| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.1 | Very low | 72.4 | Confident | 241 Ų | 241 | 80.7 Ų | 80.7 | 100% | 1.187 | 46% | 0.458 | S | S | * | . | 0 | 130 | 0 | -81.5 | -179.5 | 157.9 | 0 | 0 | 107.3 | A3 | M1-A3 PolarHBondContact O-N 3.48Š| |||
| 2 | A | 39.1 | Very low | 74.3 | Confident | 43 Ų | 43 | 86 Ų | 86 | 36% | 0.355 | 48% | 0.476 | S | S | . | . | trans | -58 | 133.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | I4 A89 | A2-I4 PolarHBondContact O-N 3.5Å; A2-A89 HydrophobicContact CB-CB 4.07Å | ||
| 3 | A | 46.2 | Very low | 76 | Confident | 69 Ų | 69 | 81.1 Ų | 81.1 | 57% | 0.57 | 45% | 0.453 | S | S | * | . | trans | -64.9 | 103.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | M1 G5 | M1-A3 PolarHBondContact O-N 3.48Å; A3-G5 PolarHBondContact O-N 3.07Å; A3-G5 VanDerWaalsContact O-N 3.07Å | ||
| 4 | I | 54.4 | Low | 77.3 | Confident | 115 Ų | 115 | 85.4 Ų | 85.4 | 59% | 0.59 | 48% | 0.483 | S | S | * | . | trans | -64.3 | 108.7 | 160.5 | -61.6 | 174 | 0 | 0 | 0 | 104.2 | A2 | A2-I4 PolarHBondContact O-N 3.5Š| ||
| 5 | G | 62.7 | Low | 78.4 | Confident | 19 Ų | 19 | 85.3 Ų | 85.3 | 20% | 0.196 | 51% | 0.508 | C | S | . | . | trans | -74.5 | 147.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | A3 R7 E280 I281 | A3-G5 PolarHBondContact O-N 3.07Å; A3-G5 VanDerWaalsContact O-N 3.07Å; G5-R7 PolarHBondContact O-N 3.12Å; G5-E280 PolarHBondContact N-O 3.36Å; G5-I281 WeakPolarHBondContact CA-O 3.31Å | ||
| 6 | N | 80.4 | Confident | 79.6 | Confident | 153 Ų | 153 | 82.1 Ų | 82.1 | 82% | 0.818 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | 7.7 | 175.3 | 62.3 | -16 | 0 | 0 | 0 | 112.9 | ||
| 7 | R | 94 | Very high | 80.7 | Confident | 98 Ų | 98 | 82.5 Ų | 82.5 | 37% | 0.37 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.4 | 20.2 | -175.6 | -59.5 | -67.6 | -68.8 | 159.8 | 1.7 | 112.3 | G5 I281 D282 M283 L284 D285 | G5-R7 PolarHBondContact O-N 3.12Å; R7-I281 CarbonylContact C-O 3.26Å; R7-I281 VanDerWaalsContact C-O 3.26Å; R7-I281 PolarHBondContact N-O 2.75Å; R7-D282 CarbonylContact O-C 3.43Å; R7-M283 PolarHBondContact O-N 3.37Å; R7-L284 VanDerWaalsContact O-CB 3.28Å; R7-L284 WeakPolarHBondContact O-CB 3.21Å; R7-L284 WeakPolarHBondContact O-CG 3.39Å; R7-L284 PolarHBondContact O-N 2.95Å; R7-D285 WeakPolarHBondContact CG-OD2 3.42Å; R7-D285 IonicContact CZ-OD1 2.71Å; R7-D285 VanDerWaalsContact CZ-OD1 3.3Å; R7-D285 IonicContact NE-OD1 3.2Å; R7-D285 PolarHBondContact NE-OD1 2.84Å; R7-D285 IonicContact NE-OD2 3.59Å; R7-D285 IonicContact NH2-OD1 3.89Å; R7-D285 PolarHBondContact NH2-OD1 3.35Å |
| 8 | G | 95.8 | Very high | 81.7 | Confident | 8 Ų | 8 | 78.6 Ų | 78.6 | 8% | 0.082 | 46% | 0.464 | C | S | . | . | trans | -73.2 | 157.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A279 I281 | G8-A279 CarbonylContact C-O 3.4Å; G8-A279 WeakPolarHBondContact CA-O 3.3Å; G8-I281 PolarHBondContact N-O 2.86Å | ||
| 9 | T | 97.3 | Very high | 82.5 | Confident | 32 Ų | 32 | 76.5 Ų | 76.5 | 20% | 0.196 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -91.6 | -25.9 | 171.4 | 42.5 | 0 | 0 | 0 | 0 | 112 | A279 M283 L284 K287 L317 C318 | T9-A279 PolarHBondContact N-O 3.17Å; T9-A279 PolarHBondContact OG1-O 3.05Å; T9-M283 HydrophobicContact CG2-CB 3.81Å; T9-M283 HydrophobicContact CG2-CG 3.64Å; T9-M283 WeakPolarHBondContact OG1-CB 3.4Å; T9-M283 WeakPolarHBondContact OG1-CG 3.48Å; T9-L284 HydrophobicContact CG2-CD2 3.63Å; T9-L284 HydrophobicContact CG2-CG 4.08Å; T9-K287 HydrophobicContact CG2-CD 4.22Å; T9-L317 WeakPolarHBondContact CB-O 3.48Å; T9-L317 PolarHBondContact OG1-O 2.96Å; T9-C318 VanDerWaalsContact CG2-O 3.26Å; T9-C318 WeakPolarHBondContact CG2-O 3.34Å |
| 10 | V | 96.9 | Very high | 83.3 | Confident | 10 Ų | 10 | 75 Ų | 75 | 6% | 0.061 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -94.8 | 118.5 | 171.2 | 178.8 | 0 | 0 | 0 | 0 | 108.7 | A44 A279 E280 L317 | V10-A44 WeakPolarHBondContact CG2-O 3.32Å; V10-A279 HydrophobicContact CB-CB 4.47Å; V10-A279 HydrophobicContact CG2-CB 3.92Å; V10-A279 PolarHBondContact N-O 3.15Å; V10-A279 VanDerWaalsContact N-O 3.12Å; V10-E280 HydrophobicContact CB-CG 3.89Å; V10-E280 HydrophobicContact CG1-CG 4.09Å; V10-L317 HydrophobicContact CG2-CD2 3.82Å |
| 11 | T | 94.9 | Very high | 84 | Confident | 100 Ų | 100 | 72 Ų | 72 | 61% | 0.613 | 43% | 0.434 | S | S | * | . | trans | -121.7 | 169 | -177.7 | 60.1 | 0 | 0 | 0 | 0 | 111.4 | A13 | T11-A13 PolarHBondContact O-N 3.4Š| ||
| 12 | E | 94.9 | Very high | 87.1 | Confident | 144 Ų | 144 | 60.5 Ų | 60.5 | 67% | 0.673 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 124 | 179.5 | -166.7 | 172.4 | -173.3 | 0 | 0 | 111.4 | T14 T47 Q50 | E12-T14 PolarHBondContact O-N 3.26Å; E12-T47 HydrophobicContact CB-CG2 4.25Å; E12-T47 VanDerWaalsContact N-CG2 3.35Å; E12-Q50 VanDerWaalsContact CG-NE2 3.28Å |
| 13 | A | 96.1 | Very high | 89.9 | Confident | 22 Ų | 22 | 64.7 Ų | 64.7 | 18% | 0.182 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 128.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | T11 H45 Q50 | T11-A13 PolarHBondContact O-N 3.4Å; A13-H45 WeakPolarHBondContact CB-O 3.43Å; A13-Q50 VanDerWaalsContact N-OE1 3.1Å; A13-Q50 PolarHBondContact O-NE2 2.56Å |
| 14 | T | 94.3 | Very high | 92.3 | Very high | 142 Ų | 142 | 65.4 Ų | 65.4 | 87% | 0.871 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | 140.2 | 172.4 | 55.7 | 0 | 0 | 0 | 0 | 110.8 | E12 F16 | E12-T14 PolarHBondContact O-N 3.26Å; T14-F16 VanDerWaalsContact C-N 3.29Å; T14-F16 PolarHBondContact O-N 3.15Å |
| 15 | G | 94.2 | Very high | 94.4 | Very high | 83 Ų | 83 | 60 Ų | 60 | 86% | 0.856 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 24.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D17 | G15-D17 PolarHBondContact O-N 2.86Š|
| 16 | F | 97.8 | Very high | 96.1 | Very high | 35 Ų | 35 | 65 Ų | 65 | 15% | 0.154 | 37% | 0.365 | C | S | . | . | trans | -58.6 | 125.4 | -179.8 | 169.8 | -116.2 | 0 | 0 | 0 | 113.2 | T14 A18 D21 Q50 R53 I54 | T14-F16 VanDerWaalsContact C-N 3.29Å; T14-F16 PolarHBondContact O-N 3.15Å; F16-A18 HydrophobicContact CE1-CB 4.04Å; F16-A18 HydrophobicContact CE2-CB 4.26Å; F16-A18 HydrophobicContact CZ-CB 3.56Å; F16-D21 WeakPolarHBondContact CD2-OD2 3.37Å; F16-D21 VanDerWaalsContact CE2-OD2 3.29Å; F16-D21 WeakPolarHBondContact CE2-OD2 3.36Å; F16-Q50 VanDerWaalsContact CB-NE2 3.28Å; F16-Q50 HydrophobicContact CD1-CB 4.32Å; F16-Q50 HydrophobicContact CD1-CG 3.79Å; F16-Q50 HydrophobicContact CD2-CB 4.19Å; F16-Q50 HydrophobicContact CD2-CG 4.21Å; F16-Q50 HydrophobicContact CE1-CB 4.01Å; F16-Q50 HydrophobicContact CE1-CG 3.91Å; F16-Q50 HydrophobicContact CE2-CB 3.89Å; F16-Q50 HydrophobicContact CE2-CG 4.33Å; F16-Q50 HydrophobicContact CG-CB 4.39Å; F16-Q50 HydrophobicContact CG-CG 3.93Å; F16-Q50 HydrophobicContact CZ-CB 3.77Å; F16-Q50 HydrophobicContact CZ-CG 4.17Å; F16-Q50 WeakPolarHBondContact CZ-O 3.29Å; F16-R53 HydrophobicContact CE1-CB 3.98Å; F16-R53 HydrophobicContact CZ-CB 3.97Å; F16-I54 HydrophobicContact CE2-CD1 3.93Å; F16-I54 HydrophobicContact CE2-CG1 3.71Å; F16-I54 HydrophobicContact CZ-CD1 4.48Å; F16-I54 HydrophobicContact CZ-CG1 3.88Å | ||
| 17 | D | 98.1 | Very high | 96.9 | Very high | 88 Ų | 88 | 59.9 Ų | 59.9 | 47% | 0.471 | 35% | 0.349 | S | S | . | . | trans | -125.5 | 108.5 | 170.6 | -176.9 | -22.2 | 0 | 0 | 0 | 109.5 | G15 A19 A20 D21 | G15-D17 PolarHBondContact O-N 2.86Å; D17-A19 VanDerWaalsContact C-N 3.28Å; D17-A19 PolarHBondContact O-N 2.71Å; D17-A19 WeakPolarHBondContact OD1-CA 3.48Å; D17-A19 WeakPolarHBondContact OD1-CB 3.37Å; D17-A19 PolarHBondContact OD1-N 3.04Å; D17-A20 HydrophobicContact CB-CB 3.87Å; D17-A20 PolarHBondContact O-N 3.27Å; D17-A20 PolarHBondContact OD1-N 2.91Å; D17-A20 VanDerWaalsContact OD1-N 3.12Å; D17-D21 PolarHBondContact O-N 2.93Å | ||
| 18 | A | 98.3 | Very high | 97.1 | Very high | 13 Ų | 13 | 55.6 Ų | 55.6 | 11% | 0.107 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.2 | -33.6 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | F16 A22 R53 A57 | F16-A18 HydrophobicContact CE1-CB 4.04Å; F16-A18 HydrophobicContact CE2-CB 4.26Å; F16-A18 HydrophobicContact CZ-CB 3.56Å; A18-A22 VanDerWaalsContact O-CB 3.23Å; A18-A22 WeakPolarHBondContact O-CB 3.41Å; A18-A22 PolarHBondContact O-N 3.49Å; A18-R53 HydrophobicContact CB-CB 4.1Å; A18-A57 HydrophobicContact CB-CB 3.97Å |
| 19 | A | 97.9 | Very high | 97.2 | Very high | 39 Ų | 39 | 56 Ų | 56 | 32% | 0.322 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -74.4 | -41.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | D17 A22 Q23 | D17-A19 VanDerWaalsContact C-N 3.28Å; D17-A19 PolarHBondContact O-N 2.71Å; D17-A19 WeakPolarHBondContact OD1-CA 3.48Å; D17-A19 WeakPolarHBondContact OD1-CB 3.37Å; D17-A19 PolarHBondContact OD1-N 3.04Å; A19-A22 PolarHBondContact O-N 2.92Å; A19-Q23 WeakPolarHBondContact O-CG 3.48Å; A19-Q23 PolarHBondContact O-N 3.22Å |
| 20 | A | 98.1 | Very high | 97 | Very high | 46 Ų | 46 | 62.9 Ų | 62.9 | 38% | 0.38 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D17 A22 Q23 K24 | D17-A20 HydrophobicContact CB-CB 3.87Å; D17-A20 PolarHBondContact O-N 3.27Å; D17-A20 PolarHBondContact OD1-N 2.91Å; D17-A20 VanDerWaalsContact OD1-N 3.12Å; A20-A22 PolarHBondContact O-N 3.33Å; A20-Q23 PolarHBondContact O-N 2.86Å; A20-K24 WeakPolarHBondContact O-CB 3.44Å; A20-K24 PolarHBondContact O-N 3.42Å |
| 21 | D | 98.6 | Very high | 96.7 | Very high | 11 Ų | 11 | 65.4 Ų | 65.4 | 6% | 0.059 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 176.6 | -76.6 | -23.1 | 0 | 0 | 0 | 111.8 | F16 D17 Q23 K24 L25 V42 R46 I54 | F16-D21 WeakPolarHBondContact CD2-OD2 3.37Å; F16-D21 VanDerWaalsContact CE2-OD2 3.29Å; F16-D21 WeakPolarHBondContact CE2-OD2 3.36Å; D17-D21 PolarHBondContact O-N 2.93Å; D21-Q23 PolarHBondContact O-N 3.48Å; D21-K24 PolarHBondContact O-N 2.98Å; D21-L25 WeakPolarHBondContact O-CG 3.47Å; D21-L25 PolarHBondContact O-N 3.29Å; D21-V42 HydrophobicContact CB-CG1 3.94Å; D21-R46 IonicContact OD1-CZ 2.56Å; D21-R46 IonicContact OD1-NE 2.86Å; D21-R46 IonicContact OD1-NH2 3.77Å; D21-R46 PolarHBondContact OD1-NH2 3.16Å; D21-R46 IonicContact OD2-CZ 3.87Å; D21-R46 IonicContact OD2-NE 3.15Å; D21-R46 PolarHBondContact OD2-NE 3.3Å; D21-R46 IonicContact OD2-NH2 3.35Å; D21-R46 PolarHBondContact OD2-NH2 3.29Å; D21-R46 VanDerWaalsContact OD2-NH2 3.15Å; D21-I54 HydrophobicContact CB-CD1 3.73Å; D21-I54 HydrophobicContact CB-CG1 3.84Å; D21-I54 HydrophobicContact CB-CG2 4.39Å |
| 22 | A | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A18 A19 A20 L25 R26 I54 A57 Y58 | A18-A22 VanDerWaalsContact O-CB 3.23Å; A18-A22 WeakPolarHBondContact O-CB 3.41Å; A18-A22 PolarHBondContact O-N 3.49Å; A19-A22 PolarHBondContact O-N 2.92Å; A20-A22 PolarHBondContact O-N 3.33Å; A22-L25 PolarHBondContact O-N 2.97Å; A22-R26 WeakPolarHBondContact O-CB 3.23Å; A22-R26 PolarHBondContact O-N 3.44Å; A22-I54 HydrophobicContact CB-CG2 4.37Å; A22-A57 HydrophobicContact CB-CB 4.14Å; A22-Y58 HydrophobicContact CB-CD2 4.14Å; A22-Y58 WeakPolarHBondContact O-CD2 3.48Å |
| 23 | Q | 97.9 | Very high | 96.3 | Very high | 132 Ų | 132 | 63.7 Ų | 63.7 | 62% | 0.617 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -65.3 | -40.3 | 174.7 | -73.6 | 178.6 | 5.1 | 0 | 0 | 112 | A19 A20 D21 R26 G27 | A19-Q23 WeakPolarHBondContact O-CG 3.48Å; A19-Q23 PolarHBondContact O-N 3.22Å; A20-Q23 PolarHBondContact O-N 2.86Å; D21-Q23 PolarHBondContact O-N 3.48Å; Q23-R26 PolarHBondContact O-N 3.35Å; Q23-G27 PolarHBondContact O-N 2.9Å |
| 24 | K | 98.3 | Very high | 96.4 | Very high | 84 Ų | 84 | 64 Ų | 64 | 37% | 0.365 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 175.9 | -175.8 | 170.6 | 176.5 | 178.6 | 0 | 111.4 | A20 D21 G27 A28 D41 V42 | A20-K24 WeakPolarHBondContact O-CB 3.44Å; A20-K24 PolarHBondContact O-N 3.42Å; D21-K24 PolarHBondContact O-N 2.98Å; K24-G27 PolarHBondContact O-N 2.96Å; K24-A28 PolarHBondContact O-N 3.42Å; K24-D41 IonicContact NZ-OD2 3.05Å; K24-D41 PolarHBondContact NZ-OD2 2.9Å; K24-V42 HydrophobicContact CB-CG2 4.46Å; K24-V42 HydrophobicContact CD-CG2 3.66Å; K24-V42 HydrophobicContact CG-CG2 4.1Å |
| 25 | L | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 175.5 | -70.3 | 173 | 0 | 0 | 0 | 112.1 | D21 A22 G27 A28 M29 I39 V42 L43 I54 L66 | D21-L25 WeakPolarHBondContact O-CG 3.47Å; D21-L25 PolarHBondContact O-N 3.29Å; A22-L25 PolarHBondContact O-N 2.97Å; L25-G27 VanDerWaalsContact C-N 3.31Å; L25-G27 PolarHBondContact O-N 3.46Å; L25-A28 WeakPolarHBondContact O-CB 3.46Å; L25-A28 PolarHBondContact O-N 3.48Å; L25-M29 HydrophobicContact CB-CE 4.45Å; L25-M29 VanDerWaalsContact O-CE 3.32Å; L25-M29 WeakPolarHBondContact O-CE 3.37Å; L25-M29 PolarHBondContact O-N 2.82Å; L25-I39 HydrophobicContact CD2-CB 4.38Å; L25-I39 HydrophobicContact CD2-CG1 4.11Å; L25-I39 HydrophobicContact CD2-CG2 4.47Å; L25-V42 HydrophobicContact CD1-CG1 4.08Å; L25-V42 HydrophobicContact CD2-CB 4.08Å; L25-V42 HydrophobicContact CD2-CG1 4.27Å; L25-V42 HydrophobicContact CD2-CG2 4.41Å; L25-V42 HydrophobicContact CG-CB 4.39Å; L25-V42 HydrophobicContact CG-CG1 4.14Å; L25-L43 HydrophobicContact CD1-CD2 4.1Å; L25-L43 HydrophobicContact CD2-CG 4.33Å; L25-I54 HydrophobicContact CD1-CG2 3.66Å; L25-L66 HydrophobicContact CB-CD1 4.3Å; L25-L66 HydrophobicContact CD1-CD1 4.03Å; L25-L66 HydrophobicContact CD1-CD2 3.82Å |
| 26 | R | 97.4 | Very high | 96.8 | Very high | 125 Ų | 125 | 60 Ų | 60 | 47% | 0.472 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 174.2 | -174.4 | -173.1 | -176.3 | 165.5 | -0.6 | 111.5 | A22 Q23 A28 M29 K30 Y58 V62 | A22-R26 WeakPolarHBondContact O-CB 3.23Å; A22-R26 PolarHBondContact O-N 3.44Å; Q23-R26 PolarHBondContact O-N 3.35Å; R26-A28 VanDerWaalsContact C-N 3.33Å; R26-M29 PolarHBondContact O-N 2.82Å; R26-K30 PolarHBondContact O-N 3Å; R26-Y58 HydrophobicContact CB-CE2 3.82Å; R26-V62 HydrophobicContact CB-CG2 4.41Å; R26-V62 HydrophobicContact CG-CG2 4.28Å |
| 27 | G | 97.9 | Very high | 96.8 | Very high | 46 Ų | 46 | 60.9 Ų | 60.9 | 47% | 0.474 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | Q23 K24 L25 M29 K30 | Q23-G27 PolarHBondContact O-N 2.9Å; K24-G27 PolarHBondContact O-N 2.96Å; L25-G27 VanDerWaalsContact C-N 3.31Å; L25-G27 PolarHBondContact O-N 3.46Å; G27-M29 PolarHBondContact O-N 2.77Å; G27-K30 PolarHBondContact O-N 3.29Å; G27-K30 VanDerWaalsContact O-N 3.16Å |
| 28 | A | 97.9 | Very high | 96.8 | Very high | 7 Ų | 7 | 57.2 Ų | 57.2 | 6% | 0.058 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63 | -24.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | K24 L25 R26 T34 D35 A38 I39 | K24-A28 PolarHBondContact O-N 3.42Å; L25-A28 WeakPolarHBondContact O-CB 3.46Å; L25-A28 PolarHBondContact O-N 3.48Å; R26-A28 VanDerWaalsContact C-N 3.33Å; A28-T34 CarbonylContact O-C 3.6Å; A28-T34 WeakPolarHBondContact O-CA 3.35Å; A28-D35 HydrophobicContact CB-CB 3.93Å; A28-D35 PolarHBondContact O-N 3.01Å; A28-A38 HydrophobicContact CB-CB 3.89Å; A28-I39 HydrophobicContact CB-CG1 4.02Å |
| 29 | M | 97.4 | Very high | 96.8 | Very high | 18 Ų | 18 | 56.6 Ų | 56.6 | 9% | 0.089 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 6.6 | 179.5 | -66.2 | -175.5 | -71.6 | 0 | 0 | 113.1 | L25 R26 G27 I39 Y58 L66 D69 L70 E73 | L25-M29 HydrophobicContact CB-CE 4.45Å; L25-M29 VanDerWaalsContact O-CE 3.32Å; L25-M29 WeakPolarHBondContact O-CE 3.37Å; L25-M29 PolarHBondContact O-N 2.82Å; R26-M29 PolarHBondContact O-N 2.82Å; G27-M29 PolarHBondContact O-N 2.77Å; M29-I39 HydrophobicContact CG-CD1 4.48Å; M29-Y58 HydrophobicContact CE-CE2 3.86Å; M29-Y58 VanDerWaalsContact CE-OH 3.24Å; M29-Y58 WeakPolarHBondContact CE-OH 3.46Å; M29-L66 HydrophobicContact CE-CD1 3.95Å; M29-D69 HydrophobicContact CE-CB 4.05Å; M29-D69 HydrophobicContact SD-CB 3.94Å; M29-L70 HydrophobicContact CE-CD2 4.33Å; M29-L70 HydrophobicContact CE-CG 4.33Å; M29-L70 HydrophobicContact CG-CD2 4.45Å; M29-L70 HydrophobicContact SD-CB 4.45Å; M29-L70 HydrophobicContact SD-CD2 3.59Å; M29-L70 VanDerWaalsContact SD-CD2 3.59Å; M29-L70 HydrophobicContact SD-CG 3.8Å; M29-E73 HydrophobicContact CB-CG 3.86Å; M29-E73 HydrophobicContact CG-CB 4.31Å; M29-E73 HydrophobicContact CG-CG 3.81Å; M29-E73 HydrophobicContact SD-CB 4.5Å; M29-E73 HydrophobicContact SD-CG 4.02Å |
| 30 | K | 94 | Very high | 96.8 | Very high | 176 Ų | 176 | 55.1 Ų | 55.1 | 77% | 0.765 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -95.7 | 123.5 | -174.7 | -172.8 | -175 | 178.5 | -173.3 | 0 | 111.3 | R26 G27 | R26-K30 PolarHBondContact O-N 3Å; G27-K30 PolarHBondContact O-N 3.29Å; G27-K30 VanDerWaalsContact O-N 3.16Å |
| 31 | G | 90.4 | Very high | 96.8 | Very high | 62 Ų | 62 | 56.6 Ų | 56.6 | 64% | 0.639 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 106.4 | -149.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 32 | T | 89.1 | Confident | 96.8 | Very high | 158 Ų | 158 | 56.1 Ų | 56.1 | 97% | 0.969 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -92.5 | 120.3 | 177.7 | -44.5 | 0 | 0 | 0 | 0 | 109.3 | ||
| 33 | G | 92.4 | Very high | 96.8 | Very high | 50 Ų | 50 | 56.1 Ų | 56.1 | 52% | 0.515 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 86.1 | -179.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 34 | T | 97.1 | Very high | 96.8 | Very high | 28 Ų | 28 | 49.9 Ų | 49.9 | 17% | 0.172 | 30% | 0.298 | C | S | . | . | trans | -130.6 | 146.2 | -173.5 | -50.3 | 0 | 0 | 0 | 0 | 109.1 | A28 I39 E73 L74 | A28-T34 CarbonylContact O-C 3.6Å; A28-T34 WeakPolarHBondContact O-CA 3.35Å; T34-I39 HydrophobicContact CG2-CD1 3.51Å; T34-E73 HydrophobicContact CG2-CB 4.2Å; T34-E73 PolarHBondContact OG1-O 3.36Å; T34-L74 HydrophobicContact CG2-CD2 3.83Å | ||
| 35 | D | 98.2 | Very high | 96.8 | Very high | 79 Ų | 79 | 49.2 Ų | 49.2 | 42% | 0.422 | 30% | 0.296 | S | S | . | . | trans | -95.4 | 83.7 | 169.7 | -175 | -12.5 | 0 | 0 | 0 | 109.5 | A28 A37 A38 I39 | A28-D35 HydrophobicContact CB-CB 3.93Å; A28-D35 PolarHBondContact O-N 3.01Å; D35-A37 PolarHBondContact O-N 2.89Å; D35-A37 WeakPolarHBondContact OD1-CB 3.47Å; D35-A37 PolarHBondContact OD1-N 3.2Å; D35-A38 HydrophobicContact CB-CB 4.1Å; D35-A38 VanDerWaalsContact CG-CB 3.45Å; D35-A38 PolarHBondContact O-N 3.21Å; D35-A38 PolarHBondContact OD1-N 3.39Å; D35-A38 WeakPolarHBondContact OD2-CB 3.46Å; D35-I39 WeakPolarHBondContact O-CG1 3.48Å; D35-I39 PolarHBondContact O-N 3.2Å | ||
| 36 | E | 98.4 | Very high | 96.8 | Very high | 62 Ų | 62 | 51.2 Ų | 51.2 | 29% | 0.29 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.1 | -26.5 | -179.9 | -63.2 | 85.5 | 176.3 | 0 | 0 | 112.5 | I39 T40 L74 F78 D309 | E36-I39 PolarHBondContact O-N 2.88Å; E36-T40 WeakPolarHBondContact O-CB 3.25Å; E36-T40 PolarHBondContact O-N 2.89Å; E36-T40 PolarHBondContact O-OG1 3.18Å; E36-L74 HydrophobicContact CG-CD2 4.2Å; E36-F78 HydrophobicContact CB-CD1 4.46Å; E36-F78 HydrophobicContact CB-CE1 3.67Å; E36-F78 HydrophobicContact CB-CZ 3.76Å; E36-F78 HydrophobicContact CG-CD1 4.04Å; E36-F78 HydrophobicContact CG-CE1 3.56Å; E36-F78 HydrophobicContact CG-CZ 4.19Å; E36-D309 HydrophobicContact CB-CB 3.91Å; E36-D309 HydrophobicContact CG-CB 4.41Å |
| 37 | A | 98.2 | Very high | 96.8 | Very high | 54 Ų | 54 | 45.6 Ų | 45.6 | 45% | 0.446 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -69 | -45.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | D35 I39 T40 D41 | D35-A37 PolarHBondContact O-N 2.89Å; D35-A37 WeakPolarHBondContact OD1-CB 3.47Å; D35-A37 PolarHBondContact OD1-N 3.2Å; A37-I39 VanDerWaalsContact C-N 3.32Å; A37-I39 PolarHBondContact O-N 3.37Å; A37-T40 PolarHBondContact O-N 3.33Å; A37-D41 WeakPolarHBondContact O-CB 3.43Å; A37-D41 PolarHBondContact O-N 3.27Å |
| 38 | A | 98.3 | Very high | 96.8 | Very high | 12 Ų | 12 | 44.1 Ų | 44.1 | 10% | 0.099 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.6 | -37.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A28 D35 V42 | A28-A38 HydrophobicContact CB-CB 3.89Å; D35-A38 HydrophobicContact CB-CB 4.1Å; D35-A38 VanDerWaalsContact CG-CB 3.45Å; D35-A38 PolarHBondContact O-N 3.21Å; D35-A38 PolarHBondContact OD1-N 3.39Å; D35-A38 WeakPolarHBondContact OD2-CB 3.46Å; A38-V42 WeakPolarHBondContact O-CG2 3.38Å; A38-V42 PolarHBondContact O-N 3.29Å |
| 39 | I | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 174.5 | -66.7 | 168.4 | 0 | 0 | 0 | 110.6 | L25 A28 M29 T34 D35 E36 A37 V42 L43 L70 L74 F78 V82 | L25-I39 HydrophobicContact CD2-CB 4.38Å; L25-I39 HydrophobicContact CD2-CG1 4.11Å; L25-I39 HydrophobicContact CD2-CG2 4.47Å; A28-I39 HydrophobicContact CB-CG1 4.02Å; M29-I39 HydrophobicContact CG-CD1 4.48Å; T34-I39 HydrophobicContact CG2-CD1 3.51Å; D35-I39 WeakPolarHBondContact O-CG1 3.48Å; D35-I39 PolarHBondContact O-N 3.2Å; E36-I39 PolarHBondContact O-N 2.88Å; A37-I39 VanDerWaalsContact C-N 3.32Å; A37-I39 PolarHBondContact O-N 3.37Å; I39-V42 PolarHBondContact O-N 3.25Å; I39-L43 HydrophobicContact CG2-CD1 3.83Å; I39-L43 HydrophobicContact CG2-CG 4.43Å; I39-L43 WeakPolarHBondContact O-CB 3.36Å; I39-L43 PolarHBondContact O-N 2.98Å; I39-L70 HydrophobicContact CD1-CD2 3.69Å; I39-L70 HydrophobicContact CG1-CD2 4.1Å; I39-L70 HydrophobicContact CG2-CD2 4.08Å; I39-L74 HydrophobicContact CD1-CD1 4.4Å; I39-L74 HydrophobicContact CD1-CD2 4.02Å; I39-F78 HydrophobicContact CG2-CZ 4.29Å; I39-V82 HydrophobicContact CG2-CG1 4.2Å; I39-V82 HydrophobicContact CG2-CG2 3.91Å |
| 40 | T | 98.6 | Very high | 96.8 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 5% | 0.049 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.9 | -48.8 | 177.7 | -60.6 | 0 | 0 | 0 | 0 | 111.1 | E36 A37 V42 L43 A44 F78 I313 E316 | E36-T40 WeakPolarHBondContact O-CB 3.25Å; E36-T40 PolarHBondContact O-N 2.89Å; E36-T40 PolarHBondContact O-OG1 3.18Å; A37-T40 PolarHBondContact O-N 3.33Å; T40-V42 PolarHBondContact O-N 3.11Å; T40-L43 PolarHBondContact O-N 3.46Å; T40-A44 HydrophobicContact CG2-CB 4.39Å; T40-A44 VanDerWaalsContact O-CB 3.25Å; T40-A44 WeakPolarHBondContact O-CB 3.47Å; T40-A44 PolarHBondContact O-N 3.48Å; T40-F78 WeakPolarHBondContact OG1-CE2 3.42Å; T40-I313 HydrophobicContact CG2-CB 3.91Å; T40-I313 HydrophobicContact CG2-CG1 4.07Å; T40-E316 HydrophobicContact CG2-CG 3.89Å |
| 41 | D | 97.4 | Very high | 97 | Very high | 77 Ų | 77 | 37.8 Ų | 37.8 | 41% | 0.412 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.8 | -32.6 | -178.6 | -176.6 | 58.6 | 0 | 0 | 0 | 112.7 | K24 A37 H45 | K24-D41 IonicContact NZ-OD2 3.05Å; K24-D41 PolarHBondContact NZ-OD2 2.9Å; A37-D41 WeakPolarHBondContact O-CB 3.43Å; A37-D41 PolarHBondContact O-N 3.27Å; D41-H45 WeakPolarHBondContact O-CB 3.45Å; D41-H45 PolarHBondContact O-ND1 3.25Å; D41-H45 IonicContact OD1-ND1 3.55Å |
| 42 | V | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -81.9 | -57.7 | 173.8 | 178 | 0 | 0 | 0 | 0 | 111.3 | D21 K24 L25 A38 I39 T40 A44 H45 R46 I54 | D21-V42 HydrophobicContact CB-CG1 3.94Å; K24-V42 HydrophobicContact CB-CG2 4.46Å; K24-V42 HydrophobicContact CD-CG2 3.66Å; K24-V42 HydrophobicContact CG-CG2 4.1Å; L25-V42 HydrophobicContact CD1-CG1 4.08Å; L25-V42 HydrophobicContact CD2-CB 4.08Å; L25-V42 HydrophobicContact CD2-CG1 4.27Å; L25-V42 HydrophobicContact CD2-CG2 4.41Å; L25-V42 HydrophobicContact CG-CB 4.39Å; L25-V42 HydrophobicContact CG-CG1 4.14Å; A38-V42 WeakPolarHBondContact O-CG2 3.38Å; A38-V42 PolarHBondContact O-N 3.29Å; I39-V42 PolarHBondContact O-N 3.25Å; T40-V42 PolarHBondContact O-N 3.11Å; V42-A44 PolarHBondContact O-N 3.44Å; V42-H45 PolarHBondContact O-N 3.23Å; V42-R46 HydrophobicContact CG1-CG 4.48Å; V42-R46 WeakPolarHBondContact O-CG 3.32Å; V42-R46 PolarHBondContact O-N 3.48Å; V42-I54 HydrophobicContact CG1-CD1 3.93Å |
| 43 | L | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -79.4 | -21.2 | -164.3 | -63.4 | -177.9 | 0 | 0 | 0 | 114.7 | L25 I39 T40 R51 L70 V82 L85 L86 | L25-L43 HydrophobicContact CD1-CD2 4.1Å; L25-L43 HydrophobicContact CD2-CG 4.33Å; I39-L43 HydrophobicContact CG2-CD1 3.83Å; I39-L43 HydrophobicContact CG2-CG 4.43Å; I39-L43 WeakPolarHBondContact O-CB 3.36Å; I39-L43 PolarHBondContact O-N 2.98Å; T40-L43 PolarHBondContact O-N 3.46Å; L43-R51 HydrophobicContact CD2-CG 4.21Å; L43-R51 WeakPolarHBondContact O-CD 3.28Å; L43-R51 PolarHBondContact O-NH1 3.02Å; L43-L70 HydrophobicContact CD1-CD1 4.03Å; L43-V82 HydrophobicContact CD1-CG1 3.69Å; L43-L85 HydrophobicContact CB-CD1 4.39Å; L43-L86 HydrophobicContact CD1-CD2 4.36Å; L43-L86 HydrophobicContact CD2-CD2 3.87Å |
| 44 | A | 98 | Very high | 98.2 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 2% | 0.017 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -17.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V10 T40 V42 I313 E316 L317 | V10-A44 WeakPolarHBondContact CG2-O 3.32Å; T40-A44 HydrophobicContact CG2-CB 4.39Å; T40-A44 VanDerWaalsContact O-CB 3.25Å; T40-A44 WeakPolarHBondContact O-CB 3.47Å; T40-A44 PolarHBondContact O-N 3.48Å; V42-A44 PolarHBondContact O-N 3.44Å; A44-I313 HydrophobicContact CB-CG1 4.25Å; A44-E316 HydrophobicContact CB-CB 3.6Å; A44-E316 HydrophobicContact CB-CG 4.34Å; A44-L317 HydrophobicContact CB-CD2 4.28Å |
| 45 | H | 97.8 | Very high | 98.3 | Very high | 70 Ų | 70 | 34.2 Ų | 34.2 | 32% | 0.324 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -112.3 | 24.5 | -177.5 | -57.5 | 110.2 | 0 | 0 | 0 | 113.2 | A13 D41 V42 E316 | A13-H45 WeakPolarHBondContact CB-O 3.43Å; D41-H45 WeakPolarHBondContact O-CB 3.45Å; D41-H45 PolarHBondContact O-ND1 3.25Å; D41-H45 IonicContact OD1-ND1 3.55Å; V42-H45 PolarHBondContact O-N 3.23Å; H45-E316 IonicContact CE1-OE2 3.62Å; H45-E316 IonicContact NE2-OE2 4Å; H45-E316 PolarHBondContact NE2-OE2 3.41Å |
| 46 | R | 98.3 | Very high | 98.3 | Very high | 42 Ų | 42 | 36 Ų | 36 | 16% | 0.158 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -134.3 | 134.3 | 175.4 | -64.7 | -66.5 | -177.5 | -76.7 | -10.8 | 108.5 | D21 V42 Q50 R51 I54 | D21-R46 IonicContact OD1-CZ 2.56Å; D21-R46 IonicContact OD1-NE 2.86Å; D21-R46 IonicContact OD1-NH2 3.77Å; D21-R46 PolarHBondContact OD1-NH2 3.16Å; D21-R46 IonicContact OD2-CZ 3.87Å; D21-R46 IonicContact OD2-NE 3.15Å; D21-R46 PolarHBondContact OD2-NE 3.3Å; D21-R46 IonicContact OD2-NH2 3.35Å; D21-R46 PolarHBondContact OD2-NH2 3.29Å; D21-R46 VanDerWaalsContact OD2-NH2 3.15Å; V42-R46 HydrophobicContact CG1-CG 4.48Å; V42-R46 WeakPolarHBondContact O-CG 3.32Å; V42-R46 PolarHBondContact O-N 3.48Å; R46-Q50 HydrophobicContact CB-CB 3.95Å; R46-R51 HydrophobicContact CB-CG 3.8Å; R46-R51 WeakPolarHBondContact O-CD 3.12Å; R46-R51 PolarHBondContact O-NE 3.26Å; R46-R51 VanDerWaalsContact O-NE 3.11Å; R46-I54 HydrophobicContact CB-CD1 4.36Å; R46-I54 HydrophobicContact CG-CD1 3.99Å |
| 47 | T | 97.9 | Very high | 98.3 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 4% | 0.037 | 18% | 0.175 | C | C | . | . | trans | -64 | 163 | 174.2 | 59.5 | 0 | 0 | 0 | 0 | 110.6 | E12 A49 Q50 R51 E280 | E12-T47 HydrophobicContact CB-CG2 4.25Å; E12-T47 VanDerWaalsContact N-CG2 3.35Å; T47-A49 PolarHBondContact O-N 3.42Å; T47-Q50 PolarHBondContact O-N 3.35Å; T47-Q50 WeakPolarHBondContact OG1-CG 3.42Å; T47-Q50 PolarHBondContact OG1-N 2.83Å; T47-R51 WeakPolarHBondContact O-CG 3.35Å; T47-R51 PolarHBondContact O-N 3.36Å; T47-R51 PolarHBondContact O-NE 3.06Å; T47-E280 WeakPolarHBondContact CA-OE2 3.47Å; T47-E280 VanDerWaalsContact CB-OE2 3.32Å; T47-E280 WeakPolarHBondContact CB-OE2 3.39Å | ||
| 48 | I | 97.7 | Very high | 98.3 | Very high | 16 Ų | 16 | 31.2 Ų | 31.2 | 8% | 0.082 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.7 | -34.3 | 176.6 | -171.9 | 59.5 | 0 | 0 | 0 | 112 | R51 Q52 L85 M87 L88 E280 | I48-R51 PolarHBondContact O-N 3.05Å; I48-Q52 VanDerWaalsContact CD1-NE2 3.32Å; I48-Q52 WeakPolarHBondContact O-CG 3.35Å; I48-Q52 PolarHBondContact O-N 3.27Å; I48-L85 WeakPolarHBondContact CD1-O 3.43Å; I48-M87 VanDerWaalsContact CD1-O 3.24Å; I48-M87 WeakPolarHBondContact CD1-O 3.49Å; I48-L88 HydrophobicContact CG1-CD2 3.93Å; I48-E280 VanDerWaalsContact N-CD 3.28Å; I48-E280 PolarHBondContact N-OE1 3.18Å; I48-E280 PolarHBondContact N-OE2 2.95Å |
| 49 | A | 97.2 | Very high | 98.3 | Very high | 55 Ų | 55 | 35.9 Ų | 35.9 | 46% | 0.455 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.2 | -45.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | T47 Q52 R53 | T47-A49 PolarHBondContact O-N 3.42Å; A49-Q52 PolarHBondContact O-N 3.19Å; A49-R53 PolarHBondContact O-N 2.91Å |
| 50 | Q | 98.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.019 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.1 | -41.6 | 174.9 | -70.1 | 176.7 | -36 | 0 | 0 | 111.1 | E12 A13 F16 R46 T47 Q52 R53 I54 | E12-Q50 VanDerWaalsContact CG-NE2 3.28Å; A13-Q50 VanDerWaalsContact N-OE1 3.1Å; A13-Q50 PolarHBondContact O-NE2 2.56Å; F16-Q50 VanDerWaalsContact CB-NE2 3.28Å; F16-Q50 HydrophobicContact CD1-CB 4.32Å; F16-Q50 HydrophobicContact CD1-CG 3.79Å; F16-Q50 HydrophobicContact CD2-CB 4.19Å; F16-Q50 HydrophobicContact CD2-CG 4.21Å; F16-Q50 HydrophobicContact CE1-CB 4.01Å; F16-Q50 HydrophobicContact CE1-CG 3.91Å; F16-Q50 HydrophobicContact CE2-CB 3.89Å; F16-Q50 HydrophobicContact CE2-CG 4.33Å; F16-Q50 HydrophobicContact CG-CB 4.39Å; F16-Q50 HydrophobicContact CG-CG 3.93Å; F16-Q50 HydrophobicContact CZ-CB 3.77Å; F16-Q50 HydrophobicContact CZ-CG 4.17Å; F16-Q50 WeakPolarHBondContact CZ-O 3.29Å; R46-Q50 HydrophobicContact CB-CB 3.95Å; T47-Q50 PolarHBondContact O-N 3.35Å; T47-Q50 WeakPolarHBondContact OG1-CG 3.42Å; T47-Q50 PolarHBondContact OG1-N 2.83Å; Q50-Q52 VanDerWaalsContact C-N 3.33Å; Q50-Q52 PolarHBondContact O-N 2.98Å; Q50-R53 WeakPolarHBondContact O-CA 3.24Å; Q50-R53 WeakPolarHBondContact O-CB 3.47Å; Q50-R53 PolarHBondContact O-N 3.38Å; Q50-I54 WeakPolarHBondContact O-CG1 3.16Å; Q50-I54 PolarHBondContact O-N 2.65Å |
| 51 | R | 98.8 | Very high | 98.1 | Very high | 8 Ų | 8 | 46.5 Ų | 46.5 | 3% | 0.03 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.6 | -35.5 | 176.9 | -68.7 | 177.7 | -67.8 | -178.4 | 14.2 | 113.1 | L43 R46 T47 I48 I54 K55 L85 L86 E280 | L43-R51 HydrophobicContact CD2-CG 4.21Å; L43-R51 WeakPolarHBondContact O-CD 3.28Å; L43-R51 PolarHBondContact O-NH1 3.02Å; R46-R51 HydrophobicContact CB-CG 3.8Å; R46-R51 WeakPolarHBondContact O-CD 3.12Å; R46-R51 PolarHBondContact O-NE 3.26Å; R46-R51 VanDerWaalsContact O-NE 3.11Å; T47-R51 WeakPolarHBondContact O-CG 3.35Å; T47-R51 PolarHBondContact O-N 3.36Å; T47-R51 PolarHBondContact O-NE 3.06Å; I48-R51 PolarHBondContact O-N 3.05Å; R51-I54 PolarHBondContact O-N 2.82Å; R51-K55 WeakPolarHBondContact O-CG 3.47Å; R51-K55 PolarHBondContact O-N 2.99Å; R51-L85 VanDerWaalsContact CD-O 3.31Å; R51-L85 WeakPolarHBondContact CD-O 3.45Å; R51-L85 PolarHBondContact NE-O 2.63Å; R51-L85 VanDerWaalsContact NH1-CG 3.3Å; R51-L85 PolarHBondContact NH1-O 3.17Å; R51-L85 PolarHBondContact NH2-O 3.4Å; R51-L86 HydrophobicContact CB-CD2 4.34Å; R51-E280 IonicContact CZ-OE1 3.8Å; R51-E280 IonicContact NH2-OE1 3.55Å; R51-E280 PolarHBondContact NH2-OE1 2.72Å |
| 52 | Q | 98.7 | Very high | 97.9 | Very high | 38 Ų | 38 | 44.3 Ų | 44.3 | 18% | 0.178 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64 | -42.2 | 171.1 | -66.5 | -40 | -67 | 0 | 0 | 111.9 | I48 A49 Q50 I54 K55 E56 L86 L88 | I48-Q52 VanDerWaalsContact CD1-NE2 3.32Å; I48-Q52 WeakPolarHBondContact O-CG 3.35Å; I48-Q52 PolarHBondContact O-N 3.27Å; A49-Q52 PolarHBondContact O-N 3.19Å; Q50-Q52 VanDerWaalsContact C-N 3.33Å; Q50-Q52 PolarHBondContact O-N 2.98Å; Q52-I54 VanDerWaalsContact C-N 3.31Å; Q52-I54 PolarHBondContact O-N 3.31Å; Q52-K55 WeakPolarHBondContact O-CB 3.36Å; Q52-K55 PolarHBondContact O-N 3.29Å; Q52-K55 VanDerWaalsContact O-N 3.17Å; Q52-E56 WeakPolarHBondContact O-CG 3.34Å; Q52-E56 PolarHBondContact O-N 3.35Å; Q52-L86 PolarHBondContact NE2-O 2.88Å; Q52-L88 HydrophobicContact CG-CD2 3.87Å; Q52-L88 HydrophobicContact CG-CG 4.35Å |
| 53 | R | 98.7 | Very high | 97.7 | Very high | 136 Ų | 136 | 47.3 Ų | 47.3 | 51% | 0.513 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.8 | -36 | 175.3 | -67.2 | 176.4 | 64.4 | -172 | -1.3 | 112.3 | F16 A18 A49 Q50 E56 A57 | F16-R53 HydrophobicContact CE1-CB 3.98Å; F16-R53 HydrophobicContact CZ-CB 3.97Å; A18-R53 HydrophobicContact CB-CB 4.1Å; A49-R53 PolarHBondContact O-N 2.91Å; Q50-R53 WeakPolarHBondContact O-CA 3.24Å; Q50-R53 WeakPolarHBondContact O-CB 3.47Å; Q50-R53 PolarHBondContact O-N 3.38Å; R53-E56 PolarHBondContact O-N 3.41Å; R53-A57 WeakPolarHBondContact O-CB 3.22Å; R53-A57 PolarHBondContact O-N 2.98Å |
| 54 | I | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63 | -45.2 | 172.7 | -63.7 | 168.3 | 0 | 0 | 0 | 110.3 | F16 D21 A22 L25 V42 R46 Q50 R51 Q52 E56 A57 Y58 L66 | F16-I54 HydrophobicContact CE2-CD1 3.93Å; F16-I54 HydrophobicContact CE2-CG1 3.71Å; F16-I54 HydrophobicContact CZ-CD1 4.48Å; F16-I54 HydrophobicContact CZ-CG1 3.88Å; D21-I54 HydrophobicContact CB-CD1 3.73Å; D21-I54 HydrophobicContact CB-CG1 3.84Å; D21-I54 HydrophobicContact CB-CG2 4.39Å; A22-I54 HydrophobicContact CB-CG2 4.37Å; L25-I54 HydrophobicContact CD1-CG2 3.66Å; V42-I54 HydrophobicContact CG1-CD1 3.93Å; R46-I54 HydrophobicContact CB-CD1 4.36Å; R46-I54 HydrophobicContact CG-CD1 3.99Å; Q50-I54 WeakPolarHBondContact O-CG1 3.16Å; Q50-I54 PolarHBondContact O-N 2.65Å; R51-I54 PolarHBondContact O-N 2.82Å; Q52-I54 VanDerWaalsContact C-N 3.31Å; Q52-I54 PolarHBondContact O-N 3.31Å; I54-E56 VanDerWaalsContact C-N 3.31Å; I54-E56 PolarHBondContact O-N 2.89Å; I54-A57 PolarHBondContact O-N 2.96Å; I54-Y58 VanDerWaalsContact O-CB 3.28Å; I54-Y58 WeakPolarHBondContact O-CB 3.31Å; I54-Y58 PolarHBondContact O-N 3.35Å; I54-L66 HydrophobicContact CG2-CD2 3.96Å |
| 55 | K | 98.7 | Very high | 97.6 | Very high | 49 Ų | 49 | 56 Ų | 56 | 21% | 0.213 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58 | -44.3 | 176.7 | -70.5 | 166.4 | 66.9 | -173.1 | 0 | 111.7 | R51 Q52 Y58 K59 L66 L86 | R51-K55 WeakPolarHBondContact O-CG 3.47Å; R51-K55 PolarHBondContact O-N 2.99Å; Q52-K55 WeakPolarHBondContact O-CB 3.36Å; Q52-K55 PolarHBondContact O-N 3.29Å; Q52-K55 VanDerWaalsContact O-N 3.17Å; K55-Y58 PolarHBondContact O-N 3.18Å; K55-K59 WeakPolarHBondContact O-CB 3.21Å; K55-K59 PolarHBondContact O-N 2.8Å; K55-L66 HydrophobicContact CG-CB 4.31Å; K55-L66 HydrophobicContact CG-CD2 3.96Å; K55-L86 HydrophobicContact CD-CB 4.17Å; K55-L86 HydrophobicContact CD-CD2 4.24Å; K55-L86 HydrophobicContact CG-CD2 4.26Å; K55-L86 PolarHBondContact NZ-O 2.65Å |
| 56 | E | 98.6 | Very high | 97.6 | Very high | 117 Ų | 117 | 52.7 Ų | 52.7 | 55% | 0.547 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.8 | -49.1 | 176.5 | -70 | 169.7 | -176.3 | 0 | 0 | 111.9 | Q52 R53 I54 Y58 K59 Q60 | Q52-E56 WeakPolarHBondContact O-CG 3.34Å; Q52-E56 PolarHBondContact O-N 3.35Å; R53-E56 PolarHBondContact O-N 3.41Å; I54-E56 VanDerWaalsContact C-N 3.31Å; I54-E56 PolarHBondContact O-N 2.89Å; E56-Y58 VanDerWaalsContact C-N 3.35Å; E56-Y58 PolarHBondContact O-N 3.42Å; E56-K59 PolarHBondContact O-N 3.18Å; E56-Q60 WeakPolarHBondContact O-CG 3.28Å; E56-Q60 PolarHBondContact O-N 3.2Å |
| 57 | A | 98.6 | Very high | 97.6 | Very high | 12 Ų | 12 | 52.1 Ų | 52.1 | 10% | 0.099 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A18 A22 R53 I54 Q60 T61 | A18-A57 HydrophobicContact CB-CB 3.97Å; A22-A57 HydrophobicContact CB-CB 4.14Å; R53-A57 WeakPolarHBondContact O-CB 3.22Å; R53-A57 PolarHBondContact O-N 2.98Å; I54-A57 PolarHBondContact O-N 2.96Å; A57-Q60 PolarHBondContact O-N 3.09Å; A57-T61 WeakPolarHBondContact O-CB 3.44Å; A57-T61 WeakPolarHBondContact O-CG2 3.49Å; A57-T61 PolarHBondContact O-N 2.91Å; A57-T61 PolarHBondContact O-OG1 2.73Å |
| 58 | Y | 98.6 | Very high | 97.6 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 175.7 | -167.4 | -85.2 | 0 | 0 | 0 | 110.9 | A22 R26 M29 I54 K55 E56 Q60 T61 V62 K64 L66 D69 | A22-Y58 HydrophobicContact CB-CD2 4.14Å; A22-Y58 WeakPolarHBondContact O-CD2 3.48Å; R26-Y58 HydrophobicContact CB-CE2 3.82Å; M29-Y58 HydrophobicContact CE-CE2 3.86Å; M29-Y58 VanDerWaalsContact CE-OH 3.24Å; M29-Y58 WeakPolarHBondContact CE-OH 3.46Å; I54-Y58 VanDerWaalsContact O-CB 3.28Å; I54-Y58 WeakPolarHBondContact O-CB 3.31Å; I54-Y58 PolarHBondContact O-N 3.35Å; K55-Y58 PolarHBondContact O-N 3.18Å; E56-Y58 VanDerWaalsContact C-N 3.35Å; E56-Y58 PolarHBondContact O-N 3.42Å; Y58-Q60 VanDerWaalsContact C-N 3.34Å; Y58-Q60 PolarHBondContact O-N 2.97Å; Y58-T61 PolarHBondContact O-N 3.03Å; Y58-V62 HydrophobicContact CD1-CB 4.03Å; Y58-V62 HydrophobicContact CD1-CG2 4.05Å; Y58-V62 HydrophobicContact CD2-CG2 3.91Å; Y58-V62 HydrophobicContact CE1-CB 3.83Å; Y58-V62 HydrophobicContact CE1-CG1 3.89Å; Y58-V62 HydrophobicContact CE1-CG2 3.98Å; Y58-V62 HydrophobicContact CE2-CG2 3.84Å; Y58-V62 HydrophobicContact CG-CB 4.48Å; Y58-V62 HydrophobicContact CG-CG2 4.01Å; Y58-V62 WeakPolarHBondContact O-CA 3.49Å; Y58-V62 VanDerWaalsContact O-CB 3.22Å; Y58-V62 WeakPolarHBondContact O-CB 3.47Å; Y58-V62 WeakPolarHBondContact O-CG2 3.36Å; Y58-V62 PolarHBondContact O-N 3.28Å; Y58-K64 WeakPolarHBondContact CD1-O 3.15Å; Y58-K64 HydrophobicContact CE1-CB 4.33Å; Y58-L66 HydrophobicContact CD1-CB 3.77Å; Y58-L66 HydrophobicContact CD1-CD1 4.26Å; Y58-L66 HydrophobicContact CD2-CD1 3.77Å; Y58-L66 HydrophobicContact CE1-CB 4.32Å; Y58-L66 HydrophobicContact CE1-CD1 4.31Å; Y58-L66 HydrophobicContact CE2-CD1 3.82Å; Y58-L66 HydrophobicContact CG-CB 3.89Å; Y58-L66 HydrophobicContact CG-CD1 4Å; Y58-L66 HydrophobicContact CG-CG 4.41Å; Y58-D69 WeakPolarHBondContact CE1-OD2 3.34Å; Y58-D69 PolarHBondContact OH-OD2 3.33Å |
| 59 | K | 98.2 | Very high | 97.6 | Very high | 110 Ų | 110 | 57.1 Ų | 57.1 | 48% | 0.478 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 176.2 | -174.8 | 172.1 | -176 | 163.1 | 0 | 112.5 | K55 E56 G63 K64 E65 | K55-K59 WeakPolarHBondContact O-CB 3.21Å; K55-K59 PolarHBondContact O-N 2.8Å; E56-K59 PolarHBondContact O-N 3.18Å; K59-G63 WeakPolarHBondContact O-CA 3.28Å; K59-G63 PolarHBondContact O-N 3.4Å; K59-K64 WeakPolarHBondContact CA-O 3.42Å; K59-E65 VanDerWaalsContact CD-OE1 3.31Å; K59-E65 WeakPolarHBondContact CD-OE1 3.26Å; K59-E65 WeakPolarHBondContact CE-OE1 3.47Å; K59-E65 IonicContact NZ-OE1 2.96Å; K59-E65 PolarHBondContact NZ-OE1 3.29Å |
| 60 | Q | 97.5 | Very high | 97.7 | Very high | 162 Ų | 162 | 54.5 Ų | 54.5 | 76% | 0.757 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -67.2 | -37.2 | 179.7 | -71.7 | 173.5 | 5.7 | 0 | 0 | 113.2 | E56 A57 Y58 | E56-Q60 WeakPolarHBondContact O-CG 3.28Å; E56-Q60 PolarHBondContact O-N 3.2Å; A57-Q60 PolarHBondContact O-N 3.09Å; Y58-Q60 VanDerWaalsContact C-N 3.34Å; Y58-Q60 PolarHBondContact O-N 2.97Å |
| 61 | T | 94.4 | Very high | 97.6 | Very high | 69 Ų | 69 | 56.1 Ų | 56.1 | 42% | 0.423 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -96.5 | -29 | -172.5 | 57.2 | 0 | 0 | 0 | 0 | 113.9 | A57 Y58 | A57-T61 WeakPolarHBondContact O-CB 3.44Å; A57-T61 WeakPolarHBondContact O-CG2 3.49Å; A57-T61 PolarHBondContact O-N 2.91Å; A57-T61 PolarHBondContact O-OG1 2.73Å; Y58-T61 PolarHBondContact O-N 3.03Å |
| 62 | V | 93.8 | Very high | 97.5 | Very high | 30 Ų | 30 | 59.6 Ų | 59.6 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -103.3 | -24.9 | -178.3 | -168.6 | 0 | 0 | 0 | 0 | 111.7 | R26 Y58 K64 | R26-V62 HydrophobicContact CB-CG2 4.41Å; R26-V62 HydrophobicContact CG-CG2 4.28Å; Y58-V62 HydrophobicContact CD1-CB 4.03Å; Y58-V62 HydrophobicContact CD1-CG2 4.05Å; Y58-V62 HydrophobicContact CD2-CG2 3.91Å; Y58-V62 HydrophobicContact CE1-CB 3.83Å; Y58-V62 HydrophobicContact CE1-CG1 3.89Å; Y58-V62 HydrophobicContact CE1-CG2 3.98Å; Y58-V62 HydrophobicContact CE2-CG2 3.84Å; Y58-V62 HydrophobicContact CG-CB 4.48Å; Y58-V62 HydrophobicContact CG-CG2 4.01Å; Y58-V62 WeakPolarHBondContact O-CA 3.49Å; Y58-V62 VanDerWaalsContact O-CB 3.22Å; Y58-V62 WeakPolarHBondContact O-CB 3.47Å; Y58-V62 WeakPolarHBondContact O-CG2 3.36Å; Y58-V62 PolarHBondContact O-N 3.28Å; V62-K64 VanDerWaalsContact C-N 3.3Å; V62-K64 HydrophobicContact CG1-CB 4.43Å; V62-K64 HydrophobicContact CG1-CG 4.48Å |
| 63 | G | 95.1 | Very high | 97.5 | Very high | 64 Ų | 64 | 61.1 Ų | 61.1 | 66% | 0.66 | 32% | 0.324 | S | S | * | . | S | Bend | trans | 78.1 | 12.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | K59 | K59-G63 WeakPolarHBondContact O-CA 3.28Å; K59-G63 PolarHBondContact O-N 3.4Å |
| 64 | K | 95.6 | Very high | 97.4 | Very high | 111 Ų | 111 | 55.3 Ų | 55.3 | 48% | 0.483 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -129.6 | 159.5 | -177.7 | -65.3 | -173.9 | 174 | -174 | 0 | 111.7 | Y58 K59 V62 D69 | Y58-K64 WeakPolarHBondContact CD1-O 3.15Å; Y58-K64 HydrophobicContact CE1-CB 4.33Å; K59-K64 WeakPolarHBondContact CA-O 3.42Å; V62-K64 VanDerWaalsContact C-N 3.3Å; V62-K64 HydrophobicContact CG1-CB 4.43Å; V62-K64 HydrophobicContact CG1-CG 4.48Å; K64-D69 WeakPolarHBondContact CD-OD1 3.42Å; K64-D69 VanDerWaalsContact CD-OD2 3.25Å; K64-D69 WeakPolarHBondContact CD-OD2 3.39Å; K64-D69 IonicContact NZ-OD1 2.93Å; K64-D69 PolarHBondContact NZ-OD1 2.93Å; K64-D69 IonicContact NZ-OD2 3.88Å |
| 65 | E | 97.9 | Very high | 97.4 | Very high | 73 Ų | 73 | 59.9 Ų | 59.9 | 34% | 0.341 | 34% | 0.335 | S | S | . | . | trans | -77 | 124.3 | 171.2 | -63.8 | -61.9 | 155.2 | 0 | 0 | 110.2 | K59 A67 D68 D69 | K59-E65 VanDerWaalsContact CD-OE1 3.31Å; K59-E65 WeakPolarHBondContact CD-OE1 3.26Å; K59-E65 WeakPolarHBondContact CE-OE1 3.47Å; K59-E65 IonicContact NZ-OE1 2.96Å; K59-E65 PolarHBondContact NZ-OE1 3.29Å; E65-A67 VanDerWaalsContact C-N 3.25Å; E65-A67 PolarHBondContact O-N 3.12Å; E65-D68 HydrophobicContact CB-CB 4.15Å; E65-D68 WeakPolarHBondContact CB-OD2 3.2Å; E65-D68 PolarHBondContact O-N 3.41Å; E65-D68 VanDerWaalsContact O-N 3.08Å; E65-D69 PolarHBondContact O-N 3.26Å | ||
| 66 | L | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.2 | -39.1 | -179.4 | 174.1 | 60.3 | 0 | 0 | 0 | 112.5 | L25 M29 I54 K55 Y58 D68 L70 L86 | L25-L66 HydrophobicContact CB-CD1 4.3Å; L25-L66 HydrophobicContact CD1-CD1 4.03Å; L25-L66 HydrophobicContact CD1-CD2 3.82Å; M29-L66 HydrophobicContact CE-CD1 3.95Å; I54-L66 HydrophobicContact CG2-CD2 3.96Å; K55-L66 HydrophobicContact CG-CB 4.31Å; K55-L66 HydrophobicContact CG-CD2 3.96Å; Y58-L66 HydrophobicContact CD1-CB 3.77Å; Y58-L66 HydrophobicContact CD1-CD1 4.26Å; Y58-L66 HydrophobicContact CD2-CD1 3.77Å; Y58-L66 HydrophobicContact CE1-CB 4.32Å; Y58-L66 HydrophobicContact CE1-CD1 4.31Å; Y58-L66 HydrophobicContact CE2-CD1 3.82Å; Y58-L66 HydrophobicContact CG-CB 3.89Å; Y58-L66 HydrophobicContact CG-CD1 4Å; Y58-L66 HydrophobicContact CG-CG 4.41Å; L66-D68 VanDerWaalsContact C-N 3.29Å; L66-D68 PolarHBondContact O-N 3.21Å; L66-L70 HydrophobicContact CD1-CD1 3.69Å; L66-L70 HydrophobicContact CD1-CG 4.01Å; L66-L70 HydrophobicContact CD2-CD1 4.46Å; L66-L70 HydrophobicContact CG-CD1 3.76Å; L66-L70 HydrophobicContact CG-CG 4.49Å; L66-L70 WeakPolarHBondContact O-CB 3.49Å; L66-L70 WeakPolarHBondContact O-CG 3.44Å; L66-L70 PolarHBondContact O-N 3.27Å; L66-L86 HydrophobicContact CD2-CD1 4.38Å; L66-L86 HydrophobicContact CD2-CD2 4.21Å; L66-L86 HydrophobicContact CG-CD1 4.23Å |
| 67 | A | 98.1 | Very high | 97.3 | Very high | 29 Ų | 29 | 57.1 Ų | 57.1 | 24% | 0.24 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.4 | -33.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E65 S71 L83 L86 | E65-A67 VanDerWaalsContact C-N 3.25Å; E65-A67 PolarHBondContact O-N 3.12Å; A67-S71 WeakPolarHBondContact O-CB 3.47Å; A67-S71 PolarHBondContact O-N 2.84Å; A67-L83 HydrophobicContact CB-CD2 4.3Å; A67-L83 WeakPolarHBondContact O-CD2 3.49Å; A67-L86 HydrophobicContact CB-CD1 4.1Å |
| 68 | D | 98.1 | Very high | 97.3 | Very high | 108 Ų | 108 | 57.3 Ų | 57.3 | 58% | 0.578 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -73.7 | -44.8 | -179.7 | -67.5 | -16.3 | 0 | 0 | 0 | 111 | E65 L66 S71 S72 | E65-D68 HydrophobicContact CB-CB 4.15Å; E65-D68 WeakPolarHBondContact CB-OD2 3.2Å; E65-D68 PolarHBondContact O-N 3.41Å; E65-D68 VanDerWaalsContact O-N 3.08Å; L66-D68 VanDerWaalsContact C-N 3.29Å; L66-D68 PolarHBondContact O-N 3.21Å; D68-S71 WeakPolarHBondContact O-CB 3.47Å; D68-S71 PolarHBondContact O-N 3.07Å; D68-S72 PolarHBondContact O-N 3Å |
| 69 | D | 97.6 | Very high | 97.3 | Very high | 19 Ų | 19 | 59.7 Ų | 59.7 | 10% | 0.102 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62 | -47.5 | 174.8 | -83 | -16.7 | 0 | 0 | 0 | 110.8 | M29 Y58 K64 E65 S71 S72 E73 | M29-D69 HydrophobicContact CE-CB 4.05Å; M29-D69 HydrophobicContact SD-CB 3.94Å; Y58-D69 WeakPolarHBondContact CE1-OD2 3.34Å; Y58-D69 PolarHBondContact OH-OD2 3.33Å; K64-D69 WeakPolarHBondContact CD-OD1 3.42Å; K64-D69 VanDerWaalsContact CD-OD2 3.25Å; K64-D69 WeakPolarHBondContact CD-OD2 3.39Å; K64-D69 IonicContact NZ-OD1 2.93Å; K64-D69 PolarHBondContact NZ-OD1 2.93Å; K64-D69 IonicContact NZ-OD2 3.88Å; E65-D69 PolarHBondContact O-N 3.26Å; D69-S71 PolarHBondContact O-N 2.79Å; D69-S72 PolarHBondContact O-N 2.61Å; D69-S72 VanDerWaalsContact O-N 3.08Å; D69-S72 PolarHBondContact O-OG 3.46Å; D69-E73 WeakPolarHBondContact O-CG 3.31Å; D69-E73 PolarHBondContact O-N 2.81Å; D69-E73 VanDerWaalsContact O-N 3.07Å |
| 70 | L | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.7 | -33.4 | 175.7 | -74 | 164.9 | 0 | 0 | 0 | 112.1 | M29 I39 L43 L66 L74 V82 L83 L86 | M29-L70 HydrophobicContact CE-CD2 4.33Å; M29-L70 HydrophobicContact CE-CG 4.33Å; M29-L70 HydrophobicContact CG-CD2 4.45Å; M29-L70 HydrophobicContact SD-CB 4.45Å; M29-L70 HydrophobicContact SD-CD2 3.59Å; M29-L70 VanDerWaalsContact SD-CD2 3.59Å; M29-L70 HydrophobicContact SD-CG 3.8Å; I39-L70 HydrophobicContact CD1-CD2 3.69Å; I39-L70 HydrophobicContact CG1-CD2 4.1Å; I39-L70 HydrophobicContact CG2-CD2 4.08Å; L43-L70 HydrophobicContact CD1-CD1 4.03Å; L66-L70 HydrophobicContact CD1-CD1 3.69Å; L66-L70 HydrophobicContact CD1-CG 4.01Å; L66-L70 HydrophobicContact CD2-CD1 4.46Å; L66-L70 HydrophobicContact CG-CD1 3.76Å; L66-L70 HydrophobicContact CG-CG 4.49Å; L66-L70 WeakPolarHBondContact O-CB 3.49Å; L66-L70 WeakPolarHBondContact O-CG 3.44Å; L66-L70 PolarHBondContact O-N 3.27Å; L70-L74 HydrophobicContact CB-CD1 4.37Å; L70-L74 HydrophobicContact CD2-CD1 4.08Å; L70-L74 VanDerWaalsContact O-CB 3.24Å; L70-L74 WeakPolarHBondContact O-CB 3.24Å; L70-L74 VanDerWaalsContact O-CG 3.22Å; L70-L74 WeakPolarHBondContact O-CG 3.33Å; L70-L74 PolarHBondContact O-N 2.64Å; L70-V82 HydrophobicContact CB-CG1 4.28Å; L70-V82 HydrophobicContact CD1-CG1 3.82Å; L70-V82 HydrophobicContact CD2-CG1 4.16Å; L70-V82 HydrophobicContact CG-CG1 4.33Å; L70-L83 HydrophobicContact CB-CD2 4.24Å; L70-L86 HydrophobicContact CD1-CD1 3.66Å |
| 71 | S | 97.9 | Very high | 97.4 | Very high | 39 Ų | 39 | 49.5 Ų | 49.5 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68.1 | -34 | 176.2 | -175.6 | 0 | 0 | 0 | 0 | 112.1 | A67 D68 D69 K79 | A67-S71 WeakPolarHBondContact O-CB 3.47Å; A67-S71 PolarHBondContact O-N 2.84Å; D68-S71 WeakPolarHBondContact O-CB 3.47Å; D68-S71 PolarHBondContact O-N 3.07Å; D69-S71 PolarHBondContact O-N 2.79Å; S71-K79 WeakPolarHBondContact O-CE 3.48Å; S71-K79 PolarHBondContact O-NZ 2.92Å; S71-K79 WeakPolarHBondContact OG-CE 3.5Å; S71-K79 PolarHBondContact OG-NZ 3.4Å |
| 72 | S | 96.8 | Very high | 97.6 | Very high | 80 Ų | 80 | 46.2 Ų | 46.2 | 56% | 0.559 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -75.4 | -32.6 | 176.3 | 63.3 | 0 | 0 | 0 | 0 | 113.1 | D68 D69 | D68-S72 PolarHBondContact O-N 3Å; D69-S72 PolarHBondContact O-N 2.61Å; D69-S72 VanDerWaalsContact O-N 3.08Å; D69-S72 PolarHBondContact O-OG 3.46Å |
| 73 | E | 97.5 | Very high | 97.9 | Very high | 71 Ų | 71 | 45.9 Ų | 45.9 | 33% | 0.332 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -85.3 | -24.9 | -176.8 | -64.7 | -46.3 | 126.9 | 0 | 0 | 114.3 | M29 T34 D69 | M29-E73 HydrophobicContact CB-CG 3.86Å; M29-E73 HydrophobicContact CG-CB 4.31Å; M29-E73 HydrophobicContact CG-CG 3.81Å; M29-E73 HydrophobicContact SD-CB 4.5Å; M29-E73 HydrophobicContact SD-CG 4.02Å; T34-E73 HydrophobicContact CG2-CB 4.2Å; T34-E73 PolarHBondContact OG1-O 3.36Å; D69-E73 WeakPolarHBondContact O-CG 3.31Å; D69-E73 PolarHBondContact O-N 2.81Å; D69-E73 VanDerWaalsContact O-N 3.07Å |
| 74 | L | 98 | Very high | 98 | Very high | 13 Ų | 13 | 43 Ų | 43 | 7% | 0.068 | 25% | 0.254 | C | S | . | . | trans | -107.7 | 162.8 | -173.1 | -55.7 | -180 | 0 | 0 | 0 | 112.4 | T34 E36 I39 L70 F78 K79 V82 | T34-L74 HydrophobicContact CG2-CD2 3.83Å; E36-L74 HydrophobicContact CG-CD2 4.2Å; I39-L74 HydrophobicContact CD1-CD1 4.4Å; I39-L74 HydrophobicContact CD1-CD2 4.02Å; L70-L74 HydrophobicContact CB-CD1 4.37Å; L70-L74 HydrophobicContact CD2-CD1 4.08Å; L70-L74 VanDerWaalsContact O-CB 3.24Å; L70-L74 WeakPolarHBondContact O-CB 3.24Å; L70-L74 VanDerWaalsContact O-CG 3.22Å; L70-L74 WeakPolarHBondContact O-CG 3.33Å; L70-L74 PolarHBondContact O-N 2.64Å; L74-F78 HydrophobicContact CD1-CD1 4.02Å; L74-F78 HydrophobicContact CD1-CE1 3.81Å; L74-F78 HydrophobicContact CD2-CD1 3.86Å; L74-F78 HydrophobicContact CD2-CE1 3.66Å; L74-F78 HydrophobicContact CG-CD1 4.39Å; L74-F78 HydrophobicContact CG-CE1 4.34Å; L74-K79 HydrophobicContact CB-CB 3.69Å; L74-K79 HydrophobicContact CB-CD 4.45Å; L74-K79 HydrophobicContact CB-CG 4.12Å; L74-K79 WeakPolarHBondContact O-CD 3.12Å; L74-V82 HydrophobicContact CD1-CB 3.88Å; L74-V82 HydrophobicContact CD1-CG1 3.67Å; L74-V82 HydrophobicContact CD1-CG2 3.94Å | ||
| 75 | S | 97.2 | Very high | 98.2 | Very high | 97 Ų | 97 | 37.7 Ų | 37.7 | 68% | 0.678 | 23% | 0.232 | S | C | * | . | trans | -144.2 | 170 | 174 | 67.8 | 0 | 0 | 0 | 0 | 112.5 | K79 | S75-K79 PolarHBondContact O-N 2.78Š| ||
| 76 | G | 98 | Very high | 98.2 | Very high | 52 Ų | 52 | 34.4 Ų | 34.4 | 54% | 0.536 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | 57.9 | -151.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | F78 K79 S80 | G76-F78 VanDerWaalsContact C-N 3.31Å; G76-F78 PolarHBondContact O-N 3.17Å; G76-K79 WeakPolarHBondContact O-CB 3.46Å; G76-K79 PolarHBondContact O-N 3.36Å; G76-S80 PolarHBondContact O-N 3.11Å; G76-S80 PolarHBondContact O-OG 3.01Å |
| 77 | N | 98.4 | Very high | 98.2 | Very high | 56 Ų | 56 | 36.5 Ų | 36.5 | 30% | 0.299 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.8 | -32.1 | -175.2 | -67.7 | -16.1 | 0 | 0 | 0 | 113.3 | S80 V81 D268 I272 Y310 | N77-S80 WeakPolarHBondContact O-CB 3.4Å; N77-S80 PolarHBondContact O-N 3.35Å; N77-V81 WeakPolarHBondContact O-CG2 3.24Å; N77-V81 PolarHBondContact O-N 3.19Å; N77-D268 PolarHBondContact ND2-OD1 3.39Å; N77-D268 PolarHBondContact ND2-OD2 3.14Å; N77-I272 HydrophobicContact CB-CD1 3.88Å; N77-Y310 HydrophobicContact CB-CD1 3.88Å; N77-Y310 HydrophobicContact CB-CD2 3.71Å; N77-Y310 HydrophobicContact CB-CE1 3.98Å; N77-Y310 HydrophobicContact CB-CE2 3.83Å; N77-Y310 HydrophobicContact CB-CG 3.73Å |
| 78 | F | 98.6 | Very high | 98.2 | Very high | 16 Ų | 16 | 38.8 Ų | 38.8 | 7% | 0.07 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.9 | -45.7 | 175.9 | -178.4 | -110.6 | 0 | 0 | 0 | 111.3 | E36 I39 T40 L74 G76 S80 V81 V82 D309 I313 | E36-F78 HydrophobicContact CB-CD1 4.46Å; E36-F78 HydrophobicContact CB-CE1 3.67Å; E36-F78 HydrophobicContact CB-CZ 3.76Å; E36-F78 HydrophobicContact CG-CD1 4.04Å; E36-F78 HydrophobicContact CG-CE1 3.56Å; E36-F78 HydrophobicContact CG-CZ 4.19Å; I39-F78 HydrophobicContact CG2-CZ 4.29Å; T40-F78 WeakPolarHBondContact OG1-CE2 3.42Å; L74-F78 HydrophobicContact CD1-CD1 4.02Å; L74-F78 HydrophobicContact CD1-CE1 3.81Å; L74-F78 HydrophobicContact CD2-CD1 3.86Å; L74-F78 HydrophobicContact CD2-CE1 3.66Å; L74-F78 HydrophobicContact CG-CD1 4.39Å; L74-F78 HydrophobicContact CG-CE1 4.34Å; G76-F78 VanDerWaalsContact C-N 3.31Å; G76-F78 PolarHBondContact O-N 3.17Å; F78-S80 VanDerWaalsContact C-N 3.32Å; F78-S80 PolarHBondContact O-N 3.05Å; F78-V81 PolarHBondContact O-N 3.41Å; F78-V82 HydrophobicContact CD1-CG2 4.39Å; F78-V82 HydrophobicContact CD2-CG2 4.46Å; F78-V82 HydrophobicContact CE1-CG2 3.97Å; F78-V82 HydrophobicContact CE2-CG2 4.06Å; F78-V82 HydrophobicContact CZ-CG2 3.79Å; F78-V82 WeakPolarHBondContact O-CG2 3.35Å; F78-V82 PolarHBondContact O-N 2.88Å; F78-D309 HydrophobicContact CD2-CB 3.87Å; F78-D309 WeakPolarHBondContact CD2-O 3.41Å; F78-D309 HydrophobicContact CE2-CB 3.96Å; F78-D309 HydrophobicContact CG-CB 4.21Å; F78-D309 HydrophobicContact CZ-CB 4.39Å; F78-I313 HydrophobicContact CD2-CB 4.35Å; F78-I313 HydrophobicContact CD2-CG2 3.73Å; F78-I313 HydrophobicContact CE2-CB 3.98Å; F78-I313 HydrophobicContact CE2-CD1 3.97Å; F78-I313 HydrophobicContact CE2-CG2 3.88Å |
| 79 | K | 98.7 | Very high | 98.1 | Very high | 54 Ų | 54 | 35.5 Ų | 35.5 | 24% | 0.235 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.4 | -45.7 | 172.4 | 174.9 | 174.9 | 173.9 | 164.1 | 0 | 111.8 | S71 L74 S75 G76 V81 V82 L83 | S71-K79 WeakPolarHBondContact O-CE 3.48Å; S71-K79 PolarHBondContact O-NZ 2.92Å; S71-K79 WeakPolarHBondContact OG-CE 3.5Å; S71-K79 PolarHBondContact OG-NZ 3.4Å; L74-K79 HydrophobicContact CB-CB 3.69Å; L74-K79 HydrophobicContact CB-CD 4.45Å; L74-K79 HydrophobicContact CB-CG 4.12Å; L74-K79 WeakPolarHBondContact O-CD 3.12Å; S75-K79 PolarHBondContact O-N 2.78Å; G76-K79 WeakPolarHBondContact O-CB 3.46Å; G76-K79 PolarHBondContact O-N 3.36Å; K79-V81 VanDerWaalsContact C-N 3.35Å; K79-V81 PolarHBondContact O-N 2.93Å; K79-V82 PolarHBondContact O-N 3.08Å; K79-L83 HydrophobicContact CD-CD1 4.35Å; K79-L83 HydrophobicContact CG-CD1 3.76Å; K79-L83 HydrophobicContact CG-CG 4.12Å; K79-L83 WeakPolarHBondContact O-CB 3.41Å; K79-L83 WeakPolarHBondContact O-CG 3.25Å; K79-L83 PolarHBondContact O-N 3.25Å |
| 80 | S | 98.6 | Very high | 98.1 | Very high | 57 Ų | 57 | 36 Ų | 36 | 40% | 0.399 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60 | -43.6 | -179.3 | -60.4 | 0 | 0 | 0 | 0 | 112.2 | G76 N77 F78 G84 | G76-S80 PolarHBondContact O-N 3.11Å; G76-S80 PolarHBondContact O-OG 3.01Å; N77-S80 WeakPolarHBondContact O-CB 3.4Å; N77-S80 PolarHBondContact O-N 3.35Å; F78-S80 VanDerWaalsContact C-N 3.32Å; F78-S80 PolarHBondContact O-N 3.05Å; S80-G84 PolarHBondContact O-N 3.08Å |
| 81 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.1 | -54.1 | 173.8 | 179.6 | 0 | 0 | 0 | 0 | 110.2 | N77 F78 K79 L83 G84 L85 I272 V276 Y310 I313 L314 L317 | N77-V81 WeakPolarHBondContact O-CG2 3.24Å; N77-V81 PolarHBondContact O-N 3.19Å; F78-V81 PolarHBondContact O-N 3.41Å; K79-V81 VanDerWaalsContact C-N 3.35Å; K79-V81 PolarHBondContact O-N 2.93Å; V81-L83 VanDerWaalsContact C-N 3.34Å; V81-L83 PolarHBondContact O-N 3.43Å; V81-G84 PolarHBondContact O-N 3.07Å; V81-L85 HydrophobicContact CG1-CD1 3.95Å; V81-L85 HydrophobicContact CG1-CG 4.18Å; V81-L85 WeakPolarHBondContact O-CB 3.44Å; V81-L85 VanDerWaalsContact O-CG 3.27Å; V81-L85 WeakPolarHBondContact O-CG 3.33Å; V81-L85 PolarHBondContact O-N 3.03Å; V81-I272 HydrophobicContact CG2-CB 4.35Å; V81-I272 HydrophobicContact CG2-CD1 4.26Å; V81-I272 HydrophobicContact CG2-CG1 3.77Å; V81-I272 HydrophobicContact CG2-CG2 3.88Å; V81-V276 HydrophobicContact CG1-CG2 4.22Å; V81-Y310 HydrophobicContact CG2-CD2 3.99Å; V81-Y310 HydrophobicContact CG2-CE2 3.9Å; V81-I313 HydrophobicContact CB-CG2 4.17Å; V81-I313 HydrophobicContact CG1-CD1 3.82Å; V81-I313 HydrophobicContact CG1-CG1 3.96Å; V81-I313 HydrophobicContact CG1-CG2 3.88Å; V81-I313 HydrophobicContact CG2-CG2 4.32Å; V81-L314 HydrophobicContact CG2-CD2 4.01Å; V81-L317 HydrophobicContact CG1-CD1 3.82Å |
| 82 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.3 | -44 | -175.9 | 164.5 | 0 | 0 | 0 | 0 | 112.4 | I39 L43 L70 L74 F78 K79 L85 I313 | I39-V82 HydrophobicContact CG2-CG1 4.2Å; I39-V82 HydrophobicContact CG2-CG2 3.91Å; L43-V82 HydrophobicContact CD1-CG1 3.69Å; L70-V82 HydrophobicContact CB-CG1 4.28Å; L70-V82 HydrophobicContact CD1-CG1 3.82Å; L70-V82 HydrophobicContact CD2-CG1 4.16Å; L70-V82 HydrophobicContact CG-CG1 4.33Å; L74-V82 HydrophobicContact CD1-CB 3.88Å; L74-V82 HydrophobicContact CD1-CG1 3.67Å; L74-V82 HydrophobicContact CD1-CG2 3.94Å; F78-V82 HydrophobicContact CD1-CG2 4.39Å; F78-V82 HydrophobicContact CD2-CG2 4.46Å; F78-V82 HydrophobicContact CE1-CG2 3.97Å; F78-V82 HydrophobicContact CE2-CG2 4.06Å; F78-V82 HydrophobicContact CZ-CG2 3.79Å; F78-V82 WeakPolarHBondContact O-CG2 3.35Å; F78-V82 PolarHBondContact O-N 2.88Å; K79-V82 PolarHBondContact O-N 3.08Å; V82-L85 WeakPolarHBondContact O-CB 3.43Å; V82-L85 PolarHBondContact O-N 2.87Å; V82-I313 HydrophobicContact CG2-CD1 3.82Å |
| 83 | L | 98.8 | Very high | 98.2 | Very high | 24 Ų | 24 | 33.5 Ų | 33.5 | 13% | 0.126 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -71.2 | -38.8 | 179 | -65.6 | -177 | 0 | 0 | 0 | 112.1 | A67 L70 K79 V81 L85 L86 | A67-L83 HydrophobicContact CB-CD2 4.3Å; A67-L83 WeakPolarHBondContact O-CD2 3.49Å; L70-L83 HydrophobicContact CB-CD2 4.24Å; K79-L83 HydrophobicContact CD-CD1 4.35Å; K79-L83 HydrophobicContact CG-CD1 3.76Å; K79-L83 HydrophobicContact CG-CG 4.12Å; K79-L83 WeakPolarHBondContact O-CB 3.41Å; K79-L83 WeakPolarHBondContact O-CG 3.25Å; K79-L83 PolarHBondContact O-N 3.25Å; V81-L83 VanDerWaalsContact C-N 3.34Å; V81-L83 PolarHBondContact O-N 3.43Å; L83-L85 VanDerWaalsContact C-N 3.29Å; L83-L85 PolarHBondContact O-N 3.22Å; L83-L86 PolarHBondContact O-N 3.26Å; L83-L86 VanDerWaalsContact O-N 3.08Å |
| 84 | G | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.8 | -40.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S80 V81 L86 M87 | S80-G84 PolarHBondContact O-N 3.08Å; V81-G84 PolarHBondContact O-N 3.07Å; G84-L86 PolarHBondContact O-N 3.08Å; G84-L86 VanDerWaalsContact O-N 3.11Å; G84-M87 PolarHBondContact O-N 3.12Å; G84-M87 VanDerWaalsContact O-N 3.08Å |
| 85 | L | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -18.4 | 175.3 | -74.7 | -176.2 | 0 | 0 | 0 | 113.9 | L43 I48 R51 V81 V82 L83 V276 I313 L317 | L43-L85 HydrophobicContact CB-CD1 4.39Å; I48-L85 WeakPolarHBondContact CD1-O 3.43Å; R51-L85 VanDerWaalsContact CD-O 3.31Å; R51-L85 WeakPolarHBondContact CD-O 3.45Å; R51-L85 PolarHBondContact NE-O 2.63Å; R51-L85 VanDerWaalsContact NH1-CG 3.3Å; R51-L85 PolarHBondContact NH1-O 3.17Å; R51-L85 PolarHBondContact NH2-O 3.4Å; V81-L85 HydrophobicContact CG1-CD1 3.95Å; V81-L85 HydrophobicContact CG1-CG 4.18Å; V81-L85 WeakPolarHBondContact O-CB 3.44Å; V81-L85 VanDerWaalsContact O-CG 3.27Å; V81-L85 WeakPolarHBondContact O-CG 3.33Å; V81-L85 PolarHBondContact O-N 3.03Å; V82-L85 WeakPolarHBondContact O-CB 3.43Å; V82-L85 PolarHBondContact O-N 2.87Å; L83-L85 VanDerWaalsContact C-N 3.29Å; L83-L85 PolarHBondContact O-N 3.22Å; L85-V276 HydrophobicContact CD2-CB 4.49Å; L85-V276 HydrophobicContact CD2-CG1 4.25Å; L85-V276 HydrophobicContact CD2-CG2 4.13Å; L85-V276 HydrophobicContact CG-CG2 4.37Å; L85-I313 HydrophobicContact CD1-CD1 3.81Å; L85-I313 HydrophobicContact CD1-CG1 4.35Å; L85-L317 HydrophobicContact CD1-CD1 4.34Å; L85-L317 HydrophobicContact CD1-CD2 4.22Å; L85-L317 HydrophobicContact CD2-CD1 3.93Å; L85-L317 HydrophobicContact CD2-CD2 3.74Å; L85-L317 HydrophobicContact CD2-CG 4.49Å |
| 86 | L | 98.7 | Very high | 98.4 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -4 | 177.7 | -65.1 | -178.3 | 0 | 0 | 0 | 114.3 | L43 R51 Q52 K55 L66 A67 L70 L83 G84 | L43-L86 HydrophobicContact CD1-CD2 4.36Å; L43-L86 HydrophobicContact CD2-CD2 3.87Å; R51-L86 HydrophobicContact CB-CD2 4.34Å; Q52-L86 PolarHBondContact NE2-O 2.88Å; K55-L86 HydrophobicContact CD-CB 4.17Å; K55-L86 HydrophobicContact CD-CD2 4.24Å; K55-L86 HydrophobicContact CG-CD2 4.26Å; K55-L86 PolarHBondContact NZ-O 2.65Å; L66-L86 HydrophobicContact CD2-CD1 4.38Å; L66-L86 HydrophobicContact CD2-CD2 4.21Å; L66-L86 HydrophobicContact CG-CD1 4.23Å; A67-L86 HydrophobicContact CB-CD1 4.1Å; L70-L86 HydrophobicContact CD1-CD1 3.66Å; L83-L86 PolarHBondContact O-N 3.26Å; L83-L86 VanDerWaalsContact O-N 3.08Å; G84-L86 PolarHBondContact O-N 3.08Å; G84-L86 VanDerWaalsContact O-N 3.11Å |
| 87 | M | 98.4 | Very high | 98.4 | Very high | 46 Ų | 46 | 28.1 Ų | 28.1 | 23% | 0.227 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -100 | 134 | -176.2 | -63.2 | -173.9 | -170.4 | 0 | 0 | 111.1 | I48 G84 V91 Y92 Y95 | I48-M87 VanDerWaalsContact CD1-O 3.24Å; I48-M87 WeakPolarHBondContact CD1-O 3.49Å; G84-M87 PolarHBondContact O-N 3.12Å; G84-M87 VanDerWaalsContact O-N 3.08Å; M87-V91 HydrophobicContact CB-CB 4.48Å; M87-V91 HydrophobicContact CB-CG1 4.36Å; M87-V91 HydrophobicContact CG-CG1 4.46Å; M87-V91 HydrophobicContact SD-CG1 4.48Å; M87-Y92 HydrophobicContact CB-CD2 4.31Å; M87-Y92 HydrophobicContact CB-CG 4.48Å; M87-Y92 HydrophobicContact SD-CD2 3.95Å; M87-Y95 HydrophobicContact CE-CD1 4.26Å; M87-Y95 HydrophobicContact CE-CD2 4.04Å; M87-Y95 HydrophobicContact CE-CE1 4.4Å; M87-Y95 HydrophobicContact CE-CE2 4.18Å; M87-Y95 HydrophobicContact CE-CG 4.07Å; M87-Y95 HydrophobicContact SD-CD1 4.12Å; M87-Y95 HydrophobicContact SD-CD2 4.42Å; M87-Y95 HydrophobicContact SD-CG 3.92Å |
| 88 | L | 97.7 | Very high | 98.4 | Very high | 76 Ų | 76 | 30 Ų | 30 | 40% | 0.398 | 16% | 0.156 | S | C | . | . | trans | -59.6 | 143.4 | 168.3 | -66.9 | 171.9 | 0 | 0 | 0 | 109.2 | I48 Q52 P90 V91 Y92 | I48-L88 HydrophobicContact CG1-CD2 3.93Å; Q52-L88 HydrophobicContact CG-CD2 3.87Å; Q52-L88 HydrophobicContact CG-CG 4.35Å; L88-P90 VanDerWaalsContact O-N 3.16Å; L88-V91 HydrophobicContact CB-CB 4.46Å; L88-V91 HydrophobicContact CB-CG2 4.16Å; L88-V91 CarbonylContact O-C 3.57Å; L88-V91 WeakPolarHBondContact O-CA 3.34Å; L88-V91 VanDerWaalsContact O-CB 3.31Å; L88-V91 WeakPolarHBondContact O-CB 3.5Å; L88-V91 PolarHBondContact O-N 3.47Å; L88-Y92 PolarHBondContact O-N 3.07Å | ||
| 89 | A | 96.5 | Very high | 98.3 | Very high | 39 Ų | 39 | 32 Ų | 32 | 32% | 0.322 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -43.1 | -52 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | A2 V91 Y92 D93 | A2-A89 HydrophobicContact CB-CB 4.07Å; A89-V91 VanDerWaalsContact C-N 3.29Å; A89-V91 PolarHBondContact O-N 3.17Å; A89-Y92 PolarHBondContact O-N 2.86Å; A89-D93 PolarHBondContact O-N 3.29Å |
| 90 | P | 97.2 | Very high | 98.3 | Very high | 31 Ų | 31 | 29.6 Ų | 29.6 | 20% | 0.201 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.4 | -25.8 | 178.6 | 27.6 | -36.5 | 0 | 0 | 0 | 113.9 | L88 A94 T125 I126 V129 | L88-P90 VanDerWaalsContact O-N 3.16Å; P90-A94 VanDerWaalsContact O-CB 3.3Å; P90-A94 WeakPolarHBondContact O-CB 3.45Å; P90-A94 PolarHBondContact O-N 3.5Å; P90-A94 VanDerWaalsContact O-N 3.12Å; P90-T125 HydrophobicContact CB-CG2 3.61Å; P90-T125 HydrophobicContact CG-CG2 3.84Å; P90-I126 HydrophobicContact CB-CG1 4.28Å; P90-V129 HydrophobicContact CB-CG2 4.24Å |
| 91 | V | 98.4 | Very high | 98.2 | Very high | 56 Ų | 56 | 27.5 Ų | 27.5 | 34% | 0.339 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -72.8 | -41.9 | 172.7 | -180 | 0 | 0 | 0 | 0 | 110.4 | M87 L88 A89 A94 Y95 V129 | M87-V91 HydrophobicContact CB-CB 4.48Å; M87-V91 HydrophobicContact CB-CG1 4.36Å; M87-V91 HydrophobicContact CG-CG1 4.46Å; M87-V91 HydrophobicContact SD-CG1 4.48Å; L88-V91 HydrophobicContact CB-CB 4.46Å; L88-V91 HydrophobicContact CB-CG2 4.16Å; L88-V91 CarbonylContact O-C 3.57Å; L88-V91 WeakPolarHBondContact O-CA 3.34Å; L88-V91 VanDerWaalsContact O-CB 3.31Å; L88-V91 WeakPolarHBondContact O-CB 3.5Å; L88-V91 PolarHBondContact O-N 3.47Å; A89-V91 VanDerWaalsContact C-N 3.29Å; A89-V91 PolarHBondContact O-N 3.17Å; V91-A94 PolarHBondContact O-N 3.45Å; V91-Y95 VanDerWaalsContact O-CB 3.27Å; V91-Y95 WeakPolarHBondContact O-CB 3.3Å; V91-Y95 PolarHBondContact O-N 3.35Å; V91-V129 HydrophobicContact CB-CG1 4.45Å; V91-V129 HydrophobicContact CG2-CG1 4.03Å |
| 92 | Y | 98.6 | Very high | 98 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.2 | -47.3 | 176.6 | -172.1 | -122.4 | 0 | 0 | 0 | 111.3 | M87 L88 A89 A94 Y95 E96 R273 V276 A277 | M87-Y92 HydrophobicContact CB-CD2 4.31Å; M87-Y92 HydrophobicContact CB-CG 4.48Å; M87-Y92 HydrophobicContact SD-CD2 3.95Å; L88-Y92 PolarHBondContact O-N 3.07Å; A89-Y92 PolarHBondContact O-N 2.86Å; Y92-A94 PolarHBondContact O-N 3.4Å; Y92-Y95 HydrophobicContact CD2-CD1 4.38Å; Y92-Y95 HydrophobicContact CE2-CD1 4.34Å; Y92-Y95 WeakPolarHBondContact O-CB 3.2Å; Y92-Y95 PolarHBondContact O-N 3.26Å; Y92-E96 HydrophobicContact CD1-CG 4.42Å; Y92-E96 HydrophobicContact CD2-CG 4.3Å; Y92-E96 HydrophobicContact CE1-CG 4.03Å; Y92-E96 HydrophobicContact CE2-CG 3.85Å; Y92-E96 VanDerWaalsContact CE2-OE1 3.28Å; Y92-E96 WeakPolarHBondContact CE2-OE1 3.27Å; Y92-E96 WeakPolarHBondContact O-CG 3.42Å; Y92-E96 PolarHBondContact O-N 3.16Å; Y92-E96 PolarHBondContact OH-OE1 2.95Å; Y92-R273 HydrophobicContact CE1-CG 4.4Å; Y92-R273 WeakPolarHBondContact OH-CA 3.45Å; Y92-V276 HydrophobicContact CD1-CG1 3.87Å; Y92-V276 HydrophobicContact CE1-CB 3.84Å; Y92-V276 HydrophobicContact CE1-CG1 3.55Å; Y92-V276 HydrophobicContact CE2-CG1 4.34Å; Y92-V276 HydrophobicContact CG-CG1 4.37Å; Y92-A277 HydrophobicContact CD1-CB 4.44Å; Y92-A277 HydrophobicContact CE1-CB 4.41Å |
| 93 | D | 98.6 | Very high | 97.7 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.027 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.7 | -44.5 | 176.7 | -73.7 | -25.5 | 0 | 0 | 0 | 111.7 | A89 Y95 E96 L97 I114 R118 I126 | A89-D93 PolarHBondContact O-N 3.29Å; D93-Y95 VanDerWaalsContact C-N 3.33Å; D93-Y95 PolarHBondContact O-N 2.97Å; D93-E96 PolarHBondContact O-N 2.92Å; D93-L97 WeakPolarHBondContact O-CB 3.32Å; D93-L97 WeakPolarHBondContact O-CG 3.44Å; D93-L97 PolarHBondContact O-N 3.42Å; D93-I114 HydrophobicContact CB-CD1 4.48Å; D93-I114 HydrophobicContact CB-CG2 4.22Å; D93-R118 IonicContact OD1-CZ 2.89Å; D93-R118 IonicContact OD1-NE 3.55Å; D93-R118 IonicContact OD1-NH2 2.73Å; D93-R118 PolarHBondContact OD1-NH2 3.06Å; D93-R118 IonicContact OD2-CZ 2.8Å; D93-R118 IonicContact OD2-NE 2.64Å; D93-R118 PolarHBondContact OD2-NE 3.41Å; D93-R118 IonicContact OD2-NH2 3.74Å; D93-R118 PolarHBondContact OD2-NH2 3.08Å; D93-I126 HydrophobicContact CB-CD1 3.68Å; D93-I126 HydrophobicContact CB-CG1 3.86Å; D93-I126 WeakPolarHBondContact OD2-CD1 3.2Å |
| 94 | A | 98.6 | Very high | 97.2 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 6% | 0.058 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.3 | -38 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | P90 V91 Y92 R98 I126 V129 Y130 | P90-A94 VanDerWaalsContact O-CB 3.3Å; P90-A94 WeakPolarHBondContact O-CB 3.45Å; P90-A94 PolarHBondContact O-N 3.5Å; P90-A94 VanDerWaalsContact O-N 3.12Å; V91-A94 PolarHBondContact O-N 3.45Å; Y92-A94 PolarHBondContact O-N 3.4Å; A94-R98 WeakPolarHBondContact O-CB 3.37Å; A94-R98 PolarHBondContact O-N 2.94Å; A94-I126 HydrophobicContact CB-CG2 4.41Å; A94-V129 HydrophobicContact CB-CB 4.4Å; A94-V129 HydrophobicContact CB-CG1 3.85Å; A94-Y130 HydrophobicContact CB-CD2 4.22Å |
| 95 | Y | 98.4 | Very high | 96.9 | Very high | 90 Ų | 90 | 44.5 Ų | 44.5 | 35% | 0.353 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.8 | -47.3 | 175 | 169.9 | -95.8 | 0 | 0 | 0 | 112 | M87 V91 Y92 D93 R98 N99 | M87-Y95 HydrophobicContact CE-CD1 4.26Å; M87-Y95 HydrophobicContact CE-CD2 4.04Å; M87-Y95 HydrophobicContact CE-CE1 4.4Å; M87-Y95 HydrophobicContact CE-CE2 4.18Å; M87-Y95 HydrophobicContact CE-CG 4.07Å; M87-Y95 HydrophobicContact SD-CD1 4.12Å; M87-Y95 HydrophobicContact SD-CD2 4.42Å; M87-Y95 HydrophobicContact SD-CG 3.92Å; V91-Y95 VanDerWaalsContact O-CB 3.27Å; V91-Y95 WeakPolarHBondContact O-CB 3.3Å; V91-Y95 PolarHBondContact O-N 3.35Å; Y92-Y95 HydrophobicContact CD2-CD1 4.38Å; Y92-Y95 HydrophobicContact CE2-CD1 4.34Å; Y92-Y95 WeakPolarHBondContact O-CB 3.2Å; Y92-Y95 PolarHBondContact O-N 3.26Å; D93-Y95 VanDerWaalsContact C-N 3.33Å; D93-Y95 PolarHBondContact O-N 2.97Å; Y95-R98 PolarHBondContact O-N 3.46Å; Y95-N99 WeakPolarHBondContact CE1-ND2 3.34Å; Y95-N99 VanDerWaalsContact CE2-ND2 3.33Å; Y95-N99 WeakPolarHBondContact CE2-ND2 3.4Å; Y95-N99 PolarHBondContact O-N 3.19Å; Y95-N99 PolarHBondContact O-ND2 3.19Å; Y95-N99 PolarHBondContact OH-ND2 3.31Å |
| 96 | E | 98.6 | Very high | 96.8 | Very high | 24 Ų | 24 | 45.8 Ų | 45.8 | 11% | 0.112 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 177.9 | -71.3 | -69.5 | 134.7 | 0 | 0 | 111.5 | Y92 D93 R98 N99 A100 I114 R273 | Y92-E96 HydrophobicContact CD1-CG 4.42Å; Y92-E96 HydrophobicContact CD2-CG 4.3Å; Y92-E96 HydrophobicContact CE1-CG 4.03Å; Y92-E96 HydrophobicContact CE2-CG 3.85Å; Y92-E96 VanDerWaalsContact CE2-OE1 3.28Å; Y92-E96 WeakPolarHBondContact CE2-OE1 3.27Å; Y92-E96 WeakPolarHBondContact O-CG 3.42Å; Y92-E96 PolarHBondContact O-N 3.16Å; Y92-E96 PolarHBondContact OH-OE1 2.95Å; D93-E96 PolarHBondContact O-N 2.92Å; E96-R98 PolarHBondContact O-N 2.93Å; E96-N99 PolarHBondContact O-N 3.39Å; E96-A100 WeakPolarHBondContact O-CB 3.35Å; E96-A100 PolarHBondContact O-N 2.95Å; E96-I114 HydrophobicContact CB-CD1 3.84Å; E96-R273 HydrophobicContact CG-CG 4.22Å; E96-R273 IonicContact OE2-NH1 3.63Å |
| 97 | L | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 176.5 | -70.5 | 169.1 | 0 | 0 | 0 | 112 | D93 N99 A100 M101 L111 I114 I126 L139 | D93-L97 WeakPolarHBondContact O-CB 3.32Å; D93-L97 WeakPolarHBondContact O-CG 3.44Å; D93-L97 PolarHBondContact O-N 3.42Å; L97-N99 VanDerWaalsContact C-N 3.34Å; L97-N99 PolarHBondContact O-N 3.19Å; L97-A100 PolarHBondContact O-N 3.27Å; L97-M101 HydrophobicContact CB-CE 4.41Å; L97-M101 WeakPolarHBondContact O-CE 3.45Å; L97-M101 PolarHBondContact O-N 2.88Å; L97-L111 HydrophobicContact CD2-CD2 3.54Å; L97-I114 HydrophobicContact CD1-CG2 4.12Å; L97-I114 HydrophobicContact CD2-CB 4.19Å; L97-I114 HydrophobicContact CD2-CD1 3.91Å; L97-I114 HydrophobicContact CD2-CG2 4.35Å; L97-I114 HydrophobicContact CG-CD1 3.77Å; L97-I114 HydrophobicContact CG-CG2 4.36Å; L97-I126 HydrophobicContact CD1-CG2 3.75Å; L97-L139 HydrophobicContact CB-CD1 4.21Å; L97-L139 HydrophobicContact CD1-CD1 4.21Å; L97-L139 HydrophobicContact CD1-CD2 3.6Å |
| 98 | R | 97.9 | Very high | 96.6 | Very high | 96 Ų | 96 | 49.6 Ų | 49.6 | 36% | 0.362 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.4 | -47.2 | 175.9 | -176.5 | -161.4 | 177.7 | 171.3 | 1.8 | 111 | A94 Y95 E96 A100 M101 K102 Y130 E134 | A94-R98 WeakPolarHBondContact O-CB 3.37Å; A94-R98 PolarHBondContact O-N 2.94Å; Y95-R98 PolarHBondContact O-N 3.46Å; E96-R98 PolarHBondContact O-N 2.93Å; R98-A100 VanDerWaalsContact C-N 3.34Å; R98-M101 CarbonylContact O-C 3.55Å; R98-M101 PolarHBondContact O-N 3.48Å; R98-K102 WeakPolarHBondContact O-CB 3.48Å; R98-K102 PolarHBondContact O-N 3.28Å; R98-Y130 HydrophobicContact CB-CE2 3.77Å; R98-Y130 HydrophobicContact CG-CE2 4.44Å; R98-E134 WeakPolarHBondContact CD-OE1 3.34Å; R98-E134 IonicContact CZ-OE1 3.58Å; R98-E134 IonicContact CZ-OE2 2.7Å; R98-E134 IonicContact NE-OE1 3.2Å; R98-E134 PolarHBondContact NE-OE1 2.93Å; R98-E134 IonicContact NE-OE2 3.56Å; R98-E134 IonicContact NH1-OE1 2.84Å; R98-E134 PolarHBondContact NH1-OE1 3.49Å; R98-E134 VanDerWaalsContact NH1-OE1 3.1Å; R98-E134 IonicContact NH2-OE1 3.15Å; R98-E134 IonicContact NH2-OE2 2.7Å |
| 99 | N | 97.1 | Very high | 96.5 | Very high | 56 Ų | 56 | 47.5 Ų | 47.5 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.1 | -36.8 | -179.1 | -71.8 | -26.3 | 0 | 0 | 0 | 112.1 | Y95 E96 L97 M101 K102 | Y95-N99 WeakPolarHBondContact CE1-ND2 3.34Å; Y95-N99 VanDerWaalsContact CE2-ND2 3.33Å; Y95-N99 WeakPolarHBondContact CE2-ND2 3.4Å; Y95-N99 PolarHBondContact O-N 3.19Å; Y95-N99 PolarHBondContact O-ND2 3.19Å; Y95-N99 PolarHBondContact OH-ND2 3.31Å; E96-N99 PolarHBondContact O-N 3.39Å; L97-N99 VanDerWaalsContact C-N 3.34Å; L97-N99 PolarHBondContact O-N 3.19Å; N99-M101 PolarHBondContact O-N 3.4Å; N99-K102 PolarHBondContact O-N 2.99Å; N99-K102 VanDerWaalsContact O-N 3.07Å |
| 100 | A | 97.5 | Very high | 96.6 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 3% | 0.033 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.1 | -24 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | E96 L97 R98 T106 E107 C110 L111 | E96-A100 WeakPolarHBondContact O-CB 3.35Å; E96-A100 PolarHBondContact O-N 2.95Å; L97-A100 PolarHBondContact O-N 3.27Å; R98-A100 VanDerWaalsContact C-N 3.34Å; A100-T106 CarbonylContact O-C 3.52Å; A100-T106 VanDerWaalsContact O-CA 3.31Å; A100-T106 WeakPolarHBondContact O-CA 3.27Å; A100-E107 HydrophobicContact CB-CB 3.93Å; A100-E107 PolarHBondContact O-N 3.49Å; A100-C110 HydrophobicContact CB-CB 3.63Å; A100-L111 HydrophobicContact CB-CD2 4.3Å |
| 101 | M | 97.3 | Very high | 96.7 | Very high | 14 Ų | 14 | 44.2 Ų | 44.2 | 7% | 0.069 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 8.6 | 177.6 | -61.9 | 179.6 | -72 | 0 | 0 | 112.6 | L97 R98 N99 T106 L111 Y130 L139 A142 V143 D146 | L97-M101 HydrophobicContact CB-CE 4.41Å; L97-M101 WeakPolarHBondContact O-CE 3.45Å; L97-M101 PolarHBondContact O-N 2.88Å; R98-M101 CarbonylContact O-C 3.55Å; R98-M101 PolarHBondContact O-N 3.48Å; N99-M101 PolarHBondContact O-N 3.4Å; M101-T106 HydrophobicContact CG-CG2 4.4Å; M101-L111 HydrophobicContact CG-CD2 4.1Å; M101-L111 HydrophobicContact SD-CD2 4.25Å; M101-Y130 HydrophobicContact CE-CE2 4.18Å; M101-L139 HydrophobicContact CE-CD1 3.63Å; M101-A142 HydrophobicContact CE-CB 3.69Å; M101-A142 VanDerWaalsContact SD-C 3.59Å; M101-A142 HydrophobicContact SD-CB 3.86Å; M101-V143 HydrophobicContact CE-CG2 4.24Å; M101-V143 HydrophobicContact SD-CB 4.34Å; M101-V143 HydrophobicContact SD-CG2 3.65Å; M101-D146 HydrophobicContact CB-CB 4.31Å; M101-D146 HydrophobicContact CG-CB 4.09Å; M101-D146 HydrophobicContact SD-CB 4.37Å |
| 102 | K | 94.3 | Very high | 96.7 | Very high | 150 Ų | 150 | 41.9 Ų | 41.9 | 65% | 0.652 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -93.1 | 120.7 | -175.9 | -174.3 | -177.3 | 176.8 | -174.6 | 0 | 110.7 | R98 N99 | R98-K102 WeakPolarHBondContact O-CB 3.48Å; R98-K102 PolarHBondContact O-N 3.28Å; N99-K102 PolarHBondContact O-N 2.99Å; N99-K102 VanDerWaalsContact O-N 3.07Å |
| 103 | G | 92.4 | Very high | 96.6 | Very high | 64 Ų | 64 | 41.9 Ų | 41.9 | 66% | 0.66 | 25% | 0.249 | S | C | * | . | S | Bend | trans | 101.1 | -152.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 104 | A | 89.1 | Confident | 96.6 | Very high | 112 Ų | 112 | 41.7 Ų | 41.7 | 93% | 0.926 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -87 | 123.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 105 | G | 92.3 | Very high | 96.6 | Very high | 56 Ų | 56 | 41.6 Ų | 41.6 | 58% | 0.577 | 25% | 0.247 | S | C | * | . | S | Bend | trans | 88.9 | 178 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 106 | T | 96.2 | Very high | 96.6 | Very high | 28 Ų | 28 | 37.9 Ų | 37.9 | 17% | 0.172 | 24% | 0.235 | C | C | . | . | trans | -137.6 | 142.2 | -176.9 | -53 | 0 | 0 | 0 | 0 | 108.8 | A100 M101 E108 L111 D146 | A100-T106 CarbonylContact O-C 3.52Å; A100-T106 VanDerWaalsContact O-CA 3.31Å; A100-T106 WeakPolarHBondContact O-CA 3.27Å; M101-T106 HydrophobicContact CG-CG2 4.4Å; T106-E108 HydrophobicContact CG2-CG 4.49Å; T106-E108 PolarHBondContact O-N 2.82Å; T106-L111 HydrophobicContact CG2-CD1 3.74Å; T106-L111 HydrophobicContact CG2-CG 4.48Å; T106-D146 HydrophobicContact CG2-CB 4.44Å; T106-D146 PolarHBondContact OG1-O 3.01Å | ||
| 107 | E | 96.8 | Very high | 96.6 | Very high | 55 Ų | 55 | 36.9 Ų | 36.9 | 26% | 0.257 | 23% | 0.23 | S | C | . | . | trans | -89.5 | 81.7 | 168.9 | -171.9 | -167.9 | 165.8 | 0 | 0 | 108.9 | A100 A109 C110 L111 S269 R273 | A100-E107 HydrophobicContact CB-CB 3.93Å; A100-E107 PolarHBondContact O-N 3.49Å; E107-A109 HydrophobicContact CG-CB 4.4Å; E107-A109 PolarHBondContact O-N 3.13Å; E107-C110 HydrophobicContact CB-CB 4.27Å; E107-C110 HydrophobicContact CG-CB 3.97Å; E107-C110 WeakPolarHBondContact O-CB 3.31Å; E107-C110 PolarHBondContact O-N 3.29Å; E107-L111 PolarHBondContact O-N 3.29Å; E107-S269 PolarHBondContact OE1-OG 2.72Å; E107-R273 IonicContact OE1-CZ 3.88Å; E107-R273 IonicContact OE1-NH1 2.65Å; E107-R273 PolarHBondContact OE1-NH1 3.45Å; E107-R273 IonicContact OE1-NH2 2.88Å; E107-R273 IonicContact OE2-NH1 3.67Å | ||
| 108 | E | 97.2 | Very high | 96.5 | Very high | 74 Ų | 74 | 38.1 Ų | 38.1 | 35% | 0.346 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59 | -33.3 | -176.2 | -62.6 | 87.7 | 168 | 0 | 0 | 112.1 | T106 C110 L111 I112 F151 | T106-E108 HydrophobicContact CG2-CG 4.49Å; T106-E108 PolarHBondContact O-N 2.82Å; E108-C110 VanDerWaalsContact C-N 3.26Å; E108-C110 PolarHBondContact O-N 3.33Å; E108-L111 PolarHBondContact O-N 3Å; E108-I112 HydrophobicContact CB-CD1 4.41Å; E108-I112 WeakPolarHBondContact O-CB 3.42Å; E108-I112 WeakPolarHBondContact O-CD1 3.27Å; E108-I112 WeakPolarHBondContact O-CG1 3.33Å; E108-I112 PolarHBondContact O-N 3.15Å; E108-F151 HydrophobicContact CB-CE1 4.04Å; E108-F151 HydrophobicContact CB-CZ 3.8Å; E108-F151 HydrophobicContact CG-CE1 3.62Å; E108-F151 HydrophobicContact CG-CZ 3.94Å |
| 109 | A | 96.1 | Very high | 96.5 | Very high | 33 Ų | 33 | 35.6 Ų | 35.6 | 27% | 0.273 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -53.3 | -40.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | E107 D113 | E107-A109 HydrophobicContact CG-CB 4.4Å; E107-A109 PolarHBondContact O-N 3.13Å; A109-D113 WeakPolarHBondContact O-CB 3.42Å; A109-D113 PolarHBondContact O-N 2.96Å |
| 110 | C | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.6 | -46.5 | 177.8 | -179.4 | 0 | 0 | 0 | 0 | 111.4 | A100 E107 E108 I112 D113 I114 | A100-C110 HydrophobicContact CB-CB 3.63Å; E107-C110 HydrophobicContact CB-CB 4.27Å; E107-C110 HydrophobicContact CG-CB 3.97Å; E107-C110 WeakPolarHBondContact O-CB 3.31Å; E107-C110 PolarHBondContact O-N 3.29Å; E108-C110 VanDerWaalsContact C-N 3.26Å; E108-C110 PolarHBondContact O-N 3.33Å; C110-I112 VanDerWaalsContact C-N 3.28Å; C110-I112 PolarHBondContact O-N 3.35Å; C110-D113 PolarHBondContact O-N 2.87Å; C110-I114 PolarHBondContact O-N 3.41Å; C110-I114 VanDerWaalsContact O-N 3.13Å |
| 111 | L | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.5 | -45.2 | 176.1 | -56.7 | -175.9 | 0 | 0 | 0 | 110.8 | L97 A100 M101 T106 E107 E108 L115 V143 T147 L155 | L97-L111 HydrophobicContact CD2-CD2 3.54Å; A100-L111 HydrophobicContact CB-CD2 4.3Å; M101-L111 HydrophobicContact CG-CD2 4.1Å; M101-L111 HydrophobicContact SD-CD2 4.25Å; T106-L111 HydrophobicContact CG2-CD1 3.74Å; T106-L111 HydrophobicContact CG2-CG 4.48Å; E107-L111 PolarHBondContact O-N 3.29Å; E108-L111 PolarHBondContact O-N 3Å; L111-L115 VanDerWaalsContact O-CB 3.25Å; L111-L115 WeakPolarHBondContact O-CB 3.37Å; L111-L115 VanDerWaalsContact O-CG 3.24Å; L111-L115 WeakPolarHBondContact O-CG 3.28Å; L111-L115 PolarHBondContact O-N 3.32Å; L111-V143 HydrophobicContact CD2-CG2 4.48Å; L111-T147 HydrophobicContact CD1-CG2 3.86Å; L111-L155 HydrophobicContact CB-CD1 4.18Å; L111-L155 HydrophobicContact CB-CD2 4.48Å; L111-L155 HydrophobicContact CD1-CD1 3.85Å |
| 112 | I | 98.6 | Very high | 96.6 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 4% | 0.036 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.6 | -50.5 | -179.9 | -68.2 | 166 | 0 | 0 | 0 | 111.3 | E108 C110 I114 A116 F151 D237 V238 A241 | E108-I112 HydrophobicContact CB-CD1 4.41Å; E108-I112 WeakPolarHBondContact O-CB 3.42Å; E108-I112 WeakPolarHBondContact O-CD1 3.27Å; E108-I112 WeakPolarHBondContact O-CG1 3.33Å; E108-I112 PolarHBondContact O-N 3.15Å; C110-I112 VanDerWaalsContact C-N 3.28Å; C110-I112 PolarHBondContact O-N 3.35Å; I112-I114 VanDerWaalsContact C-N 3.28Å; I112-I114 PolarHBondContact O-N 3.48Å; I112-A116 WeakPolarHBondContact O-CB 3.49Å; I112-A116 PolarHBondContact O-N 2.89Å; I112-F151 HydrophobicContact CD1-CE2 3.84Å; I112-F151 HydrophobicContact CD1-CZ 4.1Å; I112-F151 HydrophobicContact CG1-CE2 3.8Å; I112-F151 HydrophobicContact CG1-CZ 4.05Å; I112-D237 HydrophobicContact CD1-CB 3.71Å; I112-V238 HydrophobicContact CD1-CB 4.28Å; I112-V238 HydrophobicContact CG1-CB 3.95Å; I112-V238 HydrophobicContact CG1-CG2 4.17Å; I112-A241 HydrophobicContact CG2-CB 3.36Å |
| 113 | D | 96.9 | Very high | 96.8 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.8 | -42.2 | -176.9 | -74.6 | -24.1 | 0 | 0 | 0 | 112.1 | A109 C110 S117 F252 R256 R273 | A109-D113 WeakPolarHBondContact O-CB 3.42Å; A109-D113 PolarHBondContact O-N 2.96Å; C110-D113 PolarHBondContact O-N 2.87Å; D113-S117 VanDerWaalsContact O-CB 3.26Å; D113-S117 WeakPolarHBondContact O-CB 3.22Å; D113-S117 PolarHBondContact O-OG 3Å; D113-F252 WeakPolarHBondContact OD1-CZ 3.31Å; D113-R256 VanDerWaalsContact CG-NH2 3.33Å; D113-R256 IonicContact OD1-CZ 3.6Å; D113-R256 IonicContact OD1-NE 3.62Å; D113-R256 PolarHBondContact OD1-NE 3.26Å; D113-R256 IonicContact OD1-NH2 2.76Å; D113-R256 PolarHBondContact OD1-NH2 3.49Å; D113-R256 VanDerWaalsContact OD1-NH2 3.15Å; D113-R256 IonicContact OD2-CZ 3.39Å; D113-R256 IonicContact OD2-NE 2.74Å; D113-R256 PolarHBondContact OD2-NE 3.07Å; D113-R256 IonicContact OD2-NH2 2.77Å; D113-R256 PolarHBondContact OD2-NH2 2.9Å; D113-R273 IonicContact OD2-CZ 2.7Å; D113-R273 IonicContact OD2-NE 3.58Å; D113-R273 IonicContact OD2-NH2 2.63Å; D113-R273 PolarHBondContact OD2-NH2 2.96Å |
| 114 | I | 98.5 | Very high | 97.1 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -76.9 | -57.2 | -179 | -63.6 | 172.6 | 0 | 0 | 0 | 109.6 | D93 E96 L97 C110 I112 A116 S117 R118 I126 | D93-I114 HydrophobicContact CB-CD1 4.48Å; D93-I114 HydrophobicContact CB-CG2 4.22Å; E96-I114 HydrophobicContact CB-CD1 3.84Å; L97-I114 HydrophobicContact CD1-CG2 4.12Å; L97-I114 HydrophobicContact CD2-CB 4.19Å; L97-I114 HydrophobicContact CD2-CD1 3.91Å; L97-I114 HydrophobicContact CD2-CG2 4.35Å; L97-I114 HydrophobicContact CG-CD1 3.77Å; L97-I114 HydrophobicContact CG-CG2 4.36Å; C110-I114 PolarHBondContact O-N 3.41Å; C110-I114 VanDerWaalsContact O-N 3.13Å; I112-I114 VanDerWaalsContact C-N 3.28Å; I112-I114 PolarHBondContact O-N 3.48Å; I114-A116 VanDerWaalsContact C-N 3.35Å; I114-A116 PolarHBondContact O-N 3.17Å; I114-S117 PolarHBondContact O-N 3.27Å; I114-S117 PolarHBondContact O-OG 3.44Å; I114-R118 HydrophobicContact CG2-CG 4.04Å; I114-R118 VanDerWaalsContact O-CG 3.26Å; I114-R118 WeakPolarHBondContact O-CG 3.24Å; I114-R118 PolarHBondContact O-N 3.31Å; I114-R118 VanDerWaalsContact O-N 3.13Å; I114-I126 HydrophobicContact CG2-CD1 4.31Å |
| 115 | L | 98.4 | Very high | 97.5 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.4 | -29.7 | -169.3 | -60.3 | -177.8 | 0 | 0 | 0 | 113.7 | L111 I123 L155 L158 L159 | L111-L115 VanDerWaalsContact O-CB 3.25Å; L111-L115 WeakPolarHBondContact O-CB 3.37Å; L111-L115 VanDerWaalsContact O-CG 3.24Å; L111-L115 WeakPolarHBondContact O-CG 3.28Å; L111-L115 PolarHBondContact O-N 3.32Å; L115-I123 HydrophobicContact CD2-CD1 3.61Å; L115-L155 HydrophobicContact CD1-CB 4.09Å; L115-L155 HydrophobicContact CD1-CD2 4.01Å; L115-L158 HydrophobicContact CB-CB 4.15Å; L115-L158 HydrophobicContact CB-CD1 3.94Å; L115-L159 HydrophobicContact CD1-CD1 4.4Å; L115-L159 HydrophobicContact CD1-CD2 4.08Å; L115-L159 HydrophobicContact CD1-CG 3.96Å; L115-L159 HydrophobicContact CD2-CD2 3.48Å; L115-L159 VanDerWaalsContact CD2-CD2 3.48Å; L115-L159 HydrophobicContact CD2-CG 4.15Å; L115-L159 HydrophobicContact CG-CD2 4.46Å |
| 116 | A | 97.9 | Very high | 97.8 | Very high | 13 Ų | 13 | 29.5 Ų | 29.5 | 11% | 0.107 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -21.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | I112 I114 A241 I242 C245 | I112-A116 WeakPolarHBondContact O-CB 3.49Å; I112-A116 PolarHBondContact O-N 2.89Å; I114-A116 VanDerWaalsContact C-N 3.35Å; I114-A116 PolarHBondContact O-N 3.17Å; A116-A241 HydrophobicContact CB-CB 3.71Å; A116-I242 HydrophobicContact CB-CG1 4.03Å; A116-C245 WeakPolarHBondContact O-CB 3.12Å |
| 117 | S | 97.8 | Very high | 98 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -22.7 | -171.1 | 72.8 | 0 | 0 | 0 | 0 | 114.6 | D113 I114 K249 | D113-S117 VanDerWaalsContact O-CB 3.26Å; D113-S117 WeakPolarHBondContact O-CB 3.22Å; D113-S117 PolarHBondContact O-OG 3Å; I114-S117 PolarHBondContact O-N 3.27Å; I114-S117 PolarHBondContact O-OG 3.44Å; S117-K249 WeakPolarHBondContact O-CE 3.41Å; S117-K249 PolarHBondContact O-NZ 3.15Å |
| 118 | R | 97.6 | Very high | 98 | Very high | 26 Ų | 26 | 34 Ų | 34 | 10% | 0.098 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -80.2 | 147.9 | -179.6 | -63.3 | -58.3 | 179.4 | -96.1 | -1.2 | 112.3 | D93 I114 E122 I123 I126 | D93-R118 IonicContact OD1-CZ 2.89Å; D93-R118 IonicContact OD1-NE 3.55Å; D93-R118 IonicContact OD1-NH2 2.73Å; D93-R118 PolarHBondContact OD1-NH2 3.06Å; D93-R118 IonicContact OD2-CZ 2.8Å; D93-R118 IonicContact OD2-NE 2.64Å; D93-R118 PolarHBondContact OD2-NE 3.41Å; D93-R118 IonicContact OD2-NH2 3.74Å; D93-R118 PolarHBondContact OD2-NH2 3.08Å; I114-R118 HydrophobicContact CG2-CG 4.04Å; I114-R118 VanDerWaalsContact O-CG 3.26Å; I114-R118 WeakPolarHBondContact O-CG 3.24Å; I114-R118 PolarHBondContact O-N 3.31Å; I114-R118 VanDerWaalsContact O-N 3.13Å; R118-E122 WeakPolarHBondContact CA-OE2 3.33Å; R118-E122 HydrophobicContact CB-CB 3.92Å; R118-E122 HydrophobicContact CG-CB 4.4Å; R118-I123 HydrophobicContact CB-CD1 3.69Å; R118-I123 HydrophobicContact CB-CG1 3.95Å; R118-I123 HydrophobicContact CG-CD1 4.42Å; R118-I126 HydrophobicContact CG-CD1 4.07Å |
| 119 | S | 97.1 | Very high | 98.1 | Very high | 44 Ų | 44 | 31.9 Ų | 31.9 | 31% | 0.308 | 17% | 0.17 | S | C | . | . | trans | -74.4 | 165.1 | 172.7 | 60.2 | 0 | 0 | 0 | 0 | 111.7 | N121 E122 I123 | S119-N121 VanDerWaalsContact C-N 3.29Å; S119-N121 PolarHBondContact O-N 3.34Å; S119-E122 WeakPolarHBondContact CB-OE2 3.34Å; S119-E122 PolarHBondContact N-OE2 2.96Å; S119-E122 PolarHBondContact O-N 2.86Å; S119-E122 VanDerWaalsContact O-N 3.16Å; S119-E122 VanDerWaalsContact OG-CG 3.31Å; S119-E122 WeakPolarHBondContact OG-CG 3.33Å; S119-E122 PolarHBondContact OG-N 3.2Å; S119-E122 PolarHBondContact OG-OE2 3.42Å; S119-I123 WeakPolarHBondContact O-CG1 3.37Å; S119-I123 PolarHBondContact O-N 3.4Å | ||
| 120 | N | 98.1 | Very high | 98.2 | Very high | 17 Ų | 17 | 30.8 Ų | 30.8 | 9% | 0.091 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56 | -43.4 | 176.9 | -71 | -7.1 | 0 | 0 | 0 | 112.2 | I123 K124 A161 R163 E165 | N120-I123 PolarHBondContact O-N 3.07Å; N120-K124 VanDerWaalsContact O-CG 3.3Å; N120-K124 WeakPolarHBondContact O-CG 3.14Å; N120-K124 PolarHBondContact O-N 3Å; N120-A161 HydrophobicContact CB-CB 3.84Å; N120-A161 PolarHBondContact ND2-O 2.68Å; N120-A161 VanDerWaalsContact ND2-O 3.13Å; N120-A161 WeakPolarHBondContact O-CB 3.4Å; N120-A161 PolarHBondContact OD1-O 2.81Å; N120-R163 PolarHBondContact ND2-O 3.44Å; N120-E165 WeakPolarHBondContact CB-OE1 3.39Å; N120-E165 VanDerWaalsContact ND2-CG 3.26Å; N120-E165 WeakPolarHBondContact ND2-CG 3.48Å |
| 121 | N | 98 | Very high | 98.2 | Very high | 105 Ų | 105 | 35.9 Ų | 35.9 | 56% | 0.561 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -64.6 | -41.2 | 178.5 | -177 | 68.3 | 0 | 0 | 0 | 112.6 | S119 K124 T125 | S119-N121 VanDerWaalsContact C-N 3.29Å; S119-N121 PolarHBondContact O-N 3.34Å; N121-K124 PolarHBondContact O-N 3.32Å; N121-T125 PolarHBondContact O-N 3.2Å; N121-T125 PolarHBondContact O-OG1 3.46Å |
| 122 | E | 98.1 | Very high | 98.2 | Very high | 60 Ų | 60 | 44.4 Ų | 44.4 | 28% | 0.28 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.3 | -46.5 | 174.3 | -72.8 | 165.4 | 133.7 | 0 | 0 | 110.9 | R118 S119 K124 T125 I126 | R118-E122 WeakPolarHBondContact CA-OE2 3.33Å; R118-E122 HydrophobicContact CB-CB 3.92Å; R118-E122 HydrophobicContact CG-CB 4.4Å; S119-E122 WeakPolarHBondContact CB-OE2 3.34Å; S119-E122 PolarHBondContact N-OE2 2.96Å; S119-E122 PolarHBondContact O-N 2.86Å; S119-E122 VanDerWaalsContact O-N 3.16Å; S119-E122 VanDerWaalsContact OG-CG 3.31Å; S119-E122 WeakPolarHBondContact OG-CG 3.33Å; S119-E122 PolarHBondContact OG-N 3.2Å; S119-E122 PolarHBondContact OG-OE2 3.42Å; E122-K124 PolarHBondContact O-N 2.82Å; E122-T125 WeakPolarHBondContact O-CB 3.44Å; E122-T125 PolarHBondContact O-N 3.35Å; E122-I126 WeakPolarHBondContact O-CD1 3.31Å; E122-I126 VanDerWaalsContact O-CG1 3.23Å; E122-I126 WeakPolarHBondContact O-CG1 3.31Å; E122-I126 PolarHBondContact O-N 2.89Å |
| 123 | I | 98.6 | Very high | 98 | Very high | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.1 | -45 | 177.4 | -67.1 | -61.3 | 0 | 0 | 0 | 111.9 | L115 R118 S119 N120 T125 I126 N127 L159 A161 | L115-I123 HydrophobicContact CD2-CD1 3.61Å; R118-I123 HydrophobicContact CB-CD1 3.69Å; R118-I123 HydrophobicContact CB-CG1 3.95Å; R118-I123 HydrophobicContact CG-CD1 4.42Å; S119-I123 WeakPolarHBondContact O-CG1 3.37Å; S119-I123 PolarHBondContact O-N 3.4Å; N120-I123 PolarHBondContact O-N 3.07Å; I123-T125 VanDerWaalsContact C-N 3.3Å; I123-T125 PolarHBondContact O-N 3.07Å; I123-I126 HydrophobicContact CD1-CD1 4.38Å; I123-I126 PolarHBondContact O-N 3.13Å; I123-N127 PolarHBondContact O-N 2.8Å; I123-N127 PolarHBondContact O-ND2 3.16Å; I123-L159 WeakPolarHBondContact CG2-O 3.25Å; I123-A161 HydrophobicContact CB-CB 4.12Å; I123-A161 HydrophobicContact CG2-CB 3.96Å |
| 124 | K | 98.8 | Very high | 97.8 | Very high | 98 Ų | 98 | 49.1 Ų | 49.1 | 43% | 0.426 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -57.1 | -45.5 | 175.1 | -72.9 | 169.8 | -174.9 | 173 | 0 | 111.2 | N120 N121 E122 N127 E128 A161 | N120-K124 VanDerWaalsContact O-CG 3.3Å; N120-K124 WeakPolarHBondContact O-CG 3.14Å; N120-K124 PolarHBondContact O-N 3Å; N121-K124 PolarHBondContact O-N 3.32Å; E122-K124 PolarHBondContact O-N 2.82Å; K124-N127 PolarHBondContact O-N 3.23Å; K124-E128 WeakPolarHBondContact O-CG 3.39Å; K124-E128 PolarHBondContact O-N 3.46Å; K124-E128 VanDerWaalsContact O-N 3.1Å; K124-A161 HydrophobicContact CD-CB 4.36Å; K124-A161 HydrophobicContact CG-CB 3.79Å |
| 125 | T | 98.5 | Very high | 97.6 | Very high | 43 Ų | 43 | 59.6 Ų | 59.6 | 26% | 0.264 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 178.1 | -50.5 | 0 | 0 | 0 | 0 | 111.6 | P90 N121 E122 I123 E128 V129 | P90-T125 HydrophobicContact CB-CG2 3.61Å; P90-T125 HydrophobicContact CG-CG2 3.84Å; N121-T125 PolarHBondContact O-N 3.2Å; N121-T125 PolarHBondContact O-OG1 3.46Å; E122-T125 WeakPolarHBondContact O-CB 3.44Å; E122-T125 PolarHBondContact O-N 3.35Å; I123-T125 VanDerWaalsContact C-N 3.3Å; I123-T125 PolarHBondContact O-N 3.07Å; T125-E128 PolarHBondContact O-N 2.85Å; T125-V129 WeakPolarHBondContact O-CG2 3.36Å; T125-V129 PolarHBondContact O-N 2.95Å |
| 126 | I | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62 | -45.2 | 176.8 | -68.5 | 161.3 | 0 | 0 | 0 | 110.5 | P90 D93 A94 L97 I114 R118 E122 I123 E128 V129 Y130 L139 | P90-I126 HydrophobicContact CB-CG1 4.28Å; D93-I126 HydrophobicContact CB-CD1 3.68Å; D93-I126 HydrophobicContact CB-CG1 3.86Å; D93-I126 WeakPolarHBondContact OD2-CD1 3.2Å; A94-I126 HydrophobicContact CB-CG2 4.41Å; L97-I126 HydrophobicContact CD1-CG2 3.75Å; I114-I126 HydrophobicContact CG2-CD1 4.31Å; R118-I126 HydrophobicContact CG-CD1 4.07Å; E122-I126 WeakPolarHBondContact O-CD1 3.31Å; E122-I126 VanDerWaalsContact O-CG1 3.23Å; E122-I126 WeakPolarHBondContact O-CG1 3.31Å; E122-I126 PolarHBondContact O-N 2.89Å; I123-I126 HydrophobicContact CD1-CD1 4.38Å; I123-I126 PolarHBondContact O-N 3.13Å; I126-E128 VanDerWaalsContact C-N 3.33Å; I126-E128 PolarHBondContact O-N 3.24Å; I126-V129 PolarHBondContact O-N 3.18Å; I126-Y130 VanDerWaalsContact O-CB 3.29Å; I126-Y130 WeakPolarHBondContact O-CB 3.35Å; I126-Y130 PolarHBondContact O-N 3.3Å; I126-L139 HydrophobicContact CG2-CD2 3.87Å |
| 127 | N | 98.6 | Very high | 97.3 | Very high | 41 Ų | 41 | 65.7 Ų | 65.7 | 22% | 0.219 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.8 | -44.9 | 177.1 | -76.7 | -25.9 | 0 | 0 | 0 | 111.9 | I123 K124 K131 L139 L159 | I123-N127 PolarHBondContact O-N 2.8Å; I123-N127 PolarHBondContact O-ND2 3.16Å; K124-N127 PolarHBondContact O-N 3.23Å; N127-K131 VanDerWaalsContact O-CB 3.29Å; N127-K131 WeakPolarHBondContact O-CB 3.17Å; N127-K131 PolarHBondContact O-N 2.81Å; N127-L139 WeakPolarHBondContact OD1-CD2 3.08Å; N127-L159 PolarHBondContact ND2-O 3.18Å |
| 128 | E | 98.5 | Very high | 97.4 | Very high | 136 Ų | 136 | 67.4 Ų | 67.4 | 64% | 0.636 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.7 | -46.4 | 177.4 | -72 | 174.4 | -173.7 | 0 | 0 | 112.2 | K124 T125 I126 K131 K132 | K124-E128 WeakPolarHBondContact O-CG 3.39Å; K124-E128 PolarHBondContact O-N 3.46Å; K124-E128 VanDerWaalsContact O-N 3.1Å; T125-E128 PolarHBondContact O-N 2.85Å; I126-E128 VanDerWaalsContact C-N 3.33Å; I126-E128 PolarHBondContact O-N 3.24Å; E128-K131 PolarHBondContact O-N 2.94Å; E128-K132 WeakPolarHBondContact O-CB 3.42Å; E128-K132 PolarHBondContact O-N 3.12Å |
| 129 | V | 98.4 | Very high | 97.4 | Very high | 31 Ų | 31 | 66.2 Ų | 66.2 | 19% | 0.188 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.8 | -47.8 | 178.3 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | P90 V91 A94 T125 I126 K131 K132 V133 | P90-V129 HydrophobicContact CB-CG2 4.24Å; V91-V129 HydrophobicContact CB-CG1 4.45Å; V91-V129 HydrophobicContact CG2-CG1 4.03Å; A94-V129 HydrophobicContact CB-CB 4.4Å; A94-V129 HydrophobicContact CB-CG1 3.85Å; T125-V129 WeakPolarHBondContact O-CG2 3.36Å; T125-V129 PolarHBondContact O-N 2.95Å; I126-V129 PolarHBondContact O-N 3.18Å; V129-K131 PolarHBondContact O-N 3.09Å; V129-K132 PolarHBondContact O-N 2.69Å; V129-V133 HydrophobicContact CG1-CG2 4.41Å; V129-V133 WeakPolarHBondContact O-CG2 3.34Å; V129-V133 PolarHBondContact O-N 3.37Å |
| 130 | Y | 98.6 | Very high | 97.4 | Very high | 9 Ų | 9 | 68.5 Ų | 68.5 | 4% | 0.035 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.4 | -50 | 178.9 | -168.5 | -81.3 | 0 | 0 | 0 | 111 | A94 R98 M101 I126 K132 V133 E134 L139 A142 | A94-Y130 HydrophobicContact CB-CD2 4.22Å; R98-Y130 HydrophobicContact CB-CE2 3.77Å; R98-Y130 HydrophobicContact CG-CE2 4.44Å; M101-Y130 HydrophobicContact CE-CE2 4.18Å; I126-Y130 VanDerWaalsContact O-CB 3.29Å; I126-Y130 WeakPolarHBondContact O-CB 3.35Å; I126-Y130 PolarHBondContact O-N 3.3Å; Y130-K132 VanDerWaalsContact C-N 3.26Å; Y130-K132 PolarHBondContact O-N 3.23Å; Y130-V133 PolarHBondContact O-N 3.21Å; Y130-V133 VanDerWaalsContact O-N 3.16Å; Y130-E134 HydrophobicContact CD1-CB 4.29Å; Y130-E134 HydrophobicContact CD1-CG 3.91Å; Y130-E134 HydrophobicContact CE1-CB 4.07Å; Y130-E134 HydrophobicContact CE1-CG 3.56Å; Y130-E134 HydrophobicContact CE2-CG 4.35Å; Y130-E134 HydrophobicContact CG-CG 4.44Å; Y130-E134 WeakPolarHBondContact O-CB 3.34Å; Y130-E134 PolarHBondContact O-N 3.26Å; Y130-L139 HydrophobicContact CD1-CB 3.82Å; Y130-L139 HydrophobicContact CD1-CD1 4.41Å; Y130-L139 HydrophobicContact CD2-CB 4.42Å; Y130-L139 HydrophobicContact CD2-CD1 3.84Å; Y130-L139 HydrophobicContact CE1-CB 4.31Å; Y130-L139 HydrophobicContact CE1-CD1 4.35Å; Y130-L139 HydrophobicContact CE2-CD1 3.77Å; Y130-L139 HydrophobicContact CG-CB 3.88Å; Y130-L139 HydrophobicContact CG-CD1 4.17Å; Y130-L139 HydrophobicContact CG-CG 4.46Å; Y130-A142 HydrophobicContact CE1-CB 4.14Å; Y130-A142 WeakPolarHBondContact OH-CB 3.29Å |
| 131 | K | 98.2 | Very high | 97.4 | Very high | 107 Ų | 107 | 72 Ų | 72 | 47% | 0.465 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.7 | -38.2 | 179 | -173.3 | 176.4 | -175.9 | 174.3 | 0 | 112.5 | N127 E128 V129 G136 K137 T138 | N127-K131 VanDerWaalsContact O-CB 3.29Å; N127-K131 WeakPolarHBondContact O-CB 3.17Å; N127-K131 PolarHBondContact O-N 2.81Å; E128-K131 PolarHBondContact O-N 2.94Å; V129-K131 PolarHBondContact O-N 3.09Å; K131-G136 WeakPolarHBondContact O-CA 3.4Å; K131-G136 PolarHBondContact O-N 3.01Å; K131-K137 WeakPolarHBondContact CA-O 3.32Å; K131-T138 HydrophobicContact CD-CG2 4.32Å |
| 132 | K | 97.6 | Very high | 97.4 | Very high | 179 Ų | 179 | 67 Ų | 67 | 78% | 0.778 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -67.5 | -43.5 | 177.3 | -176.2 | 179.9 | 178.2 | -179 | 0 | 112 | E128 V129 Y130 | E128-K132 WeakPolarHBondContact O-CB 3.42Å; E128-K132 PolarHBondContact O-N 3.12Å; V129-K132 PolarHBondContact O-N 2.69Å; Y130-K132 VanDerWaalsContact C-N 3.26Å; Y130-K132 PolarHBondContact O-N 3.23Å |
| 133 | V | 94.3 | Very high | 97.4 | Very high | 72 Ų | 72 | 64.2 Ų | 64.2 | 44% | 0.436 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -74.3 | -34.6 | -177.5 | 175 | 0 | 0 | 0 | 0 | 111.8 | V129 Y130 Y135 | V129-V133 HydrophobicContact CG1-CG2 4.41Å; V129-V133 WeakPolarHBondContact O-CG2 3.34Å; V129-V133 PolarHBondContact O-N 3.37Å; Y130-V133 PolarHBondContact O-N 3.21Å; Y130-V133 VanDerWaalsContact O-N 3.16Å; V133-Y135 VanDerWaalsContact C-N 3.31Å; V133-Y135 PolarHBondContact O-N 3.29Å |
| 134 | E | 94.6 | Very high | 97.4 | Very high | 38 Ų | 38 | 65.9 Ų | 65.9 | 18% | 0.178 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 29.9 | -178.9 | -60.1 | -57.4 | 123.5 | 0 | 0 | 113.3 | R98 Y130 G136 K137 | R98-E134 WeakPolarHBondContact CD-OE1 3.34Å; R98-E134 IonicContact CZ-OE1 3.58Å; R98-E134 IonicContact CZ-OE2 2.7Å; R98-E134 IonicContact NE-OE1 3.2Å; R98-E134 PolarHBondContact NE-OE1 2.93Å; R98-E134 IonicContact NE-OE2 3.56Å; R98-E134 IonicContact NH1-OE1 2.84Å; R98-E134 PolarHBondContact NH1-OE1 3.49Å; R98-E134 VanDerWaalsContact NH1-OE1 3.1Å; R98-E134 IonicContact NH2-OE1 3.15Å; R98-E134 IonicContact NH2-OE2 2.7Å; Y130-E134 HydrophobicContact CD1-CB 4.29Å; Y130-E134 HydrophobicContact CD1-CG 3.91Å; Y130-E134 HydrophobicContact CE1-CB 4.07Å; Y130-E134 HydrophobicContact CE1-CG 3.56Å; Y130-E134 HydrophobicContact CE2-CG 4.35Å; Y130-E134 HydrophobicContact CG-CG 4.44Å; Y130-E134 WeakPolarHBondContact O-CB 3.34Å; Y130-E134 PolarHBondContact O-N 3.26Å; E134-G136 PolarHBondContact O-N 3.26Å; E134-G136 VanDerWaalsContact O-N 3.11Å; E134-K137 HydrophobicContact CB-CB 4.15Å; E134-K137 WeakPolarHBondContact O-CB 3.5Å; E134-K137 PolarHBondContact O-N 3.39Å; E134-K137 VanDerWaalsContact O-N 3.08Å |
| 135 | Y | 93.9 | Very high | 97.3 | Very high | 223 Ų | 223 | 64.3 Ų | 64.3 | 88% | 0.875 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 40 | 172 | -54.9 | -78.8 | 0 | 0 | 0 | 114.5 | V133 | V133-Y135 VanDerWaalsContact C-N 3.31Å; V133-Y135 PolarHBondContact O-N 3.29Å |
| 136 | G | 93.9 | Very high | 97.2 | Very high | 41 Ų | 41 | 64.9 Ų | 64.9 | 42% | 0.423 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98 | -13 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | K131 E134 T138 | K131-G136 WeakPolarHBondContact O-CA 3.4Å; K131-G136 PolarHBondContact O-N 3.01Å; E134-G136 PolarHBondContact O-N 3.26Å; E134-G136 VanDerWaalsContact O-N 3.11Å; G136-T138 PolarHBondContact O-N 3.34Å |
| 137 | K | 96.4 | Very high | 97.2 | Very high | 103 Ų | 103 | 65.5 Ų | 65.5 | 45% | 0.448 | 34% | 0.341 | S | S | . | . | trans | -65.2 | 126.9 | 172.1 | -174 | 179.7 | -179.8 | -175 | 0 | 109.5 | K131 E134 D141 | K131-K137 WeakPolarHBondContact CA-O 3.32Å; E134-K137 HydrophobicContact CB-CB 4.15Å; E134-K137 WeakPolarHBondContact O-CB 3.5Å; E134-K137 PolarHBondContact O-N 3.39Å; E134-K137 VanDerWaalsContact O-N 3.08Å; K137-D141 HydrophobicContact CG-CB 4.34Å | ||
| 138 | T | 98.2 | Very high | 97.1 | Very high | 39 Ų | 39 | 67.8 Ų | 67.8 | 24% | 0.239 | 36% | 0.361 | C | S | . | . | trans | -80.2 | 156.9 | -179.1 | 74 | 0 | 0 | 0 | 0 | 111.4 | K131 G136 E140 D141 A142 | K131-T138 HydrophobicContact CD-CG2 4.32Å; G136-T138 PolarHBondContact O-N 3.34Å; T138-E140 VanDerWaalsContact C-N 3.26Å; T138-E140 PolarHBondContact O-N 2.95Å; T138-D141 WeakPolarHBondContact CB-OD2 3.46Å; T138-D141 PolarHBondContact N-OD2 2.97Å; T138-D141 PolarHBondContact O-N 3.38Å; T138-D141 PolarHBondContact OG1-N 3.41Å; T138-D141 PolarHBondContact OG1-OD2 3.43Å; T138-A142 PolarHBondContact O-N 3.45Å | ||
| 139 | L | 98.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.1 | -33.6 | 172.8 | 178.9 | 55.4 | 0 | 0 | 0 | 111.3 | L97 M101 I126 N127 Y130 A142 V143 L159 | L97-L139 HydrophobicContact CB-CD1 4.21Å; L97-L139 HydrophobicContact CD1-CD1 4.21Å; L97-L139 HydrophobicContact CD1-CD2 3.6Å; M101-L139 HydrophobicContact CE-CD1 3.63Å; I126-L139 HydrophobicContact CG2-CD2 3.87Å; N127-L139 WeakPolarHBondContact OD1-CD2 3.08Å; Y130-L139 HydrophobicContact CD1-CB 3.82Å; Y130-L139 HydrophobicContact CD1-CD1 4.41Å; Y130-L139 HydrophobicContact CD2-CB 4.42Å; Y130-L139 HydrophobicContact CD2-CD1 3.84Å; Y130-L139 HydrophobicContact CE1-CB 4.31Å; Y130-L139 HydrophobicContact CE1-CD1 4.35Å; Y130-L139 HydrophobicContact CE2-CD1 3.77Å; Y130-L139 HydrophobicContact CG-CB 3.88Å; Y130-L139 HydrophobicContact CG-CD1 4.17Å; Y130-L139 HydrophobicContact CG-CG 4.46Å; L139-A142 PolarHBondContact O-N 3.01Å; L139-V143 HydrophobicContact CD1-CG2 4.08Å; L139-V143 HydrophobicContact CG-CG2 4.5Å; L139-V143 WeakPolarHBondContact O-CG2 3.15Å; L139-V143 PolarHBondContact O-N 3.25Å; L139-L159 HydrophobicContact CD2-CD2 3.44Å; L139-L159 VanDerWaalsContact CD2-CD2 3.44Å; L139-L159 HydrophobicContact CG-CD1 4.28Å; L139-L159 HydrophobicContact CG-CD2 3.74Å |
| 140 | E | 98.3 | Very high | 97 | Very high | 91 Ų | 91 | 63.6 Ų | 63.6 | 43% | 0.425 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 173.8 | -173.8 | 179.9 | 156.2 | 0 | 0 | 112 | T138 A142 S144 V156 | T138-E140 VanDerWaalsContact C-N 3.26Å; T138-E140 PolarHBondContact O-N 2.95Å; E140-A142 VanDerWaalsContact C-N 3.32Å; E140-A142 PolarHBondContact O-N 3.24Å; E140-S144 WeakPolarHBondContact O-CB 3.36Å; E140-S144 PolarHBondContact O-N 3.25Å; E140-S144 PolarHBondContact O-OG 3.33Å; E140-V156 HydrophobicContact CG-CG1 4.13Å; E140-V156 HydrophobicContact CG-CG2 4.22Å |
| 141 | D | 97.7 | Very high | 97 | Very high | 91 Ų | 91 | 64.1 Ų | 64.1 | 49% | 0.487 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 176.1 | -62.5 | -43.7 | 0 | 0 | 0 | 111.2 | K137 T138 G145 | K137-D141 HydrophobicContact CG-CB 4.34Å; T138-D141 WeakPolarHBondContact CB-OD2 3.46Å; T138-D141 PolarHBondContact N-OD2 2.97Å; T138-D141 PolarHBondContact O-N 3.38Å; T138-D141 PolarHBondContact OG1-N 3.41Å; T138-D141 PolarHBondContact OG1-OD2 3.43Å; D141-G145 PolarHBondContact O-N 3Å |
| 142 | A | 97.8 | Very high | 97 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.008 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.6 | -54.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | M101 Y130 T138 L139 E140 S144 G145 D146 | M101-A142 HydrophobicContact CE-CB 3.69Å; M101-A142 VanDerWaalsContact SD-C 3.59Å; M101-A142 HydrophobicContact SD-CB 3.86Å; Y130-A142 HydrophobicContact CE1-CB 4.14Å; Y130-A142 WeakPolarHBondContact OH-CB 3.29Å; T138-A142 PolarHBondContact O-N 3.45Å; L139-A142 PolarHBondContact O-N 3.01Å; E140-A142 VanDerWaalsContact C-N 3.32Å; E140-A142 PolarHBondContact O-N 3.24Å; A142-S144 PolarHBondContact O-N 2.88Å; A142-G145 PolarHBondContact O-N 2.93Å; A142-G145 VanDerWaalsContact O-N 3.1Å; A142-D146 PolarHBondContact O-N 2.83Å |
| 143 | V | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.5 | -38.2 | 177.9 | 168.2 | 0 | 0 | 0 | 0 | 111.3 | M101 L111 L139 G145 D146 T147 L155 L159 | M101-V143 HydrophobicContact CE-CG2 4.24Å; M101-V143 HydrophobicContact SD-CB 4.34Å; M101-V143 HydrophobicContact SD-CG2 3.65Å; L111-V143 HydrophobicContact CD2-CG2 4.48Å; L139-V143 HydrophobicContact CD1-CG2 4.08Å; L139-V143 HydrophobicContact CG-CG2 4.5Å; L139-V143 WeakPolarHBondContact O-CG2 3.15Å; L139-V143 PolarHBondContact O-N 3.25Å; V143-G145 VanDerWaalsContact C-N 3.29Å; V143-G145 PolarHBondContact O-N 3.39Å; V143-D146 PolarHBondContact O-N 3.04Å; V143-T147 HydrophobicContact CG1-CG2 4.43Å; V143-T147 WeakPolarHBondContact O-CB 3.42Å; V143-T147 PolarHBondContact O-N 3.22Å; V143-T147 PolarHBondContact O-OG1 3.39Å; V143-L155 HydrophobicContact CG1-CB 3.75Å; V143-L155 HydrophobicContact CG1-CD1 3.78Å; V143-L155 HydrophobicContact CG1-CG 4.47Å; V143-L159 HydrophobicContact CB-CD1 4.03Å; V143-L159 HydrophobicContact CG1-CD1 4.29Å; V143-L159 HydrophobicContact CG2-CD1 3.93Å |
| 144 | S | 97.8 | Very high | 97.2 | Very high | 38 Ų | 38 | 57.4 Ų | 57.4 | 27% | 0.266 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69.3 | -27.6 | -179.8 | -67.3 | 0 | 0 | 0 | 0 | 114 | E140 A142 K152 | E140-S144 WeakPolarHBondContact O-CB 3.36Å; E140-S144 PolarHBondContact O-N 3.25Å; E140-S144 PolarHBondContact O-OG 3.33Å; A142-S144 PolarHBondContact O-N 2.88Å; S144-K152 PolarHBondContact O-NZ 3.35Å |
| 145 | G | 97 | Very high | 97.4 | Very high | 66 Ų | 66 | 55.6 Ų | 55.6 | 68% | 0.68 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -79.9 | -33.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D141 A142 V143 | D141-G145 PolarHBondContact O-N 3Å; A142-G145 PolarHBondContact O-N 2.93Å; A142-G145 VanDerWaalsContact O-N 3.1Å; V143-G145 VanDerWaalsContact C-N 3.29Å; V143-G145 PolarHBondContact O-N 3.39Å |
| 146 | D | 97.1 | Very high | 97.6 | Very high | 55 Ų | 55 | 46.3 Ų | 46.3 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -93.3 | -15.3 | -176.9 | -81.6 | -89.5 | 0 | 0 | 0 | 114 | M101 T106 A142 V143 | M101-D146 HydrophobicContact CB-CB 4.31Å; M101-D146 HydrophobicContact CG-CB 4.09Å; M101-D146 HydrophobicContact SD-CB 4.37Å; T106-D146 HydrophobicContact CG2-CB 4.44Å; T106-D146 PolarHBondContact OG1-O 3.01Å; A142-D146 PolarHBondContact O-N 2.83Å; V143-D146 PolarHBondContact O-N 3.04Å |
| 147 | T | 97.8 | Very high | 97.8 | Very high | 13 Ų | 13 | 45.4 Ų | 45.4 | 8% | 0.08 | 26% | 0.262 | C | S | . | . | trans | -125.1 | 163 | -178.1 | 69.9 | 0 | 0 | 0 | 0 | 113 | L111 V143 F151 K152 L155 | L111-T147 HydrophobicContact CD1-CG2 3.86Å; V143-T147 HydrophobicContact CG1-CG2 4.43Å; V143-T147 WeakPolarHBondContact O-CB 3.42Å; V143-T147 PolarHBondContact O-N 3.22Å; V143-T147 PolarHBondContact O-OG1 3.39Å; T147-F151 HydrophobicContact CG2-CD1 4.13Å; T147-F151 HydrophobicContact CG2-CE1 3.82Å; T147-K152 WeakPolarHBondContact O-CD 3.23Å; T147-K152 WeakPolarHBondContact OG1-CA 3.48Å; T147-K152 VanDerWaalsContact OG1-CB 3.28Å; T147-K152 WeakPolarHBondContact OG1-CB 3.17Å; T147-L155 HydrophobicContact CG2-CD1 3.93Å | ||
| 148 | S | 97.3 | Very high | 97.9 | Very high | 90 Ų | 90 | 41.3 Ų | 41.3 | 63% | 0.629 | 25% | 0.245 | S | C | * | . | trans | -140.7 | 174.6 | -176.3 | 71.1 | 0 | 0 | 0 | 0 | 113.3 | K152 | S148-K152 PolarHBondContact O-N 3.24Š| ||
| 149 | G | 97.1 | Very high | 97.9 | Very high | 51 Ų | 51 | 39.6 Ų | 39.6 | 53% | 0.526 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | 58.5 | -147.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | F151 R153 | G149-F151 VanDerWaalsContact C-N 3.33Å; G149-R153 PolarHBondContact O-N 3.27Å |
| 150 | M | 97.1 | Very high | 97.9 | Very high | 27 Ų | 27 | 43.5 Ų | 43.5 | 13% | 0.133 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.2 | -32.5 | 178.5 | -169.2 | 59.9 | 64.9 | 0 | 0 | 112.4 | K152 R153 V154 E193 V194 L197 L235 | M150-K152 VanDerWaalsContact C-N 3.33Å; M150-K152 PolarHBondContact O-N 3.28Å; M150-R153 WeakPolarHBondContact O-CB 3.49Å; M150-R153 PolarHBondContact O-N 2.98Å; M150-R153 HydrophobicContact SD-CB 4.04Å; M150-V154 HydrophobicContact CG-CG2 4.44Å; M150-V154 WeakPolarHBondContact O-CG2 3.21Å; M150-V154 PolarHBondContact O-N 2.74Å; M150-E193 HydrophobicContact CE-CB 4.04Å; M150-E193 HydrophobicContact CG-CB 3.7Å; M150-E193 HydrophobicContact SD-CB 4.32Å; M150-V194 HydrophobicContact CE-CG2 3.61Å; M150-L197 HydrophobicContact SD-CD1 4.05Å; M150-L235 HydrophobicContact CB-CD1 3.92Å; M150-L235 HydrophobicContact CB-CD2 3.81Å; M150-L235 HydrophobicContact CG-CD1 3.68Å; M150-L235 HydrophobicContact CG-CD2 3.99Å |
| 151 | F | 98.1 | Very high | 97.8 | Very high | 21 Ų | 21 | 39.4 Ų | 39.4 | 9% | 0.092 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.2 | -48.4 | 176.8 | 178 | -122.3 | 0 | 0 | 0 | 111.1 | E108 I112 T147 G149 R153 V154 L155 S234 V238 | E108-F151 HydrophobicContact CB-CE1 4.04Å; E108-F151 HydrophobicContact CB-CZ 3.8Å; E108-F151 HydrophobicContact CG-CE1 3.62Å; E108-F151 HydrophobicContact CG-CZ 3.94Å; I112-F151 HydrophobicContact CD1-CE2 3.84Å; I112-F151 HydrophobicContact CD1-CZ 4.1Å; I112-F151 HydrophobicContact CG1-CE2 3.8Å; I112-F151 HydrophobicContact CG1-CZ 4.05Å; T147-F151 HydrophobicContact CG2-CD1 4.13Å; T147-F151 HydrophobicContact CG2-CE1 3.82Å; G149-F151 VanDerWaalsContact C-N 3.33Å; F151-R153 VanDerWaalsContact C-N 3.33Å; F151-R153 PolarHBondContact O-N 3.07Å; F151-V154 PolarHBondContact O-N 2.74Å; F151-L155 HydrophobicContact CD1-CD1 4.25Å; F151-L155 HydrophobicContact CD2-CG 4.37Å; F151-L155 HydrophobicContact CE1-CD1 3.71Å; F151-L155 HydrophobicContact CE2-CD1 4.03Å; F151-L155 HydrophobicContact CE2-CD2 3.92Å; F151-L155 HydrophobicContact CE2-CG 4.03Å; F151-L155 HydrophobicContact CZ-CD1 3.59Å; F151-L155 HydrophobicContact CZ-CD2 4.15Å; F151-L155 HydrophobicContact CZ-CG 4.11Å; F151-L155 WeakPolarHBondContact O-CG 3.31Å; F151-L155 PolarHBondContact O-N 2.76Å; F151-S234 VanDerWaalsContact CD2-O 3.27Å; F151-S234 WeakPolarHBondContact CD2-O 3.46Å; F151-S234 WeakPolarHBondContact CE2-O 3.47Å; F151-V238 HydrophobicContact CD2-CB 4.25Å; F151-V238 HydrophobicContact CD2-CG1 3.94Å; F151-V238 HydrophobicContact CE2-CB 4.01Å; F151-V238 HydrophobicContact CE2-CG1 4.22Å |
| 152 | K | 98.4 | Very high | 97.7 | Very high | 66 Ų | 66 | 37.4 Ų | 37.4 | 29% | 0.287 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -53.4 | -48.2 | 171.9 | 175 | 166.8 | 58.8 | -171.5 | 0 | 112.5 | S144 T147 S148 M150 V154 L155 V156 | S144-K152 PolarHBondContact O-NZ 3.35Å; T147-K152 WeakPolarHBondContact O-CD 3.23Å; T147-K152 WeakPolarHBondContact OG1-CA 3.48Å; T147-K152 VanDerWaalsContact OG1-CB 3.28Å; T147-K152 WeakPolarHBondContact OG1-CB 3.17Å; S148-K152 PolarHBondContact O-N 3.24Å; M150-K152 VanDerWaalsContact C-N 3.33Å; M150-K152 PolarHBondContact O-N 3.28Å; K152-V154 VanDerWaalsContact C-N 3.29Å; K152-V154 PolarHBondContact O-N 3.39Å; K152-L155 PolarHBondContact O-N 2.77Å; K152-V156 HydrophobicContact CG-CG2 4.08Å; K152-V156 WeakPolarHBondContact O-CG2 3.45Å; K152-V156 PolarHBondContact O-N 3.44Å |
| 153 | R | 98.3 | Very high | 97.7 | Very high | 150 Ų | 150 | 39.5 Ų | 39.5 | 57% | 0.566 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -61.1 | -39.6 | -177 | -66.8 | 179.7 | 177.2 | -175.1 | 0.1 | 111.7 | G149 M150 F151 S157 L197 | G149-R153 PolarHBondContact O-N 3.27Å; M150-R153 WeakPolarHBondContact O-CB 3.49Å; M150-R153 PolarHBondContact O-N 2.98Å; M150-R153 HydrophobicContact SD-CB 4.04Å; F151-R153 VanDerWaalsContact C-N 3.33Å; F151-R153 PolarHBondContact O-N 3.07Å; R153-S157 WeakPolarHBondContact O-CB 3.37Å; R153-S157 PolarHBondContact O-N 2.73Å; R153-L197 HydrophobicContact CB-CD1 3.83Å |
| 154 | V | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.2 | -49 | 175.4 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | M150 F151 K152 V156 S157 L158 L197 L235 V238 F239 I242 | M150-V154 HydrophobicContact CG-CG2 4.44Å; M150-V154 WeakPolarHBondContact O-CG2 3.21Å; M150-V154 PolarHBondContact O-N 2.74Å; F151-V154 PolarHBondContact O-N 2.74Å; K152-V154 VanDerWaalsContact C-N 3.29Å; K152-V154 PolarHBondContact O-N 3.39Å; V154-V156 PolarHBondContact O-N 2.88Å; V154-S157 WeakPolarHBondContact O-CB 3.09Å; V154-S157 PolarHBondContact O-N 3.35Å; V154-L158 HydrophobicContact CG1-CD1 4.32Å; V154-L158 WeakPolarHBondContact O-CG 3.41Å; V154-L158 PolarHBondContact O-N 3.02Å; V154-L197 HydrophobicContact CG2-CB 4.44Å; V154-L197 HydrophobicContact CG2-CD1 3.9Å; V154-L197 HydrophobicContact CG2-CG 4.22Å; V154-L235 HydrophobicContact CG2-CD1 4.05Å; V154-V238 HydrophobicContact CB-CG1 4.16Å; V154-V238 HydrophobicContact CG1-CB 4.39Å; V154-V238 HydrophobicContact CG1-CG1 3.72Å; V154-V238 HydrophobicContact CG1-CG2 3.7Å; V154-V238 HydrophobicContact CG2-CG1 4.47Å; V154-F239 HydrophobicContact CG1-CE1 4.48Å; V154-F239 HydrophobicContact CG2-CE1 3.93Å; V154-F239 HydrophobicContact CG2-CE2 4.07Å; V154-F239 HydrophobicContact CG2-CZ 3.52Å; V154-I242 HydrophobicContact CG1-CD1 3.99Å |
| 155 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 179.7 | -60.8 | -178.6 | 0 | 0 | 0 | 112.1 | L111 L115 V143 T147 F151 K152 S157 L158 L159 V238 | L111-L155 HydrophobicContact CB-CD1 4.18Å; L111-L155 HydrophobicContact CB-CD2 4.48Å; L111-L155 HydrophobicContact CD1-CD1 3.85Å; L115-L155 HydrophobicContact CD1-CB 4.09Å; L115-L155 HydrophobicContact CD1-CD2 4.01Å; V143-L155 HydrophobicContact CG1-CB 3.75Å; V143-L155 HydrophobicContact CG1-CD1 3.78Å; V143-L155 HydrophobicContact CG1-CG 4.47Å; T147-L155 HydrophobicContact CG2-CD1 3.93Å; F151-L155 HydrophobicContact CD1-CD1 4.25Å; F151-L155 HydrophobicContact CD2-CG 4.37Å; F151-L155 HydrophobicContact CE1-CD1 3.71Å; F151-L155 HydrophobicContact CE2-CD1 4.03Å; F151-L155 HydrophobicContact CE2-CD2 3.92Å; F151-L155 HydrophobicContact CE2-CG 4.03Å; F151-L155 HydrophobicContact CZ-CD1 3.59Å; F151-L155 HydrophobicContact CZ-CD2 4.15Å; F151-L155 HydrophobicContact CZ-CG 4.11Å; F151-L155 WeakPolarHBondContact O-CG 3.31Å; F151-L155 PolarHBondContact O-N 2.76Å; K152-L155 PolarHBondContact O-N 2.77Å; L155-S157 VanDerWaalsContact C-N 3.32Å; L155-S157 PolarHBondContact O-N 3.19Å; L155-L158 PolarHBondContact O-N 2.87Å; L155-L159 WeakPolarHBondContact O-CG 3.43Å; L155-L159 PolarHBondContact O-N 2.91Å; L155-V238 HydrophobicContact CD2-CG2 4.01Å |
| 156 | V | 98.3 | Very high | 97.6 | Very high | 28 Ų | 28 | 46 Ų | 46 | 17% | 0.17 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 175.1 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | E140 K152 V154 L158 L159 T160 | E140-V156 HydrophobicContact CG-CG1 4.13Å; E140-V156 HydrophobicContact CG-CG2 4.22Å; K152-V156 HydrophobicContact CG-CG2 4.08Å; K152-V156 WeakPolarHBondContact O-CG2 3.45Å; K152-V156 PolarHBondContact O-N 3.44Å; V154-V156 PolarHBondContact O-N 2.88Å; V156-L158 VanDerWaalsContact C-N 3.3Å; V156-L158 PolarHBondContact O-N 3.26Å; V156-L159 WeakPolarHBondContact O-CB 3.33Å; V156-L159 PolarHBondContact O-N 3.37Å; V156-L159 VanDerWaalsContact O-N 3.12Å; V156-T160 VanDerWaalsContact O-CG2 3.29Å; V156-T160 WeakPolarHBondContact O-CG2 3.44Å; V156-T160 PolarHBondContact O-N 3.46Å; V156-T160 VanDerWaalsContact O-N 3.07Å |
| 157 | S | 98.3 | Very high | 97.6 | Very high | 23 Ų | 23 | 49.6 Ų | 49.6 | 16% | 0.161 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.1 | -41.5 | 175.6 | -174.5 | 0 | 0 | 0 | 0 | 112.3 | R153 V154 L155 T160 C201 | R153-S157 WeakPolarHBondContact O-CB 3.37Å; R153-S157 PolarHBondContact O-N 2.73Å; V154-S157 WeakPolarHBondContact O-CB 3.09Å; V154-S157 PolarHBondContact O-N 3.35Å; L155-S157 VanDerWaalsContact C-N 3.32Å; L155-S157 PolarHBondContact O-N 3.19Å; S157-T160 PolarHBondContact O-N 2.85Å; S157-T160 PolarHBondContact O-OG1 2.87Å; S157-C201 WeakPolarHBondContact OG-CB 3.5Å |
| 158 | L | 98.4 | Very high | 97.5 | Very high | 17 Ų | 17 | 56.8 Ų | 56.8 | 9% | 0.089 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.1 | -39.7 | 176.3 | -64.3 | 171.3 | 0 | 0 | 0 | 111.4 | L115 V154 L155 V156 T160 A161 V238 I242 | L115-L158 HydrophobicContact CB-CB 4.15Å; L115-L158 HydrophobicContact CB-CD1 3.94Å; V154-L158 HydrophobicContact CG1-CD1 4.32Å; V154-L158 WeakPolarHBondContact O-CG 3.41Å; V154-L158 PolarHBondContact O-N 3.02Å; L155-L158 PolarHBondContact O-N 2.87Å; V156-L158 VanDerWaalsContact C-N 3.3Å; V156-L158 PolarHBondContact O-N 3.26Å; L158-T160 VanDerWaalsContact C-N 3.26Å; L158-T160 PolarHBondContact O-N 3.3Å; L158-A161 PolarHBondContact O-N 3.37Å; L158-A161 VanDerWaalsContact O-N 3.12Å; L158-V238 HydrophobicContact CD1-CG2 4.26Å; L158-I242 HydrophobicContact CD1-CD1 4.21Å; L158-I242 HydrophobicContact CD1-CG1 4.42Å; L158-I242 HydrophobicContact CD2-CD1 4.21Å; L158-I242 HydrophobicContact CD2-CG1 4.4Å |
| 159 | L | 98 | Very high | 97.6 | Very high | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.1 | -26.8 | 178.1 | -75 | 171.9 | 0 | 0 | 0 | 114 | L115 I123 N127 L139 V143 L155 V156 A161 | L115-L159 HydrophobicContact CD1-CD1 4.4Å; L115-L159 HydrophobicContact CD1-CD2 4.08Å; L115-L159 HydrophobicContact CD1-CG 3.96Å; L115-L159 HydrophobicContact CD2-CD2 3.48Å; L115-L159 VanDerWaalsContact CD2-CD2 3.48Å; L115-L159 HydrophobicContact CD2-CG 4.15Å; L115-L159 HydrophobicContact CG-CD2 4.46Å; I123-L159 WeakPolarHBondContact CG2-O 3.25Å; N127-L159 PolarHBondContact ND2-O 3.18Å; L139-L159 HydrophobicContact CD2-CD2 3.44Å; L139-L159 VanDerWaalsContact CD2-CD2 3.44Å; L139-L159 HydrophobicContact CG-CD1 4.28Å; L139-L159 HydrophobicContact CG-CD2 3.74Å; V143-L159 HydrophobicContact CB-CD1 4.03Å; V143-L159 HydrophobicContact CG1-CD1 4.29Å; V143-L159 HydrophobicContact CG2-CD1 3.93Å; L155-L159 WeakPolarHBondContact O-CG 3.43Å; L155-L159 PolarHBondContact O-N 2.91Å; V156-L159 WeakPolarHBondContact O-CB 3.33Å; V156-L159 PolarHBondContact O-N 3.37Å; V156-L159 VanDerWaalsContact O-N 3.12Å; L159-A161 PolarHBondContact O-N 2.85Å |
| 160 | T | 96.9 | Very high | 97.6 | Very high | 82 Ų | 82 | 57 Ų | 57 | 50% | 0.503 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -16.9 | 175.2 | 69.7 | 0 | 0 | 0 | 0 | 113.2 | V156 S157 L158 G162 | V156-T160 VanDerWaalsContact O-CG2 3.29Å; V156-T160 WeakPolarHBondContact O-CG2 3.44Å; V156-T160 PolarHBondContact O-N 3.46Å; V156-T160 VanDerWaalsContact O-N 3.07Å; S157-T160 PolarHBondContact O-N 2.85Å; S157-T160 PolarHBondContact O-OG1 2.87Å; L158-T160 VanDerWaalsContact C-N 3.26Å; L158-T160 PolarHBondContact O-N 3.3Å; T160-G162 PolarHBondContact O-N 3.16Å; T160-G162 PolarHBondContact OG1-N 2.92Å |
| 161 | A | 97.3 | Very high | 97.7 | Very high | 6 Ų | 6 | 59.7 Ų | 59.7 | 5% | 0.05 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 38.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N120 I123 K124 L158 L159 | N120-A161 HydrophobicContact CB-CB 3.84Å; N120-A161 PolarHBondContact ND2-O 2.68Å; N120-A161 VanDerWaalsContact ND2-O 3.13Å; N120-A161 WeakPolarHBondContact O-CB 3.4Å; N120-A161 PolarHBondContact OD1-O 2.81Å; I123-A161 HydrophobicContact CB-CB 4.12Å; I123-A161 HydrophobicContact CG2-CB 3.96Å; K124-A161 HydrophobicContact CD-CB 4.36Å; K124-A161 HydrophobicContact CG-CB 3.79Å; L158-A161 PolarHBondContact O-N 3.37Å; L158-A161 VanDerWaalsContact O-N 3.12Å; L159-A161 PolarHBondContact O-N 2.85Å |
| 162 | G | 96.4 | Very high | 97.7 | Very high | 48 Ų | 48 | 62.3 Ų | 62.3 | 50% | 0.495 | 34% | 0.336 | S | S | . | . | trans | -98.3 | 12.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | T160 | T160-G162 PolarHBondContact O-N 3.16Å; T160-G162 PolarHBondContact OG1-N 2.92Å | ||
| 163 | R | 96.9 | Very high | 97.7 | Very high | 46 Ų | 46 | 62.1 Ų | 62.1 | 17% | 0.174 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -64.2 | 139.2 | 175.2 | -174.8 | 179.2 | -64.8 | -79.4 | -0.2 | 109.9 | N120 E165 L200 V202 R203 | N120-R163 PolarHBondContact ND2-O 3.44Å; R163-E165 PolarHBondContact O-N 3.12Å; R163-L200 VanDerWaalsContact CZ-O 3.26Å; R163-L200 PolarHBondContact NH1-O 3.31Å; R163-L200 PolarHBondContact NH2-O 2.64Å; R163-V202 CarbonylContact C-O 3.58Å; R163-V202 WeakPolarHBondContact CA-O 3.47Å; R163-R203 WeakPolarHBondContact CG-O 3.38Å; R163-R203 PolarHBondContact NH1-O 2.8Å |
| 164 | D | 97.9 | Very high | 97.7 | Very high | 68 Ų | 68 | 55 Ų | 55 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | trans | -57.7 | 124 | 171.5 | 175.9 | 24.6 | 0 | 0 | 0 | 110.5 | S166 V202 N204 | D164-S166 VanDerWaalsContact CG-OG 3.32Å; D164-S166 WeakPolarHBondContact OD1-CB 3.26Å; D164-S166 PolarHBondContact OD1-N 2.9Å; D164-S166 PolarHBondContact OD1-OG 3.21Å; D164-S166 PolarHBondContact OD2-OG 2.92Å; D164-V202 PolarHBondContact N-O 3.48Å; D164-N204 HydrophobicContact CB-CB 3.98Å; D164-N204 WeakPolarHBondContact O-CA 3.4Å; D164-N204 WeakPolarHBondContact O-CB 3.26Å; D164-N204 PolarHBondContact OD2-ND2 2.87Å | ||
| 165 | E | 96.4 | Very high | 97.7 | Very high | 133 Ų | 133 | 57.9 Ų | 57.9 | 62% | 0.621 | 33% | 0.329 | S | S | * | . | trans | -97 | 2 | 178.9 | -62.1 | -171.9 | 118.5 | 0 | 0 | 112.4 | N120 R163 | N120-E165 WeakPolarHBondContact CB-OE1 3.39Å; N120-E165 VanDerWaalsContact ND2-CG 3.26Å; N120-E165 WeakPolarHBondContact ND2-CG 3.48Å; R163-E165 PolarHBondContact O-N 3.12Å | ||
| 166 | S | 96.8 | Very high | 97.6 | Very high | 38 Ų | 38 | 62.1 Ų | 62.1 | 27% | 0.266 | 35% | 0.349 | S | S | . | . | trans | -73 | 154.7 | 172.5 | 86.9 | 0 | 0 | 0 | 0 | 111.5 | D164 K168 N204 | D164-S166 VanDerWaalsContact CG-OG 3.32Å; D164-S166 WeakPolarHBondContact OD1-CB 3.26Å; D164-S166 PolarHBondContact OD1-N 2.9Å; D164-S166 PolarHBondContact OD1-OG 3.21Å; D164-S166 PolarHBondContact OD2-OG 2.92Å; S166-K168 VanDerWaalsContact C-N 3.26Å; S166-K168 PolarHBondContact OG-N 3.05Å; S166-N204 WeakPolarHBondContact O-CB 3.44Å; S166-N204 PolarHBondContact O-ND2 3.42Å | ||
| 167 | D | 95.8 | Very high | 97.6 | Very high | 131 Ų | 131 | 61 Ų | 61 | 70% | 0.701 | 34% | 0.342 | S | S | * | . | trans | -88.2 | 7.1 | 171.5 | -74.1 | -51.2 | 0 | 0 | 0 | 113 | N206 | D167-N206 WeakPolarHBondContact CA-ND2 3.47Å; D167-N206 WeakPolarHBondContact CB-ND2 3.48Å; D167-N206 PolarHBondContact O-ND2 3.39Å; D167-N206 PolarHBondContact OD1-ND2 2.97Å | ||
| 168 | K | 97.1 | Very high | 97.6 | Very high | 164 Ų | 164 | 60 Ų | 60 | 71% | 0.713 | 34% | 0.335 | S | S | * | . | trans | -73.9 | 136.4 | -171.7 | -65.5 | -177.8 | 178.7 | 179.3 | 0 | 111.2 | S166 N204 | S166-K168 VanDerWaalsContact C-N 3.26Å; S166-K168 PolarHBondContact OG-N 3.05Å; K168-N204 PolarHBondContact O-ND2 3.1Å | ||
| 169 | V | 98.2 | Very high | 97.5 | Very high | 60 Ų | 60 | 63.5 Ų | 63.5 | 36% | 0.364 | 35% | 0.349 | S | S | . | . | trans | -114.8 | 128.5 | 171.9 | -176.3 | 0 | 0 | 0 | 0 | 108.1 | N206 R210 | V169-N206 HydrophobicContact CG2-CB 3.61Å; V169-R210 HydrophobicContact CG1-CB 3.95Å; V169-R210 HydrophobicContact CG1-CG 3.99Å | ||
| 170 | D | 97.9 | Very high | 97.4 | Very high | 85 Ų | 85 | 64.9 Ų | 64.9 | 46% | 0.455 | 36% | 0.356 | S | S | . | . | trans | -105.6 | 104 | 168.2 | 179.9 | -28.5 | 0 | 0 | 0 | 106.2 | A172 L173 A174 H207 | D170-A172 VanDerWaalsContact C-N 3.31Å; D170-A172 PolarHBondContact O-N 3.3Å; D170-A172 PolarHBondContact OD1-N 2.99Å; D170-A172 VanDerWaalsContact OD1-N 3.1Å; D170-L173 HydrophobicContact CB-CB 3.9Å; D170-L173 PolarHBondContact O-N 3.41Å; D170-L173 PolarHBondContact OD1-N 3.37Å; D170-A174 WeakPolarHBondContact O-CB 3.42Å; D170-A174 PolarHBondContact O-N 3.35Å; D170-H207 PolarHBondContact O-CE1 3.49Å | ||
| 171 | D | 98.1 | Very high | 97.3 | Very high | 85 Ų | 85 | 61 Ų | 61 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.9 | -36.8 | -175.9 | -80.9 | -78.4 | 0 | 0 | 0 | 112.9 | A174 V175 R210 | D171-A174 PolarHBondContact O-N 3.47Å; D171-V175 WeakPolarHBondContact O-CG2 3.36Å; D171-V175 PolarHBondContact O-N 2.89Å; D171-V175 VanDerWaalsContact O-N 3.07Å; D171-R210 IonicContact OD1-CZ 3.34Å; D171-R210 IonicContact OD1-NE 3.04Å; D171-R210 PolarHBondContact OD1-NE 3.21Å; D171-R210 IonicContact OD1-NH2 2.82Å |
| 172 | A | 98.3 | Very high | 97.2 | Very high | 75 Ų | 75 | 64 Ų | 64 | 62% | 0.62 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -68.3 | -43.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | D170 A174 V175 Q176 | D170-A172 VanDerWaalsContact C-N 3.31Å; D170-A172 PolarHBondContact O-N 3.3Å; D170-A172 PolarHBondContact OD1-N 2.99Å; D170-A172 VanDerWaalsContact OD1-N 3.1Å; A172-A174 VanDerWaalsContact C-N 3.33Å; A172-V175 PolarHBondContact O-N 2.83Å; A172-Q176 PolarHBondContact O-N 3Å |
| 173 | L | 98.3 | Very high | 97 | Very high | 62 Ų | 62 | 65.5 Ų | 65.5 | 33% | 0.325 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.5 | -36.5 | 173.8 | -179 | 61.8 | 0 | 0 | 0 | 111.8 | D170 V175 Q176 D177 | D170-L173 HydrophobicContact CB-CB 3.9Å; D170-L173 PolarHBondContact O-N 3.41Å; D170-L173 PolarHBondContact OD1-N 3.37Å; L173-V175 VanDerWaalsContact C-N 3.34Å; L173-V175 PolarHBondContact O-N 3.48Å; L173-Q176 CarbonylContact O-C 3.52Å; L173-Q176 PolarHBondContact O-N 3.05Å; L173-Q176 VanDerWaalsContact O-N 3.15Å; L173-D177 WeakPolarHBondContact O-CB 3.1Å; L173-D177 PolarHBondContact O-N 3.5Å |
| 174 | A | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D170 D171 A172 A178 R210 V211 | D170-A174 WeakPolarHBondContact O-CB 3.42Å; D170-A174 PolarHBondContact O-N 3.35Å; D171-A174 PolarHBondContact O-N 3.47Å; A172-A174 VanDerWaalsContact C-N 3.33Å; A174-A178 VanDerWaalsContact O-CB 3.31Å; A174-A178 WeakPolarHBondContact O-CB 3.2Å; A174-A178 PolarHBondContact O-N 3.48Å; A174-R210 HydrophobicContact CB-CB 4Å; A174-R210 HydrophobicContact CB-CG 3.58Å; A174-V211 HydrophobicContact CB-CG2 3.94Å |
| 175 | V | 98.4 | Very high | 96.1 | Very high | 61 Ų | 61 | 60.1 Ų | 60.1 | 37% | 0.37 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 171.8 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | D171 A172 L173 A178 K179 E214 | D171-V175 WeakPolarHBondContact O-CG2 3.36Å; D171-V175 PolarHBondContact O-N 2.89Å; D171-V175 VanDerWaalsContact O-N 3.07Å; A172-V175 PolarHBondContact O-N 2.83Å; L173-V175 VanDerWaalsContact C-N 3.34Å; L173-V175 PolarHBondContact O-N 3.48Å; V175-A178 PolarHBondContact O-N 3.41Å; V175-K179 WeakPolarHBondContact O-CB 3.28Å; V175-K179 PolarHBondContact O-N 3.23Å; V175-E214 HydrophobicContact CG2-CG 3.81Å |
| 176 | Q | 98.2 | Very high | 95.4 | Very high | 89 Ų | 89 | 55.7 Ų | 55.7 | 42% | 0.416 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.9 | -46.7 | 179 | -173.5 | 61.4 | 55.2 | 0 | 0 | 112.2 | A172 L173 A178 K179 D180 | A172-Q176 PolarHBondContact O-N 3Å; L173-Q176 CarbonylContact O-C 3.52Å; L173-Q176 PolarHBondContact O-N 3.05Å; L173-Q176 VanDerWaalsContact O-N 3.15Å; Q176-A178 VanDerWaalsContact C-N 3.29Å; Q176-A178 PolarHBondContact O-N 3.41Å; Q176-K179 PolarHBondContact O-N 2.9Å; Q176-D180 PolarHBondContact NE2-OD1 3.27Å; Q176-D180 WeakPolarHBondContact O-CB 3.48Å; Q176-D180 PolarHBondContact O-N 3.29Å |
| 177 | D | 98.2 | Very high | 94.2 | Very high | 6 Ų | 6 | 56.6 Ų | 56.6 | 3% | 0.032 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.4 | -40.3 | 177.1 | -82.2 | -10.6 | 0 | 0 | 0 | 110.7 | L173 D180 I181 V199 R203 H207 V211 | L173-D177 WeakPolarHBondContact O-CB 3.1Å; L173-D177 PolarHBondContact O-N 3.5Å; D177-D180 PolarHBondContact O-N 3.16Å; D177-I181 VanDerWaalsContact O-CG1 3.27Å; D177-I181 WeakPolarHBondContact O-CG1 3.12Å; D177-I181 PolarHBondContact O-N 2.95Å; D177-V199 HydrophobicContact CB-CG1 3.98Å; D177-V199 HydrophobicContact CB-CG2 4.08Å; D177-R203 IonicContact OD1-CZ 2.84Å; D177-R203 IonicContact OD1-NE 2.78Å; D177-R203 IonicContact OD1-NH2 3.95Å; D177-R203 PolarHBondContact OD1-NH2 2.58Å; D177-R203 IonicContact OD2-CZ 2.95Å; D177-R203 IonicContact OD2-NE 3.89Å; D177-R203 PolarHBondContact OD2-NE 2.98Å; D177-R203 IonicContact OD2-NH2 2.72Å; D177-R203 PolarHBondContact OD2-NH2 3.16Å; D177-H207 IonicContact OD2-CD2 2.88Å; D177-H207 IonicContact OD2-NE2 3.8Å; D177-H207 PolarHBondContact OD2-NE2 3.32Å; D177-V211 HydrophobicContact CB-CG1 4.31Å; D177-V211 HydrophobicContact CB-CG2 3.84Å |
| 178 | A | 98 | Very high | 93.4 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63 | -43.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A174 V175 Q176 I181 Y182 V211 E214 Y215 I218 | A174-A178 VanDerWaalsContact O-CB 3.31Å; A174-A178 WeakPolarHBondContact O-CB 3.2Å; A174-A178 PolarHBondContact O-N 3.48Å; V175-A178 PolarHBondContact O-N 3.41Å; Q176-A178 VanDerWaalsContact C-N 3.29Å; Q176-A178 PolarHBondContact O-N 3.41Å; A178-I181 PolarHBondContact O-N 2.99Å; A178-Y182 PolarHBondContact O-N 3.31Å; A178-V211 HydrophobicContact CB-CG1 4.16Å; A178-E214 HydrophobicContact CB-CB 3.7Å; A178-Y215 WeakPolarHBondContact O-CD2 3.34Å; A178-I218 HydrophobicContact CB-CD1 3.96Å |
| 179 | K | 96.7 | Very high | 91.9 | Very high | 92 Ų | 92 | 60.9 Ų | 60.9 | 40% | 0.4 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 175.9 | -176.7 | 177.6 | 171.7 | -178.4 | 0 | 111.6 | V175 Q176 I181 Y182 E183 I218 | V175-K179 WeakPolarHBondContact O-CB 3.28Å; V175-K179 PolarHBondContact O-N 3.23Å; Q176-K179 PolarHBondContact O-N 2.9Å; K179-I181 VanDerWaalsContact C-N 3.33Å; K179-I181 PolarHBondContact O-N 3.39Å; K179-Y182 PolarHBondContact O-N 2.91Å; K179-Y182 VanDerWaalsContact O-N 3.17Å; K179-E183 WeakPolarHBondContact CE-OE1 3.48Å; K179-E183 HydrophobicContact CG-CG 4.36Å; K179-E183 IonicContact NZ-OE1 3.77Å; K179-E183 WeakPolarHBondContact O-CB 3.38Å; K179-E183 WeakPolarHBondContact O-CG 3.26Å; K179-E183 PolarHBondContact O-N 3.45Å; K179-I218 HydrophobicContact CB-CD1 4.14Å |
| 180 | D | 95.3 | Very high | 90.8 | Very high | 31 Ų | 31 | 59.8 Ų | 59.8 | 17% | 0.166 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.3 | -44.3 | 177.2 | -89.6 | 31.8 | 0 | 0 | 0 | 111.3 | Q176 D177 A184 K195 | Q176-D180 PolarHBondContact NE2-OD1 3.27Å; Q176-D180 WeakPolarHBondContact O-CB 3.48Å; Q176-D180 PolarHBondContact O-N 3.29Å; D177-D180 PolarHBondContact O-N 3.16Å; D180-A184 WeakPolarHBondContact O-CB 3.23Å; D180-A184 PolarHBondContact O-N 3.35Å; D180-K195 IonicContact OD2-NZ 3.78Å; D180-K195 PolarHBondContact OD2-NZ 2.97Å |
| 181 | I | 95.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 176.3 | -68.3 | 171.4 | 0 | 0 | 0 | 110.8 | D177 A178 K179 A184 G185 F196 V199 V211 Y215 I223 | D177-I181 VanDerWaalsContact O-CG1 3.27Å; D177-I181 WeakPolarHBondContact O-CG1 3.12Å; D177-I181 PolarHBondContact O-N 2.95Å; A178-I181 PolarHBondContact O-N 2.99Å; K179-I181 VanDerWaalsContact C-N 3.33Å; K179-I181 PolarHBondContact O-N 3.39Å; I181-A184 PolarHBondContact O-N 3.35Å; I181-G185 PolarHBondContact O-N 3.36Å; I181-G185 VanDerWaalsContact O-N 3.11Å; I181-F196 HydrophobicContact CG2-CD1 4.13Å; I181-F196 HydrophobicContact CG2-CE1 3.56Å; I181-F196 HydrophobicContact CG2-CE2 4.03Å; I181-F196 HydrophobicContact CG2-CZ 3.51Å; I181-V199 HydrophobicContact CD1-CB 3.96Å; I181-V199 HydrophobicContact CD1-CG1 3.74Å; I181-V199 HydrophobicContact CD1-CG2 4.28Å; I181-V199 HydrophobicContact CG1-CB 4.42Å; I181-V199 HydrophobicContact CG1-CG2 4.29Å; I181-V211 HydrophobicContact CD1-CG1 4.12Å; I181-Y215 HydrophobicContact CB-CD2 4.2Å; I181-Y215 HydrophobicContact CB-CE2 4.08Å; I181-Y215 HydrophobicContact CG2-CD2 3.96Å; I181-Y215 HydrophobicContact CG2-CE2 3.54Å; I181-I223 HydrophobicContact CD1-CD1 4.06Å; I181-I223 HydrophobicContact CG2-CD1 3.96Å |
| 182 | Y | 94.2 | Very high | 89.6 | Confident | 69 Ų | 69 | 55.4 Ų | 55.4 | 27% | 0.271 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 178.8 | 176 | -104.4 | 0 | 0 | 0 | 111.4 | A178 K179 A184 G185 E186 A187 I218 | A178-Y182 PolarHBondContact O-N 3.31Å; K179-Y182 PolarHBondContact O-N 2.91Å; K179-Y182 VanDerWaalsContact O-N 3.17Å; Y182-A184 VanDerWaalsContact C-N 3.28Å; Y182-A184 PolarHBondContact O-N 2.62Å; Y182-G185 CarbonylContact O-C 3.53Å; Y182-G185 PolarHBondContact O-N 3.35Å; Y182-E186 HydrophobicContact CD2-CB 4Å; Y182-E186 HydrophobicContact CE2-CB 3.73Å; Y182-E186 HydrophobicContact CE2-CG 4.5Å; Y182-E186 PolarHBondContact O-N 2.79Å; Y182-A187 HydrophobicContact CD1-CB 4.17Å; Y182-A187 HydrophobicContact CE1-CB 3.88Å; Y182-A187 PolarHBondContact O-N 3.38Å; Y182-A187 VanDerWaalsContact O-N 3.12Å; Y182-I218 HydrophobicContact CD1-CG2 3.72Å; Y182-I218 HydrophobicContact CD2-CG2 4.33Å; Y182-I218 HydrophobicContact CE1-CG2 4.23Å; Y182-I218 HydrophobicContact CG-CG2 3.76Å |
| 183 | E | 93 | Very high | 89.2 | Confident | 80 Ų | 80 | 55 Ų | 55 | 37% | 0.374 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.9 | -29.8 | 177.7 | -72.6 | -179.4 | 176.3 | 0 | 0 | 112.8 | K179 R188 | K179-E183 WeakPolarHBondContact CE-OE1 3.48Å; K179-E183 HydrophobicContact CG-CG 4.36Å; K179-E183 IonicContact NZ-OE1 3.77Å; K179-E183 WeakPolarHBondContact O-CB 3.38Å; K179-E183 WeakPolarHBondContact O-CG 3.26Å; K179-E183 PolarHBondContact O-N 3.45Å; E183-R188 PolarHBondContact O-NE 2.88Å; E183-R188 PolarHBondContact O-NH2 3.39Å |
| 184 | A | 89.3 | Confident | 89 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -76.8 | -21.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | D180 I181 Y182 T191 D192 K195 F196 | D180-A184 WeakPolarHBondContact O-CB 3.23Å; D180-A184 PolarHBondContact O-N 3.35Å; I181-A184 PolarHBondContact O-N 3.35Å; Y182-A184 VanDerWaalsContact C-N 3.28Å; Y182-A184 PolarHBondContact O-N 2.62Å; A184-T191 CarbonylContact O-C 3.27Å; A184-T191 WeakPolarHBondContact O-CA 3.42Å; A184-D192 HydrophobicContact CB-CB 3.92Å; A184-D192 PolarHBondContact O-N 2.96Å; A184-K195 HydrophobicContact CB-CB 3.7Å; A184-K195 HydrophobicContact CB-CG 4.1Å; A184-F196 HydrophobicContact CB-CE2 4.24Å |
| 185 | G | 87.3 | Confident | 88.7 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | -97.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | I181 Y182 A187 R188 | I181-G185 PolarHBondContact O-N 3.36Å; I181-G185 VanDerWaalsContact O-N 3.11Å; Y182-G185 CarbonylContact O-C 3.53Å; Y182-G185 PolarHBondContact O-N 3.35Å; G185-A187 PolarHBondContact O-N 3.15Å; G185-R188 WeakPolarHBondContact O-CG 3.39Å; G185-R188 PolarHBondContact O-N 2.98Å |
| 186 | E | 81.7 | Confident | 88.6 | Confident | 40 Ų | 40 | 55.8 Ų | 55.8 | 19% | 0.187 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -25.5 | -167.3 | -59.8 | -152.9 | 169.1 | 0 | 0 | 116.1 | Y182 R188 K221 S226 | Y182-E186 HydrophobicContact CD2-CB 4Å; Y182-E186 HydrophobicContact CE2-CB 3.73Å; Y182-E186 HydrophobicContact CE2-CG 4.5Å; Y182-E186 PolarHBondContact O-N 2.79Å; E186-R188 VanDerWaalsContact C-N 3.27Å; E186-R188 PolarHBondContact O-N 3.27Å; E186-K221 WeakPolarHBondContact OE1-CD 3.44Å; E186-K221 IonicContact OE1-NZ 2.83Å; E186-K221 PolarHBondContact OE1-NZ 3.21Å; E186-K221 IonicContact OE2-NZ 3.86Å; E186-K221 PolarHBondContact OE2-NZ 2.7Å; E186-S226 VanDerWaalsContact OE1-CB 3.24Å; E186-S226 WeakPolarHBondContact OE1-CB 3.3Å; E186-S226 PolarHBondContact OE1-OG 3.07Å |
| 187 | A | 70.8 | Confident | 88.5 | Confident | 58 Ų | 58 | 52.7 Ų | 52.7 | 48% | 0.479 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -1.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y182 G185 | Y182-A187 HydrophobicContact CD1-CB 4.17Å; Y182-A187 HydrophobicContact CE1-CB 3.88Å; Y182-A187 PolarHBondContact O-N 3.38Å; Y182-A187 VanDerWaalsContact O-N 3.12Å; G185-A187 PolarHBondContact O-N 3.15Å |
| 188 | R | 79.8 | Confident | 88.3 | Confident | 120 Ų | 120 | 55.2 Ų | 55.2 | 45% | 0.453 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -137.7 | 171.4 | -178.5 | 69.5 | 176.5 | 64.7 | 175.8 | 4.1 | 111.7 | E183 G185 E186 G190 D192 | E183-R188 PolarHBondContact O-NE 2.88Å; E183-R188 PolarHBondContact O-NH2 3.39Å; G185-R188 WeakPolarHBondContact O-CG 3.39Å; G185-R188 PolarHBondContact O-N 2.98Å; E186-R188 VanDerWaalsContact C-N 3.27Å; E186-R188 PolarHBondContact O-N 3.27Å; R188-G190 VanDerWaalsContact CG-O 3.27Å; R188-G190 WeakPolarHBondContact CG-O 3.27Å; R188-D192 IonicContact NH1-OD2 3.97Å |
| 189 | W | 63.7 | Low | 88.2 | Confident | 264 Ų | 264 | 55.4 Ų | 55.4 | 100% | 1 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -88.4 | 123.2 | 167.8 | -173.3 | 63.9 | 0 | 0 | 0 | 109.8 | ||
| 190 | G | 75.4 | Confident | 88.3 | Confident | 38 Ų | 38 | 51 Ų | 51 | 39% | 0.392 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 82.8 | -178.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R188 | R188-G190 VanDerWaalsContact CG-O 3.27Å; R188-G190 WeakPolarHBondContact CG-O 3.27Å |
| 191 | T | 82.9 | Confident | 88.4 | Confident | 25 Ų | 25 | 49.7 Ų | 49.7 | 15% | 0.153 | 25% | 0.246 | C | C | . | . | trans | -131 | 132.1 | -169.3 | -46.8 | 0 | 0 | 0 | 0 | 110.7 | A184 E193 F196 E230 M231 | A184-T191 CarbonylContact O-C 3.27Å; A184-T191 WeakPolarHBondContact O-CA 3.42Å; T191-E193 HydrophobicContact CG2-CG 4.15Å; T191-E193 VanDerWaalsContact O-CD 3.28Å; T191-E193 PolarHBondContact O-N 3.23Å; T191-F196 HydrophobicContact CG2-CD2 4.14Å; T191-F196 HydrophobicContact CG2-CE2 3.77Å; T191-F196 HydrophobicContact CG2-CZ 4.5Å; T191-E230 HydrophobicContact CG2-CB 4.29Å; T191-E230 WeakPolarHBondContact OG1-CB 3.48Å; T191-E230 PolarHBondContact OG1-O 3.47Å; T191-M231 HydrophobicContact CG2-CE 3.58Å; T191-M231 HydrophobicContact CG2-CG 4.47Å | ||
| 192 | D | 88.6 | Confident | 88.4 | Confident | 52 Ų | 52 | 52.3 Ų | 52.3 | 28% | 0.278 | 26% | 0.261 | S | S | . | . | trans | -86.6 | 87.5 | 167.3 | -178.9 | -10 | 0 | 0 | 0 | 109 | A184 R188 V194 K195 | A184-D192 HydrophobicContact CB-CB 3.92Å; A184-D192 PolarHBondContact O-N 2.96Å; R188-D192 IonicContact NH1-OD2 3.97Å; D192-V194 PolarHBondContact O-N 2.84Å; D192-V194 WeakPolarHBondContact OD1-CB 3.3Å; D192-V194 PolarHBondContact OD1-N 2.74Å; D192-K195 HydrophobicContact CB-CG 4.47Å; D192-K195 PolarHBondContact O-N 3.4Å; D192-K195 PolarHBondContact OD1-N 3.08Å | ||
| 193 | E | 90.6 | Very high | 88.6 | Confident | 67 Ų | 67 | 52 Ų | 52 | 31% | 0.313 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -71.9 | -15.6 | -172 | -43 | 97.5 | 146.8 | 0 | 0 | 112.4 | M150 T191 K195 F196 L197 M231 L235 | M150-E193 HydrophobicContact CE-CB 4.04Å; M150-E193 HydrophobicContact CG-CB 3.7Å; M150-E193 HydrophobicContact SD-CB 4.32Å; T191-E193 HydrophobicContact CG2-CG 4.15Å; T191-E193 VanDerWaalsContact O-CD 3.28Å; T191-E193 PolarHBondContact O-N 3.23Å; E193-K195 VanDerWaalsContact C-N 3.31Å; E193-F196 PolarHBondContact O-N 2.99Å; E193-L197 PolarHBondContact O-N 3.4Å; E193-M231 HydrophobicContact CB-CE 4.41Å; E193-M231 HydrophobicContact CG-CE 4.25Å; E193-L235 HydrophobicContact CB-CD2 4.29Å; E193-L235 HydrophobicContact CG-CD2 3.93Å |
| 194 | V | 93 | Very high | 88.8 | Confident | 63 Ų | 63 | 48.4 Ų | 48.4 | 38% | 0.382 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.4 | -35.9 | 173.8 | 178.8 | 0 | 0 | 0 | 0 | 110.6 | M150 D192 L197 T198 | M150-V194 HydrophobicContact CE-CG2 3.61Å; D192-V194 PolarHBondContact O-N 2.84Å; D192-V194 WeakPolarHBondContact OD1-CB 3.3Å; D192-V194 PolarHBondContact OD1-N 2.74Å; V194-L197 PolarHBondContact O-N 3.26Å; V194-T198 HydrophobicContact CG1-CG2 4.26Å; V194-T198 WeakPolarHBondContact O-CG2 3.43Å; V194-T198 PolarHBondContact O-N 3Å; V194-T198 PolarHBondContact O-OG1 3.48Å; V194-T198 VanDerWaalsContact O-OG1 3.07Å |
| 195 | K | 93.4 | Very high | 89.2 | Confident | 76 Ų | 76 | 54.1 Ų | 54.1 | 33% | 0.33 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.3 | -42.6 | 175.6 | -72.7 | -68.5 | -169.2 | 162.7 | 0 | 112 | D180 A184 D192 E193 L197 T198 V199 | D180-K195 IonicContact OD2-NZ 3.78Å; D180-K195 PolarHBondContact OD2-NZ 2.97Å; A184-K195 HydrophobicContact CB-CB 3.7Å; A184-K195 HydrophobicContact CB-CG 4.1Å; D192-K195 HydrophobicContact CB-CG 4.47Å; D192-K195 PolarHBondContact O-N 3.4Å; D192-K195 PolarHBondContact OD1-N 3.08Å; E193-K195 VanDerWaalsContact C-N 3.31Å; K195-L197 VanDerWaalsContact C-N 3.33Å; K195-L197 PolarHBondContact O-N 2.98Å; K195-T198 PolarHBondContact O-N 3.18Å; K195-T198 PolarHBondContact O-OG1 3.44Å; K195-V199 PolarHBondContact O-N 3.43Å |
| 196 | F | 95.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.2 | -44.8 | 173 | -78.3 | -103.8 | 0 | 0 | 0 | 111.5 | I181 A184 T191 E193 L200 I227 M231 F239 | I181-F196 HydrophobicContact CG2-CD1 4.13Å; I181-F196 HydrophobicContact CG2-CE1 3.56Å; I181-F196 HydrophobicContact CG2-CE2 4.03Å; I181-F196 HydrophobicContact CG2-CZ 3.51Å; A184-F196 HydrophobicContact CB-CE2 4.24Å; T191-F196 HydrophobicContact CG2-CD2 4.14Å; T191-F196 HydrophobicContact CG2-CE2 3.77Å; T191-F196 HydrophobicContact CG2-CZ 4.5Å; E193-F196 PolarHBondContact O-N 2.99Å; F196-L200 HydrophobicContact CB-CD1 4.4Å; F196-L200 HydrophobicContact CD1-CD1 4.01Å; F196-L200 WeakPolarHBondContact O-CB 3.29Å; F196-L200 VanDerWaalsContact O-CG 3.3Å; F196-L200 WeakPolarHBondContact O-CG 3.43Å; F196-L200 PolarHBondContact O-N 3.28Å; F196-I227 HydrophobicContact CD1-CG1 4.24Å; F196-I227 HydrophobicContact CE1-CG1 3.82Å; F196-M231 HydrophobicContact CB-CE 4.03Å; F196-M231 HydrophobicContact CD1-CE 3.7Å; F196-M231 HydrophobicContact CD2-CE 3.64Å; F196-M231 HydrophobicContact CE1-CE 3.99Å; F196-M231 HydrophobicContact CE2-CE 3.94Å; F196-M231 HydrophobicContact CG-CE 3.51Å; F196-M231 HydrophobicContact CZ-CE 4.1Å; F196-F239 HydrophobicContact CB-CD1 4.42Å; F196-F239 HydrophobicContact CB-CE1 3.85Å; F196-F239 HydrophobicContact CB-CE2 4.02Å; F196-F239 HydrophobicContact CB-CZ 3.61Å |
| 197 | L | 95.7 | Very high | 90.5 | Very high | 24 Ų | 24 | 55.2 Ų | 55.2 | 13% | 0.126 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.1 | -52.5 | 177.2 | -174.2 | 162.8 | 0 | 0 | 0 | 112 | M150 R153 V154 E193 V194 K195 V199 C201 F239 | M150-L197 HydrophobicContact SD-CD1 4.05Å; R153-L197 HydrophobicContact CB-CD1 3.83Å; V154-L197 HydrophobicContact CG2-CB 4.44Å; V154-L197 HydrophobicContact CG2-CD1 3.9Å; V154-L197 HydrophobicContact CG2-CG 4.22Å; E193-L197 PolarHBondContact O-N 3.4Å; V194-L197 PolarHBondContact O-N 3.26Å; K195-L197 VanDerWaalsContact C-N 3.33Å; K195-L197 PolarHBondContact O-N 2.98Å; L197-V199 PolarHBondContact O-N 2.96Å; L197-C201 VanDerWaalsContact O-CB 3.25Å; L197-C201 WeakPolarHBondContact O-CB 3.46Å; L197-C201 PolarHBondContact O-N 2.88Å; L197-F239 HydrophobicContact CB-CE1 4.49Å; L197-F239 HydrophobicContact CB-CZ 4.22Å |
| 198 | T | 93.9 | Very high | 91.9 | Very high | 60 Ų | 60 | 52.5 Ų | 52.5 | 37% | 0.368 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.5 | -25.8 | -173.1 | 51.8 | 0 | 0 | 0 | 0 | 113.3 | V194 K195 V202 | V194-T198 HydrophobicContact CG1-CG2 4.26Å; V194-T198 WeakPolarHBondContact O-CG2 3.43Å; V194-T198 PolarHBondContact O-N 3Å; V194-T198 PolarHBondContact O-OG1 3.48Å; V194-T198 VanDerWaalsContact O-OG1 3.07Å; K195-T198 PolarHBondContact O-N 3.18Å; K195-T198 PolarHBondContact O-OG1 3.44Å; T198-V202 WeakPolarHBondContact O-CB 3.28Å; T198-V202 WeakPolarHBondContact O-CG2 3.47Å |
| 199 | V | 96.9 | Very high | 92.8 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -87.2 | -59 | 172.9 | -178.7 | 0 | 0 | 0 | 0 | 111 | D177 I181 K195 L197 C201 V202 R203 L208 V211 | D177-V199 HydrophobicContact CB-CG1 3.98Å; D177-V199 HydrophobicContact CB-CG2 4.08Å; I181-V199 HydrophobicContact CD1-CB 3.96Å; I181-V199 HydrophobicContact CD1-CG1 3.74Å; I181-V199 HydrophobicContact CD1-CG2 4.28Å; I181-V199 HydrophobicContact CG1-CB 4.42Å; I181-V199 HydrophobicContact CG1-CG2 4.29Å; K195-V199 PolarHBondContact O-N 3.43Å; L197-V199 PolarHBondContact O-N 2.96Å; V199-C201 PolarHBondContact O-N 3.05Å; V199-V202 PolarHBondContact O-N 3.25Å; V199-R203 HydrophobicContact CG1-CG 4.14Å; V199-R203 WeakPolarHBondContact O-CB 3.31Å; V199-R203 WeakPolarHBondContact O-CG 3.4Å; V199-R203 PolarHBondContact O-N 2.89Å; V199-R203 VanDerWaalsContact O-N 3.15Å; V199-L208 HydrophobicContact CG1-CD2 3.84Å; V199-V211 HydrophobicContact CG1-CG1 4.41Å |
| 200 | L | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69 | -29.3 | -168.6 | -62.6 | 179.4 | 0 | 0 | 0 | 113.4 | R163 F196 L208 F212 I223 I227 F239 I242 V243 | R163-L200 VanDerWaalsContact CZ-O 3.26Å; R163-L200 PolarHBondContact NH1-O 3.31Å; R163-L200 PolarHBondContact NH2-O 2.64Å; F196-L200 HydrophobicContact CB-CD1 4.4Å; F196-L200 HydrophobicContact CD1-CD1 4.01Å; F196-L200 WeakPolarHBondContact O-CB 3.29Å; F196-L200 VanDerWaalsContact O-CG 3.3Å; F196-L200 WeakPolarHBondContact O-CG 3.43Å; F196-L200 PolarHBondContact O-N 3.28Å; L200-L208 HydrophobicContact CD2-CD2 4.13Å; L200-F212 HydrophobicContact CD2-CE1 3.64Å; L200-F212 HydrophobicContact CD2-CZ 4.01Å; L200-I223 HydrophobicContact CD2-CD1 4.37Å; L200-I227 HydrophobicContact CD1-CD1 4.44Å; L200-F239 HydrophobicContact CB-CD1 4.3Å; L200-F239 HydrophobicContact CB-CE1 4.42Å; L200-F239 HydrophobicContact CD1-CB 4.36Å; L200-F239 HydrophobicContact CD1-CD1 3.53Å; L200-F239 HydrophobicContact CD1-CE1 4.12Å; L200-F239 HydrophobicContact CD1-CG 4.23Å; L200-I242 HydrophobicContact CB-CG2 4.17Å; L200-I242 WeakPolarHBondContact O-CG2 3.37Å; L200-V243 HydrophobicContact CD1-CG2 4.2Å; L200-V243 HydrophobicContact CD2-CG2 4.15Å |
| 201 | C | 97.1 | Very high | 95.5 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 3% | 0.027 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -22 | -179.5 | -62.7 | 0 | 0 | 0 | 0 | 113.8 | S157 L197 V199 | S157-C201 WeakPolarHBondContact OG-CB 3.5Å; L197-C201 VanDerWaalsContact O-CB 3.25Å; L197-C201 WeakPolarHBondContact O-CB 3.46Å; L197-C201 PolarHBondContact O-N 2.88Å; V199-C201 PolarHBondContact O-N 3.05Å |
| 202 | V | 95.6 | Very high | 96.3 | Very high | 54 Ų | 54 | 37 Ų | 37 | 33% | 0.327 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | -37.3 | -166.7 | -174.3 | 0 | 0 | 0 | 0 | 113.2 | R163 D164 T198 V199 | R163-V202 CarbonylContact C-O 3.58Å; R163-V202 WeakPolarHBondContact CA-O 3.47Å; D164-V202 PolarHBondContact N-O 3.48Å; T198-V202 WeakPolarHBondContact O-CB 3.28Å; T198-V202 WeakPolarHBondContact O-CG2 3.47Å; V199-V202 PolarHBondContact O-N 3.25Å |
| 203 | R | 98 | Very high | 96.7 | Very high | 62 Ų | 62 | 39.4 Ų | 39.4 | 23% | 0.234 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -69.2 | 148 | -176.5 | -62.4 | -62.5 | -172.9 | -101.8 | -11.1 | 112.1 | R163 D177 V199 H207 L208 | R163-R203 WeakPolarHBondContact CG-O 3.38Å; R163-R203 PolarHBondContact NH1-O 2.8Å; D177-R203 IonicContact OD1-CZ 2.84Å; D177-R203 IonicContact OD1-NE 2.78Å; D177-R203 IonicContact OD1-NH2 3.95Å; D177-R203 PolarHBondContact OD1-NH2 2.58Å; D177-R203 IonicContact OD2-CZ 2.95Å; D177-R203 IonicContact OD2-NE 3.89Å; D177-R203 PolarHBondContact OD2-NE 2.98Å; D177-R203 IonicContact OD2-NH2 2.72Å; D177-R203 PolarHBondContact OD2-NH2 3.16Å; V199-R203 HydrophobicContact CG1-CG 4.14Å; V199-R203 WeakPolarHBondContact O-CB 3.31Å; V199-R203 WeakPolarHBondContact O-CG 3.4Å; V199-R203 PolarHBondContact O-N 2.89Å; V199-R203 VanDerWaalsContact O-N 3.15Å; R203-H207 HydrophobicContact CB-CB 4.45Å; R203-L208 HydrophobicContact CB-CD1 4.35Å; R203-L208 HydrophobicContact CB-CD2 3.74Å; R203-L208 HydrophobicContact CB-CG 3.7Å; R203-L208 HydrophobicContact CG-CD2 4.3Å |
| 204 | N | 97.8 | Very high | 97.1 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.027 | 18% | 0.179 | C | C | . | . | trans | -67.5 | 166.7 | 175.4 | 72.6 | 68 | 0 | 0 | 0 | 111.7 | D164 S166 K168 N206 H207 L208 | D164-N204 HydrophobicContact CB-CB 3.98Å; D164-N204 WeakPolarHBondContact O-CA 3.4Å; D164-N204 WeakPolarHBondContact O-CB 3.26Å; D164-N204 PolarHBondContact OD2-ND2 2.87Å; S166-N204 WeakPolarHBondContact O-CB 3.44Å; S166-N204 PolarHBondContact O-ND2 3.42Å; K168-N204 PolarHBondContact O-ND2 3.1Å; N204-N206 PolarHBondContact O-N 3.18Å; N204-N206 PolarHBondContact OD1-N 3.32Å; N204-H207 PolarHBondContact O-N 3.13Å; N204-H207 WeakPolarHBondContact OD1-CB 3.1Å; N204-H207 PolarHBondContact OD1-N 3.31Å; N204-L208 WeakPolarHBondContact O-CG 3.44Å; N204-L208 PolarHBondContact O-N 2.88Å | ||
| 205 | R | 97.4 | Very high | 97.4 | Very high | 122 Ų | 122 | 34.1 Ų | 34.1 | 46% | 0.46 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -59.8 | -48.6 | -176.1 | -175.8 | -177.2 | -176 | -178.9 | -4 | 112.8 | H207 L208 L209 I246 K247 | R205-H207 VanDerWaalsContact C-N 3.29Å; R205-H207 PolarHBondContact O-N 2.81Å; R205-L208 PolarHBondContact O-N 3.3Å; R205-L209 HydrophobicContact CG-CD1 4.29Å; R205-L209 WeakPolarHBondContact O-CG 3.44Å; R205-L209 PolarHBondContact O-N 3.49Å; R205-I246 HydrophobicContact CB-CD1 4.28Å; R205-I246 HydrophobicContact CG-CD1 4.31Å; R205-I246 HydrophobicContact CG-CG2 4.14Å; R205-I246 PolarHBondContact NE-O 3.39Å; R205-I246 PolarHBondContact NH2-O 2.76Å; R205-K247 PolarHBondContact NH2-O 3.13Å |
| 206 | N | 98.3 | Very high | 97.6 | Very high | 58 Ų | 58 | 35 Ų | 35 | 31% | 0.31 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64.7 | -40.3 | -175.3 | -60.3 | -22 | 0 | 0 | 0 | 110.3 | D167 V169 N204 L209 R210 | D167-N206 WeakPolarHBondContact CA-ND2 3.47Å; D167-N206 WeakPolarHBondContact CB-ND2 3.48Å; D167-N206 PolarHBondContact O-ND2 3.39Å; D167-N206 PolarHBondContact OD1-ND2 2.97Å; V169-N206 HydrophobicContact CG2-CB 3.61Å; N204-N206 PolarHBondContact O-N 3.18Å; N204-N206 PolarHBondContact OD1-N 3.32Å; N206-L209 PolarHBondContact O-N 3.38Å; N206-R210 PolarHBondContact O-N 3.13Å |
| 207 | H | 98.7 | Very high | 97.7 | Very high | 5 Ų | 5 | 42 Ų | 42 | 2% | 0.023 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.3 | -47.3 | 174.7 | -166.9 | 94.7 | 0 | 0 | 0 | 111.7 | D170 D177 R203 N204 R205 L209 R210 V211 | D170-H207 PolarHBondContact O-CE1 3.49Å; D177-H207 IonicContact OD2-CD2 2.88Å; D177-H207 IonicContact OD2-NE2 3.8Å; D177-H207 PolarHBondContact OD2-NE2 3.32Å; R203-H207 HydrophobicContact CB-CB 4.45Å; N204-H207 PolarHBondContact O-N 3.13Å; N204-H207 WeakPolarHBondContact OD1-CB 3.1Å; N204-H207 PolarHBondContact OD1-N 3.31Å; R205-H207 VanDerWaalsContact C-N 3.29Å; R205-H207 PolarHBondContact O-N 2.81Å; H207-L209 VanDerWaalsContact C-N 3.34Å; H207-L209 PolarHBondContact O-N 2.85Å; H207-R210 WeakPolarHBondContact O-CA 3.5Å; H207-R210 VanDerWaalsContact O-CB 3.31Å; H207-R210 WeakPolarHBondContact O-CB 3.43Å; H207-R210 PolarHBondContact O-N 3.49Å; H207-R210 VanDerWaalsContact O-N 3.08Å; H207-V211 WeakPolarHBondContact O-CG2 3.29Å; H207-V211 PolarHBondContact O-N 3Å |
| 208 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.8 | -36.9 | 178.7 | -74.9 | 177.6 | 0 | 0 | 0 | 113.3 | V199 L200 R203 N204 R205 R210 V211 F212 I246 | V199-L208 HydrophobicContact CG1-CD2 3.84Å; L200-L208 HydrophobicContact CD2-CD2 4.13Å; R203-L208 HydrophobicContact CB-CD1 4.35Å; R203-L208 HydrophobicContact CB-CD2 3.74Å; R203-L208 HydrophobicContact CB-CG 3.7Å; R203-L208 HydrophobicContact CG-CD2 4.3Å; N204-L208 WeakPolarHBondContact O-CG 3.44Å; N204-L208 PolarHBondContact O-N 2.88Å; R205-L208 PolarHBondContact O-N 3.3Å; L208-R210 VanDerWaalsContact C-N 3.26Å; L208-R210 PolarHBondContact O-N 3.33Å; L208-V211 WeakPolarHBondContact O-CB 3.32Å; L208-V211 PolarHBondContact O-N 3.37Å; L208-F212 HydrophobicContact CB-CE1 4.45Å; L208-F212 HydrophobicContact CB-CE2 4.35Å; L208-F212 HydrophobicContact CB-CZ 4.04Å; L208-F212 HydrophobicContact CD2-CE1 4.43Å; L208-F212 VanDerWaalsContact O-CD1 3.31Å; L208-F212 WeakPolarHBondContact O-CD1 3.37Å; L208-F212 WeakPolarHBondContact O-CD2 3.27Å; L208-F212 WeakPolarHBondContact O-CG 3.31Å; L208-F212 PolarHBondContact O-N 2.96Å; L208-I246 HydrophobicContact CB-CG2 3.79Å; L208-I246 HydrophobicContact CD1-CD1 3.91Å; L208-I246 HydrophobicContact CD1-CG1 3.89Å; L208-I246 HydrophobicContact CD1-CG2 4.4Å |
| 209 | L | 98.6 | Very high | 97.8 | Very high | 55 Ų | 55 | 42 Ų | 42 | 29% | 0.288 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.3 | -38.1 | 173.3 | -68.7 | 174.6 | 0 | 0 | 0 | 111.4 | R205 N206 H207 F212 Q213 I246 K247 | R205-L209 HydrophobicContact CG-CD1 4.29Å; R205-L209 WeakPolarHBondContact O-CG 3.44Å; R205-L209 PolarHBondContact O-N 3.49Å; N206-L209 PolarHBondContact O-N 3.38Å; H207-L209 VanDerWaalsContact C-N 3.34Å; H207-L209 PolarHBondContact O-N 2.85Å; L209-F212 HydrophobicContact CD2-CD2 4.46Å; L209-F212 PolarHBondContact O-N 2.76Å; L209-Q213 WeakPolarHBondContact O-CG 3.46Å; L209-Q213 PolarHBondContact O-N 3.48Å; L209-I246 HydrophobicContact CD2-CG2 4.09Å; L209-I246 HydrophobicContact CG-CG2 4.24Å; L209-K247 HydrophobicContact CD2-CG 4.24Å |
| 210 | R | 98.6 | Very high | 97.7 | Very high | 54 Ų | 54 | 44.9 Ų | 44.9 | 20% | 0.204 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66 | -44.7 | 173.4 | -171.2 | 71.4 | -175.7 | 97.9 | 17.3 | 111.9 | V169 D171 A174 N206 H207 L208 F212 Q213 E214 | V169-R210 HydrophobicContact CG1-CB 3.95Å; V169-R210 HydrophobicContact CG1-CG 3.99Å; D171-R210 IonicContact OD1-CZ 3.34Å; D171-R210 IonicContact OD1-NE 3.04Å; D171-R210 PolarHBondContact OD1-NE 3.21Å; D171-R210 IonicContact OD1-NH2 2.82Å; A174-R210 HydrophobicContact CB-CB 4Å; A174-R210 HydrophobicContact CB-CG 3.58Å; N206-R210 PolarHBondContact O-N 3.13Å; H207-R210 WeakPolarHBondContact O-CA 3.5Å; H207-R210 VanDerWaalsContact O-CB 3.31Å; H207-R210 WeakPolarHBondContact O-CB 3.43Å; H207-R210 PolarHBondContact O-N 3.49Å; H207-R210 VanDerWaalsContact O-N 3.08Å; L208-R210 VanDerWaalsContact C-N 3.26Å; L208-R210 PolarHBondContact O-N 3.33Å; R210-F212 VanDerWaalsContact C-N 3.31Å; R210-F212 PolarHBondContact O-N 3.12Å; R210-Q213 WeakPolarHBondContact O-CB 3.31Å; R210-Q213 PolarHBondContact O-N 3.26Å; R210-E214 IonicContact CZ-OE1 3.96Å; R210-E214 IonicContact NH1-OE1 3.37Å; R210-E214 PolarHBondContact NH1-OE1 2.99Å; R210-E214 IonicContact NH2-OE1 3.18Å; R210-E214 PolarHBondContact NH2-OE1 2.88Å; R210-E214 PolarHBondContact O-N 2.95Å |
| 211 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.2 | -44.8 | 174.9 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | A174 D177 A178 I181 V199 H207 L208 Q213 E214 Y215 | A174-V211 HydrophobicContact CB-CG2 3.94Å; D177-V211 HydrophobicContact CB-CG1 4.31Å; D177-V211 HydrophobicContact CB-CG2 3.84Å; A178-V211 HydrophobicContact CB-CG1 4.16Å; I181-V211 HydrophobicContact CD1-CG1 4.12Å; V199-V211 HydrophobicContact CG1-CG1 4.41Å; H207-V211 WeakPolarHBondContact O-CG2 3.29Å; H207-V211 PolarHBondContact O-N 3Å; L208-V211 WeakPolarHBondContact O-CB 3.32Å; L208-V211 PolarHBondContact O-N 3.37Å; V211-Q213 VanDerWaalsContact C-N 3.33Å; V211-Q213 PolarHBondContact O-N 3.45Å; V211-E214 PolarHBondContact O-N 2.93Å; V211-Y215 VanDerWaalsContact O-CB 3.3Å; V211-Y215 WeakPolarHBondContact O-CB 3.26Å; V211-Y215 PolarHBondContact O-N 2.88Å |
| 212 | F | 98.6 | Very high | 97.5 | Very high | 13 Ų | 13 | 52.7 Ų | 52.7 | 6% | 0.057 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65 | -35.8 | -179.7 | -57.8 | -21.1 | 0 | 0 | 0 | 112.8 | L200 L208 L209 R210 Q216 I223 V243 I246 K247 | L200-F212 HydrophobicContact CD2-CE1 3.64Å; L200-F212 HydrophobicContact CD2-CZ 4.01Å; L208-F212 HydrophobicContact CB-CE1 4.45Å; L208-F212 HydrophobicContact CB-CE2 4.35Å; L208-F212 HydrophobicContact CB-CZ 4.04Å; L208-F212 HydrophobicContact CD2-CE1 4.43Å; L208-F212 VanDerWaalsContact O-CD1 3.31Å; L208-F212 WeakPolarHBondContact O-CD1 3.37Å; L208-F212 WeakPolarHBondContact O-CD2 3.27Å; L208-F212 WeakPolarHBondContact O-CG 3.31Å; L208-F212 PolarHBondContact O-N 2.96Å; L209-F212 HydrophobicContact CD2-CD2 4.46Å; L209-F212 PolarHBondContact O-N 2.76Å; R210-F212 VanDerWaalsContact C-N 3.31Å; R210-F212 PolarHBondContact O-N 3.12Å; F212-Q216 PolarHBondContact O-N 3Å; F212-Q216 VanDerWaalsContact O-N 3.12Å; F212-I223 HydrophobicContact CD1-CB 4.48Å; F212-I223 HydrophobicContact CD1-CD1 3.98Å; F212-I223 HydrophobicContact CD1-CG2 3.79Å; F212-I223 HydrophobicContact CE1-CD1 3.97Å; F212-I223 HydrophobicContact CE1-CG2 4.11Å; F212-I223 HydrophobicContact CG-CG2 4.14Å; F212-V243 HydrophobicContact CD2-CG1 4.42Å; F212-V243 HydrophobicContact CE1-CG2 4.24Å; F212-V243 HydrophobicContact CE2-CG1 3.87Å; F212-V243 HydrophobicContact CZ-CB 4.24Å; F212-V243 HydrophobicContact CZ-CG1 3.97Å; F212-V243 HydrophobicContact CZ-CG2 3.88Å; F212-I246 HydrophobicContact CE2-CB 4.21Å; F212-I246 HydrophobicContact CE2-CG2 3.67Å; F212-I246 HydrophobicContact CZ-CG2 4.23Å; F212-K247 HydrophobicContact CD2-CG 4.17Å; F212-K247 HydrophobicContact CE2-CG 4.28Å |
| 213 | Q | 98.5 | Very high | 97.6 | Very high | 102 Ų | 102 | 50.1 Ų | 50.1 | 48% | 0.477 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.6 | -44.3 | 174.3 | -68.7 | 169.4 | -0.5 | 0 | 0 | 111.8 | L209 R210 V211 Q216 K217 | L209-Q213 WeakPolarHBondContact O-CG 3.46Å; L209-Q213 PolarHBondContact O-N 3.48Å; R210-Q213 WeakPolarHBondContact O-CB 3.31Å; R210-Q213 PolarHBondContact O-N 3.26Å; V211-Q213 VanDerWaalsContact C-N 3.33Å; V211-Q213 PolarHBondContact O-N 3.45Å; Q213-Q216 PolarHBondContact O-N 3.21Å; Q213-K217 WeakPolarHBondContact O-CG 3.35Å; Q213-K217 PolarHBondContact O-N 3.23Å |
| 214 | E | 98.6 | Very high | 97.6 | Very high | 20 Ų | 20 | 48.6 Ų | 48.6 | 9% | 0.093 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.7 | -38.2 | 176.8 | -69.7 | -55.4 | 131.3 | 0 | 0 | 111.8 | V175 A178 R210 V211 Q216 K217 I218 | V175-E214 HydrophobicContact CG2-CG 3.81Å; A178-E214 HydrophobicContact CB-CB 3.7Å; R210-E214 IonicContact CZ-OE1 3.96Å; R210-E214 IonicContact NH1-OE1 3.37Å; R210-E214 PolarHBondContact NH1-OE1 2.99Å; R210-E214 IonicContact NH2-OE1 3.18Å; R210-E214 PolarHBondContact NH2-OE1 2.88Å; R210-E214 PolarHBondContact O-N 2.95Å; V211-E214 PolarHBondContact O-N 2.93Å; E214-Q216 VanDerWaalsContact C-N 3.31Å; E214-Q216 PolarHBondContact O-N 2.94Å; E214-K217 WeakPolarHBondContact O-CB 3.08Å; E214-K217 PolarHBondContact O-N 2.73Å; E214-K217 VanDerWaalsContact O-N 3.1Å; E214-K217 WeakPolarHBondContact OE1-CE 3.33Å; E214-K217 IonicContact OE1-NZ 3.69Å; E214-K217 PolarHBondContact OE1-NZ 2.71Å; E214-K217 IonicContact OE2-NZ 2.72Å; E214-I218 WeakPolarHBondContact O-CG1 3.42Å; E214-I218 PolarHBondContact O-N 3.1Å |
| 215 | Y | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.5 | -47.7 | 174.9 | -173.4 | -90.1 | 0 | 0 | 0 | 111 | A178 I181 V211 K217 I218 S219 I223 S226 | A178-Y215 WeakPolarHBondContact O-CD2 3.34Å; I181-Y215 HydrophobicContact CB-CD2 4.2Å; I181-Y215 HydrophobicContact CB-CE2 4.08Å; I181-Y215 HydrophobicContact CG2-CD2 3.96Å; I181-Y215 HydrophobicContact CG2-CE2 3.54Å; V211-Y215 VanDerWaalsContact O-CB 3.3Å; V211-Y215 WeakPolarHBondContact O-CB 3.26Å; V211-Y215 PolarHBondContact O-N 2.88Å; Y215-K217 VanDerWaalsContact C-N 3.28Å; Y215-K217 PolarHBondContact O-N 2.72Å; Y215-I218 PolarHBondContact O-N 3.4Å; Y215-I218 VanDerWaalsContact O-N 3.09Å; Y215-S219 WeakPolarHBondContact CD1-OG 3.33Å; Y215-S219 WeakPolarHBondContact CE1-OG 3.33Å; Y215-S219 PolarHBondContact O-N 3.08Å; Y215-S219 PolarHBondContact O-OG 2.89Å; Y215-I223 HydrophobicContact CD1-CB 3.83Å; Y215-I223 HydrophobicContact CD1-CG1 4.31Å; Y215-I223 HydrophobicContact CE1-CB 4.07Å; Y215-I223 HydrophobicContact CE1-CG1 4.28Å; Y215-I223 HydrophobicContact CG-CB 4.3Å; Y215-S226 WeakPolarHBondContact CE1-OG 3.12Å; Y215-S226 WeakPolarHBondContact OH-CB 3.49Å; Y215-S226 PolarHBondContact OH-OG 3.11Å |
| 216 | Q | 98 | Very high | 97.3 | Very high | 95 Ų | 95 | 44.9 Ų | 44.9 | 44% | 0.444 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.3 | -34.8 | 178.1 | -173.2 | 174.5 | 36.6 | 0 | 0 | 112.9 | F212 Q213 E214 G220 K221 D222 | F212-Q216 PolarHBondContact O-N 3Å; F212-Q216 VanDerWaalsContact O-N 3.12Å; Q213-Q216 PolarHBondContact O-N 3.21Å; E214-Q216 VanDerWaalsContact C-N 3.31Å; E214-Q216 PolarHBondContact O-N 2.94Å; Q216-G220 WeakPolarHBondContact O-CA 3.1Å; Q216-G220 PolarHBondContact O-N 3.4Å; Q216-K221 WeakPolarHBondContact CA-O 3.47Å; Q216-D222 PolarHBondContact NE2-OD1 3.04Å |
| 217 | K | 98.1 | Very high | 97.2 | Very high | 146 Ų | 146 | 42.1 Ų | 42.1 | 64% | 0.635 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -68.3 | -35.3 | 175 | -66.8 | 174.1 | -172.4 | 174.9 | 0 | 112.4 | Q213 E214 Y215 | Q213-K217 WeakPolarHBondContact O-CG 3.35Å; Q213-K217 PolarHBondContact O-N 3.23Å; E214-K217 WeakPolarHBondContact O-CB 3.08Å; E214-K217 PolarHBondContact O-N 2.73Å; E214-K217 VanDerWaalsContact O-N 3.1Å; E214-K217 WeakPolarHBondContact OE1-CE 3.33Å; E214-K217 IonicContact OE1-NZ 3.69Å; E214-K217 PolarHBondContact OE1-NZ 2.71Å; E214-K217 IonicContact OE2-NZ 2.72Å; Y215-K217 VanDerWaalsContact C-N 3.28Å; Y215-K217 PolarHBondContact O-N 2.72Å |
| 218 | I | 96.2 | Very high | 97 | Very high | 64 Ų | 64 | 47.3 Ų | 47.3 | 33% | 0.328 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -78.4 | -50.1 | -178.3 | -64.9 | 166 | 0 | 0 | 0 | 110.9 | A178 K179 Y182 E214 Y215 | A178-I218 HydrophobicContact CB-CD1 3.96Å; K179-I218 HydrophobicContact CB-CD1 4.14Å; Y182-I218 HydrophobicContact CD1-CG2 3.72Å; Y182-I218 HydrophobicContact CD2-CG2 4.33Å; Y182-I218 HydrophobicContact CE1-CG2 4.23Å; Y182-I218 HydrophobicContact CG-CG2 3.76Å; E214-I218 WeakPolarHBondContact O-CG1 3.42Å; E214-I218 PolarHBondContact O-N 3.1Å; Y215-I218 PolarHBondContact O-N 3.4Å; Y215-I218 VanDerWaalsContact O-N 3.09Å |
| 219 | S | 95.1 | Very high | 96.7 | Very high | 20 Ų | 20 | 50.6 Ų | 50.6 | 14% | 0.14 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -90.8 | -20.2 | -171.8 | 70.6 | 0 | 0 | 0 | 0 | 113.8 | Y215 K221 | Y215-S219 WeakPolarHBondContact CD1-OG 3.33Å; Y215-S219 WeakPolarHBondContact CE1-OG 3.33Å; Y215-S219 PolarHBondContact O-N 3.08Å; Y215-S219 PolarHBondContact O-OG 2.89Å; S219-K221 PolarHBondContact O-N 2.78Å; S219-K221 PolarHBondContact OG-N 3.11Å; S219-K221 PolarHBondContact OG-O 2.71Å; S219-K221 VanDerWaalsContact OG-O 3.07Å |
| 220 | G | 95.9 | Very high | 96.3 | Very high | 64 Ų | 64 | 50.6 Ų | 50.6 | 66% | 0.66 | 27% | 0.268 | S | S | * | . | S | Bend | trans | 72.4 | 7.4 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q216 | Q216-G220 WeakPolarHBondContact O-CA 3.1Å; Q216-G220 PolarHBondContact O-N 3.4Å |
| 221 | K | 94.8 | Very high | 96 | Very high | 90 Ų | 90 | 48.8 Ų | 48.8 | 39% | 0.391 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -130.5 | 153.7 | -176.6 | -67.7 | 167.3 | -179.1 | 166.2 | 0 | 111.9 | E186 Q216 S219 | E186-K221 WeakPolarHBondContact OE1-CD 3.44Å; E186-K221 IonicContact OE1-NZ 2.83Å; E186-K221 PolarHBondContact OE1-NZ 3.21Å; E186-K221 IonicContact OE2-NZ 3.86Å; E186-K221 PolarHBondContact OE2-NZ 2.7Å; Q216-K221 WeakPolarHBondContact CA-O 3.47Å; S219-K221 PolarHBondContact O-N 2.78Å; S219-K221 PolarHBondContact OG-N 3.11Å; S219-K221 PolarHBondContact OG-O 2.71Å; S219-K221 VanDerWaalsContact OG-O 3.07Å |
| 222 | D | 96 | Very high | 95.8 | Very high | 77 Ų | 77 | 53.4 Ų | 53.4 | 41% | 0.412 | 29% | 0.294 | S | S | . | . | trans | -66.2 | 140.6 | 164.9 | -71.6 | -26.8 | 0 | 0 | 0 | 110 | Q216 E224 A225 S226 | Q216-D222 PolarHBondContact NE2-OD1 3.04Å; D222-E224 PolarHBondContact O-N 2.63Å; D222-E224 VanDerWaalsContact O-N 3.14Å; D222-A225 VanDerWaalsContact O-CB 3.31Å; D222-A225 WeakPolarHBondContact O-CB 3.34Å; D222-A225 PolarHBondContact O-N 3.26Å; D222-S226 PolarHBondContact O-N 3.27Å | ||
| 223 | I | 96.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.6 | -31.1 | -179.6 | -168.5 | 166.5 | 0 | 0 | 0 | 112.9 | I181 L200 F212 Y215 A225 S226 I227 V243 | I181-I223 HydrophobicContact CD1-CD1 4.06Å; I181-I223 HydrophobicContact CG2-CD1 3.96Å; L200-I223 HydrophobicContact CD2-CD1 4.37Å; F212-I223 HydrophobicContact CD1-CB 4.48Å; F212-I223 HydrophobicContact CD1-CD1 3.98Å; F212-I223 HydrophobicContact CD1-CG2 3.79Å; F212-I223 HydrophobicContact CE1-CD1 3.97Å; F212-I223 HydrophobicContact CE1-CG2 4.11Å; F212-I223 HydrophobicContact CG-CG2 4.14Å; Y215-I223 HydrophobicContact CD1-CB 3.83Å; Y215-I223 HydrophobicContact CD1-CG1 4.31Å; Y215-I223 HydrophobicContact CE1-CB 4.07Å; Y215-I223 HydrophobicContact CE1-CG1 4.28Å; Y215-I223 HydrophobicContact CG-CB 4.3Å; I223-A225 VanDerWaalsContact C-N 3.27Å; I223-A225 PolarHBondContact O-N 3.12Å; I223-S226 PolarHBondContact O-N 3.46Å; I223-I227 HydrophobicContact CG1-CD1 4.15Å; I223-I227 HydrophobicContact CG1-CG1 4.47Å; I223-I227 WeakPolarHBondContact O-CG1 3.22Å; I223-I227 PolarHBondContact O-N 3.4Å; I223-V243 HydrophobicContact CG2-CG1 3.74Å; I223-V243 HydrophobicContact CG2-CG2 4.17Å |
| 224 | E | 97.4 | Very high | 95.6 | Very high | 29 Ų | 29 | 51.7 Ų | 51.7 | 14% | 0.136 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.1 | -32.4 | 174.1 | -63.9 | 96.4 | 134.8 | 0 | 0 | 113 | D222 K228 L240 V243 K247 | D222-E224 PolarHBondContact O-N 2.63Å; D222-E224 VanDerWaalsContact O-N 3.14Å; E224-K228 WeakPolarHBondContact O-CD 3.49Å; E224-K228 VanDerWaalsContact O-CG 3.24Å; E224-K228 WeakPolarHBondContact O-CG 3.08Å; E224-K228 PolarHBondContact O-N 3.21Å; E224-L240 HydrophobicContact CB-CD2 3.71Å; E224-L240 HydrophobicContact CG-CD2 3.94Å; E224-V243 VanDerWaalsContact CD-CG1 3.43Å; E224-V243 HydrophobicContact CG-CB 4.38Å; E224-V243 HydrophobicContact CG-CG1 3.7Å; E224-K247 WeakPolarHBondContact OE1-CD 3.31Å; E224-K247 VanDerWaalsContact OE1-CE 3.26Å; E224-K247 WeakPolarHBondContact OE1-CE 3.37Å; E224-K247 IonicContact OE1-NZ 3.13Å; E224-K247 PolarHBondContact OE1-NZ 2.86Å; E224-K247 IonicContact OE2-NZ 3.52Å; E224-K247 PolarHBondContact OE2-NZ 3.38Å |
| 225 | A | 95.6 | Very high | 95.5 | Very high | 49 Ų | 49 | 51.8 Ų | 51.8 | 41% | 0.405 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69.4 | -40.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | D222 I223 K228 S229 | D222-A225 VanDerWaalsContact O-CB 3.31Å; D222-A225 WeakPolarHBondContact O-CB 3.34Å; D222-A225 PolarHBondContact O-N 3.26Å; I223-A225 VanDerWaalsContact C-N 3.27Å; I223-A225 PolarHBondContact O-N 3.12Å; A225-K228 PolarHBondContact O-N 3.48Å; A225-S229 PolarHBondContact O-N 2.7Å; A225-S229 VanDerWaalsContact O-N 3.14Å |
| 226 | S | 93.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.2 | -41.7 | 176.8 | -49.5 | 0 | 0 | 0 | 0 | 111.8 | E186 Y215 D222 I223 K228 S229 E230 | E186-S226 VanDerWaalsContact OE1-CB 3.24Å; E186-S226 WeakPolarHBondContact OE1-CB 3.3Å; E186-S226 PolarHBondContact OE1-OG 3.07Å; Y215-S226 WeakPolarHBondContact CE1-OG 3.12Å; Y215-S226 WeakPolarHBondContact OH-CB 3.49Å; Y215-S226 PolarHBondContact OH-OG 3.11Å; D222-S226 PolarHBondContact O-N 3.27Å; I223-S226 PolarHBondContact O-N 3.46Å; S226-K228 VanDerWaalsContact C-N 3.26Å; S226-K228 PolarHBondContact O-N 2.7Å; S226-S229 PolarHBondContact O-N 3.28Å; S226-S229 VanDerWaalsContact O-N 3.13Å; S226-S229 PolarHBondContact O-OG 3.49Å; S226-S229 VanDerWaalsContact O-OG 3.05Å; S226-E230 VanDerWaalsContact O-CB 3.29Å; S226-E230 WeakPolarHBondContact O-CB 3.44Å; S226-E230 VanDerWaalsContact O-CG 3.28Å; S226-E230 WeakPolarHBondContact O-CG 3.36Å; S226-E230 PolarHBondContact O-N 2.94Å |
| 227 | I | 95.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.6 | -42 | 174.1 | -69.1 | 162.3 | 0 | 0 | 0 | 110.9 | F196 L200 I223 S229 M231 E236 F239 L240 V243 | F196-I227 HydrophobicContact CD1-CG1 4.24Å; F196-I227 HydrophobicContact CE1-CG1 3.82Å; L200-I227 HydrophobicContact CD1-CD1 4.44Å; I223-I227 HydrophobicContact CG1-CD1 4.15Å; I223-I227 HydrophobicContact CG1-CG1 4.47Å; I223-I227 WeakPolarHBondContact O-CG1 3.22Å; I223-I227 PolarHBondContact O-N 3.4Å; I227-S229 VanDerWaalsContact C-N 3.34Å; I227-S229 PolarHBondContact O-N 3.38Å; I227-M231 HydrophobicContact CG2-SD 4.24Å; I227-M231 WeakPolarHBondContact O-CB 3.48Å; I227-M231 PolarHBondContact O-N 3.47Å; I227-E236 HydrophobicContact CG2-CG 3.99Å; I227-F239 HydrophobicContact CD1-CB 4.08Å; I227-F239 HydrophobicContact CG2-CB 4.08Å; I227-L240 HydrophobicContact CB-CD2 4.03Å; I227-L240 HydrophobicContact CB-CG 4.48Å; I227-L240 HydrophobicContact CD1-CD2 4.42Å; I227-L240 HydrophobicContact CG2-CD2 3.92Å; I227-L240 HydrophobicContact CG2-CG 3.81Å; I227-V243 HydrophobicContact CD1-CG2 3.84Å |
| 228 | K | 95.4 | Very high | 95.5 | Very high | 114 Ų | 114 | 45.9 Ų | 45.9 | 50% | 0.496 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.4 | -26.8 | 178.1 | -72.5 | 171 | 178.1 | -179.4 | 0 | 114.5 | E224 A225 S226 E236 L240 | E224-K228 WeakPolarHBondContact O-CD 3.49Å; E224-K228 VanDerWaalsContact O-CG 3.24Å; E224-K228 WeakPolarHBondContact O-CG 3.08Å; E224-K228 PolarHBondContact O-N 3.21Å; A225-K228 PolarHBondContact O-N 3.48Å; S226-K228 VanDerWaalsContact C-N 3.26Å; S226-K228 PolarHBondContact O-N 2.7Å; K228-E236 WeakPolarHBondContact CG-OE1 3.29Å; K228-L240 HydrophobicContact CG-CD1 3.88Å; K228-L240 HydrophobicContact CG-CD2 4.3Å |
| 229 | S | 91.7 | Very high | 95.6 | Very high | 69 Ų | 69 | 42.8 Ų | 42.8 | 48% | 0.483 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -85.4 | -32.9 | 177.5 | 66.4 | 0 | 0 | 0 | 0 | 112.3 | A225 S226 I227 | A225-S229 PolarHBondContact O-N 2.7Å; A225-S229 VanDerWaalsContact O-N 3.14Å; S226-S229 PolarHBondContact O-N 3.28Å; S226-S229 VanDerWaalsContact O-N 3.13Å; S226-S229 PolarHBondContact O-OG 3.49Å; S226-S229 VanDerWaalsContact O-OG 3.05Å; I227-S229 VanDerWaalsContact C-N 3.34Å; I227-S229 PolarHBondContact O-N 3.38Å |
| 230 | E | 90.8 | Very high | 95.8 | Very high | 56 Ų | 56 | 42.2 Ų | 42.2 | 26% | 0.262 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -97.9 | -15 | -169.9 | -65 | -38.8 | 117.6 | 0 | 0 | 114.4 | T191 S226 | T191-E230 HydrophobicContact CG2-CB 4.29Å; T191-E230 WeakPolarHBondContact OG1-CB 3.48Å; T191-E230 PolarHBondContact OG1-O 3.47Å; S226-E230 VanDerWaalsContact O-CB 3.29Å; S226-E230 WeakPolarHBondContact O-CB 3.44Å; S226-E230 VanDerWaalsContact O-CG 3.28Å; S226-E230 WeakPolarHBondContact O-CG 3.36Å; S226-E230 PolarHBondContact O-N 2.94Å |
| 231 | M | 92.7 | Very high | 95.9 | Very high | 16 Ų | 16 | 39.3 Ų | 39.3 | 8% | 0.079 | 23% | 0.229 | C | C | . | . | trans | -133.2 | 165.7 | -175.8 | -55.7 | -178.6 | -178.2 | 0 | 0 | 110.8 | T191 E193 F196 I227 L235 E236 F239 | T191-M231 HydrophobicContact CG2-CE 3.58Å; T191-M231 HydrophobicContact CG2-CG 4.47Å; E193-M231 HydrophobicContact CB-CE 4.41Å; E193-M231 HydrophobicContact CG-CE 4.25Å; F196-M231 HydrophobicContact CB-CE 4.03Å; F196-M231 HydrophobicContact CD1-CE 3.7Å; F196-M231 HydrophobicContact CD2-CE 3.64Å; F196-M231 HydrophobicContact CE1-CE 3.99Å; F196-M231 HydrophobicContact CE2-CE 3.94Å; F196-M231 HydrophobicContact CG-CE 3.51Å; F196-M231 HydrophobicContact CZ-CE 4.1Å; I227-M231 HydrophobicContact CG2-SD 4.24Å; I227-M231 WeakPolarHBondContact O-CB 3.48Å; I227-M231 PolarHBondContact O-N 3.47Å; M231-L235 HydrophobicContact SD-CG 4.3Å; M231-E236 HydrophobicContact CB-CB 3.96Å; M231-E236 HydrophobicContact CB-CG 4.42Å; M231-F239 HydrophobicContact CE-CD2 3.98Å; M231-F239 HydrophobicContact CE-CE2 3.96Å; M231-F239 HydrophobicContact SD-CD2 3.42Å; M231-F239 WeakPolarHBondContact SD-CD2 3.43Å; M231-F239 HydrophobicContact SD-CE2 3.86Å; M231-F239 HydrophobicContact SD-CG 4.41Å | ||
| 232 | S | 93.7 | Very high | 96.1 | Very high | 97 Ų | 97 | 35.1 Ų | 35.1 | 68% | 0.678 | 21% | 0.211 | S | C | * | . | trans | -146.4 | 164.5 | 175.2 | 59.7 | 0 | 0 | 0 | 0 | 111.9 | E236 | S232-E236 WeakPolarHBondContact CA-OE2 3.5Š| ||
| 233 | G | 96.5 | Very high | 96.2 | Very high | 44 Ų | 44 | 31.5 Ų | 31.5 | 45% | 0.454 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | 62.4 | -150.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | L235 E236 D237 | G233-L235 PolarHBondContact O-N 3.15Å; G233-L235 VanDerWaalsContact O-N 3.08Å; G233-E236 WeakPolarHBondContact O-CB 3.23Å; G233-E236 PolarHBondContact O-N 2.84Å; G233-D237 PolarHBondContact O-N 2.67Å |
| 234 | S | 96.9 | Very high | 96.3 | Very high | 34 Ų | 34 | 32.9 Ų | 32.9 | 24% | 0.238 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.2 | -23.3 | -173.3 | -43.1 | 0 | 0 | 0 | 0 | 114 | F151 V238 | F151-S234 VanDerWaalsContact CD2-O 3.27Å; F151-S234 WeakPolarHBondContact CD2-O 3.46Å; F151-S234 WeakPolarHBondContact CE2-O 3.47Å; S234-V238 WeakPolarHBondContact O-CG1 3.27Å; S234-V238 PolarHBondContact O-N 3.44Å |
| 235 | L | 96.9 | Very high | 96.4 | Very high | 23 Ų | 23 | 31.7 Ų | 31.7 | 12% | 0.12 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71.8 | -44 | 175.2 | -173.7 | 61.6 | 0 | 0 | 0 | 111.8 | M150 V154 E193 M231 G233 D237 V238 F239 | M150-L235 HydrophobicContact CB-CD1 3.92Å; M150-L235 HydrophobicContact CB-CD2 3.81Å; M150-L235 HydrophobicContact CG-CD1 3.68Å; M150-L235 HydrophobicContact CG-CD2 3.99Å; V154-L235 HydrophobicContact CG2-CD1 4.05Å; E193-L235 HydrophobicContact CB-CD2 4.29Å; E193-L235 HydrophobicContact CG-CD2 3.93Å; M231-L235 HydrophobicContact SD-CG 4.3Å; G233-L235 PolarHBondContact O-N 3.15Å; G233-L235 VanDerWaalsContact O-N 3.08Å; L235-D237 VanDerWaalsContact C-N 3.33Å; L235-V238 HydrophobicContact CD1-CG1 4.32Å; L235-V238 WeakPolarHBondContact O-CG1 3.49Å; L235-F239 HydrophobicContact CD1-CD2 3.91Å; L235-F239 HydrophobicContact CD1-CE2 3.49Å; L235-F239 VanDerWaalsContact CD1-CE2 3.49Å; L235-F239 HydrophobicContact CD1-CZ 4.37Å; L235-F239 HydrophobicContact CG-CD2 4.1Å; L235-F239 HydrophobicContact CG-CE2 3.96Å; L235-F239 VanDerWaalsContact O-CD2 3.28Å; L235-F239 WeakPolarHBondContact O-CD2 3.19Å; L235-F239 PolarHBondContact O-N 3.34Å |
| 236 | E | 97.6 | Very high | 96.5 | Very high | 40 Ų | 40 | 30 Ų | 30 | 19% | 0.187 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.8 | -48.9 | 171.7 | -174.6 | -161.9 | 149 | 0 | 0 | 109.9 | I227 K228 M231 S232 G233 V238 F239 L240 | I227-E236 HydrophobicContact CG2-CG 3.99Å; K228-E236 WeakPolarHBondContact CG-OE1 3.29Å; M231-E236 HydrophobicContact CB-CB 3.96Å; M231-E236 HydrophobicContact CB-CG 4.42Å; S232-E236 WeakPolarHBondContact CA-OE2 3.5Å; G233-E236 WeakPolarHBondContact O-CB 3.23Å; G233-E236 PolarHBondContact O-N 2.84Å; E236-V238 PolarHBondContact O-N 3.07Å; E236-F239 PolarHBondContact O-N 3.23Å; E236-L240 HydrophobicContact CG-CD1 3.94Å; E236-L240 HydrophobicContact CG-CG 4.38Å; E236-L240 WeakPolarHBondContact O-CB 3.42Å; E236-L240 WeakPolarHBondContact O-CG 3.43Å; E236-L240 PolarHBondContact O-N 2.89Å |
| 237 | D | 98.3 | Very high | 96.7 | Very high | 76 Ų | 76 | 33.5 Ų | 33.5 | 41% | 0.406 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60.9 | -42.4 | -176.1 | -75.5 | -34.7 | 0 | 0 | 0 | 112.7 | I112 G233 L235 A241 | I112-D237 HydrophobicContact CD1-CB 3.71Å; G233-D237 PolarHBondContact O-N 2.67Å; L235-D237 VanDerWaalsContact C-N 3.33Å; D237-A241 VanDerWaalsContact O-CB 3.31Å; D237-A241 WeakPolarHBondContact O-CB 3.34Å; D237-A241 PolarHBondContact O-N 2.9Å |
| 238 | V | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.5 | -41.2 | -179.9 | 71.3 | 0 | 0 | 0 | 0 | 112.3 | I112 F151 V154 L155 L158 S234 L235 E236 A241 I242 | I112-V238 HydrophobicContact CD1-CB 4.28Å; I112-V238 HydrophobicContact CG1-CB 3.95Å; I112-V238 HydrophobicContact CG1-CG2 4.17Å; F151-V238 HydrophobicContact CD2-CB 4.25Å; F151-V238 HydrophobicContact CD2-CG1 3.94Å; F151-V238 HydrophobicContact CE2-CB 4.01Å; F151-V238 HydrophobicContact CE2-CG1 4.22Å; V154-V238 HydrophobicContact CB-CG1 4.16Å; V154-V238 HydrophobicContact CG1-CB 4.39Å; V154-V238 HydrophobicContact CG1-CG1 3.72Å; V154-V238 HydrophobicContact CG1-CG2 3.7Å; V154-V238 HydrophobicContact CG2-CG1 4.47Å; L155-V238 HydrophobicContact CD2-CG2 4.01Å; L158-V238 HydrophobicContact CD1-CG2 4.26Å; S234-V238 WeakPolarHBondContact O-CG1 3.27Å; S234-V238 PolarHBondContact O-N 3.44Å; L235-V238 HydrophobicContact CD1-CG1 4.32Å; L235-V238 WeakPolarHBondContact O-CG1 3.49Å; E236-V238 PolarHBondContact O-N 3.07Å; V238-A241 PolarHBondContact O-N 3Å; V238-I242 HydrophobicContact CG2-CD1 4.39Å; V238-I242 VanDerWaalsContact O-CG1 3.31Å; V238-I242 WeakPolarHBondContact O-CG1 3.23Å; V238-I242 PolarHBondContact O-N 2.97Å |
| 239 | F | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.7 | -39.9 | 177.7 | -77.6 | -55.6 | 0 | 0 | 0 | 111.7 | V154 F196 L197 L200 I227 M231 L235 E236 A241 I242 V243 | V154-F239 HydrophobicContact CG1-CE1 4.48Å; V154-F239 HydrophobicContact CG2-CE1 3.93Å; V154-F239 HydrophobicContact CG2-CE2 4.07Å; V154-F239 HydrophobicContact CG2-CZ 3.52Å; F196-F239 HydrophobicContact CB-CD1 4.42Å; F196-F239 HydrophobicContact CB-CE1 3.85Å; F196-F239 HydrophobicContact CB-CE2 4.02Å; F196-F239 HydrophobicContact CB-CZ 3.61Å; L197-F239 HydrophobicContact CB-CE1 4.49Å; L197-F239 HydrophobicContact CB-CZ 4.22Å; L200-F239 HydrophobicContact CB-CD1 4.3Å; L200-F239 HydrophobicContact CB-CE1 4.42Å; L200-F239 HydrophobicContact CD1-CB 4.36Å; L200-F239 HydrophobicContact CD1-CD1 3.53Å; L200-F239 HydrophobicContact CD1-CE1 4.12Å; L200-F239 HydrophobicContact CD1-CG 4.23Å; I227-F239 HydrophobicContact CD1-CB 4.08Å; I227-F239 HydrophobicContact CG2-CB 4.08Å; M231-F239 HydrophobicContact CE-CD2 3.98Å; M231-F239 HydrophobicContact CE-CE2 3.96Å; M231-F239 HydrophobicContact SD-CD2 3.42Å; M231-F239 WeakPolarHBondContact SD-CD2 3.43Å; M231-F239 HydrophobicContact SD-CE2 3.86Å; M231-F239 HydrophobicContact SD-CG 4.41Å; L235-F239 HydrophobicContact CD1-CD2 3.91Å; L235-F239 HydrophobicContact CD1-CE2 3.49Å; L235-F239 VanDerWaalsContact CD1-CE2 3.49Å; L235-F239 HydrophobicContact CD1-CZ 4.37Å; L235-F239 HydrophobicContact CG-CD2 4.1Å; L235-F239 HydrophobicContact CG-CE2 3.96Å; L235-F239 VanDerWaalsContact O-CD2 3.28Å; L235-F239 WeakPolarHBondContact O-CD2 3.19Å; L235-F239 PolarHBondContact O-N 3.34Å; E236-F239 PolarHBondContact O-N 3.23Å; F239-A241 VanDerWaalsContact C-N 3.31Å; F239-A241 PolarHBondContact O-N 3.32Å; F239-I242 HydrophobicContact CD1-CD1 4.22Å; F239-I242 PolarHBondContact O-N 3.28Å; F239-V243 WeakPolarHBondContact O-CG2 3.39Å; F239-V243 PolarHBondContact O-N 2.9Å |
| 240 | L | 98.6 | Very high | 97.2 | Very high | 8 Ų | 8 | 30.4 Ų | 30.4 | 4% | 0.042 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.6 | -41.3 | 171.8 | -72.9 | 179.3 | 0 | 0 | 0 | 111.8 | E224 I227 K228 E236 V243 K244 | E224-L240 HydrophobicContact CB-CD2 3.71Å; E224-L240 HydrophobicContact CG-CD2 3.94Å; I227-L240 HydrophobicContact CB-CD2 4.03Å; I227-L240 HydrophobicContact CB-CG 4.48Å; I227-L240 HydrophobicContact CD1-CD2 4.42Å; I227-L240 HydrophobicContact CG2-CD2 3.92Å; I227-L240 HydrophobicContact CG2-CG 3.81Å; K228-L240 HydrophobicContact CG-CD1 3.88Å; K228-L240 HydrophobicContact CG-CD2 4.3Å; E236-L240 HydrophobicContact CG-CD1 3.94Å; E236-L240 HydrophobicContact CG-CG 4.38Å; E236-L240 WeakPolarHBondContact O-CB 3.42Å; E236-L240 WeakPolarHBondContact O-CG 3.43Å; E236-L240 PolarHBondContact O-N 2.89Å; L240-V243 PolarHBondContact O-N 3.4Å; L240-K244 VanDerWaalsContact O-CB 3.31Å; L240-K244 WeakPolarHBondContact O-CB 3.48Å; L240-K244 WeakPolarHBondContact O-CG 3.37Å; L240-K244 PolarHBondContact O-N 3.36Å |
| 241 | A | 98.7 | Very high | 97.6 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 3% | 0.025 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.4 | -43.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | I112 A116 D237 V238 F239 K244 C245 F252 | I112-A241 HydrophobicContact CG2-CB 3.36Å; A116-A241 HydrophobicContact CB-CB 3.71Å; D237-A241 VanDerWaalsContact O-CB 3.31Å; D237-A241 WeakPolarHBondContact O-CB 3.34Å; D237-A241 PolarHBondContact O-N 2.9Å; V238-A241 PolarHBondContact O-N 3Å; F239-A241 VanDerWaalsContact C-N 3.31Å; F239-A241 PolarHBondContact O-N 3.32Å; A241-K244 PolarHBondContact O-N 3Å; A241-C245 VanDerWaalsContact O-CB 3.31Å; A241-C245 WeakPolarHBondContact O-CB 3.26Å; A241-C245 PolarHBondContact O-N 2.91Å; A241-C245 PolarHBondContact O-SG 3.39Å; A241-F252 HydrophobicContact CB-CE2 3.62Å; A241-F252 HydrophobicContact CB-CZ 4Å |
| 242 | I | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.3 | -53.6 | 175.4 | -67.3 | 163.3 | 0 | 0 | 0 | 110.2 | A116 V154 L158 L200 V238 F239 K244 C245 I246 | A116-I242 HydrophobicContact CB-CG1 4.03Å; V154-I242 HydrophobicContact CG1-CD1 3.99Å; L158-I242 HydrophobicContact CD1-CD1 4.21Å; L158-I242 HydrophobicContact CD1-CG1 4.42Å; L158-I242 HydrophobicContact CD2-CD1 4.21Å; L158-I242 HydrophobicContact CD2-CG1 4.4Å; L200-I242 HydrophobicContact CB-CG2 4.17Å; L200-I242 WeakPolarHBondContact O-CG2 3.37Å; V238-I242 HydrophobicContact CG2-CD1 4.39Å; V238-I242 VanDerWaalsContact O-CG1 3.31Å; V238-I242 WeakPolarHBondContact O-CG1 3.23Å; V238-I242 PolarHBondContact O-N 2.97Å; F239-I242 HydrophobicContact CD1-CD1 4.22Å; F239-I242 PolarHBondContact O-N 3.28Å; I242-K244 VanDerWaalsContact C-N 3.33Å; I242-K244 PolarHBondContact O-N 3.3Å; I242-C245 PolarHBondContact O-N 2.96Å; I242-I246 HydrophobicContact CG2-CG1 4.4Å; I242-I246 VanDerWaalsContact O-CG1 3.27Å; I242-I246 WeakPolarHBondContact O-CG1 3.32Å; I242-I246 PolarHBondContact O-N 3.1Å |
| 243 | V | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.9 | -47 | -179 | 172.5 | 0 | 0 | 0 | 0 | 111 | L200 F212 I223 E224 I227 F239 L240 C245 I246 K247 | L200-V243 HydrophobicContact CD1-CG2 4.2Å; L200-V243 HydrophobicContact CD2-CG2 4.15Å; F212-V243 HydrophobicContact CD2-CG1 4.42Å; F212-V243 HydrophobicContact CE1-CG2 4.24Å; F212-V243 HydrophobicContact CE2-CG1 3.87Å; F212-V243 HydrophobicContact CZ-CB 4.24Å; F212-V243 HydrophobicContact CZ-CG1 3.97Å; F212-V243 HydrophobicContact CZ-CG2 3.88Å; I223-V243 HydrophobicContact CG2-CG1 3.74Å; I223-V243 HydrophobicContact CG2-CG2 4.17Å; E224-V243 VanDerWaalsContact CD-CG1 3.43Å; E224-V243 HydrophobicContact CG-CB 4.38Å; E224-V243 HydrophobicContact CG-CG1 3.7Å; I227-V243 HydrophobicContact CD1-CG2 3.84Å; F239-V243 WeakPolarHBondContact O-CG2 3.39Å; F239-V243 PolarHBondContact O-N 2.9Å; L240-V243 PolarHBondContact O-N 3.4Å; V243-C245 PolarHBondContact O-N 3.45Å; V243-I246 PolarHBondContact O-N 2.95Å; V243-K247 HydrophobicContact CG1-CD 4.33Å; V243-K247 WeakPolarHBondContact O-CG 3.19Å; V243-K247 PolarHBondContact O-N 3.44Å |
| 244 | K | 98.6 | Very high | 98.2 | Very high | 30 Ų | 30 | 21.8 Ų | 21.8 | 13% | 0.13 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.6 | -40.7 | 179.8 | -71.9 | 172.8 | -176 | 177.7 | 0 | 112.3 | L240 A241 I242 I246 K247 S248 F252 E255 | L240-K244 VanDerWaalsContact O-CB 3.31Å; L240-K244 WeakPolarHBondContact O-CB 3.48Å; L240-K244 WeakPolarHBondContact O-CG 3.37Å; L240-K244 PolarHBondContact O-N 3.36Å; A241-K244 PolarHBondContact O-N 3Å; I242-K244 VanDerWaalsContact C-N 3.33Å; I242-K244 PolarHBondContact O-N 3.3Å; K244-I246 VanDerWaalsContact C-N 3.35Å; K244-K247 PolarHBondContact O-N 3.2Å; K244-S248 CarbonylContact O-C 3.52Å; K244-S248 VanDerWaalsContact O-C 3.27Å; K244-S248 PolarHBondContact O-N 3.33Å; K244-S248 VanDerWaalsContact O-O 3.1Å; K244-F252 HydrophobicContact CB-CB 4.06Å; K244-F252 HydrophobicContact CB-CD2 3.92Å; K244-F252 HydrophobicContact CB-CG 4.42Å; K244-F252 HydrophobicContact CD-CD2 4.3Å; K244-E255 WeakPolarHBondContact CD-OE2 3.49Å; K244-E255 VanDerWaalsContact CE-OE2 3.23Å; K244-E255 WeakPolarHBondContact CE-OE2 3.41Å; K244-E255 IonicContact NZ-OE1 3.44Å; K244-E255 PolarHBondContact NZ-OE1 3.19Å; K244-E255 IonicContact NZ-OE2 2.67Å; K244-E255 PolarHBondContact NZ-OE2 3.47Å |
| 245 | C | 98.3 | Very high | 98.3 | Very high | 4 Ų | 4 | 21.6 Ų | 21.6 | 3% | 0.027 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.8 | -38.3 | 175.8 | -75.7 | 0 | 0 | 0 | 0 | 112.4 | A116 A241 I242 V243 K249 F252 | A116-C245 WeakPolarHBondContact O-CB 3.12Å; A241-C245 VanDerWaalsContact O-CB 3.31Å; A241-C245 WeakPolarHBondContact O-CB 3.26Å; A241-C245 PolarHBondContact O-N 2.91Å; A241-C245 PolarHBondContact O-SG 3.39Å; I242-C245 PolarHBondContact O-N 2.96Å; V243-C245 PolarHBondContact O-N 3.45Å; C245-K249 HydrophobicContact CB-CG 4.17Å; C245-K249 WeakPolarHBondContact O-CG 3.47Å; C245-K249 PolarHBondContact O-N 2.83Å; C245-F252 WeakPolarHBondContact SG-CD1 3.39Å; C245-F252 VanDerWaalsContact SG-CG 3.59Å |
| 246 | I | 98.1 | Very high | 98.4 | Very high | 15 Ų | 15 | 22.7 Ų | 22.7 | 8% | 0.077 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.7 | -43.4 | 175.3 | -69.3 | -65.9 | 0 | 0 | 0 | 111.1 | R205 L208 L209 F212 I242 V243 K244 | R205-I246 HydrophobicContact CB-CD1 4.28Å; R205-I246 HydrophobicContact CG-CD1 4.31Å; R205-I246 HydrophobicContact CG-CG2 4.14Å; R205-I246 PolarHBondContact NE-O 3.39Å; R205-I246 PolarHBondContact NH2-O 2.76Å; L208-I246 HydrophobicContact CB-CG2 3.79Å; L208-I246 HydrophobicContact CD1-CD1 3.91Å; L208-I246 HydrophobicContact CD1-CG1 3.89Å; L208-I246 HydrophobicContact CD1-CG2 4.4Å; L209-I246 HydrophobicContact CD2-CG2 4.09Å; L209-I246 HydrophobicContact CG-CG2 4.24Å; F212-I246 HydrophobicContact CE2-CB 4.21Å; F212-I246 HydrophobicContact CE2-CG2 3.67Å; F212-I246 HydrophobicContact CZ-CG2 4.23Å; I242-I246 HydrophobicContact CG2-CG1 4.4Å; I242-I246 VanDerWaalsContact O-CG1 3.27Å; I242-I246 WeakPolarHBondContact O-CG1 3.32Å; I242-I246 PolarHBondContact O-N 3.1Å; V243-I246 PolarHBondContact O-N 2.95Å; K244-I246 VanDerWaalsContact C-N 3.35Å |
| 247 | K | 98.1 | Very high | 98.4 | Very high | 72 Ų | 72 | 20.8 Ų | 20.8 | 31% | 0.313 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -66.7 | -56.2 | 175.8 | -71.4 | -174.2 | 179.7 | -178.7 | 0 | 111.3 | R205 L209 F212 E224 V243 K244 | R205-K247 PolarHBondContact NH2-O 3.13Å; L209-K247 HydrophobicContact CD2-CG 4.24Å; F212-K247 HydrophobicContact CD2-CG 4.17Å; F212-K247 HydrophobicContact CE2-CG 4.28Å; E224-K247 WeakPolarHBondContact OE1-CD 3.31Å; E224-K247 VanDerWaalsContact OE1-CE 3.26Å; E224-K247 WeakPolarHBondContact OE1-CE 3.37Å; E224-K247 IonicContact OE1-NZ 3.13Å; E224-K247 PolarHBondContact OE1-NZ 2.86Å; E224-K247 IonicContact OE2-NZ 3.52Å; E224-K247 PolarHBondContact OE2-NZ 3.38Å; V243-K247 HydrophobicContact CG1-CD 4.33Å; V243-K247 WeakPolarHBondContact O-CG 3.19Å; V243-K247 PolarHBondContact O-N 3.44Å; K244-K247 PolarHBondContact O-N 3.2Å |
| 248 | S | 97.9 | Very high | 98.4 | Very high | 31 Ų | 31 | 19.4 Ų | 19.4 | 22% | 0.217 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -163 | 106.5 | -179.8 | 176.9 | 0 | 0 | 0 | 0 | 111.8 | K244 A251 F252 | K244-S248 CarbonylContact O-C 3.52Å; K244-S248 VanDerWaalsContact O-C 3.27Å; K244-S248 PolarHBondContact O-N 3.33Å; K244-S248 VanDerWaalsContact O-O 3.1Å; S248-A251 PolarHBondContact O-N 2.89Å; S248-A251 WeakPolarHBondContact OG-CB 3.31Å; S248-A251 PolarHBondContact OG-N 3.2Å; S248-F252 PolarHBondContact O-N 2.99Å |
| 249 | K | 97.3 | Very high | 98.4 | Very high | 64 Ų | 64 | 24.4 Ų | 24.4 | 28% | 0.278 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -56.3 | -43 | 172.4 | -61 | -173.4 | -173 | -175.1 | 0 | 112.9 | S117 C245 A251 F252 F253 | S117-K249 WeakPolarHBondContact O-CE 3.41Å; S117-K249 PolarHBondContact O-NZ 3.15Å; C245-K249 HydrophobicContact CB-CG 4.17Å; C245-K249 WeakPolarHBondContact O-CG 3.47Å; C245-K249 PolarHBondContact O-N 2.83Å; K249-A251 VanDerWaalsContact C-N 3.33Å; K249-A251 PolarHBondContact O-N 3.47Å; K249-F252 WeakPolarHBondContact O-CB 3.39Å; K249-F252 PolarHBondContact O-N 2.79Å; K249-F253 VanDerWaalsContact O-CD2 3.29Å; K249-F253 WeakPolarHBondContact O-CD2 3.18Å; K249-F253 PolarHBondContact O-N 3.39Å |
| 250 | P | 98.4 | Very high | 98.3 | Very high | 24 Ų | 24 | 24.7 Ų | 24.7 | 16% | 0.156 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.8 | -38.2 | 176.7 | -26.7 | 36.6 | 0 | 0 | 0 | 113.5 | F253 A254 D285 I286 Q289 | P250-F253 PolarHBondContact O-N 3.01Å; P250-A254 WeakPolarHBondContact O-CB 3.45Å; P250-A254 PolarHBondContact O-N 3.35Å; P250-D285 HydrophobicContact CB-CB 3.93Å; P250-D285 HydrophobicContact CG-CB 3.94Å; P250-I286 HydrophobicContact CB-CG1 4.08Å; P250-Q289 HydrophobicContact CB-CG 4.03Å |
| 251 | A | 98.6 | Very high | 98.3 | Very high | 20 Ų | 20 | 24.4 Ų | 24.4 | 17% | 0.165 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -70.1 | -36.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S248 K249 A254 E255 Q289 M293 | S248-A251 PolarHBondContact O-N 2.89Å; S248-A251 WeakPolarHBondContact OG-CB 3.31Å; S248-A251 PolarHBondContact OG-N 3.2Å; K249-A251 VanDerWaalsContact C-N 3.33Å; K249-A251 PolarHBondContact O-N 3.47Å; A251-A254 PolarHBondContact O-N 3.37Å; A251-E255 PolarHBondContact O-N 3.21Å; A251-Q289 HydrophobicContact CB-CB 4.31Å; A251-Q289 HydrophobicContact CB-CG 4.12Å; A251-M293 HydrophobicContact CB-SD 4.13Å |
| 252 | F | 98.7 | Very high | 98.1 | Very high | 7 Ų | 7 | 30.6 Ų | 30.6 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.2 | -53.5 | 171.5 | 169.5 | -104.2 | 0 | 0 | 0 | 111.2 | D113 A241 K244 C245 S248 K249 A254 E255 R256 | D113-F252 WeakPolarHBondContact OD1-CZ 3.31Å; A241-F252 HydrophobicContact CB-CE2 3.62Å; A241-F252 HydrophobicContact CB-CZ 4Å; K244-F252 HydrophobicContact CB-CB 4.06Å; K244-F252 HydrophobicContact CB-CD2 3.92Å; K244-F252 HydrophobicContact CB-CG 4.42Å; K244-F252 HydrophobicContact CD-CD2 4.3Å; C245-F252 WeakPolarHBondContact SG-CD1 3.39Å; C245-F252 VanDerWaalsContact SG-CG 3.59Å; S248-F252 PolarHBondContact O-N 2.99Å; K249-F252 WeakPolarHBondContact O-CB 3.39Å; K249-F252 PolarHBondContact O-N 2.79Å; F252-A254 VanDerWaalsContact C-N 3.33Å; F252-A254 PolarHBondContact O-N 3.07Å; F252-E255 PolarHBondContact O-N 3.01Å; F252-E255 VanDerWaalsContact O-N 3.16Å; F252-R256 HydrophobicContact CD1-CG 4.4Å; F252-R256 HydrophobicContact CD2-CG 4.23Å; F252-R256 HydrophobicContact CE1-CG 4.01Å; F252-R256 HydrophobicContact CE2-CG 3.81Å; F252-R256 HydrophobicContact CZ-CG 3.7Å; F252-R256 WeakPolarHBondContact O-CG 3.48Å; F252-R256 PolarHBondContact O-N 2.94Å |
| 253 | F | 98.7 | Very high | 97.8 | Very high | 5 Ų | 5 | 33.2 Ų | 33.2 | 2% | 0.022 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.2 | -34.1 | 179.7 | -71.9 | -57.7 | 0 | 0 | 0 | 113 | K249 P250 E255 R256 L257 I274 R278 I286 | K249-F253 VanDerWaalsContact O-CD2 3.29Å; K249-F253 WeakPolarHBondContact O-CD2 3.18Å; K249-F253 PolarHBondContact O-N 3.39Å; P250-F253 PolarHBondContact O-N 3.01Å; F253-E255 VanDerWaalsContact C-N 3.33Å; F253-E255 PolarHBondContact O-N 3.34Å; F253-R256 PolarHBondContact O-N 3.12Å; F253-L257 WeakPolarHBondContact O-CB 3.24Å; F253-L257 WeakPolarHBondContact O-CG 3.43Å; F253-L257 PolarHBondContact O-N 3.33Å; F253-I274 HydrophobicContact CB-CG2 4.14Å; F253-I274 HydrophobicContact CD1-CD1 4.05Å; F253-I274 HydrophobicContact CD1-CG1 3.93Å; F253-I274 HydrophobicContact CD1-CG2 4.06Å; F253-I274 HydrophobicContact CE1-CG1 4.39Å; F253-I274 HydrophobicContact CG-CG2 4.31Å; F253-R278 HydrophobicContact CD2-CG 4.26Å; F253-R278 HydrophobicContact CE2-CG 4.39Å; F253-R278 HydrophobicContact CG-CG 4.38Å; F253-I286 HydrophobicContact CB-CD1 3.71Å; F253-I286 HydrophobicContact CB-CG1 4.01Å; F253-I286 HydrophobicContact CB-CG2 4.41Å; F253-I286 HydrophobicContact CD2-CD1 4.18Å; F253-I286 HydrophobicContact CG-CD1 4.24Å |
| 254 | A | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60 | -43.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | P250 A251 F252 Y258 I286 Q289 F290 M293 | P250-A254 WeakPolarHBondContact O-CB 3.45Å; P250-A254 PolarHBondContact O-N 3.35Å; A251-A254 PolarHBondContact O-N 3.37Å; F252-A254 VanDerWaalsContact C-N 3.33Å; F252-A254 PolarHBondContact O-N 3.07Å; A254-Y258 WeakPolarHBondContact O-CB 3.5Å; A254-Y258 PolarHBondContact O-N 3.36Å; A254-I286 HydrophobicContact CB-CG2 4.27Å; A254-Q289 HydrophobicContact CB-CB 3.94Å; A254-F290 HydrophobicContact CB-CB 3.92Å; A254-F290 HydrophobicContact CB-CD2 4.27Å; A254-F290 WeakPolarHBondContact O-CD2 3.41Å; A254-M293 HydrophobicContact CB-SD 4.25Å |
| 255 | E | 98.6 | Very high | 96.8 | Very high | 29 Ų | 29 | 43.4 Ų | 43.4 | 14% | 0.136 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.6 | -42 | 175 | -173.1 | -172.1 | 149.5 | 0 | 0 | 112.5 | K244 A251 F252 F253 Y258 K259 M293 Y294 | K244-E255 WeakPolarHBondContact CD-OE2 3.49Å; K244-E255 VanDerWaalsContact CE-OE2 3.23Å; K244-E255 WeakPolarHBondContact CE-OE2 3.41Å; K244-E255 IonicContact NZ-OE1 3.44Å; K244-E255 PolarHBondContact NZ-OE1 3.19Å; K244-E255 IonicContact NZ-OE2 2.67Å; K244-E255 PolarHBondContact NZ-OE2 3.47Å; A251-E255 PolarHBondContact O-N 3.21Å; F252-E255 PolarHBondContact O-N 3.01Å; F252-E255 VanDerWaalsContact O-N 3.16Å; F253-E255 VanDerWaalsContact C-N 3.33Å; F253-E255 PolarHBondContact O-N 3.34Å; E255-Y258 PolarHBondContact O-N 2.65Å; E255-K259 HydrophobicContact CG-CD 4.15Å; E255-K259 HydrophobicContact CG-CG 4.49Å; E255-K259 WeakPolarHBondContact O-CB 3.25Å; E255-K259 WeakPolarHBondContact O-CG 3.43Å; E255-K259 PolarHBondContact O-N 3.32Å; E255-K259 WeakPolarHBondContact OE1-CE 3.39Å; E255-K259 IonicContact OE1-NZ 3.38Å; E255-K259 PolarHBondContact OE1-NZ 2.72Å; E255-M293 HydrophobicContact CB-CE 4.1Å; E255-Y294 VanDerWaalsContact CA-OH 3.28Å; E255-Y294 WeakPolarHBondContact CA-OH 3.21Å; E255-Y294 WeakPolarHBondContact CG-OH 3.42Å |
| 256 | R | 98.4 | Very high | 96.6 | Very high | 46 Ų | 46 | 45 Ų | 45 | 17% | 0.174 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.3 | -43.9 | 178.5 | -65.5 | -64.5 | -67.6 | 165.4 | -1 | 111.8 | D113 F252 F253 K259 S260 V270 I274 | D113-R256 VanDerWaalsContact CG-NH2 3.33Å; D113-R256 IonicContact OD1-CZ 3.6Å; D113-R256 IonicContact OD1-NE 3.62Å; D113-R256 PolarHBondContact OD1-NE 3.26Å; D113-R256 IonicContact OD1-NH2 2.76Å; D113-R256 PolarHBondContact OD1-NH2 3.49Å; D113-R256 VanDerWaalsContact OD1-NH2 3.15Å; D113-R256 IonicContact OD2-CZ 3.39Å; D113-R256 IonicContact OD2-NE 2.74Å; D113-R256 PolarHBondContact OD2-NE 3.07Å; D113-R256 IonicContact OD2-NH2 2.77Å; D113-R256 PolarHBondContact OD2-NH2 2.9Å; F252-R256 HydrophobicContact CD1-CG 4.4Å; F252-R256 HydrophobicContact CD2-CG 4.23Å; F252-R256 HydrophobicContact CE1-CG 4.01Å; F252-R256 HydrophobicContact CE2-CG 3.81Å; F252-R256 HydrophobicContact CZ-CG 3.7Å; F252-R256 WeakPolarHBondContact O-CG 3.48Å; F252-R256 PolarHBondContact O-N 2.94Å; F253-R256 PolarHBondContact O-N 3.12Å; R256-K259 PolarHBondContact O-N 3.45Å; R256-S260 WeakPolarHBondContact O-CB 3.25Å; R256-S260 PolarHBondContact O-N 3.3Å; R256-S260 PolarHBondContact O-OG 3.18Å; R256-V270 HydrophobicContact CB-CG1 4.44Å; R256-I274 HydrophobicContact CB-CD1 3.49Å; R256-I274 VanDerWaalsContact CB-CD1 3.49Å |
| 257 | L | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 173.6 | -74.1 | 167.1 | 0 | 0 | 0 | 112.1 | F253 S260 M261 L271 I274 M275 I286 F290 L298 | F253-L257 WeakPolarHBondContact O-CB 3.24Å; F253-L257 WeakPolarHBondContact O-CG 3.43Å; F253-L257 PolarHBondContact O-N 3.33Å; L257-S260 PolarHBondContact O-N 3.03Å; L257-S260 PolarHBondContact O-OG 3.1Å; L257-M261 HydrophobicContact CB-CE 4.1Å; L257-M261 WeakPolarHBondContact O-CE 3.46Å; L257-M261 PolarHBondContact O-N 3.29Å; L257-L271 HydrophobicContact CD2-CD1 3.52Å; L257-I274 HydrophobicContact CD1-CG2 3.85Å; L257-I274 HydrophobicContact CD2-CB 3.93Å; L257-I274 HydrophobicContact CD2-CD1 4.26Å; L257-I274 HydrophobicContact CD2-CG2 3.85Å; L257-I274 HydrophobicContact CG-CB 4.29Å; L257-I274 HydrophobicContact CG-CD1 4.11Å; L257-I274 HydrophobicContact CG-CG2 3.79Å; L257-M275 HydrophobicContact CD2-CG 4.26Å; L257-M275 HydrophobicContact CD2-SD 4.17Å; L257-I286 HydrophobicContact CD1-CG2 3.62Å; L257-F290 HydrophobicContact CB-CD2 4.26Å; L257-F290 HydrophobicContact CB-CE2 4.03Å; L257-L298 HydrophobicContact CB-CD1 4.14Å; L257-L298 HydrophobicContact CD1-CD1 3.92Å; L257-L298 HydrophobicContact CD1-CD2 3.78Å; L257-L298 HydrophobicContact CG-CD1 4.47Å |
| 258 | Y | 98.5 | Very high | 96.5 | Very high | 48 Ų | 48 | 46.1 Ų | 46.1 | 19% | 0.188 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.8 | -47.3 | 178.2 | 174.2 | -101.3 | 0 | 0 | 0 | 110.7 | A254 E255 S260 M261 K262 F290 Y294 F301 | A254-Y258 WeakPolarHBondContact O-CB 3.5Å; A254-Y258 PolarHBondContact O-N 3.36Å; E255-Y258 PolarHBondContact O-N 2.65Å; Y258-S260 VanDerWaalsContact C-N 3.3Å; Y258-S260 PolarHBondContact O-N 3.25Å; Y258-M261 PolarHBondContact O-N 3.4Å; Y258-K262 HydrophobicContact CD1-CD 4.45Å; Y258-K262 HydrophobicContact CE1-CB 4.25Å; Y258-K262 HydrophobicContact CE1-CD 3.55Å; Y258-K262 HydrophobicContact CE1-CG 4.16Å; Y258-K262 VanDerWaalsContact O-CB 3.23Å; Y258-K262 WeakPolarHBondContact O-CB 3.14Å; Y258-K262 PolarHBondContact O-N 3.05Å; Y258-K262 WeakPolarHBondContact OH-CD 3.43Å; Y258-K262 VanDerWaalsContact OH-CE 3.27Å; Y258-K262 WeakPolarHBondContact OH-CE 3.37Å; Y258-F290 HydrophobicContact CD2-CZ 4.07Å; Y258-Y294 VanDerWaalsContact CB-CZ 3.48Å; Y258-Y294 AromaticContact CD1-CD1 3.93Å; Y258-Y294 HydrophobicContact CD1-CD1 3.93Å; Y258-Y294 AromaticContact CD1-CE1 3.37Å; Y258-Y294 HydrophobicContact CD1-CE1 3.37Å; Y258-Y294 HydrophobicContact CD1-CE2 4.17Å; Y258-Y294 AromaticContact CD1-CZ 3.5Å; Y258-Y294 AromaticContact CD2-CD1 3.68Å; Y258-Y294 HydrophobicContact CD2-CD1 3.68Å; Y258-Y294 AromaticContact CD2-CD2 3.81Å; Y258-Y294 HydrophobicContact CD2-CD2 3.81Å; Y258-Y294 AromaticContact CD2-CE1 3.95Å; Y258-Y294 HydrophobicContact CD2-CE1 3.95Å; Y258-Y294 HydrophobicContact CD2-CE2 4.08Å; Y258-Y294 AromaticContact CD2-CG 3.6Å; Y258-Y294 HydrophobicContact CD2-CG 3.6Å; Y258-Y294 AromaticContact CE1-CD1 3.94Å; Y258-Y294 HydrophobicContact CE1-CD1 3.94Å; Y258-Y294 AromaticContact CE1-CE1 3.61Å; Y258-Y294 HydrophobicContact CE1-CE1 3.61Å; Y258-Y294 AromaticContact CE2-CD1 3.72Å; Y258-Y294 HydrophobicContact CE2-CD1 3.72Å; Y258-Y294 HydrophobicContact CE2-CE1 4.19Å; Y258-Y294 AromaticContact CE2-CG 3.95Å; Y258-Y294 HydrophobicContact CE2-CG 3.95Å; Y258-Y294 AromaticContact CG-CD1 3.79Å; Y258-Y294 HydrophobicContact CG-CD1 3.79Å; Y258-Y294 AromaticContact CG-CD2 3.84Å; Y258-Y294 HydrophobicContact CG-CD2 3.84Å; Y258-Y294 AromaticContact CG-CE1 3.54Å; Y258-Y294 HydrophobicContact CG-CE1 3.54Å; Y258-Y294 AromaticContact CG-CE2 3.6Å; Y258-Y294 HydrophobicContact CG-CE2 3.6Å; Y258-Y294 AromaticContact CG-CG 3.93Å; Y258-Y294 HydrophobicContact CG-CG 3.93Å; Y258-Y294 AromaticContact CG-CZ 3.43Å; Y258-Y294 VanDerWaalsContact CG-CZ 3.43Å; Y258-Y294 AromaticContact CZ-CD1 3.85Å; Y258-F301 HydrophobicContact CD2-CE1 4.05Å; Y258-F301 HydrophobicContact CD2-CE2 4.29Å; Y258-F301 AromaticContact CD2-CZ 3.78Å; Y258-F301 HydrophobicContact CD2-CZ 3.78Å; Y258-F301 HydrophobicContact CE2-CE1 4.45Å; Y258-F301 HydrophobicContact CE2-CE2 4.11Å; Y258-F301 AromaticContact CE2-CZ 3.74Å; Y258-F301 HydrophobicContact CE2-CZ 3.74Å |
| 259 | K | 97.4 | Very high | 96.5 | Very high | 105 Ų | 105 | 46.8 Ų | 46.8 | 46% | 0.457 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.7 | -35.3 | 178 | -76.8 | 178.1 | 166.8 | 176.1 | 0 | 112.7 | E255 R256 M261 | E255-K259 HydrophobicContact CG-CD 4.15Å; E255-K259 HydrophobicContact CG-CG 4.49Å; E255-K259 WeakPolarHBondContact O-CB 3.25Å; E255-K259 WeakPolarHBondContact O-CG 3.43Å; E255-K259 PolarHBondContact O-N 3.32Å; E255-K259 WeakPolarHBondContact OE1-CE 3.39Å; E255-K259 IonicContact OE1-NZ 3.38Å; E255-K259 PolarHBondContact OE1-NZ 2.72Å; R256-K259 PolarHBondContact O-N 3.45Å; K259-M261 PolarHBondContact O-N 2.95Å |
| 260 | S | 97.4 | Very high | 96.5 | Very high | 5 Ų | 5 | 44 Ų | 44 | 4% | 0.035 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.1 | -22.1 | 179 | 67.8 | 0 | 0 | 0 | 0 | 113.5 | R256 L257 Y258 T266 T267 | R256-S260 WeakPolarHBondContact O-CB 3.25Å; R256-S260 PolarHBondContact O-N 3.3Å; R256-S260 PolarHBondContact O-OG 3.18Å; L257-S260 PolarHBondContact O-N 3.03Å; L257-S260 PolarHBondContact O-OG 3.1Å; Y258-S260 VanDerWaalsContact C-N 3.3Å; Y258-S260 PolarHBondContact O-N 3.25Å; S260-T266 CarbonylContact O-C 3.58Å; S260-T266 WeakPolarHBondContact O-CA 3.46Å; S260-T266 WeakPolarHBondContact O-CG2 3.29Å; S260-T267 PolarHBondContact O-N 2.88Å |
| 261 | M | 97.6 | Very high | 96.5 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -115.3 | 1 | -177.1 | -71.1 | 178.6 | -74.5 | 0 | 0 | 112.9 | L257 Y258 K259 T266 L271 L298 F301 I302 D305 | L257-M261 HydrophobicContact CB-CE 4.1Å; L257-M261 WeakPolarHBondContact O-CE 3.46Å; L257-M261 PolarHBondContact O-N 3.29Å; Y258-M261 PolarHBondContact O-N 3.4Å; K259-M261 PolarHBondContact O-N 2.95Å; M261-T266 HydrophobicContact CG-CG2 3.95Å; M261-L271 HydrophobicContact CE-CD1 3.97Å; M261-L271 HydrophobicContact CG-CD2 3.91Å; M261-L271 HydrophobicContact SD-CD1 3.97Å; M261-L271 HydrophobicContact SD-CD2 3.84Å; M261-L298 HydrophobicContact CE-CD1 3.79Å; M261-F301 HydrophobicContact CB-CD1 3.48Å; M261-F301 VanDerWaalsContact CB-CD1 3.48Å; M261-F301 HydrophobicContact CB-CE1 3.33Å; M261-F301 HydrophobicContact CE-CD1 3.74Å; M261-F301 HydrophobicContact CG-CD1 4.3Å; M261-F301 HydrophobicContact SD-CD1 3.89Å; M261-I302 HydrophobicContact CE-CG1 4.03Å; M261-I302 HydrophobicContact SD-CB 4.39Å; M261-I302 HydrophobicContact SD-CG1 3.73Å; M261-D305 VanDerWaalsContact CA-OD2 3.26Å; M261-D305 WeakPolarHBondContact CA-OD2 3.28Å; M261-D305 HydrophobicContact CB-CB 4.21Å; M261-D305 VanDerWaalsContact CB-OD2 3.31Å; M261-D305 WeakPolarHBondContact CB-OD2 3.36Å; M261-D305 HydrophobicContact CG-CB 4.21Å; M261-D305 WeakPolarHBondContact CG-OD2 3.29Å; M261-D305 HydrophobicContact SD-CB 4.43Å |
| 262 | K | 95.1 | Very high | 96.5 | Very high | 132 Ų | 132 | 42.3 Ų | 42.3 | 57% | 0.574 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -87.6 | 121.2 | -177.7 | -175.7 | -162.9 | -171.8 | 169.1 | 0 | 110.3 | Y258 | Y258-K262 HydrophobicContact CD1-CD 4.45Å; Y258-K262 HydrophobicContact CE1-CB 4.25Å; Y258-K262 HydrophobicContact CE1-CD 3.55Å; Y258-K262 HydrophobicContact CE1-CG 4.16Å; Y258-K262 VanDerWaalsContact O-CB 3.23Å; Y258-K262 WeakPolarHBondContact O-CB 3.14Å; Y258-K262 PolarHBondContact O-N 3.05Å; Y258-K262 WeakPolarHBondContact OH-CD 3.43Å; Y258-K262 VanDerWaalsContact OH-CE 3.27Å; Y258-K262 WeakPolarHBondContact OH-CE 3.37Å |
| 263 | G | 92 | Very high | 96.5 | Very high | 58 Ų | 58 | 42.2 Ų | 42.2 | 60% | 0.598 | 24% | 0.24 | S | C | * | . | S | Bend | trans | 113.6 | -149.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 264 | L | 86.2 | Confident | 96.5 | Very high | 189 Ų | 189 | 42.1 Ų | 42.1 | 99% | 0.99 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -89.7 | 116.8 | 173.8 | -66.4 | 176.9 | 0 | 0 | 0 | 109.1 | ||
| 265 | G | 90.4 | Very high | 96.5 | Very high | 55 Ų | 55 | 42.1 Ų | 42.1 | 57% | 0.567 | 24% | 0.24 | S | C | * | . | S | Bend | trans | 87.1 | 171.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 266 | T | 94.6 | Very high | 96.5 | Very high | 36 Ų | 36 | 41.4 Ų | 41.4 | 22% | 0.221 | 24% | 0.237 | C | C | . | . | trans | -125.3 | 136.1 | -173.9 | -43.6 | 0 | 0 | 0 | 0 | 109.9 | S260 M261 D268 L271 D305 | S260-T266 CarbonylContact O-C 3.58Å; S260-T266 WeakPolarHBondContact O-CA 3.46Å; S260-T266 WeakPolarHBondContact O-CG2 3.29Å; M261-T266 HydrophobicContact CG-CG2 3.95Å; T266-D268 VanDerWaalsContact C-N 3.27Å; T266-D268 PolarHBondContact O-N 3.07Å; T266-D268 VanDerWaalsContact O-N 3.11Å; T266-L271 HydrophobicContact CG2-CD2 3.9Å; T266-D305 WeakPolarHBondContact CB-OD2 3.38Å; T266-D305 WeakPolarHBondContact CG2-OD2 3.43Å; T266-D305 PolarHBondContact OG1-OD2 3.43Å | ||
| 267 | T | 96.8 | Very high | 96.5 | Very high | 72 Ų | 72 | 40.1 Ų | 40.1 | 44% | 0.442 | 24% | 0.237 | S | C | . | . | trans | -82.3 | 78.4 | 164.9 | -50.3 | 0 | 0 | 0 | 0 | 108.6 | S260 S269 V270 L271 | S260-T267 PolarHBondContact O-N 2.88Å; T267-S269 VanDerWaalsContact C-N 3.26Å; T267-S269 PolarHBondContact O-N 3.38Å; T267-V270 HydrophobicContact CG2-CB 4.14Å; T267-V270 HydrophobicContact CG2-CG2 3.62Å; T267-V270 PolarHBondContact O-N 2.85Å; T267-V270 VanDerWaalsContact O-N 3.15Å; T267-L271 PolarHBondContact O-N 3.06Å | ||
| 268 | D | 97.5 | Very high | 96.4 | Very high | 39 Ų | 39 | 40.8 Ų | 40.8 | 21% | 0.209 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.3 | -33.9 | -172.3 | -72.9 | -59.6 | 0 | 0 | 0 | 113.6 | N77 T266 V270 L271 I272 Y310 | N77-D268 PolarHBondContact ND2-OD1 3.39Å; N77-D268 PolarHBondContact ND2-OD2 3.14Å; T266-D268 VanDerWaalsContact C-N 3.27Å; T266-D268 PolarHBondContact O-N 3.07Å; T266-D268 VanDerWaalsContact O-N 3.11Å; D268-V270 VanDerWaalsContact C-N 3.33Å; D268-V270 PolarHBondContact O-N 3.09Å; D268-L271 PolarHBondContact O-N 2.93Å; D268-I272 HydrophobicContact CB-CD1 4.25Å; D268-I272 VanDerWaalsContact O-CB 3.31Å; D268-I272 WeakPolarHBondContact O-CB 3.39Å; D268-I272 WeakPolarHBondContact O-CD1 3.46Å; D268-I272 WeakPolarHBondContact O-CG1 3.44Å; D268-I272 PolarHBondContact O-N 3.21Å; D268-Y310 WeakPolarHBondContact OD1-CE1 3.32Å; D268-Y310 PolarHBondContact OD1-OH 3.44Å |
| 269 | S | 96.8 | Very high | 96.4 | Very high | 46 Ų | 46 | 38.6 Ų | 38.6 | 32% | 0.322 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.1 | -44.6 | 177.4 | 63.4 | 0 | 0 | 0 | 0 | 112 | E107 T267 R273 | E107-S269 PolarHBondContact OE1-OG 2.72Å; T267-S269 VanDerWaalsContact C-N 3.26Å; T267-S269 PolarHBondContact O-N 3.38Å; S269-R273 WeakPolarHBondContact O-CB 3.22Å; S269-R273 PolarHBondContact O-N 3.42Å |
| 270 | V | 97.8 | Very high | 96.4 | Very high | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.03 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.6 | -45.7 | 177.6 | 176.5 | 0 | 0 | 0 | 0 | 110.6 | R256 T267 D268 I274 | R256-V270 HydrophobicContact CB-CG1 4.44Å; T267-V270 HydrophobicContact CG2-CB 4.14Å; T267-V270 HydrophobicContact CG2-CG2 3.62Å; T267-V270 PolarHBondContact O-N 2.85Å; T267-V270 VanDerWaalsContact O-N 3.15Å; D268-V270 VanDerWaalsContact C-N 3.33Å; D268-V270 PolarHBondContact O-N 3.09Å; V270-I274 HydrophobicContact CG1-CD1 3.68Å; V270-I274 HydrophobicContact CG1-CG1 4.5Å; V270-I274 VanDerWaalsContact O-CG1 3.29Å; V270-I274 WeakPolarHBondContact O-CG1 3.31Å; V270-I274 PolarHBondContact O-N 2.79Å |
| 271 | L | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60 | -52.1 | 179.8 | 177.6 | 54.2 | 0 | 0 | 0 | 110.9 | L257 M261 T266 T267 D268 I274 M275 I302 T306 Y310 L314 | L257-L271 HydrophobicContact CD2-CD1 3.52Å; M261-L271 HydrophobicContact CE-CD1 3.97Å; M261-L271 HydrophobicContact CG-CD2 3.91Å; M261-L271 HydrophobicContact SD-CD1 3.97Å; M261-L271 HydrophobicContact SD-CD2 3.84Å; T266-L271 HydrophobicContact CG2-CD2 3.9Å; T267-L271 PolarHBondContact O-N 3.06Å; D268-L271 PolarHBondContact O-N 2.93Å; L271-I274 PolarHBondContact O-N 3.28Å; L271-M275 HydrophobicContact CD1-CG 3.74Å; L271-M275 HydrophobicContact CG-CG 4.47Å; L271-M275 WeakPolarHBondContact O-CB 3.36Å; L271-M275 WeakPolarHBondContact O-CG 3.3Å; L271-M275 PolarHBondContact O-N 2.99Å; L271-I302 HydrophobicContact CD1-CG1 4.39Å; L271-T306 HydrophobicContact CD2-CG2 3.85Å; L271-Y310 WeakPolarHBondContact CD2-OH 3.47Å; L271-L314 HydrophobicContact CD2-CD1 3.68Å; L271-L314 HydrophobicContact CG-CD1 3.92Å |
| 272 | I | 98.8 | Very high | 96.2 | Very high | 8 Ų | 8 | 36.7 Ų | 36.7 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.3 | -50.7 | 180 | -67.1 | 168 | 0 | 0 | 0 | 110.5 | N77 V81 D268 I274 M275 V276 Y310 | N77-I272 HydrophobicContact CB-CD1 3.88Å; V81-I272 HydrophobicContact CG2-CB 4.35Å; V81-I272 HydrophobicContact CG2-CD1 4.26Å; V81-I272 HydrophobicContact CG2-CG1 3.77Å; V81-I272 HydrophobicContact CG2-CG2 3.88Å; D268-I272 HydrophobicContact CB-CD1 4.25Å; D268-I272 VanDerWaalsContact O-CB 3.31Å; D268-I272 WeakPolarHBondContact O-CB 3.39Å; D268-I272 WeakPolarHBondContact O-CD1 3.46Å; D268-I272 WeakPolarHBondContact O-CG1 3.44Å; D268-I272 PolarHBondContact O-N 3.21Å; I272-I274 VanDerWaalsContact C-N 3.32Å; I272-I274 PolarHBondContact O-N 3.45Å; I272-M275 PolarHBondContact O-N 3.45Å; I272-V276 HydrophobicContact CG2-CG2 4.17Å; I272-V276 WeakPolarHBondContact O-CB 3.33Å; I272-V276 WeakPolarHBondContact O-CG2 3.43Å; I272-V276 PolarHBondContact O-N 2.94Å; I272-Y310 HydrophobicContact CD1-CE2 3.94Å; I272-Y310 HydrophobicContact CG1-CE2 3.69Å |
| 273 | R | 98.5 | Very high | 96.4 | Very high | 5 Ų | 5 | 30.4 Ų | 30.4 | 2% | 0.019 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57 | -45.4 | -177.8 | -179.5 | 173.1 | 58.2 | -112.1 | 4.5 | 112.1 | Y92 E96 E107 D113 S269 A277 | Y92-R273 HydrophobicContact CE1-CG 4.4Å; Y92-R273 WeakPolarHBondContact OH-CA 3.45Å; E96-R273 HydrophobicContact CG-CG 4.22Å; E96-R273 IonicContact OE2-NH1 3.63Å; E107-R273 IonicContact OE1-CZ 3.88Å; E107-R273 IonicContact OE1-NH1 2.65Å; E107-R273 PolarHBondContact OE1-NH1 3.45Å; E107-R273 IonicContact OE1-NH2 2.88Å; E107-R273 IonicContact OE2-NH1 3.67Å; D113-R273 IonicContact OD2-CZ 2.7Å; D113-R273 IonicContact OD2-NE 3.58Å; D113-R273 IonicContact OD2-NH2 2.63Å; D113-R273 PolarHBondContact OD2-NH2 2.96Å; S269-R273 WeakPolarHBondContact O-CB 3.22Å; S269-R273 PolarHBondContact O-N 3.42Å; R273-A277 WeakPolarHBondContact O-CB 3.31Å; R273-A277 PolarHBondContact O-N 3.31Å |
| 274 | I | 98.5 | Very high | 96.7 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.015 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.2 | -45.6 | 179.3 | -63.2 | 170 | 0 | 0 | 0 | 110.7 | F253 R256 L257 V270 L271 I272 V276 A277 R278 | F253-I274 HydrophobicContact CB-CG2 4.14Å; F253-I274 HydrophobicContact CD1-CD1 4.05Å; F253-I274 HydrophobicContact CD1-CG1 3.93Å; F253-I274 HydrophobicContact CD1-CG2 4.06Å; F253-I274 HydrophobicContact CE1-CG1 4.39Å; F253-I274 HydrophobicContact CG-CG2 4.31Å; R256-I274 HydrophobicContact CB-CD1 3.49Å; R256-I274 VanDerWaalsContact CB-CD1 3.49Å; L257-I274 HydrophobicContact CD1-CG2 3.85Å; L257-I274 HydrophobicContact CD2-CB 3.93Å; L257-I274 HydrophobicContact CD2-CD1 4.26Å; L257-I274 HydrophobicContact CD2-CG2 3.85Å; L257-I274 HydrophobicContact CG-CB 4.29Å; L257-I274 HydrophobicContact CG-CD1 4.11Å; L257-I274 HydrophobicContact CG-CG2 3.79Å; V270-I274 HydrophobicContact CG1-CD1 3.68Å; V270-I274 HydrophobicContact CG1-CG1 4.5Å; V270-I274 VanDerWaalsContact O-CG1 3.29Å; V270-I274 WeakPolarHBondContact O-CG1 3.31Å; V270-I274 PolarHBondContact O-N 2.79Å; L271-I274 PolarHBondContact O-N 3.28Å; I272-I274 VanDerWaalsContact C-N 3.32Å; I272-I274 PolarHBondContact O-N 3.45Å; I274-V276 VanDerWaalsContact C-N 3.34Å; I274-V276 PolarHBondContact O-N 3.04Å; I274-A277 PolarHBondContact O-N 3.4Å; I274-R278 HydrophobicContact CG2-CG 3.87Å; I274-R278 VanDerWaalsContact O-CB 3.27Å; I274-R278 WeakPolarHBondContact O-CB 3.44Å; I274-R278 VanDerWaalsContact O-CG 3.23Å; I274-R278 WeakPolarHBondContact O-CG 3.39Å; I274-R278 PolarHBondContact O-N 2.99Å |
| 275 | M | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.2 | -42.2 | -178.6 | -67.6 | -61.3 | -62.6 | 0 | 0 | 111.7 | L257 L271 I272 A279 M283 L298 I302 L314 L317 C318 | L257-M275 HydrophobicContact CD2-CG 4.26Å; L257-M275 HydrophobicContact CD2-SD 4.17Å; L271-M275 HydrophobicContact CD1-CG 3.74Å; L271-M275 HydrophobicContact CG-CG 4.47Å; L271-M275 WeakPolarHBondContact O-CB 3.36Å; L271-M275 WeakPolarHBondContact O-CG 3.3Å; L271-M275 PolarHBondContact O-N 2.99Å; I272-M275 PolarHBondContact O-N 3.45Å; M275-A279 WeakPolarHBondContact O-CB 3.27Å; M275-A279 PolarHBondContact O-N 3.06Å; M275-M283 HydrophobicContact CE-CE 3.97Å; M275-M283 HydrophobicContact CE-SD 4.39Å; M275-M283 HydrophobicContact SD-CE 3.57Å; M275-M283 VanDerWaalsContact SD-CE 3.57Å; M275-M283 HydrophobicContact SD-SD 4.11Å; M275-L298 HydrophobicContact SD-CD2 4.29Å; M275-I302 HydrophobicContact CE-CD1 3.8Å; M275-I302 HydrophobicContact SD-CD1 3.97Å; M275-L314 HydrophobicContact CB-CD2 3.83Å; M275-L314 WeakPolarHBondContact CE-O 3.36Å; M275-L314 HydrophobicContact CG-CD2 3.97Å; M275-L317 HydrophobicContact CB-CD1 4.41Å; M275-L317 HydrophobicContact CE-CB 4.01Å; M275-C318 HydrophobicContact CE-CB 3.73Å |
| 276 | V | 98.5 | Very high | 97.6 | Very high | 15 Ų | 15 | 21.1 Ų | 21.1 | 9% | 0.091 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.5 | -50.5 | 175.3 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | V81 L85 Y92 I272 I274 R278 | V81-V276 HydrophobicContact CG1-CG2 4.22Å; L85-V276 HydrophobicContact CD2-CB 4.49Å; L85-V276 HydrophobicContact CD2-CG1 4.25Å; L85-V276 HydrophobicContact CD2-CG2 4.13Å; L85-V276 HydrophobicContact CG-CG2 4.37Å; Y92-V276 HydrophobicContact CD1-CG1 3.87Å; Y92-V276 HydrophobicContact CE1-CB 3.84Å; Y92-V276 HydrophobicContact CE1-CG1 3.55Å; Y92-V276 HydrophobicContact CE2-CG1 4.34Å; Y92-V276 HydrophobicContact CG-CG1 4.37Å; I272-V276 HydrophobicContact CG2-CG2 4.17Å; I272-V276 WeakPolarHBondContact O-CB 3.33Å; I272-V276 WeakPolarHBondContact O-CG2 3.43Å; I272-V276 PolarHBondContact O-N 2.94Å; I274-V276 VanDerWaalsContact C-N 3.34Å; I274-V276 PolarHBondContact O-N 3.04Å; V276-R278 VanDerWaalsContact C-N 3.31Å; V276-R278 PolarHBondContact O-N 3.33Å |
| 277 | A | 97.4 | Very high | 97.8 | Very high | 19 Ų | 19 | 20.6 Ų | 20.6 | 16% | 0.157 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -72.1 | -23.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y92 R273 I274 I281 | Y92-A277 HydrophobicContact CD1-CB 4.44Å; Y92-A277 HydrophobicContact CE1-CB 4.41Å; R273-A277 WeakPolarHBondContact O-CB 3.31Å; R273-A277 PolarHBondContact O-N 3.31Å; I274-A277 PolarHBondContact O-N 3.4Å; A277-I281 VanDerWaalsContact O-CD1 3.28Å; A277-I281 WeakPolarHBondContact O-CD1 3.46Å |
| 278 | R | 97.6 | Very high | 97.9 | Very high | 13 Ų | 13 | 20.4 Ų | 20.4 | 5% | 0.049 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -110.8 | -13 | -171.5 | -50.2 | -47.5 | -63.7 | 178 | -8.3 | 114.6 | F253 I274 V276 E280 I281 D282 M283 I286 | F253-R278 HydrophobicContact CD2-CG 4.26Å; F253-R278 HydrophobicContact CE2-CG 4.39Å; F253-R278 HydrophobicContact CG-CG 4.38Å; I274-R278 HydrophobicContact CG2-CG 3.87Å; I274-R278 VanDerWaalsContact O-CB 3.27Å; I274-R278 WeakPolarHBondContact O-CB 3.44Å; I274-R278 VanDerWaalsContact O-CG 3.23Å; I274-R278 WeakPolarHBondContact O-CG 3.39Å; I274-R278 PolarHBondContact O-N 2.99Å; V276-R278 VanDerWaalsContact C-N 3.31Å; V276-R278 PolarHBondContact O-N 3.33Å; R278-E280 PolarHBondContact O-N 3.38Å; R278-E280 VanDerWaalsContact O-N 3.15Å; R278-I281 PolarHBondContact O-N 3.05Å; R278-D282 IonicContact CZ-OD1 2.71Å; R278-D282 IonicContact CZ-OD2 3.1Å; R278-D282 IonicContact NE-OD1 2.71Å; R278-D282 PolarHBondContact NE-OD1 3.23Å; R278-D282 IonicContact NE-OD2 2.73Å; R278-D282 IonicContact NH2-OD1 3.98Å; R278-D282 PolarHBondContact NH2-OD1 3.37Å; R278-D282 VanDerWaalsContact NH2-OD1 3.13Å; R278-D282 IonicContact NH2-OD2 2.72Å; R278-D282 PolarHBondContact NH2-OD2 2.84Å; R278-D282 PolarHBondContact O-N 3.23Å; R278-M283 HydrophobicContact CB-CE 3.98Å; R278-M283 PolarHBondContact O-N 2.93Å; R278-I286 HydrophobicContact CB-CD1 3.64Å; R278-I286 HydrophobicContact CG-CD1 3.81Å |
| 279 | A | 97.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 21.1 Ų | 21.1 | 2% | 0.017 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -34 | -177 | 0 | 0 | 0 | 0 | 0 | 114.3 | G8 T9 V10 M275 L317 | G8-A279 CarbonylContact C-O 3.4Å; G8-A279 WeakPolarHBondContact CA-O 3.3Å; T9-A279 PolarHBondContact N-O 3.17Å; T9-A279 PolarHBondContact OG1-O 3.05Å; V10-A279 HydrophobicContact CB-CB 4.47Å; V10-A279 HydrophobicContact CG2-CB 3.92Å; V10-A279 PolarHBondContact N-O 3.15Å; V10-A279 VanDerWaalsContact N-O 3.12Å; M275-A279 WeakPolarHBondContact O-CB 3.27Å; M275-A279 PolarHBondContact O-N 3.06Å; A279-L317 HydrophobicContact CB-CB 4.47Å; A279-L317 HydrophobicContact CB-CD2 4.2Å |
| 280 | E | 96.9 | Very high | 98 | Very high | 19 Ų | 19 | 18.9 Ų | 18.9 | 9% | 0.089 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 7.6 | -179.9 | -66 | -178.3 | -131.2 | 0 | 0 | 113.5 | G5 V10 T47 I48 R51 R278 | G5-E280 PolarHBondContact N-O 3.36Å; V10-E280 HydrophobicContact CB-CG 3.89Å; V10-E280 HydrophobicContact CG1-CG 4.09Å; T47-E280 WeakPolarHBondContact CA-OE2 3.47Å; T47-E280 VanDerWaalsContact CB-OE2 3.32Å; T47-E280 WeakPolarHBondContact CB-OE2 3.39Å; I48-E280 VanDerWaalsContact N-CD 3.28Å; I48-E280 PolarHBondContact N-OE1 3.18Å; I48-E280 PolarHBondContact N-OE2 2.95Å; R51-E280 IonicContact CZ-OE1 3.8Å; R51-E280 IonicContact NH2-OE1 3.55Å; R51-E280 PolarHBondContact NH2-OE1 2.72Å; R278-E280 PolarHBondContact O-N 3.38Å; R278-E280 VanDerWaalsContact O-N 3.15Å |
| 281 | I | 95.4 | Very high | 98.1 | Very high | 39 Ų | 39 | 22.4 Ų | 22.4 | 20% | 0.2 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | -72.9 | -171.5 | -52.9 | -178.3 | 0 | 0 | 0 | 111.1 | G5 R7 G8 A277 R278 | G5-I281 WeakPolarHBondContact CA-O 3.31Å; R7-I281 CarbonylContact C-O 3.26Å; R7-I281 VanDerWaalsContact C-O 3.26Å; R7-I281 PolarHBondContact N-O 2.75Å; G8-I281 PolarHBondContact N-O 2.86Å; A277-I281 VanDerWaalsContact O-CD1 3.28Å; A277-I281 WeakPolarHBondContact O-CD1 3.46Å; R278-I281 PolarHBondContact O-N 3.05Å |
| 282 | D | 96.8 | Very high | 98.1 | Very high | 15 Ų | 15 | 30.3 Ų | 30.3 | 8% | 0.08 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -142.2 | 20.6 | -167.4 | 60 | -9.3 | 0 | 0 | 0 | 113.1 | R7 R278 L284 D285 I286 | R7-D282 CarbonylContact O-C 3.43Å; R278-D282 IonicContact CZ-OD1 2.71Å; R278-D282 IonicContact CZ-OD2 3.1Å; R278-D282 IonicContact NE-OD1 2.71Å; R278-D282 PolarHBondContact NE-OD1 3.23Å; R278-D282 IonicContact NE-OD2 2.73Å; R278-D282 IonicContact NH2-OD1 3.98Å; R278-D282 PolarHBondContact NH2-OD1 3.37Å; R278-D282 VanDerWaalsContact NH2-OD1 3.13Å; R278-D282 IonicContact NH2-OD2 2.72Å; R278-D282 PolarHBondContact NH2-OD2 2.84Å; R278-D282 PolarHBondContact O-N 3.23Å; D282-L284 PolarHBondContact O-N 3.17Å; D282-D285 PolarHBondContact O-N 3.45Å; D282-I286 WeakPolarHBondContact O-CG1 3.36Å; D282-I286 PolarHBondContact O-N 3.22Å; D282-I286 WeakPolarHBondContact OD1-CD1 3.27Å |
| 283 | M | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.4 | -35 | -179.4 | -171.3 | 57.8 | 71.3 | 0 | 0 | 113.1 | R7 T9 M275 R278 D285 I286 K287 L298 | R7-M283 PolarHBondContact O-N 3.37Å; T9-M283 HydrophobicContact CG2-CB 3.81Å; T9-M283 HydrophobicContact CG2-CG 3.64Å; T9-M283 WeakPolarHBondContact OG1-CB 3.4Å; T9-M283 WeakPolarHBondContact OG1-CG 3.48Å; M275-M283 HydrophobicContact CE-CE 3.97Å; M275-M283 HydrophobicContact CE-SD 4.39Å; M275-M283 HydrophobicContact SD-CE 3.57Å; M275-M283 VanDerWaalsContact SD-CE 3.57Å; M275-M283 HydrophobicContact SD-SD 4.11Å; R278-M283 HydrophobicContact CB-CE 3.98Å; R278-M283 PolarHBondContact O-N 2.93Å; M283-D285 VanDerWaalsContact C-N 3.31Å; M283-D285 PolarHBondContact O-N 2.88Å; M283-I286 PolarHBondContact O-N 3.07Å; M283-I286 HydrophobicContact SD-CB 4.42Å; M283-I286 HydrophobicContact SD-CG2 4.43Å; M283-K287 HydrophobicContact CG-CD 4.28Å; M283-K287 WeakPolarHBondContact O-CB 3.49Å; M283-K287 WeakPolarHBondContact O-CG 3.31Å; M283-K287 PolarHBondContact O-N 3.37Å; M283-L298 HydrophobicContact SD-CD2 3.89Å |
| 284 | L | 98.3 | Very high | 98 | Very high | 58 Ų | 58 | 36.1 Ų | 36.1 | 30% | 0.304 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.7 | -36.5 | 175.2 | -65.1 | 176.1 | 0 | 0 | 0 | 112.4 | R7 T9 D282 S288 | R7-L284 VanDerWaalsContact O-CB 3.28Å; R7-L284 WeakPolarHBondContact O-CB 3.21Å; R7-L284 WeakPolarHBondContact O-CG 3.39Å; R7-L284 PolarHBondContact O-N 2.95Å; T9-L284 HydrophobicContact CG2-CD2 3.63Å; T9-L284 HydrophobicContact CG2-CG 4.08Å; D282-L284 PolarHBondContact O-N 3.17Å; L284-S288 PolarHBondContact O-N 2.96Å; L284-S288 VanDerWaalsContact O-N 3.16Å; L284-S288 PolarHBondContact O-OG 3.36Å |
| 285 | D | 98.3 | Very high | 97.9 | Very high | 49 Ų | 49 | 38.6 Ų | 38.6 | 26% | 0.262 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -77.2 | -37.5 | 178.7 | -60.5 | -28.8 | 0 | 0 | 0 | 110.9 | R7 P250 D282 M283 S288 Q289 | R7-D285 WeakPolarHBondContact CG-OD2 3.42Å; R7-D285 IonicContact CZ-OD1 2.71Å; R7-D285 VanDerWaalsContact CZ-OD1 3.3Å; R7-D285 IonicContact NE-OD1 3.2Å; R7-D285 PolarHBondContact NE-OD1 2.84Å; R7-D285 IonicContact NE-OD2 3.59Å; R7-D285 IonicContact NH2-OD1 3.89Å; R7-D285 PolarHBondContact NH2-OD1 3.35Å; P250-D285 HydrophobicContact CB-CB 3.93Å; P250-D285 HydrophobicContact CG-CB 3.94Å; D282-D285 PolarHBondContact O-N 3.45Å; M283-D285 VanDerWaalsContact C-N 3.31Å; M283-D285 PolarHBondContact O-N 2.88Å; D285-S288 WeakPolarHBondContact O-CB 3.39Å; D285-S288 PolarHBondContact O-N 3.4Å; D285-Q289 WeakPolarHBondContact O-CG 3.19Å; D285-Q289 PolarHBondContact O-N 2.82Å |
| 286 | I | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.1 | -47.7 | 172.8 | -67.9 | 169.2 | 0 | 0 | 0 | 110 | P250 F253 A254 L257 R278 D282 M283 S288 Q289 F290 L298 | P250-I286 HydrophobicContact CB-CG1 4.08Å; F253-I286 HydrophobicContact CB-CD1 3.71Å; F253-I286 HydrophobicContact CB-CG1 4.01Å; F253-I286 HydrophobicContact CB-CG2 4.41Å; F253-I286 HydrophobicContact CD2-CD1 4.18Å; F253-I286 HydrophobicContact CG-CD1 4.24Å; A254-I286 HydrophobicContact CB-CG2 4.27Å; L257-I286 HydrophobicContact CD1-CG2 3.62Å; R278-I286 HydrophobicContact CB-CD1 3.64Å; R278-I286 HydrophobicContact CG-CD1 3.81Å; D282-I286 WeakPolarHBondContact O-CG1 3.36Å; D282-I286 PolarHBondContact O-N 3.22Å; D282-I286 WeakPolarHBondContact OD1-CD1 3.27Å; M283-I286 PolarHBondContact O-N 3.07Å; M283-I286 HydrophobicContact SD-CB 4.42Å; M283-I286 HydrophobicContact SD-CG2 4.43Å; I286-S288 VanDerWaalsContact C-N 3.31Å; I286-S288 PolarHBondContact O-N 3.42Å; I286-Q289 PolarHBondContact O-N 2.83Å; I286-F290 WeakPolarHBondContact O-CB 3.28Å; I286-F290 PolarHBondContact O-N 3.47Å; I286-L298 HydrophobicContact CG2-CD2 4.49Å |
| 287 | K | 98.4 | Very high | 97.8 | Very high | 26 Ų | 26 | 45.1 Ų | 45.1 | 11% | 0.113 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.4 | -44.7 | 176 | -73.4 | 170.1 | 69.1 | 175.4 | 0 | 112.1 | T9 M283 Q289 F290 Q291 L298 C318 G320 | T9-K287 HydrophobicContact CG2-CD 4.22Å; M283-K287 HydrophobicContact CG-CD 4.28Å; M283-K287 WeakPolarHBondContact O-CB 3.49Å; M283-K287 WeakPolarHBondContact O-CG 3.31Å; M283-K287 PolarHBondContact O-N 3.37Å; K287-Q289 PolarHBondContact O-N 3.23Å; K287-F290 PolarHBondContact O-N 2.97Å; K287-Q291 PolarHBondContact O-N 3.35Å; K287-L298 HydrophobicContact CG-CB 4.15Å; K287-L298 HydrophobicContact CG-CD2 3.91Å; K287-C318 VanDerWaalsContact CD-O 3.28Å; K287-C318 WeakPolarHBondContact CD-O 3.27Å; K287-C318 WeakPolarHBondContact CE-O 3.38Å; K287-C318 PolarHBondContact NZ-O 2.65Å; K287-G320 PolarHBondContact NZ-O 3.44Å |
| 288 | S | 98.3 | Very high | 97.8 | Very high | 67 Ų | 67 | 44.3 Ų | 44.3 | 47% | 0.469 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.2 | -43.6 | 178.5 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | L284 D285 I286 K292 | L284-S288 PolarHBondContact O-N 2.96Å; L284-S288 VanDerWaalsContact O-N 3.16Å; L284-S288 PolarHBondContact O-OG 3.36Å; D285-S288 WeakPolarHBondContact O-CB 3.39Å; D285-S288 PolarHBondContact O-N 3.4Å; I286-S288 VanDerWaalsContact C-N 3.31Å; I286-S288 PolarHBondContact O-N 3.42Å; S288-K292 WeakPolarHBondContact O-CB 3.13Å; S288-K292 PolarHBondContact O-N 3.39Å |
| 289 | Q | 98.6 | Very high | 97.9 | Very high | 54 Ų | 54 | 45 Ų | 45 | 25% | 0.252 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.2 | -41.2 | 175.2 | -66.7 | -59.8 | -32.1 | 0 | 0 | 112 | P250 A251 A254 D285 I286 K287 Q291 K292 M293 | P250-Q289 HydrophobicContact CB-CG 4.03Å; A251-Q289 HydrophobicContact CB-CB 4.31Å; A251-Q289 HydrophobicContact CB-CG 4.12Å; A254-Q289 HydrophobicContact CB-CB 3.94Å; D285-Q289 WeakPolarHBondContact O-CG 3.19Å; D285-Q289 PolarHBondContact O-N 2.82Å; I286-Q289 PolarHBondContact O-N 2.83Å; K287-Q289 PolarHBondContact O-N 3.23Å; Q289-Q291 PolarHBondContact O-N 3.07Å; Q289-K292 PolarHBondContact O-N 2.99Å; Q289-M293 HydrophobicContact CB-SD 4.39Å; Q289-M293 WeakPolarHBondContact O-CB 3.33Å; Q289-M293 WeakPolarHBondContact O-CG 3.44Å; Q289-M293 PolarHBondContact O-N 3.26Å |
| 290 | F | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.4 | -48.8 | 177.8 | -166.2 | -74.4 | 0 | 0 | 0 | 111.1 | A254 L257 Y258 I286 K287 K292 M293 Y294 K296 L298 F301 | A254-F290 HydrophobicContact CB-CB 3.92Å; A254-F290 HydrophobicContact CB-CD2 4.27Å; A254-F290 WeakPolarHBondContact O-CD2 3.41Å; L257-F290 HydrophobicContact CB-CD2 4.26Å; L257-F290 HydrophobicContact CB-CE2 4.03Å; Y258-F290 HydrophobicContact CD2-CZ 4.07Å; I286-F290 WeakPolarHBondContact O-CB 3.28Å; I286-F290 PolarHBondContact O-N 3.47Å; K287-F290 PolarHBondContact O-N 2.97Å; F290-K292 PolarHBondContact O-N 3.14Å; F290-M293 PolarHBondContact O-N 3.1Å; F290-Y294 HydrophobicContact CD1-CD2 4Å; F290-Y294 HydrophobicContact CD2-CD2 4.09Å; F290-Y294 HydrophobicContact CD2-CE2 4.31Å; F290-Y294 HydrophobicContact CE1-CD2 4.09Å; F290-Y294 HydrophobicContact CE2-CD2 4.19Å; F290-Y294 HydrophobicContact CE2-CE2 4.46Å; F290-Y294 AromaticContact CG-CD2 4Å; F290-Y294 HydrophobicContact CG-CD2 4Å; F290-Y294 HydrophobicContact CZ-CD2 4.18Å; F290-Y294 WeakPolarHBondContact O-CB 3.02Å; F290-Y294 WeakPolarHBondContact O-CD2 3.42Å; F290-Y294 PolarHBondContact O-N 3.36Å; F290-K296 VanDerWaalsContact CD1-O 3.25Å; F290-K296 WeakPolarHBondContact CD1-O 3.47Å; F290-L298 HydrophobicContact CB-CB 4.38Å; F290-L298 HydrophobicContact CD1-CB 4.17Å; F290-L298 HydrophobicContact CD2-CB 4.41Å; F290-L298 HydrophobicContact CD2-CD1 3.84Å; F290-L298 HydrophobicContact CE2-CD1 3.73Å; F290-L298 HydrophobicContact CG-CB 4.08Å; F290-L298 HydrophobicContact CG-CD1 4.36Å; F290-L298 HydrophobicContact CZ-CD1 4.18Å; F290-F301 HydrophobicContact CE1-CB 4.1Å; F290-F301 HydrophobicContact CE1-CG 4.22Å; F290-F301 HydrophobicContact CZ-CB 3.95Å; F290-F301 AromaticContact CZ-CD1 3.87Å; F290-F301 HydrophobicContact CZ-CD1 3.87Å; F290-F301 HydrophobicContact CZ-CD2 4.39Å; F290-F301 HydrophobicContact CZ-CE1 4.44Å; F290-F301 AromaticContact CZ-CG 3.82Å; F290-F301 HydrophobicContact CZ-CG 3.82Å |
| 291 | Q | 98.3 | Very high | 97.9 | Very high | 78 Ų | 78 | 47.9 Ų | 47.9 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.9 | -45.6 | 175.6 | -178.8 | 63.7 | 34.3 | 0 | 0 | 111.5 | K287 Q289 M293 G295 K296 T297 | K287-Q291 PolarHBondContact O-N 3.35Å; Q289-Q291 PolarHBondContact O-N 3.07Å; Q291-M293 VanDerWaalsContact C-N 3.32Å; Q291-M293 PolarHBondContact O-N 3.07Å; Q291-G295 PolarHBondContact NE2-O 3.04Å; Q291-G295 WeakPolarHBondContact O-CA 3.24Å; Q291-G295 PolarHBondContact O-N 3.17Å; Q291-K296 PolarHBondContact OE1-O 2.84Å; Q291-K296 VanDerWaalsContact OE1-O 3.07Å; Q291-T297 VanDerWaalsContact OE1-CA 3.22Å; Q291-T297 VanDerWaalsContact OE1-CG2 3.24Å |
| 292 | K | 98.4 | Very high | 98 | Very high | 166 Ų | 166 | 46 Ų | 46 | 72% | 0.722 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -60.7 | -40.2 | 178.8 | -178.2 | -177 | 176.5 | -175.6 | 0 | 112.4 | S288 Q289 F290 | S288-K292 WeakPolarHBondContact O-CB 3.13Å; S288-K292 PolarHBondContact O-N 3.39Å; Q289-K292 PolarHBondContact O-N 2.99Å; F290-K292 PolarHBondContact O-N 3.14Å |
| 293 | M | 98.2 | Very high | 98 | Very high | 76 Ų | 76 | 50.8 Ų | 50.8 | 37% | 0.374 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -81.7 | -33 | -174.3 | -69 | 170.6 | 69.8 | 0 | 0 | 112.9 | A251 A254 E255 Q289 F290 Q291 | A251-M293 HydrophobicContact CB-SD 4.13Å; A254-M293 HydrophobicContact CB-SD 4.25Å; E255-M293 HydrophobicContact CB-CE 4.1Å; Q289-M293 HydrophobicContact CB-SD 4.39Å; Q289-M293 WeakPolarHBondContact O-CB 3.33Å; Q289-M293 WeakPolarHBondContact O-CG 3.44Å; Q289-M293 PolarHBondContact O-N 3.26Å; F290-M293 PolarHBondContact O-N 3.1Å; Q291-M293 VanDerWaalsContact C-N 3.32Å; Q291-M293 PolarHBondContact O-N 3.07Å |
| 294 | Y | 97.8 | Very high | 97.9 | Very high | 59 Ų | 59 | 54.2 Ų | 54.2 | 23% | 0.231 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -123.2 | -4.9 | -167.9 | -55.5 | -60.3 | 0 | 0 | 0 | 114.9 | E255 Y258 F290 K296 | E255-Y294 VanDerWaalsContact CA-OH 3.28Å; E255-Y294 WeakPolarHBondContact CA-OH 3.21Å; E255-Y294 WeakPolarHBondContact CG-OH 3.42Å; Y258-Y294 VanDerWaalsContact CB-CZ 3.48Å; Y258-Y294 AromaticContact CD1-CD1 3.93Å; Y258-Y294 HydrophobicContact CD1-CD1 3.93Å; Y258-Y294 AromaticContact CD1-CE1 3.37Å; Y258-Y294 HydrophobicContact CD1-CE1 3.37Å; Y258-Y294 HydrophobicContact CD1-CE2 4.17Å; Y258-Y294 AromaticContact CD1-CZ 3.5Å; Y258-Y294 AromaticContact CD2-CD1 3.68Å; Y258-Y294 HydrophobicContact CD2-CD1 3.68Å; Y258-Y294 AromaticContact CD2-CD2 3.81Å; Y258-Y294 HydrophobicContact CD2-CD2 3.81Å; Y258-Y294 AromaticContact CD2-CE1 3.95Å; Y258-Y294 HydrophobicContact CD2-CE1 3.95Å; Y258-Y294 HydrophobicContact CD2-CE2 4.08Å; Y258-Y294 AromaticContact CD2-CG 3.6Å; Y258-Y294 HydrophobicContact CD2-CG 3.6Å; Y258-Y294 AromaticContact CE1-CD1 3.94Å; Y258-Y294 HydrophobicContact CE1-CD1 3.94Å; Y258-Y294 AromaticContact CE1-CE1 3.61Å; Y258-Y294 HydrophobicContact CE1-CE1 3.61Å; Y258-Y294 AromaticContact CE2-CD1 3.72Å; Y258-Y294 HydrophobicContact CE2-CD1 3.72Å; Y258-Y294 HydrophobicContact CE2-CE1 4.19Å; Y258-Y294 AromaticContact CE2-CG 3.95Å; Y258-Y294 HydrophobicContact CE2-CG 3.95Å; Y258-Y294 AromaticContact CG-CD1 3.79Å; Y258-Y294 HydrophobicContact CG-CD1 3.79Å; Y258-Y294 AromaticContact CG-CD2 3.84Å; Y258-Y294 HydrophobicContact CG-CD2 3.84Å; Y258-Y294 AromaticContact CG-CE1 3.54Å; Y258-Y294 HydrophobicContact CG-CE1 3.54Å; Y258-Y294 AromaticContact CG-CE2 3.6Å; Y258-Y294 HydrophobicContact CG-CE2 3.6Å; Y258-Y294 AromaticContact CG-CG 3.93Å; Y258-Y294 HydrophobicContact CG-CG 3.93Å; Y258-Y294 AromaticContact CG-CZ 3.43Å; Y258-Y294 VanDerWaalsContact CG-CZ 3.43Å; Y258-Y294 AromaticContact CZ-CD1 3.85Å; F290-Y294 HydrophobicContact CD1-CD2 4Å; F290-Y294 HydrophobicContact CD2-CD2 4.09Å; F290-Y294 HydrophobicContact CD2-CE2 4.31Å; F290-Y294 HydrophobicContact CE1-CD2 4.09Å; F290-Y294 HydrophobicContact CE2-CD2 4.19Å; F290-Y294 HydrophobicContact CE2-CE2 4.46Å; F290-Y294 AromaticContact CG-CD2 4Å; F290-Y294 HydrophobicContact CG-CD2 4Å; F290-Y294 HydrophobicContact CZ-CD2 4.18Å; F290-Y294 WeakPolarHBondContact O-CB 3.02Å; F290-Y294 WeakPolarHBondContact O-CD2 3.42Å; F290-Y294 PolarHBondContact O-N 3.36Å; Y294-K296 PolarHBondContact O-N 2.57Å; Y294-K296 VanDerWaalsContact O-N 3.13Å |
| 295 | G | 97.3 | Very high | 97.8 | Very high | 55 Ų | 55 | 53.6 Ų | 53.6 | 57% | 0.567 | 29% | 0.294 | S | S | * | . | S | Bend | trans | 66.8 | 9.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q291 | Q291-G295 PolarHBondContact NE2-O 3.04Å; Q291-G295 WeakPolarHBondContact O-CA 3.24Å; Q291-G295 PolarHBondContact O-N 3.17Å |
| 296 | K | 95.7 | Very high | 97.8 | Very high | 123 Ų | 123 | 51.7 Ų | 51.7 | 54% | 0.535 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -130.9 | 148.4 | 178 | -64.4 | -172.2 | 178.7 | -173.6 | 0 | 109.8 | F290 Q291 Y294 F301 | F290-K296 VanDerWaalsContact CD1-O 3.25Å; F290-K296 WeakPolarHBondContact CD1-O 3.47Å; Q291-K296 PolarHBondContact OE1-O 2.84Å; Q291-K296 VanDerWaalsContact OE1-O 3.07Å; Y294-K296 PolarHBondContact O-N 2.57Å; Y294-K296 VanDerWaalsContact O-N 3.13Å; K296-F301 HydrophobicContact CD-CD2 4.26Å; K296-F301 HydrophobicContact CD-CE2 4.48Å |
| 297 | T | 98 | Very high | 97.7 | Very high | 30 Ų | 30 | 55.7 Ų | 55.7 | 18% | 0.184 | 31% | 0.312 | C | S | . | . | trans | -75.6 | 145.6 | 179.7 | 65.1 | 0 | 0 | 0 | 0 | 109.3 | Q291 H299 S300 F301 | Q291-T297 VanDerWaalsContact OE1-CA 3.22Å; Q291-T297 VanDerWaalsContact OE1-CG2 3.24Å; T297-H299 PolarHBondContact O-N 3.13Å; T297-S300 PolarHBondContact N-OG 2.93Å; T297-S300 PolarHBondContact O-N 2.8Å; T297-S300 PolarHBondContact O-OG 3.42Å; T297-S300 VanDerWaalsContact OG1-CB 3.24Å; T297-S300 WeakPolarHBondContact OG1-CB 3.24Å; T297-S300 PolarHBondContact OG1-N 3.05Å; T297-S300 VanDerWaalsContact OG1-N 3.07Å; T297-S300 PolarHBondContact OG1-OG 2.96Å; T297-S300 VanDerWaalsContact OG1-OG 3.12Å; T297-F301 PolarHBondContact O-N 3.17Å; T297-F301 VanDerWaalsContact O-N 3.09Å | ||
| 298 | L | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56 | -41.1 | 174.1 | 176.6 | 61.1 | 0 | 0 | 0 | 111.1 | L257 M261 M275 M283 I286 K287 F290 S300 F301 I302 | L257-L298 HydrophobicContact CB-CD1 4.14Å; L257-L298 HydrophobicContact CD1-CD1 3.92Å; L257-L298 HydrophobicContact CD1-CD2 3.78Å; L257-L298 HydrophobicContact CG-CD1 4.47Å; M261-L298 HydrophobicContact CE-CD1 3.79Å; M275-L298 HydrophobicContact SD-CD2 4.29Å; M283-L298 HydrophobicContact SD-CD2 3.89Å; I286-L298 HydrophobicContact CG2-CD2 4.49Å; K287-L298 HydrophobicContact CG-CB 4.15Å; K287-L298 HydrophobicContact CG-CD2 3.91Å; F290-L298 HydrophobicContact CB-CB 4.38Å; F290-L298 HydrophobicContact CD1-CB 4.17Å; F290-L298 HydrophobicContact CD2-CB 4.41Å; F290-L298 HydrophobicContact CD2-CD1 3.84Å; F290-L298 HydrophobicContact CE2-CD1 3.73Å; F290-L298 HydrophobicContact CG-CB 4.08Å; F290-L298 HydrophobicContact CG-CD1 4.36Å; F290-L298 HydrophobicContact CZ-CD1 4.18Å; L298-S300 PolarHBondContact O-N 2.84Å; L298-F301 PolarHBondContact O-N 3.04Å; L298-I302 HydrophobicContact CD1-CD1 3.98Å; L298-I302 HydrophobicContact CD1-CG1 4.13Å; L298-I302 HydrophobicContact CD2-CD1 4.5Å; L298-I302 HydrophobicContact CG-CD1 3.85Å; L298-I302 HydrophobicContact CG-CG1 4.42Å; L298-I302 WeakPolarHBondContact O-CG1 3.36Å; L298-I302 PolarHBondContact O-N 3.11Å |
| 299 | H | 98.4 | Very high | 97.7 | Very high | 29 Ų | 29 | 55.1 Ų | 55.1 | 13% | 0.134 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.1 | -49.9 | 175.9 | 178.9 | -87.1 | 0 | 0 | 0 | 111.9 | T297 F301 I302 K303 L315 G319 E321 | T297-H299 PolarHBondContact O-N 3.13Å; H299-F301 VanDerWaalsContact C-N 3.27Å; H299-F301 PolarHBondContact O-N 3.3Å; H299-I302 PolarHBondContact O-N 3.03Å; H299-K303 WeakPolarHBondContact O-CB 3.49Å; H299-K303 PolarHBondContact O-N 3.46Å; H299-L315 WeakPolarHBondContact O-CD2 3.1Å; H299-G319 PolarHBondContact CD2-O 3.31Å; H299-G319 VanDerWaalsContact CD2-O 3.31Å; H299-E321 HydrophobicContact CB-CG 4.39Å; H299-E321 IonicContact ND1-OE1 3.63Å |
| 300 | S | 97.6 | Very high | 97.8 | Very high | 46 Ų | 46 | 53.5 Ų | 53.5 | 32% | 0.322 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.1 | -34.5 | 178.3 | 72.3 | 0 | 0 | 0 | 0 | 112.8 | T297 L298 G304 | T297-S300 PolarHBondContact N-OG 2.93Å; T297-S300 PolarHBondContact O-N 2.8Å; T297-S300 PolarHBondContact O-OG 3.42Å; T297-S300 VanDerWaalsContact OG1-CB 3.24Å; T297-S300 WeakPolarHBondContact OG1-CB 3.24Å; T297-S300 PolarHBondContact OG1-N 3.05Å; T297-S300 VanDerWaalsContact OG1-N 3.07Å; T297-S300 PolarHBondContact OG1-OG 2.96Å; T297-S300 VanDerWaalsContact OG1-OG 3.12Å; L298-S300 PolarHBondContact O-N 2.84Å; S300-G304 PolarHBondContact O-N 3.17Å; S300-G304 VanDerWaalsContact O-N 3.16Å |
| 301 | F | 97.1 | Very high | 97.8 | Very high | 34 Ų | 34 | 57.6 Ų | 57.6 | 15% | 0.149 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.9 | -48.7 | 180 | -146 | -105.5 | 0 | 0 | 0 | 111.1 | Y258 M261 F290 K296 T297 L298 H299 K303 G304 D305 | Y258-F301 HydrophobicContact CD2-CE1 4.05Å; Y258-F301 HydrophobicContact CD2-CE2 4.29Å; Y258-F301 AromaticContact CD2-CZ 3.78Å; Y258-F301 HydrophobicContact CD2-CZ 3.78Å; Y258-F301 HydrophobicContact CE2-CE1 4.45Å; Y258-F301 HydrophobicContact CE2-CE2 4.11Å; Y258-F301 AromaticContact CE2-CZ 3.74Å; Y258-F301 HydrophobicContact CE2-CZ 3.74Å; M261-F301 HydrophobicContact CB-CD1 3.48Å; M261-F301 VanDerWaalsContact CB-CD1 3.48Å; M261-F301 HydrophobicContact CB-CE1 3.33Å; M261-F301 HydrophobicContact CE-CD1 3.74Å; M261-F301 HydrophobicContact CG-CD1 4.3Å; M261-F301 HydrophobicContact SD-CD1 3.89Å; F290-F301 HydrophobicContact CE1-CB 4.1Å; F290-F301 HydrophobicContact CE1-CG 4.22Å; F290-F301 HydrophobicContact CZ-CB 3.95Å; F290-F301 AromaticContact CZ-CD1 3.87Å; F290-F301 HydrophobicContact CZ-CD1 3.87Å; F290-F301 HydrophobicContact CZ-CD2 4.39Å; F290-F301 HydrophobicContact CZ-CE1 4.44Å; F290-F301 AromaticContact CZ-CG 3.82Å; F290-F301 HydrophobicContact CZ-CG 3.82Å; K296-F301 HydrophobicContact CD-CD2 4.26Å; K296-F301 HydrophobicContact CD-CE2 4.48Å; T297-F301 PolarHBondContact O-N 3.17Å; T297-F301 VanDerWaalsContact O-N 3.09Å; L298-F301 PolarHBondContact O-N 3.04Å; H299-F301 VanDerWaalsContact C-N 3.27Å; H299-F301 PolarHBondContact O-N 3.3Å; F301-K303 VanDerWaalsContact C-N 3.3Å; F301-K303 PolarHBondContact O-N 3.08Å; F301-G304 PolarHBondContact O-N 2.73Å; F301-D305 WeakPolarHBondContact O-CB 3.44Å; F301-D305 PolarHBondContact O-N 3.48Å; F301-D305 VanDerWaalsContact O-N 3.12Å |
| 302 | I | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.5 | -44.8 | 173.9 | -67.2 | 168.9 | 0 | 0 | 0 | 110.5 | M261 L271 M275 L298 H299 G304 D305 T306 L314 L315 C318 | M261-I302 HydrophobicContact CE-CG1 4.03Å; M261-I302 HydrophobicContact SD-CB 4.39Å; M261-I302 HydrophobicContact SD-CG1 3.73Å; L271-I302 HydrophobicContact CD1-CG1 4.39Å; M275-I302 HydrophobicContact CE-CD1 3.8Å; M275-I302 HydrophobicContact SD-CD1 3.97Å; L298-I302 HydrophobicContact CD1-CD1 3.98Å; L298-I302 HydrophobicContact CD1-CG1 4.13Å; L298-I302 HydrophobicContact CD2-CD1 4.5Å; L298-I302 HydrophobicContact CG-CD1 3.85Å; L298-I302 HydrophobicContact CG-CG1 4.42Å; L298-I302 WeakPolarHBondContact O-CG1 3.36Å; L298-I302 PolarHBondContact O-N 3.11Å; H299-I302 PolarHBondContact O-N 3.03Å; I302-G304 VanDerWaalsContact C-N 3.27Å; I302-G304 PolarHBondContact O-N 2.78Å; I302-D305 PolarHBondContact O-N 3.31Å; I302-T306 HydrophobicContact CG2-CG2 4.49Å; I302-T306 PolarHBondContact O-N 3.06Å; I302-T306 PolarHBondContact O-OG1 3.03Å; I302-L314 HydrophobicContact CG2-CB 3.74Å; I302-L314 HydrophobicContact CG2-CD1 4.07Å; I302-L315 HydrophobicContact CB-CD2 3.86Å; I302-L315 HydrophobicContact CG2-CD2 3.62Å; I302-L315 HydrophobicContact CG2-CG 4.26Å; I302-C318 HydrophobicContact CD1-CB 4.13Å |
| 303 | K | 97.6 | Very high | 97.8 | Very high | 116 Ų | 116 | 50.9 Ų | 50.9 | 50% | 0.504 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.9 | -36.4 | -178.2 | -175.1 | 178.3 | -179.4 | 179 | 0 | 112.8 | H299 F301 R311 L315 | H299-K303 WeakPolarHBondContact O-CB 3.49Å; H299-K303 PolarHBondContact O-N 3.46Å; F301-K303 VanDerWaalsContact C-N 3.3Å; F301-K303 PolarHBondContact O-N 3.08Å; K303-R311 WeakPolarHBondContact O-CD 3.36Å; K303-L315 HydrophobicContact CB-CD1 4.26Å; K303-L315 HydrophobicContact CB-CD2 4.16Å; K303-L315 HydrophobicContact CG-CD1 4.35Å |
| 304 | G | 96 | Very high | 97.8 | Very high | 71 Ų | 71 | 47.2 Ų | 47.2 | 73% | 0.732 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -78.2 | -29.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S300 F301 I302 | S300-G304 PolarHBondContact O-N 3.17Å; S300-G304 VanDerWaalsContact O-N 3.16Å; F301-G304 PolarHBondContact O-N 2.73Å; I302-G304 VanDerWaalsContact C-N 3.27Å; I302-G304 PolarHBondContact O-N 2.78Å |
| 305 | D | 95.8 | Very high | 97.8 | Very high | 46 Ų | 46 | 45.7 Ų | 45.7 | 25% | 0.246 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -99.7 | -18.4 | -171.6 | -150.3 | 54.3 | 0 | 0 | 0 | 113.8 | M261 T266 F301 I302 | M261-D305 VanDerWaalsContact CA-OD2 3.26Å; M261-D305 WeakPolarHBondContact CA-OD2 3.28Å; M261-D305 HydrophobicContact CB-CB 4.21Å; M261-D305 VanDerWaalsContact CB-OD2 3.31Å; M261-D305 WeakPolarHBondContact CB-OD2 3.36Å; M261-D305 HydrophobicContact CG-CB 4.21Å; M261-D305 WeakPolarHBondContact CG-OD2 3.29Å; M261-D305 HydrophobicContact SD-CB 4.43Å; T266-D305 WeakPolarHBondContact CB-OD2 3.38Å; T266-D305 WeakPolarHBondContact CG2-OD2 3.43Å; T266-D305 PolarHBondContact OG1-OD2 3.43Å; F301-D305 WeakPolarHBondContact O-CB 3.44Å; F301-D305 PolarHBondContact O-N 3.48Å; F301-D305 VanDerWaalsContact O-N 3.12Å; I302-D305 PolarHBondContact O-N 3.31Å |
| 306 | T | 97.9 | Very high | 97.9 | Very high | 9 Ų | 9 | 47 Ų | 47 | 6% | 0.055 | 26% | 0.26 | C | S | . | . | trans | -118.5 | 166.3 | -177.2 | 65.7 | 0 | 0 | 0 | 0 | 112.3 | L271 I302 Y310 R311 L314 | L271-T306 HydrophobicContact CD2-CG2 3.85Å; I302-T306 HydrophobicContact CG2-CG2 4.49Å; I302-T306 PolarHBondContact O-N 3.06Å; I302-T306 PolarHBondContact O-OG1 3.03Å; T306-Y310 HydrophobicContact CG2-CD1 4.26Å; T306-Y310 HydrophobicContact CG2-CE1 3.67Å; T306-R311 WeakPolarHBondContact O-CD 3.45Å; T306-R311 PolarHBondContact O-NH1 3.47Å; T306-R311 WeakPolarHBondContact OG1-CA 3.39Å; T306-R311 WeakPolarHBondContact OG1-CB 3.43Å; T306-R311 VanDerWaalsContact OG1-CG 3.3Å; T306-R311 WeakPolarHBondContact OG1-CG 3.08Å; T306-L314 HydrophobicContact CG2-CD1 4.04Å | ||
| 307 | S | 98 | Very high | 98 | Very high | 84 Ų | 84 | 41.1 Ų | 41.1 | 59% | 0.587 | 23% | 0.234 | S | C | * | . | trans | -144.8 | 174.3 | 179.9 | 70.8 | 0 | 0 | 0 | 0 | 113.1 | R311 | S307-R311 PolarHBondContact O-N 3.39Š| ||
| 308 | G | 98.3 | Very high | 98.1 | Very high | 39 Ų | 39 | 39.7 Ų | 39.7 | 40% | 0.402 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | 60.4 | -154.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y310 R311 K312 | G308-Y310 VanDerWaalsContact C-N 3.28Å; G308-Y310 PolarHBondContact O-N 3.36Å; G308-R311 PolarHBondContact O-N 3.4Å; G308-K312 PolarHBondContact O-N 3.23Å |
| 309 | D | 98.4 | Very high | 97.9 | Very high | 41 Ų | 41 | 40.7 Ų | 40.7 | 22% | 0.219 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.6 | -27 | 179.5 | -55.5 | -58.8 | 0 | 0 | 0 | 112.5 | E36 F78 R311 K312 I313 | E36-D309 HydrophobicContact CB-CB 3.91Å; E36-D309 HydrophobicContact CG-CB 4.41Å; F78-D309 HydrophobicContact CD2-CB 3.87Å; F78-D309 WeakPolarHBondContact CD2-O 3.41Å; F78-D309 HydrophobicContact CE2-CB 3.96Å; F78-D309 HydrophobicContact CG-CB 4.21Å; F78-D309 HydrophobicContact CZ-CB 4.39Å; D309-R311 PolarHBondContact O-N 3.17Å; D309-K312 PolarHBondContact O-N 3.31Å; D309-K312 WeakPolarHBondContact OD1-CE 3.45Å; D309-K312 IonicContact OD1-NZ 3.3Å; D309-K312 PolarHBondContact OD1-NZ 3.49Å; D309-I313 WeakPolarHBondContact O-CG2 3.44Å; D309-I313 PolarHBondContact O-N 3.39Å |
| 310 | Y | 98.7 | Very high | 97.4 | Very high | 21 Ų | 21 | 41.9 Ų | 41.9 | 8% | 0.082 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -55.6 | -48.6 | 168.5 | 171.8 | -133 | 0 | 0 | 0 | 111.8 | N77 V81 D268 L271 I272 T306 G308 I313 L314 | N77-Y310 HydrophobicContact CB-CD1 3.88Å; N77-Y310 HydrophobicContact CB-CD2 3.71Å; N77-Y310 HydrophobicContact CB-CE1 3.98Å; N77-Y310 HydrophobicContact CB-CE2 3.83Å; N77-Y310 HydrophobicContact CB-CG 3.73Å; V81-Y310 HydrophobicContact CG2-CD2 3.99Å; V81-Y310 HydrophobicContact CG2-CE2 3.9Å; D268-Y310 WeakPolarHBondContact OD1-CE1 3.32Å; D268-Y310 PolarHBondContact OD1-OH 3.44Å; L271-Y310 WeakPolarHBondContact CD2-OH 3.47Å; I272-Y310 HydrophobicContact CD1-CE2 3.94Å; I272-Y310 HydrophobicContact CG1-CE2 3.69Å; T306-Y310 HydrophobicContact CG2-CD1 4.26Å; T306-Y310 HydrophobicContact CG2-CE1 3.67Å; G308-Y310 VanDerWaalsContact C-N 3.28Å; G308-Y310 PolarHBondContact O-N 3.36Å; Y310-I313 VanDerWaalsContact O-CG2 3.27Å; Y310-I313 WeakPolarHBondContact O-CG2 3.42Å; Y310-L314 HydrophobicContact CD2-CD1 3.95Å; Y310-L314 HydrophobicContact CD2-CG 4Å; Y310-L314 HydrophobicContact CE1-CD1 4.15Å; Y310-L314 HydrophobicContact CE2-CD1 3.29Å; Y310-L314 HydrophobicContact CE2-CD2 4.05Å; Y310-L314 HydrophobicContact CE2-CG 3.65Å; Y310-L314 VanDerWaalsContact CZ-CD1 3.43Å; Y310-L314 WeakPolarHBondContact O-CG 3.28Å; Y310-L314 PolarHBondContact O-N 3.04Å |
| 311 | R | 98.6 | Very high | 96.4 | Very high | 85 Ų | 85 | 48 Ų | 48 | 32% | 0.321 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.9 | -48.6 | 173.1 | 176.2 | 175.4 | 57.4 | -158.8 | 2.7 | 111.7 | K303 T306 S307 G308 D309 I313 L314 L315 | K303-R311 WeakPolarHBondContact O-CD 3.36Å; T306-R311 WeakPolarHBondContact O-CD 3.45Å; T306-R311 PolarHBondContact O-NH1 3.47Å; T306-R311 WeakPolarHBondContact OG1-CA 3.39Å; T306-R311 WeakPolarHBondContact OG1-CB 3.43Å; T306-R311 VanDerWaalsContact OG1-CG 3.3Å; T306-R311 WeakPolarHBondContact OG1-CG 3.08Å; S307-R311 PolarHBondContact O-N 3.39Å; G308-R311 PolarHBondContact O-N 3.4Å; D309-R311 PolarHBondContact O-N 3.17Å; R311-I313 VanDerWaalsContact C-N 3.35Å; R311-I313 PolarHBondContact O-N 3.18Å; R311-L314 PolarHBondContact O-N 3.35Å; R311-L315 HydrophobicContact CG-CD1 3.74Å; R311-L315 HydrophobicContact CG-CG 4.01Å; R311-L315 WeakPolarHBondContact O-CG 3.44Å; R311-L315 PolarHBondContact O-N 2.83Å |
| 312 | K | 98.6 | Very high | 96.4 | Very high | 103 Ų | 103 | 48.7 Ų | 48.7 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -55.6 | -51.4 | -174.8 | -66.4 | 176.4 | -166.1 | 159.9 | 0 | 110.6 | G308 D309 L314 L315 E316 | G308-K312 PolarHBondContact O-N 3.23Å; D309-K312 PolarHBondContact O-N 3.31Å; D309-K312 WeakPolarHBondContact OD1-CE 3.45Å; D309-K312 IonicContact OD1-NZ 3.3Å; D309-K312 PolarHBondContact OD1-NZ 3.49Å; K312-L314 VanDerWaalsContact C-N 3.35Å; K312-L314 PolarHBondContact O-N 3.07Å; K312-L315 PolarHBondContact O-N 3.03Å; K312-E316 WeakPolarHBondContact O-CG 2.82Å; K312-E316 PolarHBondContact O-N 3.21Å |
| 313 | I | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.4 | -37.6 | -179.9 | -165.8 | 163 | 0 | 0 | 0 | 112.6 | T40 A44 F78 V81 V82 L85 D309 Y310 R311 L315 E316 L317 | T40-I313 HydrophobicContact CG2-CB 3.91Å; T40-I313 HydrophobicContact CG2-CG1 4.07Å; A44-I313 HydrophobicContact CB-CG1 4.25Å; F78-I313 HydrophobicContact CD2-CB 4.35Å; F78-I313 HydrophobicContact CD2-CG2 3.73Å; F78-I313 HydrophobicContact CE2-CB 3.98Å; F78-I313 HydrophobicContact CE2-CD1 3.97Å; F78-I313 HydrophobicContact CE2-CG2 3.88Å; V81-I313 HydrophobicContact CB-CG2 4.17Å; V81-I313 HydrophobicContact CG1-CD1 3.82Å; V81-I313 HydrophobicContact CG1-CG1 3.96Å; V81-I313 HydrophobicContact CG1-CG2 3.88Å; V81-I313 HydrophobicContact CG2-CG2 4.32Å; V82-I313 HydrophobicContact CG2-CD1 3.82Å; L85-I313 HydrophobicContact CD1-CD1 3.81Å; L85-I313 HydrophobicContact CD1-CG1 4.35Å; D309-I313 WeakPolarHBondContact O-CG2 3.44Å; D309-I313 PolarHBondContact O-N 3.39Å; Y310-I313 VanDerWaalsContact O-CG2 3.27Å; Y310-I313 WeakPolarHBondContact O-CG2 3.42Å; R311-I313 VanDerWaalsContact C-N 3.35Å; R311-I313 PolarHBondContact O-N 3.18Å; I313-L315 VanDerWaalsContact C-N 3.33Å; I313-L315 PolarHBondContact O-N 2.98Å; I313-E316 PolarHBondContact O-N 3.02Å; I313-L317 VanDerWaalsContact O-CG 3.31Å; I313-L317 WeakPolarHBondContact O-CG 3.4Å; I313-L317 PolarHBondContact O-N 2.89Å |
| 314 | L | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.9 | -36.9 | 175.5 | -71.1 | -175.5 | 0 | 0 | 0 | 112.6 | V81 L271 M275 I302 T306 Y310 R311 K312 L317 C318 | V81-L314 HydrophobicContact CG2-CD2 4.01Å; L271-L314 HydrophobicContact CD2-CD1 3.68Å; L271-L314 HydrophobicContact CG-CD1 3.92Å; M275-L314 HydrophobicContact CB-CD2 3.83Å; M275-L314 WeakPolarHBondContact CE-O 3.36Å; M275-L314 HydrophobicContact CG-CD2 3.97Å; I302-L314 HydrophobicContact CG2-CB 3.74Å; I302-L314 HydrophobicContact CG2-CD1 4.07Å; T306-L314 HydrophobicContact CG2-CD1 4.04Å; Y310-L314 HydrophobicContact CD2-CD1 3.95Å; Y310-L314 HydrophobicContact CD2-CG 4Å; Y310-L314 HydrophobicContact CE1-CD1 4.15Å; Y310-L314 HydrophobicContact CE2-CD1 3.29Å; Y310-L314 HydrophobicContact CE2-CD2 4.05Å; Y310-L314 HydrophobicContact CE2-CG 3.65Å; Y310-L314 VanDerWaalsContact CZ-CD1 3.43Å; Y310-L314 WeakPolarHBondContact O-CG 3.28Å; Y310-L314 PolarHBondContact O-N 3.04Å; R311-L314 PolarHBondContact O-N 3.35Å; K312-L314 VanDerWaalsContact C-N 3.35Å; K312-L314 PolarHBondContact O-N 3.07Å; L314-L317 PolarHBondContact O-N 2.94Å; L314-C318 WeakPolarHBondContact O-CB 3.34Å; L314-C318 PolarHBondContact O-N 2.7Å |
| 315 | L | 98.6 | Very high | 96.3 | Very high | 26 Ų | 26 | 46.2 Ų | 46.2 | 14% | 0.136 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.5 | -38.7 | 176 | -64 | 179.8 | 0 | 0 | 0 | 111.3 | H299 I302 K303 R311 K312 I313 C318 G319 | H299-L315 WeakPolarHBondContact O-CD2 3.1Å; I302-L315 HydrophobicContact CB-CD2 3.86Å; I302-L315 HydrophobicContact CG2-CD2 3.62Å; I302-L315 HydrophobicContact CG2-CG 4.26Å; K303-L315 HydrophobicContact CB-CD1 4.26Å; K303-L315 HydrophobicContact CB-CD2 4.16Å; K303-L315 HydrophobicContact CG-CD1 4.35Å; R311-L315 HydrophobicContact CG-CD1 3.74Å; R311-L315 HydrophobicContact CG-CG 4.01Å; R311-L315 WeakPolarHBondContact O-CG 3.44Å; R311-L315 PolarHBondContact O-N 2.83Å; K312-L315 PolarHBondContact O-N 3.03Å; I313-L315 VanDerWaalsContact C-N 3.33Å; I313-L315 PolarHBondContact O-N 2.98Å; L315-C318 WeakPolarHBondContact O-CB 3.44Å; L315-C318 PolarHBondContact O-N 3.12Å; L315-G319 PolarHBondContact O-N 2.82Å |
| 316 | E | 98.5 | Very high | 96.3 | Very high | 83 Ų | 83 | 46.3 Ų | 46.3 | 39% | 0.388 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.6 | -44.7 | 172.2 | -62.7 | -51.6 | 153.7 | 0 | 0 | 111.5 | T40 A44 H45 K312 I313 C318 G319 | T40-E316 HydrophobicContact CG2-CG 3.89Å; A44-E316 HydrophobicContact CB-CB 3.6Å; A44-E316 HydrophobicContact CB-CG 4.34Å; H45-E316 IonicContact CE1-OE2 3.62Å; H45-E316 IonicContact NE2-OE2 4Å; H45-E316 PolarHBondContact NE2-OE2 3.41Å; K312-E316 WeakPolarHBondContact O-CG 2.82Å; K312-E316 PolarHBondContact O-N 3.21Å; I313-E316 PolarHBondContact O-N 3.02Å; E316-C318 VanDerWaalsContact C-N 3.27Å; E316-C318 PolarHBondContact O-N 3.31Å; E316-G319 PolarHBondContact O-N 2.91Å; E316-G319 VanDerWaalsContact O-N 3.09Å |
| 317 | L | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.6 | -31.2 | 175.1 | -65.2 | 178.9 | 0 | 0 | 0 | 112.5 | T9 V10 A44 V81 L85 M275 A279 I313 L314 G319 | T9-L317 WeakPolarHBondContact CB-O 3.48Å; T9-L317 PolarHBondContact OG1-O 2.96Å; V10-L317 HydrophobicContact CG2-CD2 3.82Å; A44-L317 HydrophobicContact CB-CD2 4.28Å; V81-L317 HydrophobicContact CG1-CD1 3.82Å; L85-L317 HydrophobicContact CD1-CD1 4.34Å; L85-L317 HydrophobicContact CD1-CD2 4.22Å; L85-L317 HydrophobicContact CD2-CD1 3.93Å; L85-L317 HydrophobicContact CD2-CD2 3.74Å; L85-L317 HydrophobicContact CD2-CG 4.49Å; M275-L317 HydrophobicContact CB-CD1 4.41Å; M275-L317 HydrophobicContact CE-CB 4.01Å; A279-L317 HydrophobicContact CB-CB 4.47Å; A279-L317 HydrophobicContact CB-CD2 4.2Å; I313-L317 VanDerWaalsContact O-CG 3.31Å; I313-L317 WeakPolarHBondContact O-CG 3.4Å; I313-L317 PolarHBondContact O-N 2.89Å; L314-L317 PolarHBondContact O-N 2.94Å; L317-G319 VanDerWaalsContact C-N 3.34Å |
| 318 | C | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -73.1 | -28.1 | 174.3 | -163.2 | 0 | 0 | 0 | 0 | 112.2 | T9 M275 K287 I302 L314 L315 E316 | T9-C318 VanDerWaalsContact CG2-O 3.26Å; T9-C318 WeakPolarHBondContact CG2-O 3.34Å; M275-C318 HydrophobicContact CE-CB 3.73Å; K287-C318 VanDerWaalsContact CD-O 3.28Å; K287-C318 WeakPolarHBondContact CD-O 3.27Å; K287-C318 WeakPolarHBondContact CE-O 3.38Å; K287-C318 PolarHBondContact NZ-O 2.65Å; I302-C318 HydrophobicContact CD1-CB 4.13Å; L314-C318 WeakPolarHBondContact O-CB 3.34Å; L314-C318 PolarHBondContact O-N 2.7Å; L315-C318 WeakPolarHBondContact O-CB 3.44Å; L315-C318 PolarHBondContact O-N 3.12Å; E316-C318 VanDerWaalsContact C-N 3.27Å; E316-C318 PolarHBondContact O-N 3.31Å |
| 319 | G | 94.6 | Very high | 95.9 | Very high | 21 Ų | 21 | 46.8 Ų | 46.8 | 22% | 0.216 | 25% | 0.245 | C | C | . | . | trans | 67.8 | -171.6 | -166.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | H299 L315 E316 L317 | H299-G319 PolarHBondContact CD2-O 3.31Å; H299-G319 VanDerWaalsContact CD2-O 3.31Å; L315-G319 PolarHBondContact O-N 2.82Å; E316-G319 PolarHBondContact O-N 2.91Å; E316-G319 VanDerWaalsContact O-N 3.09Å; L317-G319 VanDerWaalsContact C-N 3.34Å | ||
| 320 | G | 87.9 | Confident | 95.7 | Very high | 54 Ų | 54 | 47.3 Ų | 47.3 | 56% | 0.557 | 25% | 0.247 | S | C | * | . | trans | -60.4 | 175.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | K287 | K287-G320 PolarHBondContact NZ-O 3.44Š| ||
| 321 | E | 78.2 | Confident | 95.4 | Very high | 174 Ų | 174 | 49.6 Ų | 49.6 | 81% | 0.813 | 26% | 0.262 | S | S | * | . | trans | -61.3 | 0 | 179.4 | -68.1 | -164.2 | 155 | 0 | 0 | 114.5 | H299 | H299-E321 HydrophobicContact CB-CG 4.39Å; H299-E321 IonicContact ND1-OE1 3.63Å |
Retrieved 321 of 321 residues in 282.2 ms
(Link to these results)