49Å; D159-L162 WeakPolarHBondContact O-CG 3.44Å; D159-L162 PolarHBondContact O-N 3.11Å; W160-L162 PolarHBondContact O-N 2.85Å |
| 163 | N | 92.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -89.1 | 133.4 | 177.5 | -173.8 | -73.8 | 0 | 0 | 0 | 110.8 | I129 K130 W160 N161 Y165 F166 S167 | I129-N163 HydrophobicContact CG2-CB 4.43Å; I129-N163 PolarHBondContact O-ND2 2.9Å; K130-N163 PolarHBondContact O-ND2 3.34Å; W160-N163 HydrophobicContact CE3-CB 4.22Å; W160-N163 PolarHBondContact O-N 3.38Å; N161-N163 VanDerWaalsContact C-N 3.29Å; N163-Y165 PolarHBondContact O-N 2.88Å; N163-Y165 WeakPolarHBondContact OD1-CB 3.38Å; N163-Y165 WeakPolarHBondContact OD1-CD2 3.38Å; N163-Y165 PolarHBondContact OD1-N 3.39Å; N163-F166 HydrophobicContact CB-CD2 4.1Å; N163-F166 PolarHBondContact O-N 3.17Å; N163-F166 WeakPolarHBondContact OD1-CD2 3.47Å; N163-S167 WeakPolarHBondContact O-CB 3.39Å; N163-S167 PolarHBondContact O-N 3.39Å |
| 164 | I | 91.8 | Very high | 89.2 | Confident | 92 Ų | 92 | 59.4 Ų | 59.4 | 47% | 0.472 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -27.6 | -176 | 64.9 | 176.3 | 0 | 0 | 0 | 114 | ||
| 165 | Y | 91.8 | Very high | 89 | Confident | 93 Ų | 93 | 68.7 Ų | 68.7 | 37% | 0.365 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -28.4 | -177.8 | -61.2 | -82.5 | 0 | 0 | 0 | 112.9 | R133 N163 S174 E176 K177 | R133-Y165 HydrophobicContact CB-CD2 3.44Å; R133-Y165 VanDerWaalsContact CB-CD2 3.44Å; R133-Y165 HydrophobicContact CB-CE2 3.31Å; R133-Y165 HydrophobicContact CB-CG 4.38Å; R133-Y165 HydrophobicContact CG-CD2 3.42Å; R133-Y165 VanDerWaalsContact CG-CD2 3.42Å; R133-Y165 HydrophobicContact CG-CE2 3.82Å; R133-Y165 HydrophobicContact CG-CG 3.95Å; N163-Y165 PolarHBondContact O-N 2.88Å; N163-Y165 WeakPolarHBondContact OD1-CB 3.38Å; N163-Y165 WeakPolarHBondContact OD1-CD2 3.38Å; N163-Y165 PolarHBondContact OD1-N 3.39Å; Y165-S174 WeakPolarHBondContact O-CB 3.3Å; Y165-S174 PolarHBondContact O-OG 2.86Å; Y165-E176 CarbonylContact O-C 3.42Å; Y165-K177 PolarHBondContact O-N 3.47Å |
| 166 | F | 94.3 | Very high | 88.9 | Confident | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.009 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -15.3 | -177.6 | -63.9 | -83.6 | 0 | 0 | 0 | 112.6 | Y132 R133 W160 N163 C168 E176 C178 G179 P181 R203 | Y132-F166 AromaticContact CD1-CE2 3.8Å; Y132-F166 HydrophobicContact CD1-CE2 3.8Å; Y132-F166 HydrophobicContact CD1-CZ 4.47Å; Y132-F166 AromaticContact CE1-CE2 3.84Å; Y132-F166 HydrophobicContact CE1-CE2 3.84Å; Y132-F166 HydrophobicContact CE1-CZ 4.05Å; R133-F166 HydrophobicContact CG-CE2 4.48Å; W160-F166 HydrophobicContact CB-CB 4Å; W160-F166 HydrophobicContact CE3-CB 4.45Å; W160-F166 AromaticContact CE3-CD2 3.7Å; W160-F166 HydrophobicContact CE3-CD2 3.7Å; W160-F166 HydrophobicContact CE3-CE2 4.17Å; W160-F166 HydrophobicContact CE3-CG 4.1Å; W160-F166 HydrophobicContact CZ3-CD2 4.07Å; W160-F166 HydrophobicContact CZ3-CE2 4.11Å; W160-F166 WeakPolarHBondContact O-CB 3.38Å; N163-F166 HydrophobicContact CB-CD2 4.1Å; N163-F166 PolarHBondContact O-N 3.17Å; N163-F166 WeakPolarHBondContact OD1-CD2 3.47Å; F166-C168 PolarHBondContact O-N 2.86Å; F166-E176 HydrophobicContact CD1-CB 3.84Å; F166-E176 WeakPolarHBondContact CD1-O 3.41Å; F166-E176 HydrophobicContact CE1-CB 3.66Å; F166-E176 HydrophobicContact CE1-CG 4.4Å; F166-E176 HydrophobicContact CZ-CB 4.24Å; F166-E176 WeakPolarHBondContact CZ-OE2 3.23Å; F166-C178 PolarHBondContact O-N 2.98Å; F166-G179 WeakPolarHBondContact CD1-O 3.27Å; F166-P181 HydrophobicContact CE1-CG 4.21Å; F166-P181 HydrophobicContact CE2-CG 4.25Å; F166-P181 HydrophobicContact CZ-CG 3.82Å; F166-R203 PolarHBondContact O-NH2 2.92Å |
| 167 | S | 93.4 | Very high | 88.8 | Confident | 20 Ų | 20 | 65.6 Ų | 65.6 | 14% | 0.14 | 33% | 0.329 | C | S | . | . | trans | -58.2 | 124.2 | -174.5 | -166.3 | 0 | 0 | 0 | 0 | 114.7 | N161 N163 N169 K177 | N161-S167 VanDerWaalsContact O-CB 3.3Å; N161-S167 WeakPolarHBondContact O-CB 3.31Å; N161-S167 PolarHBondContact O-OG 2.85Å; N163-S167 WeakPolarHBondContact O-CB 3.39Å; N163-S167 PolarHBondContact O-N 3.39Å; S167-N169 VanDerWaalsContact C-N 3.31Å; S167-N169 PolarHBondContact O-N 2.72Å; S167-K177 WeakPolarHBondContact O-CG 3.34Å | ||
| 168 | C | 90.1 | Very high | 88.7 | Confident | 30 Ų | 30 | 65.6 Ų | 65.6 | 20% | 0.203 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -32.8 | 173.5 | -78.3 | 0 | 0 | 0 | 0 | 113.5 | N161 F166 G170 K177 C178 | N161-C168 PolarHBondContact OD1-N 3.29Å; F166-C168 PolarHBondContact O-N 2.86Å; C168-G170 VanDerWaalsContact C-N 3.34Å; C168-K177 WeakPolarHBondContact O-CE 3.27Å; C168-K177 PolarHBondContact O-NZ 2.87Å; C168-K177 VanDerWaalsContact O-NZ 3.11Å; C168-C178 WeakPolarHBondContact CA-SG 3.4Å; C168-C178 HydrophobicContact CB-CB 4.39Å; C168-C178 WeakPolarHBondContact CB-SG 3.36Å; C168-C178 WeakPolarHBondContact SG-CA 3.33Å; C168-C178 WeakPolarHBondContact SG-CB 3.35Å; C168-C178 CovalentContact SG-SG 2.04Å; C168-C178 PolarHBondContact SG-SG 2.95Å |
| 169 | N | 85.1 | Confident | 88.7 | Confident | 146 Ų | 146 | 63.7 Ų | 63.7 | 78% | 0.781 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -0.8 | -174.2 | -62.2 | -15.8 | 0 | 0 | 0 | 112.3 | S167 | S167-N169 VanDerWaalsContact C-N 3.31Å; S167-N169 PolarHBondContact O-N 2.72Å |
| 170 | G | 72.6 | Confident | 88.7 | Confident | 18 Ų | 18 | 62.8 Ų | 62.8 | 19% | 0.186 | 31% | 0.314 | C | S | . | . | trans | -69 | 142.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | C168 K177 | C168-G170 VanDerWaalsContact C-N 3.34Å; G170-K177 PolarHBondContact O-NZ 3.01Å | ||
| 171 | T | 73.1 | Confident | 88.7 | Confident | 131 Ų | 131 | 62.9 Ų | 62.9 | 80% | 0.804 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -70.4 | -21 | 166.3 | 49.7 | 0 | 0 | 0 | 0 | 112.1 | ||
| 172 | H | 73.1 | Confident | 88.7 | Confident | 126 Ų | 126 | 63.1 Ų | 63.1 | 58% | 0.583 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -70.5 | 127.4 | 177.6 | -61 | -81.2 | 0 | 0 | 0 | 111 | S174 | H172-S174 VanDerWaalsContact C-N 3.35Å; H172-S174 PolarHBondContact O-N 3.49Å; H172-S174 VanDerWaalsContact O-N 3.15Å |
| 173 | Q | 78.5 | Confident | 88.8 | Confident | 197 Ų | 197 | 58.8 Ų | 58.8 | 92% | 0.921 | 29% | 0.291 | S | S | * | . | trans | -85.7 | 78.2 | 174.5 | -68.3 | -179.1 | -0.8 | 0 | 0 | 109.5 | ||||
| 174 | S | 88.1 | Confident | 88.9 | Confident | 26 Ų | 26 | 58.7 Ų | 58.7 | 18% | 0.182 | 29% | 0.291 | C | S | . | . | trans | -83.4 | 142.7 | 167.1 | 174.9 | 0 | 0 | 0 | 0 | 110 | Y165 H172 E176 K177 | Y165-S174 WeakPolarHBondContact O-CB 3.3Å; Y165-S174 PolarHBondContact O-OG 2.86Å; H172-S174 VanDerWaalsContact C-N 3.35Å; H172-S174 PolarHBondContact O-N 3.49Å; H172-S174 VanDerWaalsContact O-N 3.15Å; S174-E176 PolarHBondContact O-N 3.49Å; S174-E176 PolarHBondContact OG-N 3.39Å; S174-E176 VanDerWaalsContact OG-N 3.13Å; S174-K177 WeakPolarHBondContact O-CB 3.24Å; S174-K177 PolarHBondContact O-N 3.4Å | ||
| 175 | R | 90.3 | Very high | 89 | Confident | 195 Ų | 195 | 54.6 Ų | 54.6 | 74% | 0.736 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -23.7 | 172.2 | -173.1 | 62.2 | -178.5 | 154.8 | 3.8 | 112 | K177 Y200 | R175-K177 VanDerWaalsContact C-N 3.29Å; R175-Y200 HydrophobicContact CB-CE1 4.43Å; R175-Y200 HydrophobicContact CG-CD1 4.25Å; R175-Y200 HydrophobicContact CG-CE1 3.8Å; R175-Y200 VanDerWaalsContact O-CD1 3.27Å; R175-Y200 WeakPolarHBondContact O-CD1 3.49Å |
| 176 | E | 91.7 | Very high | 89 | Confident | 25 Ų | 25 | 53.4 Ų | 53.4 | 12% | 0.117 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 7.3 | 179.6 | -45.1 | -168.1 | 113.8 | 0 | 0 | 112.8 | R133 Y165 F166 S174 C178 G179 Y200 | R133-E176 IonicContact CZ-OE1 4Å; R133-E176 IonicContact CZ-OE2 3.04Å; R133-E176 IonicContact NE-OE2 2.62Å; R133-E176 PolarHBondContact NE-OE2 3.34Å; R133-E176 IonicContact NH2-OE1 2.61Å; R133-E176 PolarHBondContact NH2-OE1 3.48Å; R133-E176 IonicContact NH2-OE2 3.73Å; R133-E176 PolarHBondContact NH2-OE2 2.84Å; Y165-E176 CarbonylContact O-C 3.42Å; F166-E176 HydrophobicContact CD1-CB 3.84Å; F166-E176 WeakPolarHBondContact CD1-O 3.41Å; F166-E176 HydrophobicContact CE1-CB 3.66Å; F166-E176 HydrophobicContact CE1-CG 4.4Å; F166-E176 HydrophobicContact CZ-CB 4.24Å; F166-E176 WeakPolarHBondContact CZ-OE2 3.23Å; S174-E176 PolarHBondContact O-N 3.49Å; S174-E176 PolarHBondContact OG-N 3.39Å; S174-E176 VanDerWaalsContact OG-N 3.13Å; E176-C178 PolarHBondContact O-N 2.97Å; E176-G179 WeakPolarHBondContact O-CA 3.46Å; E176-G179 PolarHBondContact O-N 3.48Å; E176-Y200 HydrophobicContact CG-CE1 3.97Å; E176-Y200 PolarHBondContact OE1-OH 3.41Å |
| 177 | K | 92.9 | Very high | 88.5 | Confident | 66 Ų | 66 | 57.2 Ų | 57.2 | 29% | 0.287 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 137.5 | 178.9 | 175.9 | 166.1 | -176.3 | 169.8 | 0 | 110.5 | Y165 S167 C168 G170 S174 R175 G179 | Y165-K177 PolarHBondContact O-N 3.47Å; S167-K177 WeakPolarHBondContact O-CG 3.34Å; C168-K177 WeakPolarHBondContact O-CE 3.27Å; C168-K177 PolarHBondContact O-NZ 2.87Å; C168-K177 VanDerWaalsContact O-NZ 3.11Å; G170-K177 PolarHBondContact O-NZ 3.01Å; S174-K177 WeakPolarHBondContact O-CB 3.24Å; S174-K177 PolarHBondContact O-N 3.4Å; R175-K177 VanDerWaalsContact C-N 3.29Å; K177-G179 PolarHBondContact O-N 3.33Å |
| 178 | C | 93.2 | Very high | 88 | Confident | 6 Ų | 6 | 60.5 Ų | 60.5 | 4% | 0.041 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 18.8 | -174.2 | -65.9 | 0 | 0 | 0 | 0 | 114.7 | F166 C168 E176 D201 V202 R203 N204 | F166-C178 PolarHBondContact O-N 2.98Å; C168-C178 WeakPolarHBondContact CA-SG 3.4Å; C168-C178 HydrophobicContact CB-CB 4.39Å; C168-C178 WeakPolarHBondContact CB-SG 3.36Å; C168-C178 WeakPolarHBondContact SG-CA 3.33Å; C168-C178 WeakPolarHBondContact SG-CB 3.35Å; C168-C178 CovalentContact SG-SG 2.04Å; C168-C178 PolarHBondContact SG-SG 2.95Å; E176-C178 PolarHBondContact O-N 2.97Å; C178-D201 CarbonylContact O-C 3.43Å; C178-V202 PolarHBondContact O-N 3.4Å; C178-R203 WeakPolarHBondContact O-CA 3.25Å; C178-R203 WeakPolarHBondContact O-CB 3.43Å; C178-R203 PolarHBondContact O-N 3.47Å; C178-N204 VanDerWaalsContact CB-OD1 3.22Å; C178-N204 WeakPolarHBondContact CB-OD1 3.23Å; C178-N204 PolarHBondContact SG-OD1 2.92Å |
| 179 | G | 94.1 | Very high | 87.4 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | trans | -100.7 | -176.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F166 E176 K177 G199 R203 | F166-G179 WeakPolarHBondContact CD1-O 3.27Å; E176-G179 WeakPolarHBondContact O-CA 3.46Å; E176-G179 PolarHBondContact O-N 3.48Å; K177-G179 PolarHBondContact O-N 3.33Å; G179-G199 CarbonylContact C-O 3.57Å; G179-G199 WeakPolarHBondContact CA-O 3.31Å; G179-R203 VanDerWaalsContact O-CZ 3.27Å; G179-R203 PolarHBondContact O-NE 3.33Å; G179-R203 PolarHBondContact O-NH2 2.87Å | ||
| 180 | V | 95.4 | Very high | 87 | Confident | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.018 | 34% | 0.338 | C | S | . | . | trans | -131.9 | 160.9 | 165.2 | -61.1 | 0 | 0 | 0 | 0 | 108.1 | P157 W160 C184 G199 V202 R203 I214 | P157-V180 HydrophobicContact CB-CG1 4.34Å; W160-V180 HydrophobicContact CG-CG1 4.17Å; V180-C184 HydrophobicContact CB-CB 4.14Å; V180-C184 HydrophobicContact CG2-CB 3.64Å; V180-G199 PolarHBondContact N-O 3.22Å; V180-G199 WeakPolarHBondContact O-CA 3.39Å; V180-V202 HydrophobicContact CG1-CG1 4.45Å; V180-V202 HydrophobicContact CG2-CG1 4.05Å; V180-R203 HydrophobicContact CG1-CG 4.29Å; V180-I214 HydrophobicContact CG1-CD1 4.46Å; V180-I214 HydrophobicContact CG2-CD1 4.16Å; V180-I214 HydrophobicContact CG2-CG2 3.86Å | ||
| 181 | P | 95.1 | Very high | 87.2 | Confident | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.013 | 36% | 0.355 | C | S | . | . | trans | -59.3 | 154.4 | 173.7 | -27 | 37.2 | 0 | 0 | 0 | 112.9 | Y132 W160 F166 S183 C184 | Y132-P181 HydrophobicContact CD1-CG 4.46Å; Y132-P181 HydrophobicContact CE1-CB 4.32Å; Y132-P181 HydrophobicContact CE1-CG 3.77Å; Y132-P181 HydrophobicContact CE2-CG 4.23Å; Y132-P181 WeakPolarHBondContact OH-CB 3.44Å; W160-P181 HydrophobicContact CD2-CG 4.22Å; W160-P181 HydrophobicContact CE3-CG 4.17Å; W160-P181 HydrophobicContact CH2-CG 3.26Å; W160-P181 HydrophobicContact CZ2-CB 4.43Å; W160-P181 HydrophobicContact CZ2-CG 3.25Å; W160-P181 HydrophobicContact CZ3-CG 3.72Å; F166-P181 HydrophobicContact CE1-CG 4.21Å; F166-P181 HydrophobicContact CE2-CG 4.25Å; F166-P181 HydrophobicContact CZ-CG 3.82Å; P181-S183 WeakPolarHBondContact CB-OG 3.41Å; P181-S183 PolarHBondContact O-N 3.04Å; P181-S183 VanDerWaalsContact O-N 3.12Å; P181-C184 VanDerWaalsContact O-CB 3.31Å; P181-C184 WeakPolarHBondContact O-CB 3.46Å; P181-C184 PolarHBondContact O-N 3.39Å | ||
| 182 | F | 92.8 | Very high | 87.2 | Confident | 53 Ų | 53 | 66.2 Ų | 66.2 | 23% | 0.232 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -61 | -22.1 | 178.6 | 77.6 | -76.2 | 0 | 0 | 0 | 113.8 | D143 C184 C185 L194 T196 | D143-F182 VanDerWaalsContact OD2-CE1 3.3Å; D143-F182 WeakPolarHBondContact OD2-CE1 3.34Å; F182-C184 PolarHBondContact O-N 3.38Å; F182-C185 VanDerWaalsContact O-CB 3.32Å; F182-C185 WeakPolarHBondContact O-CB 3.48Å; F182-C185 PolarHBondContact O-N 3.18Å; F182-C185 VanDerWaalsContact O-N 3.13Å; F182-L194 HydrophobicContact CD2-CD2 3.56Å; F182-L194 HydrophobicContact CD2-CG 4.44Å; F182-L194 HydrophobicContact CE2-CD2 3.76Å; F182-T196 HydrophobicContact CD2-CG2 4.27Å |
| 183 | S | 94.3 | Very high | 87.4 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.007 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -66.8 | -20.2 | 174.1 | 50.2 | 0 | 0 | 0 | 0 | 114 | D143 Q146 P181 C185 | D143-S183 VanDerWaalsContact CA-CB 3.43Å; D143-S183 WeakPolarHBondContact O-CB 3.14Å; D143-S183 WeakPolarHBondContact OD1-CB 3.41Å; D143-S183 PolarHBondContact OD1-OG 2.93Å; Q146-S183 PolarHBondContact OE1-OG 3.4Å; P181-S183 WeakPolarHBondContact CB-OG 3.41Å; P181-S183 PolarHBondContact O-N 3.04Å; P181-S183 VanDerWaalsContact O-N 3.12Å; S183-C185 VanDerWaalsContact C-N 3.28Å |
| 184 | C | 95.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -78.2 | -10.3 | 171.7 | -69.5 | 0 | 0 | 0 | 0 | 113.5 | Q146 C152 V180 P181 F182 I214 F215 | Q146-C184 PolarHBondContact OE1-SG 3.34Å; C152-C184 WeakPolarHBondContact CA-SG 3.4Å; C152-C184 HydrophobicContact CB-CB 3.54Å; C152-C184 WeakPolarHBondContact CB-SG 3.18Å; C152-C184 WeakPolarHBondContact SG-CB 3.34Å; C152-C184 CovalentContact SG-SG 2.03Å; C152-C184 PolarHBondContact SG-SG 3.31Å; V180-C184 HydrophobicContact CB-CB 4.14Å; V180-C184 HydrophobicContact CG2-CB 3.64Å; P181-C184 VanDerWaalsContact O-CB 3.31Å; P181-C184 WeakPolarHBondContact O-CB 3.46Å; P181-C184 PolarHBondContact O-N 3.39Å; F182-C184 PolarHBondContact O-N 3.38Å; C184-I214 CarbonylContact O-C 3.34Å; C184-I214 VanDerWaalsContact O-CA 3.28Å; C184-I214 WeakPolarHBondContact O-CA 3.42Å; C184-I214 WeakPolarHBondContact O-CB 3.32Å; C184-F215 VanDerWaalsContact O-CD2 3.23Å; C184-F215 WeakPolarHBondContact O-CD2 3.48Å; C184-F215 PolarHBondContact O-N 3.44Å |
| 185 | C | 93.4 | Very high | 87.1 | Confident | 6 Ų | 6 | 62.3 Ų | 62.3 | 4% | 0.041 | 35% | 0.35 | C | S | . | . | B | Isolated β-bridge | trans | -81.4 | 146.6 | -171.3 | -61.5 | 0 | 0 | 0 | 0 | 113.1 | F182 S183 P187 C198 G199 F215 | F182-C185 VanDerWaalsContact O-CB 3.32Å; F182-C185 WeakPolarHBondContact O-CB 3.48Å; F182-C185 PolarHBondContact O-N 3.18Å; F182-C185 VanDerWaalsContact O-N 3.13Å; S183-C185 VanDerWaalsContact C-N 3.28Å; C185-P187 WeakPolarHBondContact O-CD 3.38Å; C185-C198 HydrophobicContact CB-CB 3.63Å; C185-C198 WeakPolarHBondContact CB-SG 3.37Å; C185-C198 WeakPolarHBondContact SG-CB 3.25Å; C185-C198 CovalentContact SG-SG 1.98Å; C185-C198 PolarHBondContact SG-SG 3.26Å; C185-G199 PolarHBondContact SG-N 2.97Å; C185-G199 VanDerWaalsContact SG-N 3.41Å; C185-F215 WeakPolarHBondContact O-CE2 3.34Å |
| 186 | I | 91.5 | Very high | 86.8 | Confident | 68 Ų | 68 | 57.2 Ų | 57.2 | 35% | 0.349 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 120 | 173.3 | -59.1 | 170 | 0 | 0 | 0 | 107.2 | K211 K213 F215 | I186-K211 WeakPolarHBondContact CD1-O 3.35Å; I186-K213 PolarHBondContact N-O 3.41Å; I186-F215 HydrophobicContact CG1-CD1 3.94Å; I186-F215 HydrophobicContact CG1-CE1 3.81Å; I186-F215 HydrophobicContact CG1-CG 4.42Å; I186-F215 HydrophobicContact CG1-CZ 4.2Å |
| 187 | P | 85.1 | Confident | 86.6 | Confident | 81 Ų | 81 | 62.6 Ų | 62.6 | 53% | 0.526 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 133 | 177 | 27.3 | -31.9 | 0 | 0 | 0 | 110.3 | C185 L194 | C185-P187 WeakPolarHBondContact O-CD 3.38Å; P187-L194 HydrophobicContact CB-CD1 4.37Å |
| 188 | D | 81.6 | Confident | 86.5 | Confident | 89 Ų | 89 | 60.7 Ų | 60.7 | 48% | 0.476 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -78 | 122.2 | 171.3 | -168.7 | -33.6 | 0 | 0 | 0 | 109.1 | A190 D191 | D188-A190 PolarHBondContact O-N 3.21Å; D188-A190 WeakPolarHBondContact OD1-CB 3.27Å; D188-A190 PolarHBondContact OD1-N 3.4Å; D188-D191 HydrophobicContact CB-CB 4.26Å; D188-D191 PolarHBondContact O-N 3.41Å; D188-D191 VanDerWaalsContact O-N 3.13Å |
| 189 | P | 77.6 | Confident | 86.4 | Confident | 134 Ų | 134 | 60.4 Ų | 60.4 | 87% | 0.87 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -17.1 | 178.3 | 26 | -34.8 | 0 | 0 | 0 | 114.1 | ||
| 190 | A | 77.7 | Confident | 86.3 | Confident | 86 Ų | 86 | 63.9 Ų | 63.9 | 71% | 0.711 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -22 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D188 | D188-A190 PolarHBondContact O-N 3.21Å; D188-A190 WeakPolarHBondContact OD1-CB 3.27Å; D188-A190 PolarHBondContact OD1-N 3.4Å |
| 191 | D | 77.3 | Confident | 86.1 | Confident | 99 Ų | 99 | 67 Ų | 67 | 53% | 0.529 | 39% | 0.389 | S | S | . | . | trans | -91.1 | 123 | -178.4 | -76.7 | -26.3 | 0 | 0 | 0 | 111.1 | D188 V193 | D188-D191 HydrophobicContact CB-CB 4.26Å; D188-D191 PolarHBondContact O-N 3.41Å; D188-D191 VanDerWaalsContact O-N 3.13Å; D191-V193 PolarHBondContact O-N 2.89Å | ||
| 192 | S | 73.4 | Confident | 86 | Confident | 127 Ų | 127 | 67.1 Ų | 67.1 | 89% | 0.888 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -75.5 | -10.2 | 175 | 63.2 | 0 | 0 | 0 | 0 | 113.4 | ||
| 193 | V | 76.8 | Confident | 86 | Confident | 110 Ų | 110 | 65.4 Ų | 65.4 | 67% | 0.667 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -128.4 | 128.5 | -177 | -176.2 | 0 | 0 | 0 | 0 | 109 | D191 N195 | D191-V193 PolarHBondContact O-N 2.89Å; V193-N195 PolarHBondContact O-N 3.18Å |
| 194 | L | 77.1 | Confident | 85.8 | Confident | 72 Ų | 72 | 70.2 Ų | 70.2 | 38% | 0.377 | 41% | 0.407 | S | S | . | . | trans | -63.4 | 118.2 | 177 | -175.7 | 67 | 0 | 0 | 0 | 110 | F182 P187 T196 | F182-L194 HydrophobicContact CD2-CD2 3.56Å; F182-L194 HydrophobicContact CD2-CG 4.44Å; F182-L194 HydrophobicContact CE2-CD2 3.76Å; P187-L194 HydrophobicContact CB-CD1 4.37Å; L194-T196 PolarHBondContact O-N 3.49Å | ||
| 195 | N | 82.7 | Confident | 85.5 | Confident | 85 Ų | 85 | 73.7 Ų | 73.7 | 46% | 0.455 | 42% | 0.423 | S | S | . | . | trans | -66.4 | 102 | 173.2 | 179.8 | -2.4 | 0 | 0 | 0 | 109.7 | V193 Q197 C198 | V193-N195 PolarHBondContact O-N 3.18Å; N195-Q197 PolarHBondContact O-N 2.95Å; N195-Q197 WeakPolarHBondContact OD1-CA 3.31Å; N195-Q197 WeakPolarHBondContact OD1-CB 3.39Å; N195-Q197 PolarHBondContact OD1-N 2.89Å; N195-C198 HydrophobicContact CB-CB 4.43Å; N195-C198 WeakPolarHBondContact O-CB 3.26Å; N195-C198 PolarHBondContact O-N 3.23Å; N195-C198 PolarHBondContact O-SG 3.29Å; N195-C198 PolarHBondContact OD1-N 3.47Å | ||
| 196 | T | 84.7 | Confident | 85.2 | Confident | 87 Ų | 87 | 79.5 Ų | 79.5 | 53% | 0.534 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -10.8 | 179 | 52.7 | 0 | 0 | 0 | 0 | 113.6 | F182 L194 | F182-T196 HydrophobicContact CD2-CG2 4.27Å; L194-T196 PolarHBondContact O-N 3.49Å |
| 197 | Q | 87.3 | Confident | 84.9 | Confident | 138 Ų | 138 | 82.2 Ų | 82.2 | 65% | 0.645 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -1.7 | 179.9 | -64.2 | -178.4 | -18.3 | 0 | 0 | 113.8 | N195 G199 Y200 | N195-Q197 PolarHBondContact O-N 2.95Å; N195-Q197 WeakPolarHBondContact OD1-CA 3.31Å; N195-Q197 WeakPolarHBondContact OD1-CB 3.39Å; N195-Q197 PolarHBondContact OD1-N 2.89Å; Q197-G199 PolarHBondContact O-N 3.01Å; Q197-G199 VanDerWaalsContact O-N 3.09Å; Q197-Y200 HydrophobicContact CB-CD2 4.1Å; Q197-Y200 HydrophobicContact CB-CE2 4.39Å; Q197-Y200 HydrophobicContact CG-CD2 4.46Å; Q197-Y200 HydrophobicContact CG-CE2 4.32Å; Q197-Y200 WeakPolarHBondContact O-CB 3.26Å; Q197-Y200 WeakPolarHBondContact O-CD2 3.37Å; Q197-Y200 PolarHBondContact O-N 3.47Å; Q197-Y200 VanDerWaalsContact O-N 3.09Å |
| 198 | C | 90.3 | Very high | 85 | Confident | 27 Ų | 27 | 86.3 Ų | 86.3 | 18% | 0.182 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -34.5 | 178.8 | 54.1 | 0 | 0 | 0 | 0 | 114.6 | C185 N195 | C185-C198 HydrophobicContact CB-CB 3.63Å; C185-C198 WeakPolarHBondContact CB-SG 3.37Å; C185-C198 WeakPolarHBondContact SG-CB 3.25Å; C185-C198 CovalentContact SG-SG 1.98Å; C185-C198 PolarHBondContact SG-SG 3.26Å; N195-C198 HydrophobicContact CB-CB 4.43Å; N195-C198 WeakPolarHBondContact O-CB 3.26Å; N195-C198 PolarHBondContact O-N 3.23Å; N195-C198 PolarHBondContact O-SG 3.29Å; N195-C198 PolarHBondContact OD1-N 3.47Å |
| 199 | G | 91.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 85.8 Ų | 85.8 | 0% | 0 | 47% | 0.465 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -6.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | G179 V180 C185 Q197 | G179-G199 CarbonylContact C-O 3.57Å; G179-G199 WeakPolarHBondContact CA-O 3.31Å; V180-G199 PolarHBondContact N-O 3.22Å; V180-G199 WeakPolarHBondContact O-CA 3.39Å; C185-G199 PolarHBondContact SG-N 2.97Å; C185-G199 VanDerWaalsContact SG-N 3.41Å; Q197-G199 PolarHBondContact O-N 3.01Å; Q197-G199 VanDerWaalsContact O-N 3.09Å |
| 200 | Y | 92.6 | Very high | 85.9 | Confident | 73 Ų | 73 | 80 Ų | 80 | 29% | 0.286 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | 137 | -176 | -75.6 | -112.8 | 0 | 0 | 0 | 110.9 | R175 E176 Q197 V202 | R175-Y200 HydrophobicContact CB-CE1 4.43Å; R175-Y200 HydrophobicContact CG-CD1 4.25Å; R175-Y200 HydrophobicContact CG-CE1 3.8Å; R175-Y200 VanDerWaalsContact O-CD1 3.27Å; R175-Y200 WeakPolarHBondContact O-CD1 3.49Å; E176-Y200 HydrophobicContact CG-CE1 3.97Å; E176-Y200 PolarHBondContact OE1-OH 3.41Å; Q197-Y200 HydrophobicContact CB-CD2 4.1Å; Q197-Y200 HydrophobicContact CB-CE2 4.39Å; Q197-Y200 HydrophobicContact CG-CD2 4.46Å; Q197-Y200 HydrophobicContact CG-CE2 4.32Å; Q197-Y200 WeakPolarHBondContact O-CB 3.26Å; Q197-Y200 WeakPolarHBondContact O-CD2 3.37Å; Q197-Y200 PolarHBondContact O-N 3.47Å; Q197-Y200 VanDerWaalsContact O-N 3.09Å; Y200-V202 PolarHBondContact O-N 3.46Å |
| 201 | D | 91.4 | Very high | 86.5 | Confident | 70 Ų | 70 | 83 Ų | 83 | 37% | 0.374 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 7.8 | 179.1 | -62.2 | -56.2 | 0 | 0 | 0 | 115.3 | C178 R203 N204 | C178-D201 CarbonylContact O-C 3.43Å; D201-R203 PolarHBondContact O-N 3.02Å; D201-N204 VanDerWaalsContact O-CB 3.31Å; D201-N204 WeakPolarHBondContact O-CB 3.34Å; D201-N204 PolarHBondContact O-N 2.78Å; D201-N204 PolarHBondContact OD1-ND2 3.46Å |
| 202 | V | 92.1 | Very high | 87 | Confident | 3 Ų | 3 | 86 Ų | 86 | 2% | 0.018 | 43% | 0.434 | C | S | . | . | G | 310 helix | trans | -61.7 | -34.6 | -173.2 | 77.5 | 0 | 0 | 0 | 0 | 111.5 | C178 V180 Y200 N204 Q205 W210 K213 I214 | C178-V202 PolarHBondContact O-N 3.4Å; V180-V202 HydrophobicContact CG1-CG1 4.45Å; V180-V202 HydrophobicContact CG2-CG1 4.05Å; Y200-V202 PolarHBondContact O-N 3.46Å; V202-N204 VanDerWaalsContact C-N 3.28Å; V202-N204 PolarHBondContact O-N 2.95Å; V202-Q205 WeakPolarHBondContact O-CB 3.31Å; V202-Q205 PolarHBondContact O-N 2.86Å; V202-W210 PolarHBondContact O-NE1 3.41Å; V202-K213 HydrophobicContact CG2-CB 4.25Å; V202-K213 HydrophobicContact CG2-CD 4.22Å; V202-I214 HydrophobicContact CG1-CD1 3.99Å; V202-I214 HydrophobicContact CG1-CG2 4.4Å; V202-I214 HydrophobicContact CG2-CD1 4.47Å; V202-I214 HydrophobicContact CG2-CG1 4.45Å; V202-I214 HydrophobicContact CG2-CG2 4.28Å |
| 203 | R | 92.5 | Very high | 87.8 | Confident | 17 Ų | 17 | 84 Ų | 84 | 6% | 0.064 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -82.4 | -1 | 179.2 | -54.8 | -172.9 | -75.1 | 127.4 | 1.5 | 113.9 | N161 F166 C178 G179 V180 D201 Q205 W210 | N161-R203 PolarHBondContact ND2-NH1 3.38Å; N161-R203 PolarHBondContact OD1-NH1 3.5Å; F166-R203 PolarHBondContact O-NH2 2.92Å; C178-R203 WeakPolarHBondContact O-CA 3.25Å; C178-R203 WeakPolarHBondContact O-CB 3.43Å; C178-R203 PolarHBondContact O-N 3.47Å; G179-R203 VanDerWaalsContact O-CZ 3.27Å; G179-R203 PolarHBondContact O-NE 3.33Å; G179-R203 PolarHBondContact O-NH2 2.87Å; V180-R203 HydrophobicContact CG1-CG 4.29Å; D201-R203 PolarHBondContact O-N 3.02Å; R203-Q205 VanDerWaalsContact C-N 3.32Å; R203-W210 HydrophobicContact CB-CH2 4.22Å; R203-W210 HydrophobicContact CB-CZ2 3.68Å; R203-W210 HydrophobicContact CG-CH2 3.93Å; R203-W210 HydrophobicContact CG-CZ2 3.71Å |
| 204 | N | 90.8 | Very high | 88.6 | Confident | 102 Ų | 102 | 78.8 Ų | 78.8 | 55% | 0.545 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -79.2 | -20 | 165.3 | -69.5 | -38.9 | 0 | 0 | 0 | 112.1 | C178 D201 V202 | C178-N204 VanDerWaalsContact CB-OD1 3.22Å; C178-N204 WeakPolarHBondContact CB-OD1 3.23Å; C178-N204 PolarHBondContact SG-OD1 2.92Å; D201-N204 VanDerWaalsContact O-CB 3.31Å; D201-N204 WeakPolarHBondContact O-CB 3.34Å; D201-N204 PolarHBondContact O-N 2.78Å; D201-N204 PolarHBondContact OD1-ND2 3.46Å; V202-N204 VanDerWaalsContact C-N 3.28Å; V202-N204 PolarHBondContact O-N 2.95Å |
| 205 | Q | 88.5 | Confident | 89.5 | Confident | 73 Ų | 73 | 77 Ų | 77 | 34% | 0.341 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -85 | 165.2 | 178.3 | -59.3 | -173.6 | -32.9 | 0 | 0 | 111 | V202 R203 E209 W210 | V202-Q205 WeakPolarHBondContact O-CB 3.31Å; V202-Q205 PolarHBondContact O-N 2.86Å; R203-Q205 VanDerWaalsContact C-N 3.32Å; Q205-E209 HydrophobicContact CB-CB 4.41Å; Q205-E209 PolarHBondContact OE1-OE2 2.97Å; Q205-W210 PolarHBondContact O-NE1 2.99Å; Q205-W210 VanDerWaalsContact O-NE1 3.17Å |
| 206 | Q | 87.4 | Confident | 90 | Very high | 129 Ų | 129 | 75.5 Ų | 75.5 | 60% | 0.603 | 36% | 0.36 | S | S | * | . | trans | -62.4 | 141.4 | 175.4 | -65.9 | -171.8 | 6.5 | 0 | 0 | 110.6 | K208 E209 | Q206-K208 PolarHBondContact O-N 3.34Å; Q206-E209 WeakPolarHBondContact O-CB 3.42Å; Q206-E209 PolarHBondContact O-N 3.09Å | ||
| 207 | E | 85.3 | Confident | 90.5 | Very high | 125 Ų | 125 | 74.2 Ų | 74.2 | 58% | 0.584 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -54.5 | -24.7 | -179.5 | -65.5 | -176.5 | 172.5 | 0 | 0 | 114 | E209 W210 | E207-E209 VanDerWaalsContact C-N 3.27Å; E207-E209 PolarHBondContact O-N 3.19Å; E207-W210 HydrophobicContact CB-CD2 4.39Å; E207-W210 HydrophobicContact CG-CD2 4.39Å; E207-W210 HydrophobicContact CG-CE3 4.4Å; E207-W210 HydrophobicContact CG-CH2 3.92Å; E207-W210 HydrophobicContact CG-CZ2 3.9Å; E207-W210 HydrophobicContact CG-CZ3 4.18Å; E207-W210 WeakPolarHBondContact O-CB 3.32Å; E207-W210 PolarHBondContact O-N 3.35Å |
| 208 | K | 86.3 | Confident | 90.9 | Very high | 166 Ų | 166 | 67.7 Ų | 67.7 | 72% | 0.722 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.4 | -35 | 175.2 | -65.5 | -177.8 | -177.8 | 176.5 | 0 | 112.4 | Q206 W210 | Q206-K208 PolarHBondContact O-N 3.34Å; K208-W210 VanDerWaalsContact C-N 3.32Å |
| 209 | E | 88.5 | Confident | 91.1 | Very high | 79 Ų | 79 | 66.8 Ų | 66.8 | 37% | 0.369 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -78.2 | -18 | -179 | -62.6 | 173.4 | -143.1 | 0 | 0 | 112.1 | Q205 Q206 E207 K211 E212 | Q205-E209 HydrophobicContact CB-CB 4.41Å; Q205-E209 PolarHBondContact OE1-OE2 2.97Å; Q206-E209 WeakPolarHBondContact O-CB 3.42Å; Q206-E209 PolarHBondContact O-N 3.09Å; E207-E209 VanDerWaalsContact C-N 3.27Å; E207-E209 PolarHBondContact O-N 3.19Å; E209-K211 VanDerWaalsContact C-N 3.28Å; E209-K211 PolarHBondContact O-N 2.78Å; E209-E212 PolarHBondContact O-N 2.93Å |
| 210 | W | 91.3 | Very high | 91.2 | Very high | 13 Ų | 13 | 67 Ų | 67 | 5% | 0.049 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.6 | -35.1 | -178.2 | -62.7 | 5.2 | 0 | 0 | 0 | 112.1 | P157 N158 V202 R203 Q205 E207 K208 E212 K213 I214 V216 | P157-W210 HydrophobicContact CB-CE3 4.15Å; P157-W210 HydrophobicContact CB-CZ3 3.89Å; P157-W210 HydrophobicContact CG-CE3 4.15Å; P157-W210 HydrophobicContact CG-CZ3 4.18Å; N158-W210 WeakPolarHBondContact OD1-CH2 3.47Å; V202-W210 PolarHBondContact O-NE1 3.41Å; R203-W210 HydrophobicContact CB-CH2 4.22Å; R203-W210 HydrophobicContact CB-CZ2 3.68Å; R203-W210 HydrophobicContact CG-CH2 3.93Å; R203-W210 HydrophobicContact CG-CZ2 3.71Å; Q205-W210 PolarHBondContact O-NE1 2.99Å; Q205-W210 VanDerWaalsContact O-NE1 3.17Å; E207-W210 HydrophobicContact CB-CD2 4.39Å; E207-W210 HydrophobicContact CG-CD2 4.39Å; E207-W210 HydrophobicContact CG-CE3 4.4Å; E207-W210 HydrophobicContact CG-CH2 3.92Å; E207-W210 HydrophobicContact CG-CZ2 3.9Å; E207-W210 HydrophobicContact CG-CZ3 4.18Å; E207-W210 WeakPolarHBondContact O-CB 3.32Å; E207-W210 PolarHBondContact O-N 3.35Å; K208-W210 VanDerWaalsContact C-N 3.32Å; W210-E212 PolarHBondContact O-N 3.25Å; W210-E212 VanDerWaalsContact O-N 3.09Å; W210-K213 PolarHBondContact O-N 2.85Å; W210-I214 HydrophobicContact CB-CD1 4.17Å; W210-I214 HydrophobicContact CB-CG1 3.94Å; W210-I214 HydrophobicContact CD2-CD1 4.48Å; W210-I214 HydrophobicContact CE3-CD1 4.43Å; W210-I214 HydrophobicContact CG-CD1 4.4Å; W210-I214 WeakPolarHBondContact O-CG1 3.42Å; W210-I214 PolarHBondContact O-N 3.22Å; W210-V216 HydrophobicContact CB-CG1 3.63Å |
| 211 | K | 88.9 | Confident | 91.3 | Very high | 147 Ų | 147 | 65 Ų | 65 | 64% | 0.639 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -21.8 | -175.2 | -66.2 | -174.7 | 179.4 | -177.3 | 0 | 114 | I186 E209 V216 | I186-K211 WeakPolarHBondContact CD1-O 3.35Å; E209-K211 VanDerWaalsContact C-N 3.28Å; E209-K211 PolarHBondContact O-N 2.78Å; K211-V216 HydrophobicContact CG-CG1 3.94Å; K211-V216 HydrophobicContact CG-CG2 4.02Å |
| 212 | E | 87.8 | Confident | 91.3 | Very high | 163 Ų | 163 | 62.2 Ų | 62.2 | 76% | 0.762 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -17.6 | 179.5 | -62.7 | -180 | 177.6 | 0 | 0 | 112.5 | E209 W210 | E209-E212 PolarHBondContact O-N 2.93Å; W210-E212 PolarHBondContact O-N 3.25Å; W210-E212 VanDerWaalsContact O-N 3.09Å |
| 213 | K | 90.4 | Very high | 91.3 | Very high | 85 Ų | 85 | 65.3 Ų | 65.3 | 37% | 0.37 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -34 | -171.3 | -63.3 | -179.8 | -177.2 | 172.9 | 0 | 113.8 | I186 V202 W210 | I186-K213 PolarHBondContact N-O 3.41Å; V202-K213 HydrophobicContact CG2-CB 4.25Å; V202-K213 HydrophobicContact CG2-CD 4.22Å; W210-K213 PolarHBondContact O-N 2.85Å |
| 214 | I | 94.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -136.9 | 156 | -173.7 | 63.2 | 163.2 | 0 | 0 | 0 | 112 | P157 V180 C184 V202 W210 V216 | P157-I214 HydrophobicContact CB-CD1 4.16Å; P157-I214 HydrophobicContact CG-CD1 4.25Å; V180-I214 HydrophobicContact CG1-CD1 4.46Å; V180-I214 HydrophobicContact CG2-CD1 4.16Å; V180-I214 HydrophobicContact CG2-CG2 3.86Å; C184-I214 CarbonylContact O-C 3.34Å; C184-I214 VanDerWaalsContact O-CA 3.28Å; C184-I214 WeakPolarHBondContact O-CA 3.42Å; C184-I214 WeakPolarHBondContact O-CB 3.32Å; V202-I214 HydrophobicContact CG1-CD1 3.99Å; V202-I214 HydrophobicContact CG1-CG2 4.4Å; V202-I214 HydrophobicContact CG2-CD1 4.47Å; V202-I214 HydrophobicContact CG2-CG1 4.45Å; V202-I214 HydrophobicContact CG2-CG2 4.28Å; W210-I214 HydrophobicContact CB-CD1 4.17Å; W210-I214 HydrophobicContact CB-CG1 3.94Å; W210-I214 HydrophobicContact CD2-CD1 4.48Å; W210-I214 HydrophobicContact CE3-CD1 4.43Å; W210-I214 HydrophobicContact CG-CD1 4.4Å; W210-I214 WeakPolarHBondContact O-CG1 3.42Å; W210-I214 PolarHBondContact O-N 3.22Å; I214-V216 HydrophobicContact CG1-CG1 4.45Å; I214-V216 PolarHBondContact O-N 2.96Å; I214-V216 VanDerWaalsContact O-N 3.17Å |
| 215 | F | 95 | Very high | 91.1 | Very high | 34 Ų | 34 | 68.9 Ų | 68.9 | 15% | 0.149 | 33% | 0.325 | C | S | . | . | trans | -68.1 | 109.5 | 168.1 | -59.3 | -60.2 | 0 | 0 | 0 | 109.6 | H150 C152 C184 C185 I186 K217 | H150-F215 VanDerWaalsContact C-CG 3.42Å; H150-F215 HydrophobicContact CB-CD1 3.77Å; H150-F215 HydrophobicContact CB-CD2 4.43Å; H150-F215 HydrophobicContact CB-CE1 3.58Å; H150-F215 HydrophobicContact CB-CE2 4.28Å; H150-F215 HydrophobicContact CB-CG 4.21Å; H150-F215 HydrophobicContact CB-CZ 3.85Å; H150-F215 AromaticContact CD2-CZ 3.76Å; H150-F215 AromaticContact CG-CE1 3.87Å; H150-F215 AromaticContact CG-CZ 3.85Å; H150-F215 WeakPolarHBondContact O-CB 3.23Å; H150-F215 WeakPolarHBondContact O-CG 3.4Å; C152-F215 WeakPolarHBondContact CB-O 3.43Å; C184-F215 VanDerWaalsContact O-CD2 3.23Å; C184-F215 WeakPolarHBondContact O-CD2 3.48Å; C184-F215 PolarHBondContact O-N 3.44Å; C185-F215 WeakPolarHBondContact O-CE2 3.34Å; I186-F215 HydrophobicContact CG1-CD1 3.94Å; I186-F215 HydrophobicContact CG1-CE1 3.81Å; I186-F215 HydrophobicContact CG1-CG 4.42Å; I186-F215 HydrophobicContact CG1-CZ 4.2Å; F215-K217 VanDerWaalsContact C-N 3.29Å; F215-K217 PolarHBondContact O-N 3.34Å | ||
| 216 | V | 94.2 | Very high | 91.2 | Very high | 53 Ų | 53 | 70.5 Ų | 70.5 | 32% | 0.321 | 33% | 0.328 | S | S | . | . | trans | -81.1 | -10 | -179.6 | -64.2 | 0 | 0 | 0 | 0 | 113.8 | P157 W210 K211 I214 | P157-V216 VanDerWaalsContact CD-O 3.28Å; P157-V216 WeakPolarHBondContact CD-O 3.29Å; W210-V216 HydrophobicContact CB-CG1 3.63Å; K211-V216 HydrophobicContact CG-CG1 3.94Å; K211-V216 HydrophobicContact CG-CG2 4.02Å; I214-V216 HydrophobicContact CG1-CG1 4.45Å; I214-V216 PolarHBondContact O-N 2.96Å; I214-V216 VanDerWaalsContact O-N 3.17Å | ||
| 217 | K | 95.2 | Very high | 91.2 | Very high | 60 Ų | 60 | 68.1 Ų | 68.1 | 26% | 0.261 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -85 | 129.8 | -178.1 | -169.8 | 178.4 | -178.7 | -168.5 | 0 | 110 | C151 C152 F215 P221 A222 E225 | C151-K217 CarbonylContact C-O 3.53Å; C151-K217 WeakPolarHBondContact CA-O 3.34Å; C151-K217 VanDerWaalsContact CB-O 3.3Å; C151-K217 WeakPolarHBondContact CB-O 3.47Å; C152-K217 PolarHBondContact N-O 2.93Å; F215-K217 VanDerWaalsContact C-N 3.29Å; F215-K217 PolarHBondContact O-N 3.34Å; K217-P221 VanDerWaalsContact CE-C 3.42Å; K217-P221 WeakPolarHBondContact CE-O 3.09Å; K217-P221 HydrophobicContact CG-CB 4.27Å; K217-P221 PolarHBondContact NZ-O 3Å; K217-A222 HydrophobicContact CD-CB 4.35Å; K217-E225 WeakPolarHBondContact CE-OE1 3.33Å; K217-E225 IonicContact NZ-OE1 2.88Å; K217-E225 PolarHBondContact NZ-OE1 3.25Å; K217-E225 IonicContact NZ-OE2 2.68Å; K217-E225 PolarHBondContact NZ-OE2 2.87Å |
| 218 | G | 94.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | trans | -65.4 | 155.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | C152 A154 Q155 I220 P221 A222 | C152-G218 WeakPolarHBondContact O-CA 3.17Å; A154-G218 CarbonylContact O-C 3.47Å; Q155-G218 VanDerWaalsContact C-CA 3.48Å; Q155-G218 WeakPolarHBondContact O-CA 3.46Å; Q155-G218 PolarHBondContact O-N 2.85Å; G218-I220 VanDerWaalsContact C-N 3.31Å; G218-I220 PolarHBondContact O-N 2.9Å; G218-P221 WeakPolarHBondContact O-CD 3.09Å; G218-A222 WeakPolarHBondContact O-CB 3.31Å; G218-A222 PolarHBondContact O-N 2.91Å | ||
| 219 | C | 94.6 | Very high | 91.5 | Very high | 9 Ų | 9 | 67.6 Ų | 67.6 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69 | -26.1 | -178.7 | -64.2 | 0 | 0 | 0 | 0 | 114 | F125 C151 G153 A154 A222 L223 | F125-C219 HydrophobicContact CE1-CB 3.98Å; F125-C219 HydrophobicContact CZ-CB 4.26Å; C151-C219 HydrophobicContact CB-CB 3.89Å; C151-C219 WeakPolarHBondContact CB-SG 3.33Å; C151-C219 WeakPolarHBondContact SG-CA 3.41Å; C151-C219 WeakPolarHBondContact SG-CB 3.38Å; C151-C219 CovalentContact SG-SG 2.04Å; C151-C219 PolarHBondContact SG-SG 3.48Å; G153-C219 WeakPolarHBondContact O-CB 3.32Å; G153-C219 PolarHBondContact O-N 3.33Å; G153-C219 VanDerWaalsContact O-N 3.11Å; G153-C219 PolarHBondContact O-SG 2.82Å; A154-C219 PolarHBondContact O-N 3.43Å; C219-A222 PolarHBondContact O-N 3.4Å; C219-L223 WeakPolarHBondContact O-CB 3.4Å; C219-L223 PolarHBondContact O-N 3.45Å |
| 220 | I | 93.1 | Very high | 91.7 | Very high | 5 Ų | 5 | 65.8 Ų | 65.8 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -73.2 | -51.2 | 176.4 | -63 | 156.5 | 0 | 0 | 0 | 110.7 | R118 I121 S122 A154 Q155 G218 A222 L223 E224 | R118-I220 HydrophobicContact CG-CG2 4.31Å; I121-I220 HydrophobicContact CG2-CG1 4.28Å; S122-I220 WeakPolarHBondContact OG-CD1 2.97Å; A154-I220 HydrophobicContact CB-CD1 3.85Å; A154-I220 WeakPolarHBondContact O-CB 3.48Å; A154-I220 WeakPolarHBondContact O-CD1 3.27Å; A154-I220 WeakPolarHBondContact O-CG1 3.45Å; A154-I220 PolarHBondContact O-N 2.87Å; Q155-I220 HydrophobicContact CG-CD1 4.37Å; G218-I220 VanDerWaalsContact C-N 3.31Å; G218-I220 PolarHBondContact O-N 2.9Å; I220-A222 PolarHBondContact O-N 2.88Å; I220-L223 WeakPolarHBondContact O-CB 3.33Å; I220-L223 PolarHBondContact O-N 2.87Å; I220-L223 VanDerWaalsContact O-N 3.1Å; I220-E224 WeakPolarHBondContact O-CG 3.18Å; I220-E224 PolarHBondContact O-N 3.42Å |
| 221 | P | 93.6 | Very high | 91.6 | Very high | 31 Ų | 31 | 69.7 Ų | 69.7 | 20% | 0.201 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.6 | -33.5 | 168.5 | -25.5 | 31.6 | 0 | 0 | 0 | 113.5 | K217 G218 E225 | K217-P221 VanDerWaalsContact CE-C 3.42Å; K217-P221 WeakPolarHBondContact CE-O 3.09Å; K217-P221 HydrophobicContact CG-CB 4.27Å; K217-P221 PolarHBondContact NZ-O 3Å; G218-P221 WeakPolarHBondContact O-CD 3.09Å; P221-E225 PolarHBondContact O-N 3.33Å |
| 222 | A | 93.1 | Very high | 91.8 | Very high | 10 Ų | 10 | 72.5 Ų | 72.5 | 8% | 0.083 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | C151 K217 G218 C219 I220 E225 W226 | C151-A222 HydrophobicContact CB-CB 3.93Å; K217-A222 HydrophobicContact CD-CB 4.35Å; G218-A222 WeakPolarHBondContact O-CB 3.31Å; G218-A222 PolarHBondContact O-N 2.91Å; C219-A222 PolarHBondContact O-N 3.4Å; I220-A222 PolarHBondContact O-N 2.88Å; A222-E225 PolarHBondContact O-N 3.46Å; A222-W226 VanDerWaalsContact O-CB 3.31Å; A222-W226 WeakPolarHBondContact O-CB 3.44Å; A222-W226 PolarHBondContact O-N 3.43Å |
| 223 | L | 90.3 | Very high | 92.1 | Very high | 68 Ų | 68 | 68.4 Ų | 68.4 | 36% | 0.356 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 175.9 | -178.4 | 62.3 | 0 | 0 | 0 | 112.3 | I121 C219 I220 E225 W226 L227 | I121-L223 HydrophobicContact CD1-CD2 4.27Å; C219-L223 WeakPolarHBondContact O-CB 3.4Å; C219-L223 PolarHBondContact O-N 3.45Å; I220-L223 WeakPolarHBondContact O-CB 3.33Å; I220-L223 PolarHBondContact O-N 2.87Å; I220-L223 VanDerWaalsContact O-N 3.1Å; L223-E225 VanDerWaalsContact C-N 3.29Å; L223-E225 PolarHBondContact O-N 3Å; L223-W226 HydrophobicContact CD1-CE3 4.24Å; L223-W226 PolarHBondContact O-N 3.36Å; L223-L227 WeakPolarHBondContact O-CB 3.39Å; L223-L227 PolarHBondContact O-N 2.96Å |
| 224 | E | 90.1 | Very high | 92.1 | Very high | 85 Ų | 85 | 67 Ų | 67 | 40% | 0.397 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63 | -32.7 | 178.7 | -73.8 | 175.3 | 170.1 | 0 | 0 | 113.1 | R118 I220 P228 | R118-E224 WeakPolarHBondContact CD-OE1 3.4Å; R118-E224 IonicContact CZ-OE1 3.66Å; R118-E224 IonicContact NE-OE1 2.66Å; R118-E224 PolarHBondContact NE-OE1 2.91Å; R118-E224 IonicContact NH2-OE1 3.84Å; I220-E224 WeakPolarHBondContact O-CG 3.18Å; I220-E224 PolarHBondContact O-N 3.42Å; E224-P228 WeakPolarHBondContact O-CD 3.44Å; E224-P228 WeakPolarHBondContact O-CG 3.21Å |
| 225 | E | 90.7 | Very high | 92 | Very high | 110 Ų | 110 | 69 Ų | 69 | 51% | 0.514 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -83.7 | -30.4 | 173 | -80.2 | -180 | -140.6 | 0 | 0 | 113.2 | K217 P221 A222 L223 | K217-E225 WeakPolarHBondContact CE-OE1 3.33Å; K217-E225 IonicContact NZ-OE1 2.88Å; K217-E225 PolarHBondContact NZ-OE1 3.25Å; K217-E225 IonicContact NZ-OE2 2.68Å; K217-E225 PolarHBondContact NZ-OE2 2.87Å; P221-E225 PolarHBondContact O-N 3.33Å; A222-E225 PolarHBondContact O-N 3.46Å; L223-E225 VanDerWaalsContact C-N 3.29Å; L223-E225 PolarHBondContact O-N 3Å |
| 226 | W | 89.5 | Confident | 92 | Very high | 107 Ų | 107 | 73.8 Ų | 73.8 | 41% | 0.405 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -70.2 | -41.1 | 179.3 | 180 | 93.5 | 0 | 0 | 0 | 111.7 | A222 L223 R229 N230 V234 | A222-W226 VanDerWaalsContact O-CB 3.31Å; A222-W226 WeakPolarHBondContact O-CB 3.44Å; A222-W226 PolarHBondContact O-N 3.43Å; L223-W226 HydrophobicContact CD1-CE3 4.24Å; L223-W226 PolarHBondContact O-N 3.36Å; W226-R229 PolarHBondContact O-N 2.95Å; W226-N230 VanDerWaalsContact CD1-ND2 3.25Å; W226-N230 HydrophobicContact CD2-CB 4.18Å; W226-N230 HydrophobicContact CE3-CB 4.44Å; W226-N230 HydrophobicContact CH2-CB 4.07Å; W226-N230 HydrophobicContact CZ2-CB 3.79Å; W226-N230 HydrophobicContact CZ3-CB 4.39Å; W226-N230 PolarHBondContact NE1-ND2 3.35Å; W226-N230 VanDerWaalsContact NE1-ND2 3.15Å; W226-N230 WeakPolarHBondContact O-CB 3.31Å; W226-N230 PolarHBondContact O-N 3.36Å; W226-N230 PolarHBondContact O-ND2 2.87Å; W226-V234 HydrophobicContact CH2-CG2 3.73Å; W226-V234 HydrophobicContact CZ3-CG2 3.84Å |
| 227 | L | 87 | Confident | 92 | Very high | 79 Ų | 79 | 75.7 Ų | 75.7 | 41% | 0.414 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.1 | -50.3 | -171.8 | -177.5 | 70.1 | 0 | 0 | 0 | 113.1 | L223 R229 N230 L231 V234 | L223-L227 WeakPolarHBondContact O-CB 3.39Å; L223-L227 PolarHBondContact O-N 2.96Å; L227-R229 VanDerWaalsContact C-N 3.28Å; L227-R229 PolarHBondContact O-N 3.21Å; L227-N230 CarbonylContact O-C 3.5Å; L227-N230 PolarHBondContact O-N 2.92Å; L227-L231 WeakPolarHBondContact O-CA 3.29Å; L227-L231 PolarHBondContact O-N 2.85Å; L227-V234 HydrophobicContact CD1-CG2 4.39Å |
| 228 | P | 88.1 | Confident | 91.9 | Very high | 90 Ų | 90 | 75.8 Ų | 75.8 | 58% | 0.584 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.5 | -34.7 | 177.1 | -21 | 33.1 | 0 | 0 | 0 | 112.6 | E224 N230 | E224-P228 WeakPolarHBondContact O-CD 3.44Å; E224-P228 WeakPolarHBondContact O-CG 3.21Å; P228-N230 VanDerWaalsContact C-N 3.34Å |
| 229 | R | 90.4 | Very high | 91.9 | Very high | 190 Ų | 190 | 80.2 Ų | 80.2 | 72% | 0.717 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -68 | -34.9 | 179.5 | -169.8 | -177.3 | -56.8 | -155.6 | 2.2 | 112.2 | W226 L227 | W226-R229 PolarHBondContact O-N 2.95Å; L227-R229 VanDerWaalsContact C-N 3.28Å; L227-R229 PolarHBondContact O-N 3.21Å |
| 230 | N | 92 | Very high | 92 | Very high | 41 Ų | 41 | 82.5 Ų | 82.5 | 22% | 0.219 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 14.8 | -177.1 | -64.2 | -82.2 | 0 | 0 | 0 | 112.9 | W226 L227 P228 Y232 T233 V234 | W226-N230 VanDerWaalsContact CD1-ND2 3.25Å; W226-N230 HydrophobicContact CD2-CB 4.18Å; W226-N230 HydrophobicContact CE3-CB 4.44Å; W226-N230 HydrophobicContact CH2-CB 4.07Å; W226-N230 HydrophobicContact CZ2-CB 3.79Å; W226-N230 HydrophobicContact CZ3-CB 4.39Å; W226-N230 PolarHBondContact NE1-ND2 3.35Å; W226-N230 VanDerWaalsContact NE1-ND2 3.15Å; W226-N230 WeakPolarHBondContact O-CB 3.31Å; W226-N230 PolarHBondContact O-N 3.36Å; W226-N230 PolarHBondContact O-ND2 2.87Å; L227-N230 CarbonylContact O-C 3.5Å; L227-N230 PolarHBondContact O-N 2.92Å; P228-N230 VanDerWaalsContact C-N 3.34Å; N230-Y232 PolarHBondContact O-N 3.34Å; N230-T233 WeakPolarHBondContact O-CB 3.31Å; N230-T233 PolarHBondContact O-N 3.34Å; N230-V234 PolarHBondContact O-N 2.93Å |
| 231 | L | 90.6 | Very high | 92.1 | Very high | 95 Ų | 95 | 85.6 Ų | 85.6 | 50% | 0.497 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -55.9 | -40.4 | -175.3 | -177.7 | 65.7 | 0 | 0 | 0 | 111.8 | L227 T233 V234 A235 | L227-L231 WeakPolarHBondContact O-CA 3.29Å; L227-L231 PolarHBondContact O-N 2.85Å; L231-T233 VanDerWaalsContact C-N 3.35Å; L231-T233 PolarHBondContact O-N 3.05Å; L231-V234 PolarHBondContact O-N 3.1Å; L231-A235 VanDerWaalsContact O-CB 3.24Å; L231-A235 WeakPolarHBondContact O-CB 3.32Å; L231-A235 PolarHBondContact O-N 3.01Å |
| 232 | Y | 92.6 | Very high | 92.2 | Very high | 206 Ų | 206 | 84.7 Ų | 84.7 | 81% | 0.808 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -62 | -40.5 | 176.6 | -67.4 | -67.4 | 0 | 0 | 0 | 112.6 | N230 F236 | N230-Y232 PolarHBondContact O-N 3.34Å; Y232-F236 VanDerWaalsContact O-CB 3.23Å; Y232-F236 WeakPolarHBondContact O-CB 3.48Å; Y232-F236 PolarHBondContact O-N 2.95Å |
| 233 | T | 93.1 | Very high | 92.3 | Very high | 76 Ų | 76 | 88.7 Ų | 88.7 | 47% | 0.466 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.2 | -45.7 | 177.3 | -52.5 | 0 | 0 | 0 | 0 | 111 | N230 L231 F236 I237 | N230-T233 WeakPolarHBondContact O-CB 3.31Å; N230-T233 PolarHBondContact O-N 3.34Å; L231-T233 VanDerWaalsContact C-N 3.35Å; L231-T233 PolarHBondContact O-N 3.05Å; T233-F236 PolarHBondContact O-N 3.39Å; T233-I237 HydrophobicContact CG2-CD1 4.31Å; T233-I237 WeakPolarHBondContact O-CG1 3.34Å; T233-I237 PolarHBondContact O-N 2.9Å |
| 234 | V | 91.9 | Very high | 92.5 | Very high | 56 Ų | 56 | 89 Ų | 89 | 34% | 0.339 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.5 | -46.4 | 178.3 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | W226 L227 N230 L231 F236 I237 F238 | W226-V234 HydrophobicContact CH2-CG2 3.73Å; W226-V234 HydrophobicContact CZ3-CG2 3.84Å; L227-V234 HydrophobicContact CD1-CG2 4.39Å; N230-V234 PolarHBondContact O-N 2.93Å; L231-V234 PolarHBondContact O-N 3.1Å; V234-F236 VanDerWaalsContact C-N 3.32Å; V234-F236 PolarHBondContact O-N 2.91Å; V234-I237 PolarHBondContact O-N 3.29Å; V234-F238 PolarHBondContact O-N 2.88Å |
| 235 | A | 91.9 | Very high | 92.8 | Very high | 42 Ų | 42 | 86 Ų | 86 | 35% | 0.347 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L231 F238 I239 | L231-A235 VanDerWaalsContact O-CB 3.24Å; L231-A235 WeakPolarHBondContact O-CB 3.32Å; L231-A235 PolarHBondContact O-N 3.01Å; A235-F238 PolarHBondContact O-N 3.2Å; A235-I239 VanDerWaalsContact O-CG1 3.26Å; A235-I239 WeakPolarHBondContact O-CG1 3.45Å; A235-I239 PolarHBondContact O-N 3.48Å |
| 236 | F | 94.2 | Very high | 93.1 | Very high | 136 Ų | 136 | 85.8 Ų | 85.8 | 60% | 0.596 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -60.7 | -47.1 | 176 | 175.9 | -100 | 0 | 0 | 0 | 112 | Y232 T233 V234 F238 I239 V240 | Y232-F236 VanDerWaalsContact O-CB 3.23Å; Y232-F236 WeakPolarHBondContact O-CB 3.48Å; Y232-F236 PolarHBondContact O-N 2.95Å; T233-F236 PolarHBondContact O-N 3.39Å; V234-F236 VanDerWaalsContact C-N 3.32Å; V234-F236 PolarHBondContact O-N 2.91Å; F236-F238 VanDerWaalsContact C-N 3.35Å; F236-F238 PolarHBondContact O-N 3.4Å; F236-I239 PolarHBondContact O-N 3.39Å; F236-V240 HydrophobicContact CD1-CG2 4.35Å; F236-V240 HydrophobicContact CD2-CG2 4.42Å; F236-V240 HydrophobicContact CE1-CG2 3.92Å; F236-V240 HydrophobicContact CE2-CG2 4Å; F236-V240 HydrophobicContact CZ-CG2 3.74Å; F236-V240 WeakPolarHBondContact O-CG2 3.22Å; F236-V240 PolarHBondContact O-N 3Å |
| 237 | I | 94.4 | Very high | 93.4 | Very high | 93 Ų | 93 | 84 Ų | 84 | 48% | 0.477 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.6 | -46.8 | 177.4 | -68.2 | 167.5 | 0 | 0 | 0 | 110.6 | T233 V234 I239 V240 I241 | T233-I237 HydrophobicContact CG2-CD1 4.31Å; T233-I237 WeakPolarHBondContact O-CG1 3.34Å; T233-I237 PolarHBondContact O-N 2.9Å; V234-I237 PolarHBondContact O-N 3.29Å; I237-I239 PolarHBondContact O-N 3.17Å; I237-V240 PolarHBondContact O-N 2.71Å; I237-I241 HydrophobicContact CG2-CD1 3.76Å; I237-I241 HydrophobicContact CG2-CG1 4.44Å; I237-I241 WeakPolarHBondContact O-CG1 3.39Å; I237-I241 PolarHBondContact O-N 3.33Å |
| 238 | F | 93.6 | Very high | 93.8 | Very high | 62 Ų | 62 | 80.2 Ų | 80.2 | 27% | 0.272 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58.9 | -44.8 | 178 | -177 | -92.6 | 0 | 0 | 0 | 112.3 | E103 A107 V234 A235 F236 I241 S242 | E103-F238 HydrophobicContact CG-CD2 4.12Å; E103-F238 HydrophobicContact CG-CE2 3.39Å; E103-F238 HydrophobicContact CG-CZ 4.05Å; E103-F238 WeakPolarHBondContact OE1-CD2 3.34Å; A107-F238 HydrophobicContact CB-CE2 3.67Å; A107-F238 HydrophobicContact CB-CZ 3.83Å; V234-F238 PolarHBondContact O-N 2.88Å; A235-F238 PolarHBondContact O-N 3.2Å; F236-F238 VanDerWaalsContact C-N 3.35Å; F236-F238 PolarHBondContact O-N 3.4Å; F238-I241 PolarHBondContact O-N 3.29Å; F238-S242 VanDerWaalsContact O-CB 3.31Å; F238-S242 WeakPolarHBondContact O-CB 3.23Å; F238-S242 PolarHBondContact O-N 3.12Å; F238-S242 PolarHBondContact O-OG 3.42Å |
| 239 | I | 95.1 | Very high | 94.2 | Very high | 94 Ų | 94 | 77.9 Ų | 77.9 | 48% | 0.482 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 177.3 | -70 | 165.7 | 0 | 0 | 0 | 110.8 | A235 F236 I237 S242 L243 | A235-I239 VanDerWaalsContact O-CG1 3.26Å; A235-I239 WeakPolarHBondContact O-CG1 3.45Å; A235-I239 PolarHBondContact O-N 3.48Å; F236-I239 PolarHBondContact O-N 3.39Å; I237-I239 PolarHBondContact O-N 3.17Å; I239-S242 PolarHBondContact O-N 2.96Å; I239-L243 HydrophobicContact CG2-CD1 3.83Å; I239-L243 HydrophobicContact CG2-CG 4.24Å; I239-L243 WeakPolarHBondContact O-CB 3.41Å; I239-L243 VanDerWaalsContact O-CG 3.25Å; I239-L243 WeakPolarHBondContact O-CG 3.49Å; I239-L243 PolarHBondContact O-N 3.4Å |
| 240 | V | 96.1 | Very high | 94.5 | Very high | 57 Ų | 57 | 75.3 Ų | 75.3 | 35% | 0.345 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 178.5 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | F236 I237 L243 L244 | F236-V240 HydrophobicContact CD1-CG2 4.35Å; F236-V240 HydrophobicContact CD2-CG2 4.42Å; F236-V240 HydrophobicContact CE1-CG2 3.92Å; F236-V240 HydrophobicContact CE2-CG2 4Å; F236-V240 HydrophobicContact CZ-CG2 3.74Å; F236-V240 WeakPolarHBondContact O-CG2 3.22Å; F236-V240 PolarHBondContact O-N 3Å; I237-V240 PolarHBondContact O-N 2.71Å; V240-L243 PolarHBondContact O-N 2.71Å; V240-L244 HydrophobicContact CG1-CD1 4.16Å; V240-L244 WeakPolarHBondContact O-CG 3.36Å; V240-L244 PolarHBondContact O-N 3.48Å |
| 241 | I | 94.8 | Very high | 94.6 | Very high | 69 Ų | 69 | 74.1 Ų | 74.1 | 35% | 0.354 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.9 | -47.8 | 177.5 | -66.8 | 169.5 | 0 | 0 | 0 | 110.6 | E103 I237 F238 L243 L244 Q245 | E103-I241 WeakPolarHBondContact OE1-CG2 3.29Å; E103-I241 WeakPolarHBondContact OE2-CG2 3.32Å; I237-I241 HydrophobicContact CG2-CD1 3.76Å; I237-I241 HydrophobicContact CG2-CG1 4.44Å; I237-I241 WeakPolarHBondContact O-CG1 3.39Å; I237-I241 PolarHBondContact O-N 3.33Å; F238-I241 PolarHBondContact O-N 3.29Å; I241-L243 VanDerWaalsContact C-N 3.33Å; I241-L243 PolarHBondContact O-N 3.32Å; I241-L244 PolarHBondContact O-N 2.95Å; I241-Q245 WeakPolarHBondContact O-CG 3.37Å; I241-Q245 PolarHBondContact O-N 2.98Å |
| 242 | S | 95.8 | Very high | 94.9 | Very high | 13 Ų | 13 | 69.6 Ų | 69.6 | 9% | 0.091 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.2 | -44.2 | 176.7 | -72 | 0 | 0 | 0 | 0 | 112.3 | F238 I239 Q245 M246 | F238-S242 VanDerWaalsContact O-CB 3.31Å; F238-S242 WeakPolarHBondContact O-CB 3.23Å; F238-S242 PolarHBondContact O-N 3.12Å; F238-S242 PolarHBondContact O-OG 3.42Å; I239-S242 PolarHBondContact O-N 2.96Å; S242-Q245 PolarHBondContact O-N 3.35Å; S242-M246 WeakPolarHBondContact O-CG 3.42Å; S242-M246 PolarHBondContact O-N 2.92Å |
| 243 | L | 95.8 | Very high | 95 | Very high | 94 Ų | 94 | 65.9 Ų | 65.9 | 49% | 0.492 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.5 | -42 | 177.8 | -74.5 | 174.1 | 0 | 0 | 0 | 112 | I239 V240 I241 Q245 M246 V247 | I239-L243 HydrophobicContact CG2-CD1 3.83Å; I239-L243 HydrophobicContact CG2-CG 4.24Å; I239-L243 WeakPolarHBondContact O-CB 3.41Å; I239-L243 VanDerWaalsContact O-CG 3.25Å; I239-L243 WeakPolarHBondContact O-CG 3.49Å; I239-L243 PolarHBondContact O-N 3.4Å; V240-L243 PolarHBondContact O-N 2.71Å; I241-L243 VanDerWaalsContact C-N 3.33Å; I241-L243 PolarHBondContact O-N 3.32Å; L243-Q245 VanDerWaalsContact C-N 3.34Å; L243-Q245 PolarHBondContact O-N 2.85Å; L243-M246 PolarHBondContact O-N 3.12Å; L243-V247 WeakPolarHBondContact O-CG2 3.33Å; L243-V247 PolarHBondContact O-N 3.42Å |
| 244 | L | 95.1 | Very high | 95 | Very high | 75 Ų | 75 | 63.6 Ų | 63.6 | 39% | 0.393 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.8 | -45.2 | 176.1 | -73 | 171 | 0 | 0 | 0 | 111.3 | Y20 V240 I241 M246 V247 G248 | Y20-L244 HydrophobicContact CE2-CD2 4.34Å; Y20-L244 PolarHBondContact OH-O 3.44Å; V240-L244 HydrophobicContact CG1-CD1 4.16Å; V240-L244 WeakPolarHBondContact O-CG 3.36Å; V240-L244 PolarHBondContact O-N 3.48Å; I241-L244 PolarHBondContact O-N 2.95Å; L244-M246 PolarHBondContact O-N 3.13Å; L244-V247 PolarHBondContact O-N 3.1Å; L244-G248 PolarHBondContact O-N 3.29Å |
| 245 | Q | 96.4 | Very high | 95.1 | Very high | 22 Ų | 22 | 60.9 Ų | 60.9 | 10% | 0.103 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 175.6 | -68.6 | 174.4 | 4.1 | 0 | 0 | 111.9 | I96 F100 E103 I241 S242 L243 V247 G248 I249 | I96-Q245 HydrophobicContact CG2-CB 3.74Å; I96-Q245 HydrophobicContact CG2-CG 4.05Å; F100-Q245 VanDerWaalsContact CA-OE1 3.22Å; F100-Q245 VanDerWaalsContact CD2-OE1 3.28Å; E103-Q245 PolarHBondContact OE2-NE2 2.93Å; E103-Q245 PolarHBondContact OE2-OE1 3.38Å; I241-Q245 WeakPolarHBondContact O-CG 3.37Å; I241-Q245 PolarHBondContact O-N 2.98Å; S242-Q245 PolarHBondContact O-N 3.35Å; L243-Q245 VanDerWaalsContact C-N 3.34Å; L243-Q245 PolarHBondContact O-N 2.85Å; Q245-V247 PolarHBondContact O-N 3.39Å; Q245-G248 PolarHBondContact O-N 3.37Å; Q245-I249 WeakPolarHBondContact O-CG1 3.08Å; Q245-I249 PolarHBondContact O-N 2.88Å |
| 246 | M | 96.3 | Very high | 95.2 | Very high | 105 Ų | 105 | 59.2 Ų | 59.2 | 52% | 0.517 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 175.7 | -77.9 | 177.4 | 60.1 | 0 | 0 | 112.4 | S242 L243 L244 I249 Y250 | S242-M246 WeakPolarHBondContact O-CG 3.42Å; S242-M246 PolarHBondContact O-N 2.92Å; L243-M246 PolarHBondContact O-N 3.12Å; L244-M246 PolarHBondContact O-N 3.13Å; M246-I249 PolarHBondContact O-N 3.01Å; M246-Y250 WeakPolarHBondContact O-CB 3.49Å; M246-Y250 PolarHBondContact O-N 3.44Å |
| 247 | V | 95.7 | Very high | 95.1 | Very high | 69 Ų | 69 | 54.7 Ų | 54.7 | 42% | 0.418 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.9 | -45 | 175.3 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | L243 L244 Q245 I249 Y250 L251 | L243-V247 WeakPolarHBondContact O-CG2 3.33Å; L243-V247 PolarHBondContact O-N 3.42Å; L244-V247 PolarHBondContact O-N 3.1Å; Q245-V247 PolarHBondContact O-N 3.39Å; V247-I249 VanDerWaalsContact C-N 3.35Å; V247-I249 PolarHBondContact O-N 3.48Å; V247-Y250 PolarHBondContact O-N 3.49Å; V247-L251 HydrophobicContact CG1-CD1 3.81Å; V247-L251 HydrophobicContact CG1-CG 4.15Å; V247-L251 WeakPolarHBondContact O-CB 3.33Å; V247-L251 WeakPolarHBondContact O-CG 3.19Å; V247-L251 PolarHBondContact O-N 2.91Å |
| 248 | G | 95.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.3 | -44.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L244 Q245 A252 | L244-G248 PolarHBondContact O-N 3.29Å; Q245-G248 PolarHBondContact O-N 3.37Å; G248-A252 VanDerWaalsContact O-CB 3.32Å; G248-A252 WeakPolarHBondContact O-CB 3.47Å; G248-A252 PolarHBondContact O-N 3.47Å |
| 249 | I | 96.7 | Very high | 94.7 | Very high | 41 Ų | 41 | 49 Ų | 49 | 21% | 0.21 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.8 | -47.5 | 175.7 | -65.9 | 165.6 | 0 | 0 | 0 | 110.6 | I96 Q245 M246 V247 A252 R253 | I96-I249 HydrophobicContact CB-CG1 4.22Å; I96-I249 HydrophobicContact CG2-CD1 3.92Å; I96-I249 HydrophobicContact CG2-CG1 3.74Å; Q245-I249 WeakPolarHBondContact O-CG1 3.08Å; Q245-I249 PolarHBondContact O-N 2.88Å; M246-I249 PolarHBondContact O-N 3.01Å; V247-I249 VanDerWaalsContact C-N 3.35Å; V247-I249 PolarHBondContact O-N 3.48Å; I249-A252 PolarHBondContact O-N 3.31Å; I249-R253 HydrophobicContact CG2-CG 4.12Å; I249-R253 WeakPolarHBondContact O-CB 3.39Å; I249-R253 VanDerWaalsContact O-CG 3.23Å; I249-R253 WeakPolarHBondContact O-CG 3.33Å; I249-R253 PolarHBondContact O-N 2.97Å |
| 250 | Y | 96.1 | Very high | 94.5 | Very high | 136 Ų | 136 | 47.4 Ų | 47.4 | 53% | 0.533 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59 | -49.4 | -179.7 | 173.5 | -98.9 | 0 | 0 | 0 | 111.7 | M246 V247 A252 R253 T254 | M246-Y250 WeakPolarHBondContact O-CB 3.49Å; M246-Y250 PolarHBondContact O-N 3.44Å; V247-Y250 PolarHBondContact O-N 3.49Å; Y250-A252 PolarHBondContact O-N 3.22Å; Y250-R253 PolarHBondContact O-N 2.96Å; Y250-T254 WeakPolarHBondContact O-CB 3.39Å; Y250-T254 PolarHBondContact O-N 3.48Å; Y250-T254 PolarHBondContact O-OG1 3.38Å |
| 251 | L | 95.2 | Very high | 94.1 | Very high | 15 Ų | 15 | 49.1 Ų | 49.1 | 8% | 0.079 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.8 | -44.8 | 178.1 | -70.4 | 176 | 0 | 0 | 0 | 111.5 | Y13 M17 V247 L255 | Y13-L251 HydrophobicContact CD1-CD2 3.99Å; M17-L251 HydrophobicContact SD-CB 3.8Å; V247-L251 HydrophobicContact CG1-CD1 3.81Å; V247-L251 HydrophobicContact CG1-CG 4.15Å; V247-L251 WeakPolarHBondContact O-CB 3.33Å; V247-L251 WeakPolarHBondContact O-CG 3.19Å; V247-L251 PolarHBondContact O-N 2.91Å; L251-L255 VanDerWaalsContact O-CB 3.29Å; L251-L255 WeakPolarHBondContact O-CB 3.36Å; L251-L255 PolarHBondContact O-N 2.97Å |
| 252 | A | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63 | -43.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | M17 F92 G248 I249 Y250 L255 I256 | M17-A252 HydrophobicContact CE-CB 3.93Å; F92-A252 HydrophobicContact CD1-CB 3.9Å; F92-A252 HydrophobicContact CE1-CB 4.14Å; G248-A252 VanDerWaalsContact O-CB 3.32Å; G248-A252 WeakPolarHBondContact O-CB 3.47Å; G248-A252 PolarHBondContact O-N 3.47Å; I249-A252 PolarHBondContact O-N 3.31Å; Y250-A252 PolarHBondContact O-N 3.22Å; A252-L255 PolarHBondContact O-N 3.32Å; A252-I256 WeakPolarHBondContact O-CB 3.36Å; A252-I256 WeakPolarHBondContact O-CD1 3.48Å; A252-I256 WeakPolarHBondContact O-CG1 3.17Å; A252-I256 PolarHBondContact O-N 2.91Å |
| 253 | R | 95 | Very high | 93 | Very high | 128 Ų | 128 | 55.4 Ų | 55.4 | 48% | 0.483 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68.5 | -42.4 | 180 | -68.9 | -67.4 | -178.7 | 174.1 | -0.6 | 112.3 | I249 Y250 I256 A257 | I249-R253 HydrophobicContact CG2-CG 4.12Å; I249-R253 WeakPolarHBondContact O-CB 3.39Å; I249-R253 VanDerWaalsContact O-CG 3.23Å; I249-R253 WeakPolarHBondContact O-CG 3.33Å; I249-R253 PolarHBondContact O-N 2.97Å; Y250-R253 PolarHBondContact O-N 2.96Å; R253-I256 PolarHBondContact O-N 3.33Å; R253-A257 WeakPolarHBondContact O-CB 3.32Å; R253-A257 PolarHBondContact O-N 3.32Å |
| 254 | T | 93.8 | Very high | 92.2 | Very high | 28 Ų | 28 | 58.9 Ų | 58.9 | 17% | 0.172 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.2 | -46 | 174.7 | -61.6 | 0 | 0 | 0 | 0 | 110.6 | Y13 Y250 I256 A257 D258 | Y13-T254 HydrophobicContact CD1-CG2 4.42Å; Y13-T254 HydrophobicContact CD2-CG2 3.98Å; Y13-T254 HydrophobicContact CE1-CG2 4.4Å; Y13-T254 HydrophobicContact CE2-CG2 3.99Å; Y13-T254 HydrophobicContact CG-CG2 4.24Å; Y250-T254 WeakPolarHBondContact O-CB 3.39Å; Y250-T254 PolarHBondContact O-N 3.48Å; Y250-T254 PolarHBondContact O-OG1 3.38Å; T254-I256 PolarHBondContact O-N 3.32Å; T254-A257 PolarHBondContact O-N 2.98Å; T254-D258 PolarHBondContact O-N 3.24Å |
| 255 | L | 93.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 178 | -173 | 60.1 | 0 | 0 | 0 | 112.3 | V9 K14 M17 A81 L89 L251 A252 A257 D258 I259 | V9-L255 HydrophobicContact CG1-CD1 3.63Å; K14-L255 HydrophobicContact CB-CD1 4.48Å; M17-L255 HydrophobicContact CB-CD2 4.37Å; M17-L255 HydrophobicContact CG-CD2 4.23Å; A81-L255 HydrophobicContact CB-CD2 3.89Å; L89-L255 HydrophobicContact CD1-CB 4.47Å; L89-L255 HydrophobicContact CD1-CD2 3.93Å; L89-L255 HydrophobicContact CD1-CG 4.03Å; L89-L255 HydrophobicContact CD2-CD2 4.28Å; L251-L255 VanDerWaalsContact O-CB 3.29Å; L251-L255 WeakPolarHBondContact O-CB 3.36Å; L251-L255 PolarHBondContact O-N 2.97Å; A252-L255 PolarHBondContact O-N 3.32Å; L255-A257 VanDerWaalsContact C-N 3.34Å; L255-A257 PolarHBondContact O-N 3.2Å; L255-D258 PolarHBondContact O-N 2.9Å; L255-I259 HydrophobicContact CD1-CD1 4.33Å; L255-I259 HydrophobicContact CD1-CG1 4.47Å; L255-I259 HydrophobicContact CG-CD1 3.94Å; L255-I259 WeakPolarHBondContact O-CD1 3.24Å; L255-I259 WeakPolarHBondContact O-CG1 3.32Å; L255-I259 PolarHBondContact O-N 2.87Å |
| 256 | I | 94.4 | Very high | 88.7 | Confident | 7 Ų | 7 | 66.2 Ų | 66.2 | 4% | 0.036 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.7 | -47.1 | 173 | -71.4 | 160 | 0 | 0 | 0 | 110.7 | I86 L89 K90 A252 R253 T254 D258 I259 E260 | I86-I256 HydrophobicContact CG2-CG2 4.07Å; L89-I256 HydrophobicContact CB-CD1 3.72Å; L89-I256 HydrophobicContact CB-CG1 3.55Å; L89-I256 HydrophobicContact CD1-CG1 4Å; L89-I256 HydrophobicContact CG-CG1 4.43Å; K90-I256 HydrophobicContact CG-CD1 3.81Å; A252-I256 WeakPolarHBondContact O-CB 3.36Å; A252-I256 WeakPolarHBondContact O-CD1 3.48Å; A252-I256 WeakPolarHBondContact O-CG1 3.17Å; A252-I256 PolarHBondContact O-N 2.91Å; R253-I256 PolarHBondContact O-N 3.33Å; T254-I256 PolarHBondContact O-N 3.32Å; I256-D258 VanDerWaalsContact C-N 3.32Å; I256-D258 PolarHBondContact O-N 3.36Å; I256-I259 PolarHBondContact O-N 3.42Å; I256-E260 HydrophobicContact CG2-CG 4.28Å; I256-E260 WeakPolarHBondContact O-CB 3.49Å; I256-E260 WeakPolarHBondContact O-CG 3.41Å; I256-E260 PolarHBondContact O-N 2.89Å |
| 257 | A | 92.2 | Very high | 88.3 | Confident | 40 Ų | 40 | 64.3 Ų | 64.3 | 33% | 0.331 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.1 | -39.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R253 T254 L255 K261 | R253-A257 WeakPolarHBondContact O-CB 3.32Å; R253-A257 PolarHBondContact O-N 3.32Å; T254-A257 PolarHBondContact O-N 2.98Å; L255-A257 VanDerWaalsContact C-N 3.34Å; L255-A257 PolarHBondContact O-N 3.2Å; A257-K261 VanDerWaalsContact O-CG 3.27Å; A257-K261 WeakPolarHBondContact O-CG 3.03Å; A257-K261 PolarHBondContact O-N 3.43Å |
| 258 | D | 90.3 | Very high | 87.9 | Confident | 24 Ų | 24 | 64.1 Ų | 64.1 | 13% | 0.128 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.1 | -45.7 | 175.7 | -74.1 | -7.7 | 0 | 0 | 0 | 111.4 | T254 L255 I256 E260 K261 V262 | T254-D258 PolarHBondContact O-N 3.24Å; L255-D258 PolarHBondContact O-N 2.9Å; I256-D258 VanDerWaalsContact C-N 3.32Å; I256-D258 PolarHBondContact O-N 3.36Å; D258-E260 VanDerWaalsContact C-N 3.34Å; D258-E260 PolarHBondContact O-N 3.23Å; D258-K261 WeakPolarHBondContact O-CB 3.34Å; D258-K261 PolarHBondContact O-N 3.23Å; D258-K261 IonicContact OD1-NZ 3.48Å; D258-K261 PolarHBondContact OD1-NZ 3.06Å; D258-V262 WeakPolarHBondContact O-CG2 3.27Å; D258-V262 PolarHBondContact O-N 2.96Å |
| 259 | I | 89.9 | Confident | 87.5 | Confident | 13 Ų | 13 | 67.6 Ų | 67.6 | 7% | 0.067 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 176.4 | -61.9 | 160.3 | 0 | 0 | 0 | 111 | V9 E84 I86 L89 L255 I256 V262 R263 | V9-I259 HydrophobicContact CG2-CG1 4.12Å; E84-I259 HydrophobicContact CB-CD1 3.78Å; E84-I259 HydrophobicContact CB-CG1 4.03Å; E84-I259 HydrophobicContact CB-CG2 4.4Å; E84-I259 HydrophobicContact CG-CD1 4.14Å; E84-I259 HydrophobicContact CG-CG1 4.21Å; I86-I259 HydrophobicContact CD1-CB 4.47Å; I86-I259 HydrophobicContact CD1-CG2 3.83Å; I86-I259 HydrophobicContact CG1-CB 4.25Å; I86-I259 HydrophobicContact CG1-CG2 3.8Å; L89-I259 HydrophobicContact CD1-CD1 3.73Å; L255-I259 HydrophobicContact CD1-CD1 4.33Å; L255-I259 HydrophobicContact CD1-CG1 4.47Å; L255-I259 HydrophobicContact CG-CD1 3.94Å; L255-I259 WeakPolarHBondContact O-CD1 3.24Å; L255-I259 WeakPolarHBondContact O-CG1 3.32Å; L255-I259 PolarHBondContact O-N 2.87Å; I256-I259 PolarHBondContact O-N 3.42Å; I259-V262 PolarHBondContact O-N 3.43Å; I259-R263 WeakPolarHBondContact O-CB 3.4Å; I259-R263 PolarHBondContact O-N 2.96Å |
| 260 | E | 90.6 | Very high | 87 | Confident | 59 Ų | 59 | 69.2 Ų | 69.2 | 28% | 0.276 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 176.7 | -75.4 | 177.7 | 172.7 | 0 | 0 | 110.9 | I86 K90 I256 D258 V262 R263 F264 | I86-E260 HydrophobicContact CD1-CG 3.71Å; K90-E260 IonicContact NZ-OE1 2.91Å; K90-E260 PolarHBondContact NZ-OE1 3.5Å; I256-E260 HydrophobicContact CG2-CG 4.28Å; I256-E260 WeakPolarHBondContact O-CB 3.49Å; I256-E260 WeakPolarHBondContact O-CG 3.41Å; I256-E260 PolarHBondContact O-N 2.89Å; D258-E260 VanDerWaalsContact C-N 3.34Å; D258-E260 PolarHBondContact O-N 3.23Å; E260-V262 PolarHBondContact O-N 3.34Å; E260-R263 PolarHBondContact O-N 2.87Å; E260-F264 HydrophobicContact CB-CD2 4.25Å; E260-F264 HydrophobicContact CB-CE2 4.17Å; E260-F264 HydrophobicContact CG-CE2 4.46Å; E260-F264 WeakPolarHBondContact O-CD2 3.36Å; E260-F264 PolarHBondContact O-N 3.15Å |
| 261 | K | 87.8 | Confident | 86.4 | Confident | 93 Ų | 93 | 65 Ų | 65 | 40% | 0.404 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58 | -48.4 | 175.2 | -75.1 | 169.5 | -168.7 | 164.2 | 0 | 112.4 | A7 A257 D258 R263 F264 S265 | A7-K261 HydrophobicContact CB-CB 4.34Å; A257-K261 VanDerWaalsContact O-CG 3.27Å; A257-K261 WeakPolarHBondContact O-CG 3.03Å; A257-K261 PolarHBondContact O-N 3.43Å; D258-K261 WeakPolarHBondContact O-CB 3.34Å; D258-K261 PolarHBondContact O-N 3.23Å; D258-K261 IonicContact OD1-NZ 3.48Å; D258-K261 PolarHBondContact OD1-NZ 3.06Å; K261-R263 VanDerWaalsContact C-N 3.29Å; K261-R263 PolarHBondContact O-N 2.91Å; K261-F264 PolarHBondContact O-N 2.98Å; K261-S265 WeakPolarHBondContact O-CB 3.4Å; K261-S265 PolarHBondContact O-N 3.47Å; K261-S265 PolarHBondContact O-OG 3.15Å |
| 262 | V | 85 | Confident | 85.8 | Confident | 36 Ų | 36 | 68.3 Ų | 68.3 | 22% | 0.218 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.2 | -39.9 | 178.4 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | A7 V9 D258 I259 E260 F264 S265 | A7-V262 HydrophobicContact CB-CG2 4.17Å; A7-V262 VanDerWaalsContact O-CG2 3.24Å; A7-V262 WeakPolarHBondContact O-CG2 3.32Å; V9-V262 HydrophobicContact CG2-CG2 3.8Å; D258-V262 WeakPolarHBondContact O-CG2 3.27Å; D258-V262 PolarHBondContact O-N 2.96Å; I259-V262 PolarHBondContact O-N 3.43Å; E260-V262 PolarHBondContact O-N 3.34Å; V262-F264 PolarHBondContact O-N 2.96Å; V262-S265 WeakPolarHBondContact CA-OG 3.43Å; V262-S265 PolarHBondContact O-OG 3.26Å |
| 263 | R | 82.9 | Confident | 85.1 | Confident | 179 Ų | 179 | 73.2 Ų | 73.2 | 68% | 0.675 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -68.5 | -33.3 | -179.8 | -171.1 | 176.6 | -176.4 | 176.3 | 2.1 | 113.3 | I259 E260 K261 | I259-R263 WeakPolarHBondContact O-CB 3.4Å; I259-R263 PolarHBondContact O-N 2.96Å; E260-R263 PolarHBondContact O-N 2.87Å; K261-R263 VanDerWaalsContact C-N 3.29Å; K261-R263 PolarHBondContact O-N 2.91Å |
| 264 | F | 77.6 | Confident | 84.4 | Confident | 167 Ų | 167 | 69 Ų | 69 | 73% | 0.732 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -93.3 | -9.7 | 179.5 | -68.7 | -63.8 | 0 | 0 | 0 | 113.9 | E260 K261 V262 | E260-F264 HydrophobicContact CB-CD2 4.25Å; E260-F264 HydrophobicContact CB-CE2 4.17Å; E260-F264 HydrophobicContact CG-CE2 4.46Å; E260-F264 WeakPolarHBondContact O-CD2 3.36Å; E260-F264 PolarHBondContact O-N 3.15Å; K261-F264 PolarHBondContact O-N 2.98Å; V262-F264 PolarHBondContact O-N 2.96Å |
| 265 | S | 65.9 | Low | 83.6 | Confident | 38 Ų | 38 | 72.4 Ų | 72.4 | 27% | 0.266 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -79.3 | -20 | 172.2 | 55.9 | 0 | 0 | 0 | 0 | 113.6 | K261 V262 | K261-S265 WeakPolarHBondContact O-CB 3.4Å; K261-S265 PolarHBondContact O-N 3.47Å; K261-S265 PolarHBondContact O-OG 3.15Å; V262-S265 WeakPolarHBondContact CA-OG 3.43Å; V262-S265 PolarHBondContact O-OG 3.26Å |
| 266 | H | 52.9 | Low | 82.7 | Confident | 213 Ų | 213 | 79 Ų | 79 | 99% | 0.986 | 37% | 0.374 | S | S | * | . | trans | -94.6 | 0 | 171.2 | -80.7 | -65 | 0 | 0 | 0 | 111.4 |
Retrieved 266 of 266 residues in 204.8 ms
(Link to these results)