| 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 | 36.4 | Very low | 49.5 | Very low | 188 Ų | 188 | 118 Ų | 118 | 93% | 0.926 | 57% | 0.57 | S | S | * | * | 0 | -36.2 | 0 | -92.4 | -169.9 | 153.1 | 0 | 0 | 113.1 | |||||
| 2 | E | 35.6 | Very low | 51.3 | Low | 153 Ų | 153 | 110.8 Ų | 110.8 | 72% | 0.715 | 55% | 0.549 | S | S | * | . | trans | -81.3 | -35.8 | 169.6 | -80.9 | 172.2 | 168.2 | 0 | 0 | 112.9 | E4 R5 | E2-E4 VanDerWaalsContact C-N 3.3Å; E2-E4 PolarHBondContact O-N 2.8Å; E2-R5 PolarHBondContact O-N 3.15Å; E2-R5 VanDerWaalsContact O-N 3.14Å | ||
| 3 | S | 43 | Very low | 52.9 | Low | 88 Ų | 88 | 105.8 Ų | 105.8 | 62% | 0.615 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.8 | -25.6 | 179.3 | 59.3 | 0 | 0 | 0 | 0 | 115.3 | ||
| 4 | E | 41.7 | Very low | 54.1 | Low | 135 Ų | 135 | 98.4 Ų | 98.4 | 63% | 0.631 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -77.9 | -21.3 | 177 | -77.1 | 169.4 | 157.2 | 0 | 0 | 112.4 | E2 | E2-E4 VanDerWaalsContact C-N 3.3Å; E2-E4 PolarHBondContact O-N 2.8Å |
| 5 | R | 46.6 | Very low | 55.3 | Low | 175 Ų | 175 | 94.3 Ų | 94.3 | 66% | 0.66 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -80.3 | -28.9 | -178.7 | -81.9 | -172.4 | -79.6 | -173.3 | 1.4 | 113.5 | E2 | E2-R5 PolarHBondContact O-N 3.15Å; E2-R5 VanDerWaalsContact O-N 3.14Å |
| 6 | D | 48.6 | Very low | 56.7 | Low | 132 Ų | 132 | 97.8 Ų | 97.8 | 71% | 0.706 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -76.9 | -28.7 | -178.5 | -74.9 | -21.7 | 0 | 0 | 0 | 112.5 | ||
| 7 | E | 50.8 | Low | 58.2 | Low | 118 Ų | 118 | 96.6 Ų | 96.6 | 55% | 0.551 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -19.9 | -178.4 | -62.2 | -172.5 | 172.3 | 0 | 0 | 114.4 | P10 K44 | E7-P10 WeakPolarHBondContact O-CD 3.2Å; E7-K44 IonicContact OE2-NZ 2.73Å; E7-K44 PolarHBondContact OE2-NZ 2.95Å |
| 8 | D | 54 | Low | 59.1 | Low | 73 Ų | 73 | 91.5 Ų | 91.5 | 39% | 0.39 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -3.8 | 178.7 | -71 | -11.9 | 0 | 0 | 0 | 112.3 | P10 I11 G12 K44 | D8-P10 VanDerWaalsContact C-CD 3.49Å; D8-I11 WeakPolarHBondContact O-CG2 3.4Å; D8-I11 PolarHBondContact O-N 3.26Å; D8-G12 PolarHBondContact O-N 3.38Å; D8-G12 VanDerWaalsContact O-N 3.15Å; D8-K44 IonicContact OD1-NZ 3.54Å; D8-K44 PolarHBondContact OD1-NZ 2.59Å |
| 9 | Y | 60.8 | Low | 60.2 | Low | 171 Ų | 171 | 96.1 Ų | 96.1 | 67% | 0.671 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -59.6 | -41.9 | 178.6 | -164.4 | -101.3 | 0 | 0 | 0 | 113.9 | I11 G12 V13 | Y9-I11 PolarHBondContact O-N 3.49Å; Y9-G12 PolarHBondContact O-N 3.43Å; Y9-V13 HydrophobicContact CD1-CG2 4.25Å; Y9-V13 HydrophobicContact CE1-CG2 3.9Å; Y9-V13 WeakPolarHBondContact O-CG2 3.43Å; Y9-V13 PolarHBondContact O-N 3.17Å |
| 10 | P | 62.2 | Low | 61.2 | Low | 53 Ų | 53 | 92.7 Ų | 92.7 | 34% | 0.344 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.5 | -37.1 | -179.1 | -20.6 | 32.6 | 0 | 0 | 0 | 113.5 | E7 D8 L14 | E7-P10 WeakPolarHBondContact O-CD 3.2Å; D8-P10 VanDerWaalsContact C-CD 3.49Å; P10-L14 PolarHBondContact O-N 3.37Å |
| 11 | I | 65.4 | Low | 62.3 | Low | 12 Ų | 12 | 97.5 Ų | 97.5 | 6% | 0.062 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -75.9 | -36.7 | 179.8 | -154.3 | 169.1 | 0 | 0 | 0 | 110.9 | D8 Y9 V13 L14 I15 L40 Q48 | D8-I11 WeakPolarHBondContact O-CG2 3.4Å; D8-I11 PolarHBondContact O-N 3.26Å; Y9-I11 PolarHBondContact O-N 3.49Å; I11-V13 VanDerWaalsContact C-N 3.34Å; I11-V13 PolarHBondContact O-N 3.38Å; I11-L14 PolarHBondContact O-N 2.96Å; I11-I15 HydrophobicContact CG1-CD1 4Å; I11-I15 HydrophobicContact CG1-CG1 4.3Å; I11-I15 HydrophobicContact CG2-CD1 4.5Å; I11-I15 WeakPolarHBondContact O-CB 3.45Å; I11-I15 WeakPolarHBondContact O-CG1 3.25Å; I11-I15 PolarHBondContact O-N 3.39Å; I11-L40 HydrophobicContact CB-CD1 4.47Å; I11-L40 HydrophobicContact CB-CD2 4.27Å; I11-L40 HydrophobicContact CD1-CD1 4.09Å; I11-L40 HydrophobicContact CG1-CD1 4.35Å; I11-Q48 HydrophobicContact CD1-CB 3.51Å |
| 12 | G | 70.8 | Confident | 64.8 | Low | 31 Ų | 31 | 92.5 Ų | 92.5 | 32% | 0.32 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -57.6 | -45.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D8 Y9 I15 E16 | D8-G12 PolarHBondContact O-N 3.38Å; D8-G12 VanDerWaalsContact O-N 3.15Å; Y9-G12 PolarHBondContact O-N 3.43Å; G12-I15 PolarHBondContact O-N 3.12Å; G12-E16 WeakPolarHBondContact O-CG 3.49Å; G12-E16 PolarHBondContact O-N 2.82Å |
| 13 | V | 71.8 | Confident | 67.3 | Low | 46 Ų | 46 | 86.9 Ų | 86.9 | 28% | 0.279 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 177.2 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | Y9 I11 I15 E16 E17 | Y9-V13 HydrophobicContact CD1-CG2 4.25Å; Y9-V13 HydrophobicContact CE1-CG2 3.9Å; Y9-V13 WeakPolarHBondContact O-CG2 3.43Å; Y9-V13 PolarHBondContact O-N 3.17Å; I11-V13 VanDerWaalsContact C-N 3.34Å; I11-V13 PolarHBondContact O-N 3.38Å; V13-I15 VanDerWaalsContact C-N 3.31Å; V13-I15 PolarHBondContact O-N 3.35Å; V13-E16 PolarHBondContact O-N 2.84Å; V13-E16 VanDerWaalsContact O-N 3.17Å; V13-E17 HydrophobicContact CG1-CG 4.22Å; V13-E17 WeakPolarHBondContact O-CB 3.48Å; V13-E17 WeakPolarHBondContact O-CG 3.47Å; V13-E17 PolarHBondContact O-N 3.22Å |
| 14 | L | 70 | Confident | 69.4 | Low | 2 Ų | 2 | 89.4 Ų | 89.4 | 1% | 0.01 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 177.1 | -179.9 | 62 | 0 | 0 | 0 | 111.9 | P10 I11 E16 E17 L18 I36 L49 | P10-L14 PolarHBondContact O-N 3.37Å; I11-L14 PolarHBondContact O-N 2.96Å; L14-E16 VanDerWaalsContact C-N 3.31Å; L14-E16 PolarHBondContact O-N 3.08Å; L14-E17 PolarHBondContact O-N 3.49Å; L14-L18 HydrophobicContact CD1-CD1 3.63Å; L14-L18 HydrophobicContact CD1-CG 3.89Å; L14-L18 HydrophobicContact CD2-CD1 4.18Å; L14-L18 HydrophobicContact CG-CD1 3.72Å; L14-L18 HydrophobicContact CG-CG 4.31Å; L14-L18 VanDerWaalsContact O-CB 3.31Å; L14-L18 WeakPolarHBondContact O-CB 3.43Å; L14-L18 WeakPolarHBondContact O-CG 3.4Å; L14-L18 PolarHBondContact O-N 3.09Å; L14-I36 HydrophobicContact CB-CD1 3.99Å; L14-I36 HydrophobicContact CD1-CD1 3.37Å; L14-I36 HydrophobicContact CD2-CB 4.42Å; L14-I36 HydrophobicContact CD2-CD1 3.59Å; L14-I36 HydrophobicContact CD2-CG2 3.91Å; L14-I36 HydrophobicContact CG-CD1 3.78Å; L14-L49 HydrophobicContact CD2-CD1 3.6Å |
| 15 | I | 71.9 | Confident | 71.7 | Confident | 38 Ų | 38 | 85.7 Ų | 85.7 | 20% | 0.195 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 177.6 | -69.1 | 170 | 0 | 0 | 0 | 110.2 | I11 G12 V13 R19 F52 | I11-I15 HydrophobicContact CG1-CD1 4Å; I11-I15 HydrophobicContact CG1-CG1 4.3Å; I11-I15 HydrophobicContact CG2-CD1 4.5Å; I11-I15 WeakPolarHBondContact O-CB 3.45Å; I11-I15 WeakPolarHBondContact O-CG1 3.25Å; I11-I15 PolarHBondContact O-N 3.39Å; G12-I15 PolarHBondContact O-N 3.12Å; V13-I15 VanDerWaalsContact C-N 3.31Å; V13-I15 PolarHBondContact O-N 3.35Å; I15-R19 VanDerWaalsContact O-CB 3.26Å; I15-R19 WeakPolarHBondContact O-CB 3.29Å; I15-R19 WeakPolarHBondContact O-CD 3.32Å; I15-R19 WeakPolarHBondContact O-CG 3.25Å; I15-R19 PolarHBondContact O-N 3.22Å; I15-F52 HydrophobicContact CB-CE2 4.05Å; I15-F52 HydrophobicContact CB-CZ 4.12Å; I15-F52 HydrophobicContact CD1-CD2 4.07Å; I15-F52 HydrophobicContact CD1-CE2 4.32Å; I15-F52 HydrophobicContact CD1-CG 4.45Å; I15-F52 HydrophobicContact CG1-CD1 4.23Å; I15-F52 HydrophobicContact CG1-CD2 3.71Å; I15-F52 HydrophobicContact CG1-CE1 4.09Å; I15-F52 HydrophobicContact CG1-CE2 3.56Å; I15-F52 HydrophobicContact CG1-CG 4.04Å; I15-F52 HydrophobicContact CG1-CZ 3.75Å; I15-F52 HydrophobicContact CG2-CD2 4.48Å; I15-F52 HydrophobicContact CG2-CE2 3.75Å; I15-F52 HydrophobicContact CG2-CZ 4.17Å |
| 16 | E | 77.6 | Confident | 73.7 | Confident | 150 Ų | 150 | 78.2 Ų | 78.2 | 70% | 0.701 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -67.4 | -44.1 | 175.4 | -75.6 | -174.5 | 173.6 | 0 | 0 | 112 | G12 V13 L14 R19 G20 | G12-E16 WeakPolarHBondContact O-CG 3.49Å; G12-E16 PolarHBondContact O-N 2.82Å; V13-E16 PolarHBondContact O-N 2.84Å; V13-E16 VanDerWaalsContact O-N 3.17Å; L14-E16 VanDerWaalsContact C-N 3.31Å; L14-E16 PolarHBondContact O-N 3.08Å; E16-R19 CarbonylContact O-C 3.5Å; E16-R19 PolarHBondContact O-N 2.96Å; E16-G20 PolarHBondContact O-N 3.31Å |
| 17 | E | 81.7 | Confident | 75.6 | Confident | 77 Ų | 77 | 72.6 Ų | 72.6 | 36% | 0.36 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 177.6 | -73.2 | 178 | 160.1 | 0 | 0 | 111.5 | V13 L14 R19 G20 V25 S29 | V13-E17 HydrophobicContact CG1-CG 4.22Å; V13-E17 WeakPolarHBondContact O-CB 3.48Å; V13-E17 WeakPolarHBondContact O-CG 3.47Å; V13-E17 PolarHBondContact O-N 3.22Å; L14-E17 PolarHBondContact O-N 3.49Å; E17-R19 VanDerWaalsContact C-N 3.32Å; E17-R19 PolarHBondContact O-N 3.5Å; E17-G20 PolarHBondContact O-N 3.44Å; E17-V25 HydrophobicContact CB-CG1 4.11Å; E17-V25 HydrophobicContact CG-CG1 4.2Å; E17-S29 WeakPolarHBondContact CB-OG 3.23Å; E17-S29 PolarHBondContact OE2-OG 3.23Å |
| 18 | L | 75.5 | Confident | 77.4 | Confident | 5 Ų | 5 | 70.3 Ų | 70.3 | 3% | 0.026 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -75.3 | -17.6 | 177.6 | -70.1 | 174 | 0 | 0 | 0 | 113.7 | L14 R26 I30 F52 | L14-L18 HydrophobicContact CD1-CD1 3.63Å; L14-L18 HydrophobicContact CD1-CG 3.89Å; L14-L18 HydrophobicContact CD2-CD1 4.18Å; L14-L18 HydrophobicContact CG-CD1 3.72Å; L14-L18 HydrophobicContact CG-CG 4.31Å; L14-L18 VanDerWaalsContact O-CB 3.31Å; L14-L18 WeakPolarHBondContact O-CB 3.43Å; L14-L18 WeakPolarHBondContact O-CG 3.4Å; L14-L18 PolarHBondContact O-N 3.09Å; L18-R26 HydrophobicContact CD2-CB 4.32Å; L18-R26 WeakPolarHBondContact O-CD 3.22Å; L18-I30 HydrophobicContact CD2-CD1 4.02Å; L18-I30 HydrophobicContact CD2-CG1 3.41Å; L18-I30 VanDerWaalsContact CD2-CG1 3.41Å; L18-F52 HydrophobicContact CB-CE1 4.35Å; L18-F52 HydrophobicContact CB-CZ 4.18Å; L18-F52 HydrophobicContact CD1-CE1 3.61Å; L18-F52 HydrophobicContact CD1-CZ 4.28Å |
| 19 | R | 79.5 | Confident | 79 | Confident | 179 Ų | 179 | 67 Ų | 67 | 68% | 0.675 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -5 | 170.2 | -72.3 | 175.5 | 178.7 | -177 | 2.2 | 112.8 | I15 E16 E17 | I15-R19 VanDerWaalsContact O-CB 3.26Å; I15-R19 WeakPolarHBondContact O-CB 3.29Å; I15-R19 WeakPolarHBondContact O-CD 3.32Å; I15-R19 WeakPolarHBondContact O-CG 3.25Å; I15-R19 PolarHBondContact O-N 3.22Å; E16-R19 CarbonylContact O-C 3.5Å; E16-R19 PolarHBondContact O-N 2.96Å; E17-R19 VanDerWaalsContact C-N 3.32Å; E17-R19 PolarHBondContact O-N 3.5Å |
| 20 | G | 80.5 | Confident | 80.3 | Confident | 27 Ų | 27 | 59 Ų | 59 | 28% | 0.278 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -66.9 | 153.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E16 E17 D22 R26 | E16-G20 PolarHBondContact O-N 3.31Å; E17-G20 PolarHBondContact O-N 3.44Å; G20-D22 VanDerWaalsContact C-N 3.31Å; G20-D22 PolarHBondContact O-N 3.49Å; G20-R26 VanDerWaalsContact O-CD 3.32Å; G20-R26 WeakPolarHBondContact O-CD 3.49Å; G20-R26 PolarHBondContact O-NH1 3.28Å |
| 21 | E | 83.4 | Confident | 81.7 | Confident | 194 Ų | 194 | 62.5 Ų | 62.5 | 91% | 0.907 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -74.2 | -21.9 | 179.9 | -64.3 | -177.8 | 174.2 | 0 | 0 | 112.7 | L23 R26 | E21-L23 PolarHBondContact O-N 3.43Å; E21-R26 VanDerWaalsContact C-NH1 3.29Å; E21-R26 PolarHBondContact O-NH1 2.91Å |
| 22 | D | 89.3 | Confident | 82.8 | Confident | 83 Ų | 83 | 66.5 Ų | 66.5 | 44% | 0.444 | 32% | 0.323 | S | S | . | . | trans | -79.3 | 111.3 | -177.2 | -172 | -23.7 | 0 | 0 | 0 | 112.5 | G20 H24 V25 R26 | G20-D22 VanDerWaalsContact C-N 3.31Å; G20-D22 PolarHBondContact O-N 3.49Å; D22-H24 VanDerWaalsContact C-N 3.3Å; D22-H24 PolarHBondContact O-N 3.44Å; D22-H24 WeakPolarHBondContact OD1-CB 3.4Å; D22-H24 PolarHBondContact OD1-N 2.99Å; D22-H24 IonicContact OD1-ND1 3.26Å; D22-V25 HydrophobicContact CB-CB 4.12Å; D22-V25 HydrophobicContact CB-CG2 3.89Å; D22-V25 PolarHBondContact O-N 3.49Å; D22-R26 WeakPolarHBondContact O-CG 3.45Å; D22-R26 PolarHBondContact O-N 3.42Å | ||
| 23 | L | 87.8 | Confident | 83.7 | Confident | 35 Ų | 35 | 65 Ų | 65 | 18% | 0.183 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -53.4 | -41.2 | 176.7 | 176.1 | 61.6 | 0 | 0 | 0 | 113.4 | E21 V25 R26 L27 E60 V63 | E21-L23 PolarHBondContact O-N 3.43Å; L23-V25 VanDerWaalsContact C-N 3.33Å; L23-V25 PolarHBondContact O-N 3Å; L23-R26 PolarHBondContact O-N 2.92Å; L23-L27 HydrophobicContact CD1-CD1 3.98Å; L23-L27 HydrophobicContact CD1-CG 4.04Å; L23-L27 HydrophobicContact CG-CD1 3.93Å; L23-L27 HydrophobicContact CG-CG 4.41Å; L23-L27 WeakPolarHBondContact O-CB 3.45Å; L23-L27 WeakPolarHBondContact O-CG 3.4Å; L23-L27 PolarHBondContact O-N 3.19Å; L23-E60 HydrophobicContact CD1-CB 4.3Å; L23-E60 WeakPolarHBondContact CD1-OE2 3.28Å; L23-E60 WeakPolarHBondContact CD2-OE2 3.36Å; L23-V63 HydrophobicContact CD1-CG2 3.39Å |
| 24 | H | 88.5 | Confident | 84.6 | Confident | 142 Ų | 142 | 64 Ų | 64 | 66% | 0.657 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -67.9 | -38.5 | -177.1 | -68.7 | 78.9 | 0 | 0 | 0 | 111.1 | D22 H28 | D22-H24 VanDerWaalsContact C-N 3.3Å; D22-H24 PolarHBondContact O-N 3.44Å; D22-H24 WeakPolarHBondContact OD1-CB 3.4Å; D22-H24 PolarHBondContact OD1-N 2.99Å; D22-H24 IonicContact OD1-ND1 3.26Å; H24-H28 VanDerWaalsContact O-CB 3.26Å; H24-H28 WeakPolarHBondContact O-CB 3.36Å; H24-H28 PolarHBondContact O-N 3.27Å |
| 25 | V | 88.2 | Confident | 85.5 | Confident | 57 Ų | 57 | 68.1 Ų | 68.1 | 35% | 0.345 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.4 | -46.2 | 175.6 | 177.2 | 0 | 0 | 0 | 0 | 109.9 | E17 D22 L23 L27 H28 S29 | E17-V25 HydrophobicContact CB-CG1 4.11Å; E17-V25 HydrophobicContact CG-CG1 4.2Å; D22-V25 HydrophobicContact CB-CB 4.12Å; D22-V25 HydrophobicContact CB-CG2 3.89Å; D22-V25 PolarHBondContact O-N 3.49Å; L23-V25 VanDerWaalsContact C-N 3.33Å; L23-V25 PolarHBondContact O-N 3Å; V25-L27 PolarHBondContact O-N 2.9Å; V25-H28 PolarHBondContact O-N 3.03Å; V25-S29 WeakPolarHBondContact O-CB 3.5Å; V25-S29 PolarHBondContact O-N 3.12Å; V25-S29 PolarHBondContact O-OG 3.07Å |
| 26 | R | 89.5 | Confident | 86.1 | Confident | 17 Ų | 17 | 67.5 Ų | 67.5 | 6% | 0.064 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.6 | -50.6 | 176.2 | -62 | -154.1 | -63.3 | -78.7 | -1.7 | 111.4 | L18 G20 E21 D22 L23 H28 S29 I30 D59 E60 V63 | L18-R26 HydrophobicContact CD2-CB 4.32Å; L18-R26 WeakPolarHBondContact O-CD 3.22Å; G20-R26 VanDerWaalsContact O-CD 3.32Å; G20-R26 WeakPolarHBondContact O-CD 3.49Å; G20-R26 PolarHBondContact O-NH1 3.28Å; E21-R26 VanDerWaalsContact C-NH1 3.29Å; E21-R26 PolarHBondContact O-NH1 2.91Å; D22-R26 WeakPolarHBondContact O-CG 3.45Å; D22-R26 PolarHBondContact O-N 3.42Å; L23-R26 PolarHBondContact O-N 2.92Å; R26-H28 PolarHBondContact O-N 3.47Å; R26-S29 WeakPolarHBondContact O-CB 3.3Å; R26-S29 PolarHBondContact O-N 2.86Å; R26-S29 VanDerWaalsContact O-N 3.16Å; R26-I30 WeakPolarHBondContact O-CG1 3.29Å; R26-I30 PolarHBondContact O-N 3.49Å; R26-D59 WeakPolarHBondContact CD-OD2 3.34Å; R26-D59 IonicContact CZ-OD1 2.97Å; R26-D59 VanDerWaalsContact CZ-OD1 3.25Å; R26-D59 IonicContact CZ-OD2 3.25Å; R26-D59 IonicContact NE-OD1 2.79Å; R26-D59 PolarHBondContact NE-OD1 2.88Å; R26-D59 IonicContact NE-OD2 2.79Å; R26-D59 PolarHBondContact NE-OD2 3.31Å; R26-D59 IonicContact NH2-OD1 3.92Å; R26-D59 PolarHBondContact NH2-OD1 3.44Å; R26-E60 IonicContact CZ-OE1 2.81Å; R26-E60 VanDerWaalsContact NH2-CD 3.34Å; R26-E60 IonicContact NH2-OE1 3.38Å; R26-E60 PolarHBondContact NH2-OE1 3.35Å; R26-V63 HydrophobicContact CB-CG2 4.33Å |
| 27 | L | 88.7 | Confident | 86.8 | Confident | 14 Ų | 14 | 60.3 Ų | 60.3 | 7% | 0.073 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.7 | -46.2 | 178.8 | -77.9 | 172.5 | 0 | 0 | 0 | 112.9 | L23 V25 S29 I30 R31 E62 V63 | L23-L27 HydrophobicContact CD1-CD1 3.98Å; L23-L27 HydrophobicContact CD1-CG 4.04Å; L23-L27 HydrophobicContact CG-CD1 3.93Å; L23-L27 HydrophobicContact CG-CG 4.41Å; L23-L27 WeakPolarHBondContact O-CB 3.45Å; L23-L27 WeakPolarHBondContact O-CG 3.4Å; L23-L27 PolarHBondContact O-N 3.19Å; V25-L27 PolarHBondContact O-N 2.9Å; L27-S29 VanDerWaalsContact C-N 3.27Å; L27-S29 PolarHBondContact O-N 3.04Å; L27-I30 PolarHBondContact O-N 2.9Å; L27-R31 WeakPolarHBondContact O-CG 3.45Å; L27-R31 PolarHBondContact O-N 3.35Å; L27-E62 HydrophobicContact CD1-CB 4.48Å; L27-E62 HydrophobicContact CD2-CB 4.24Å; L27-E62 WeakPolarHBondContact CD2-O 3.33Å; L27-V63 HydrophobicContact CD2-CG2 4.15Å; L27-V63 HydrophobicContact CG-CG2 4.24Å |
| 28 | H | 88.2 | Confident | 87.2 | Confident | 71 Ų | 71 | 62.5 Ų | 62.5 | 33% | 0.329 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.8 | -39.5 | 177.4 | -175.7 | 64.9 | 0 | 0 | 0 | 111.9 | H24 V25 R26 R31 K32 | H24-H28 VanDerWaalsContact O-CB 3.26Å; H24-H28 WeakPolarHBondContact O-CB 3.36Å; H24-H28 PolarHBondContact O-N 3.27Å; V25-H28 PolarHBondContact O-N 3.03Å; R26-H28 PolarHBondContact O-N 3.47Å; H28-R31 PolarHBondContact O-N 3.2Å; H28-K32 WeakPolarHBondContact CE1-CE 3.39Å; H28-K32 PolarHBondContact CE1-NZ 3.02Å; H28-K32 WeakPolarHBondContact NE2-CE 3.48Å; H28-K32 PolarHBondContact NE2-NZ 3.39Å; H28-K32 WeakPolarHBondContact O-CG 3.3Å; H28-K32 PolarHBondContact O-N 3.18Å |
| 29 | S | 87.6 | Confident | 87.8 | Confident | 3 Ų | 3 | 65.8 Ų | 65.8 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.3 | -43.5 | 178.8 | -54.3 | 0 | 0 | 0 | 0 | 111.5 | E17 V25 R26 L27 R31 K32 I33 | E17-S29 WeakPolarHBondContact CB-OG 3.23Å; E17-S29 PolarHBondContact OE2-OG 3.23Å; V25-S29 WeakPolarHBondContact O-CB 3.5Å; V25-S29 PolarHBondContact O-N 3.12Å; V25-S29 PolarHBondContact O-OG 3.07Å; R26-S29 WeakPolarHBondContact O-CB 3.3Å; R26-S29 PolarHBondContact O-N 2.86Å; R26-S29 VanDerWaalsContact O-N 3.16Å; L27-S29 VanDerWaalsContact C-N 3.27Å; L27-S29 PolarHBondContact O-N 3.04Å; S29-R31 PolarHBondContact O-N 2.91Å; S29-K32 CarbonylContact O-C 3.57Å; S29-K32 PolarHBondContact O-N 3.42Å; S29-K32 VanDerWaalsContact O-N 3.11Å; S29-I33 PolarHBondContact O-N 3.09Å |
| 30 | I | 88.9 | Confident | 88.2 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 174.7 | -63.4 | -163.4 | 0 | 0 | 0 | 111.5 | L18 R26 L27 K32 I33 V63 T66 L67 Q70 | L18-I30 HydrophobicContact CD2-CD1 4.02Å; L18-I30 HydrophobicContact CD2-CG1 3.41Å; L18-I30 VanDerWaalsContact CD2-CG1 3.41Å; R26-I30 WeakPolarHBondContact O-CG1 3.29Å; R26-I30 PolarHBondContact O-N 3.49Å; L27-I30 PolarHBondContact O-N 2.9Å; I30-K32 PolarHBondContact O-N 3.41Å; I30-K32 VanDerWaalsContact O-N 3.1Å; I30-I33 WeakPolarHBondContact O-CB 3.46Å; I30-I33 WeakPolarHBondContact O-CG2 3.46Å; I30-I33 PolarHBondContact O-N 2.98Å; I30-V63 HydrophobicContact CD1-CB 4.39Å; I30-V63 HydrophobicContact CD1-CG1 3.16Å; I30-V63 HydrophobicContact CG1-CG1 4.28Å; I30-T66 HydrophobicContact CB-CG2 4.33Å; I30-T66 HydrophobicContact CG2-CG2 3.75Å; I30-L67 HydrophobicContact CD1-CB 4Å; I30-L67 HydrophobicContact CD1-CD1 4.32Å; I30-L67 HydrophobicContact CG2-CB 4.24Å; I30-L67 HydrophobicContact CG2-CD1 4.3Å; I30-Q70 HydrophobicContact CG2-CB 4.49Å; I30-Q70 HydrophobicContact CG2-CG 4.11Å |
| 31 | R | 89.9 | Confident | 88.8 | Confident | 126 Ų | 126 | 57.8 Ų | 57.8 | 48% | 0.475 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.3 | -22.9 | 176.4 | -72.3 | 174.8 | -176.7 | 164.2 | 3.4 | 112.9 | L27 H28 S29 T66 | L27-R31 WeakPolarHBondContact O-CG 3.45Å; L27-R31 PolarHBondContact O-N 3.35Å; H28-R31 PolarHBondContact O-N 3.2Å; S29-R31 PolarHBondContact O-N 2.91Å; R31-T66 HydrophobicContact CG-CG2 3.85Å |
| 32 | K | 88.7 | Confident | 89.3 | Confident | 95 Ų | 95 | 51.5 Ų | 51.5 | 41% | 0.413 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 7.5 | 177.3 | -71.2 | -178 | 174.4 | -178.9 | 0 | 114 | H28 S29 I30 S34 T35 I36 | H28-K32 WeakPolarHBondContact CE1-CE 3.39Å; H28-K32 PolarHBondContact CE1-NZ 3.02Å; H28-K32 WeakPolarHBondContact NE2-CE 3.48Å; H28-K32 PolarHBondContact NE2-NZ 3.39Å; H28-K32 WeakPolarHBondContact O-CG 3.3Å; H28-K32 PolarHBondContact O-N 3.18Å; S29-K32 CarbonylContact O-C 3.57Å; S29-K32 PolarHBondContact O-N 3.42Å; S29-K32 VanDerWaalsContact O-N 3.11Å; I30-K32 PolarHBondContact O-N 3.41Å; I30-K32 VanDerWaalsContact O-N 3.1Å; K32-S34 PolarHBondContact O-N 3.09Å; K32-S34 VanDerWaalsContact O-N 3.16Å; K32-T35 WeakPolarHBondContact O-CA 3.35Å; K32-T35 VanDerWaalsContact O-CB 3.25Å; K32-T35 WeakPolarHBondContact O-CB 3.44Å; K32-T35 PolarHBondContact O-N 2.86Å; K32-I36 PolarHBondContact O-N 3.42Å |
| 33 | I | 89.9 | Confident | 89.6 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.7 | -32.4 | -174.5 | -161.5 | 165.3 | 0 | 0 | 0 | 113.7 | S29 I30 I36 A37 L49 L53 L67 Q70 L74 | S29-I33 PolarHBondContact O-N 3.09Å; I30-I33 WeakPolarHBondContact O-CB 3.46Å; I30-I33 WeakPolarHBondContact O-CG2 3.46Å; I30-I33 PolarHBondContact O-N 2.98Å; I33-I36 PolarHBondContact O-N 3.17Å; I33-A37 WeakPolarHBondContact O-CB 3.38Å; I33-A37 PolarHBondContact O-N 2.97Å; I33-L49 HydrophobicContact CD1-CD1 4.48Å; I33-L49 HydrophobicContact CG1-CD1 4.46Å; I33-L49 HydrophobicContact CG1-CD2 4Å; I33-L53 HydrophobicContact CD1-CD1 3.27Å; I33-L53 HydrophobicContact CD1-CD2 3.46Å; I33-L53 VanDerWaalsContact CD1-CD2 3.46Å; I33-L53 HydrophobicContact CD1-CG 3.91Å; I33-L53 HydrophobicContact CG1-CD1 4.49Å; I33-L67 HydrophobicContact CD1-CD1 4.36Å; I33-Q70 HydrophobicContact CG2-CB 3.49Å; I33-Q70 VanDerWaalsContact CG2-CB 3.49Å; I33-Q70 HydrophobicContact CG2-CG 4.05Å; I33-L74 HydrophobicContact CG2-CD2 4.37Å |
| 34 | S | 90.9 | Very high | 89.8 | Confident | 25 Ų | 25 | 54.8 Ų | 54.8 | 18% | 0.175 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 173.8 | 54 | 0 | 0 | 0 | 0 | 112.3 | K32 I36 A37 L38 Y77 | K32-S34 PolarHBondContact O-N 3.09Å; K32-S34 VanDerWaalsContact O-N 3.16Å; S34-I36 VanDerWaalsContact C-N 3.28Å; S34-I36 PolarHBondContact O-N 2.91Å; S34-A37 PolarHBondContact O-N 3.31Å; S34-L38 WeakPolarHBondContact O-CB 3.49Å; S34-L38 PolarHBondContact O-N 3.12Å; S34-Y77 WeakPolarHBondContact O-CE1 3.45Å |
| 35 | T | 88.8 | Confident | 90 | Very high | 89 Ų | 89 | 48 Ų | 48 | 55% | 0.546 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.1 | -38.7 | 173.6 | -53.2 | 0 | 0 | 0 | 0 | 111.1 | K32 L38 A39 | K32-T35 WeakPolarHBondContact O-CA 3.35Å; K32-T35 VanDerWaalsContact O-CB 3.25Å; K32-T35 WeakPolarHBondContact O-CB 3.44Å; K32-T35 PolarHBondContact O-N 2.86Å; T35-L38 WeakPolarHBondContact O-CB 3.26Å; T35-L38 PolarHBondContact O-N 3.14Å; T35-A39 PolarHBondContact O-N 3.19Å; T35-A39 VanDerWaalsContact O-N 3.1Å |
| 36 | I | 85.9 | Confident | 90.4 | Very high | 24 Ų | 24 | 48.2 Ų | 48.2 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -74.6 | -44 | -178.9 | -60.1 | 170 | 0 | 0 | 0 | 110.6 | L14 K32 I33 S34 L38 A39 L40 | L14-I36 HydrophobicContact CB-CD1 3.99Å; L14-I36 HydrophobicContact CD1-CD1 3.37Å; L14-I36 HydrophobicContact CD2-CB 4.42Å; L14-I36 HydrophobicContact CD2-CD1 3.59Å; L14-I36 HydrophobicContact CD2-CG2 3.91Å; L14-I36 HydrophobicContact CG-CD1 3.78Å; K32-I36 PolarHBondContact O-N 3.42Å; I33-I36 PolarHBondContact O-N 3.17Å; S34-I36 VanDerWaalsContact C-N 3.28Å; S34-I36 PolarHBondContact O-N 2.91Å; I36-L38 PolarHBondContact O-N 3.42Å; I36-A39 PolarHBondContact O-N 3.5Å; I36-A39 VanDerWaalsContact O-N 3.08Å; I36-L40 HydrophobicContact CG2-CD1 3.97Å; I36-L40 HydrophobicContact CG2-CG 4.3Å; I36-L40 WeakPolarHBondContact O-CG 3.29Å; I36-L40 PolarHBondContact O-N 2.91Å |
| 37 | A | 91.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59 | -37 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I33 S34 G41 T45 L49 L74 Y77 | I33-A37 WeakPolarHBondContact O-CB 3.38Å; I33-A37 PolarHBondContact O-N 2.97Å; S34-A37 PolarHBondContact O-N 3.31Å; A37-G41 PolarHBondContact O-N 3.36Å; A37-T45 WeakPolarHBondContact CA-OG1 3.25Å; A37-T45 HydrophobicContact CB-CG2 3.88Å; A37-T45 PolarHBondContact O-OG1 2.95Å; A37-T45 VanDerWaalsContact O-OG1 3.09Å; A37-L49 HydrophobicContact CB-CD2 3.94Å; A37-L74 HydrophobicContact CB-CD2 4.1Å; A37-Y77 HydrophobicContact CB-CD1 4.23Å; A37-Y77 HydrophobicContact CB-CG 4.07Å |
| 38 | L | 90.5 | Very high | 90.7 | Very high | 122 Ų | 122 | 53.2 Ų | 53.2 | 64% | 0.639 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.8 | -44.1 | 172.9 | -172.1 | 61.6 | 0 | 0 | 0 | 112.4 | S34 T35 I36 Y77 | S34-L38 WeakPolarHBondContact O-CB 3.49Å; S34-L38 PolarHBondContact O-N 3.12Å; T35-L38 WeakPolarHBondContact O-CB 3.26Å; T35-L38 PolarHBondContact O-N 3.14Å; I36-L38 PolarHBondContact O-N 3.42Å; L38-Y77 HydrophobicContact CB-CD1 3.95Å; L38-Y77 HydrophobicContact CB-CE1 3.83Å; L38-Y77 HydrophobicContact CD1-CD1 4.29Å; L38-Y77 HydrophobicContact CD1-CE1 4.11Å; L38-Y77 HydrophobicContact CG-CE1 4.42Å |
| 39 | A | 88.1 | Confident | 90.8 | Very high | 74 Ų | 74 | 49.8 Ų | 49.8 | 61% | 0.612 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -69.7 | -37.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T35 I36 | T35-A39 PolarHBondContact O-N 3.19Å; T35-A39 VanDerWaalsContact O-N 3.1Å; I36-A39 PolarHBondContact O-N 3.5Å; I36-A39 VanDerWaalsContact O-N 3.08Å |
| 40 | L | 88.7 | Confident | 91.1 | Very high | 18 Ų | 18 | 50 Ų | 50 | 9% | 0.094 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.5 | -30 | 177.1 | -70.7 | 175.8 | 0 | 0 | 0 | 112.5 | I11 I36 K44 L49 | I11-L40 HydrophobicContact CB-CD1 4.47Å; I11-L40 HydrophobicContact CB-CD2 4.27Å; I11-L40 HydrophobicContact CD1-CD1 4.09Å; I11-L40 HydrophobicContact CG1-CD1 4.35Å; I36-L40 HydrophobicContact CG2-CD1 3.97Å; I36-L40 HydrophobicContact CG2-CG 4.3Å; I36-L40 WeakPolarHBondContact O-CG 3.29Å; I36-L40 PolarHBondContact O-N 2.91Å; L40-K44 HydrophobicContact CB-CB 3.94Å; L40-K44 HydrophobicContact CD2-CB 4.44Å; L40-K44 HydrophobicContact CD2-CD 4.34Å; L40-L49 HydrophobicContact CD1-CB 4.05Å; L40-L49 HydrophobicContact CD1-CD2 4.3Å |
| 41 | G | 92 | Very high | 91.3 | Very high | 20 Ų | 20 | 52.2 Ų | 52.2 | 21% | 0.206 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | 77 | 170.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A37 E43 T45 | A37-G41 PolarHBondContact O-N 3.36Å; G41-E43 PolarHBondContact O-N 2.85Å; G41-T45 VanDerWaalsContact O-CB 3.26Å; G41-T45 WeakPolarHBondContact O-CB 3.3Å; G41-T45 PolarHBondContact O-N 3.32Å; G41-T45 PolarHBondContact O-OG1 3Å |
| 42 | P | 94.9 | Very high | 91.2 | Very high | 62 Ų | 62 | 46.9 Ų | 46.9 | 40% | 0.403 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.2 | -41.8 | -169.5 | -29.6 | 37.5 | 0 | 0 | 0 | 116 | R46 Y77 | P42-R46 WeakPolarHBondContact O-CG 3.25Å; P42-R46 PolarHBondContact O-N 2.92Å; P42-R46 VanDerWaalsContact O-N 3.1Å; P42-Y77 VanDerWaalsContact CA-O 3.27Å; P42-Y77 WeakPolarHBondContact CA-O 3.32Å |
| 43 | E | 94.1 | Very high | 91.2 | Very high | 146 Ų | 146 | 42.5 Ų | 42.5 | 68% | 0.682 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -70.8 | -46.8 | -174.8 | -171.9 | 173.8 | -172 | 0 | 0 | 112.2 | G41 T45 R46 S47 | G41-E43 PolarHBondContact O-N 2.85Å; E43-T45 VanDerWaalsContact C-N 3.34Å; E43-R46 PolarHBondContact O-N 2.75Å; E43-S47 WeakPolarHBondContact O-CB 3.29Å; E43-S47 PolarHBondContact O-N 3.14Å; E43-S47 PolarHBondContact O-OG 3Å |
| 44 | K | 91.5 | Very high | 91.3 | Very high | 42 Ų | 42 | 44.1 Ų | 44.1 | 18% | 0.183 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.3 | -33.8 | 175.8 | -68.9 | -166 | -177.1 | -168.3 | 0 | 111.8 | E7 D8 L40 R46 S47 Q48 L49 | E7-K44 IonicContact OE2-NZ 2.73Å; E7-K44 PolarHBondContact OE2-NZ 2.95Å; D8-K44 IonicContact OD1-NZ 3.54Å; D8-K44 PolarHBondContact OD1-NZ 2.59Å; L40-K44 HydrophobicContact CB-CB 3.94Å; L40-K44 HydrophobicContact CD2-CB 4.44Å; L40-K44 HydrophobicContact CD2-CD 4.34Å; K44-R46 VanDerWaalsContact C-N 3.33Å; K44-R46 PolarHBondContact O-N 2.97Å; K44-S47 WeakPolarHBondContact CA-OG 3.41Å; K44-S47 PolarHBondContact O-N 3.24Å; K44-Q48 WeakPolarHBondContact O-CA 3.46Å; K44-Q48 WeakPolarHBondContact O-CB 3.39Å; K44-Q48 PolarHBondContact O-N 3.3Å; K44-L49 PolarHBondContact O-N 2.66Å |
| 45 | T | 94.1 | Very high | 91 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | I | π-helix | trans | -56.1 | -49.8 | 172.1 | -63.7 | 0 | 0 | 0 | 0 | 110.5 | A37 G41 E43 L49 I50 V78 | A37-T45 WeakPolarHBondContact CA-OG1 3.25Å; A37-T45 HydrophobicContact CB-CG2 3.88Å; A37-T45 PolarHBondContact O-OG1 2.95Å; A37-T45 VanDerWaalsContact O-OG1 3.09Å; G41-T45 VanDerWaalsContact O-CB 3.26Å; G41-T45 WeakPolarHBondContact O-CB 3.3Å; G41-T45 PolarHBondContact O-N 3.32Å; G41-T45 PolarHBondContact O-OG1 3Å; E43-T45 VanDerWaalsContact C-N 3.34Å; T45-L49 HydrophobicContact CG2-CD2 4.32Å; T45-L49 WeakPolarHBondContact O-CB 3.28Å; T45-L49 PolarHBondContact O-N 3.13Å; T45-I50 HydrophobicContact CG2-CG1 4.44Å; T45-I50 WeakPolarHBondContact O-CG1 3.12Å; T45-I50 PolarHBondContact O-N 3.19Å; T45-V78 HydrophobicContact CG2-CG1 3.88Å |
| 46 | R | 95.4 | Very high | 90.5 | Very high | 61 Ų | 61 | 46.7 Ų | 46.7 | 23% | 0.23 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -70.2 | -40.3 | 179.3 | -66.2 | -176.2 | -52.7 | -111.4 | 2.4 | 114.2 | P42 E43 K44 P51 V78 Y83 | P42-R46 WeakPolarHBondContact O-CG 3.25Å; P42-R46 PolarHBondContact O-N 2.92Å; P42-R46 VanDerWaalsContact O-N 3.1Å; E43-R46 PolarHBondContact O-N 2.75Å; K44-R46 VanDerWaalsContact C-N 3.33Å; K44-R46 PolarHBondContact O-N 2.97Å; R46-P51 VanDerWaalsContact O-CD 3.25Å; R46-P51 WeakPolarHBondContact O-CD 3.46Å; R46-V78 WeakPolarHBondContact CD-O 3.5Å; R46-V78 HydrophobicContact CG-CB 3.88Å; R46-V78 HydrophobicContact CG-CG1 4.08Å; R46-V78 PolarHBondContact NH1-O 2.66Å; R46-Y83 VanDerWaalsContact NH1-CG 3.34Å |
| 47 | S | 93.8 | Very high | 90.2 | Very high | 73 Ų | 73 | 46.5 Ų | 46.5 | 51% | 0.51 | 26% | 0.258 | S | S | . | . | I | π-helix | trans | -88.7 | -19.7 | -171.2 | 56.5 | 0 | 0 | 0 | 0 | 114.4 | E43 K44 | E43-S47 WeakPolarHBondContact O-CB 3.29Å; E43-S47 PolarHBondContact O-N 3.14Å; E43-S47 PolarHBondContact O-OG 3Å; K44-S47 WeakPolarHBondContact CA-OG 3.41Å; K44-S47 PolarHBondContact O-N 3.24Å |
| 48 | Q | 90.9 | Very high | 89.6 | Confident | 62 Ų | 62 | 56.4 Ų | 56.4 | 29% | 0.29 | 30% | 0.297 | S | S | . | . | I | π-helix | trans | -125.6 | -56.6 | -177.9 | -54.3 | -175 | 7 | 0 | 0 | 112.3 | I11 K44 P51 F52 | I11-Q48 HydrophobicContact CD1-CB 3.51Å; K44-Q48 WeakPolarHBondContact O-CA 3.46Å; K44-Q48 WeakPolarHBondContact O-CB 3.39Å; K44-Q48 PolarHBondContact O-N 3.3Å; Q48-P51 WeakPolarHBondContact O-CD 3.39Å; Q48-F52 WeakPolarHBondContact O-CB 3.42Å; Q48-F52 PolarHBondContact O-N 3.45Å |
| 49 | L | 91.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -64.2 | -51.3 | -173.6 | -178.7 | 59 | 0 | 0 | 0 | 111.5 | L14 I33 A37 L40 K44 T45 F52 L53 | L14-L49 HydrophobicContact CD2-CD1 3.6Å; I33-L49 HydrophobicContact CD1-CD1 4.48Å; I33-L49 HydrophobicContact CG1-CD1 4.46Å; I33-L49 HydrophobicContact CG1-CD2 4Å; A37-L49 HydrophobicContact CB-CD2 3.94Å; L40-L49 HydrophobicContact CD1-CB 4.05Å; L40-L49 HydrophobicContact CD1-CD2 4.3Å; K44-L49 PolarHBondContact O-N 2.66Å; T45-L49 HydrophobicContact CG2-CD2 4.32Å; T45-L49 WeakPolarHBondContact O-CB 3.28Å; T45-L49 PolarHBondContact O-N 3.13Å; L49-F52 WeakPolarHBondContact O-CB 3.27Å; L49-F52 PolarHBondContact O-N 2.7Å; L49-F52 VanDerWaalsContact O-N 3.16Å; L49-L53 HydrophobicContact CD1-CD2 4.28Å; L49-L53 HydrophobicContact CD1-CG 4.26Å; L49-L53 HydrophobicContact CG-CD1 4.33Å; L49-L53 HydrophobicContact CG-CG 4.45Å; L49-L53 WeakPolarHBondContact O-CG 3.45Å; L49-L53 PolarHBondContact O-N 2.81Å |
| 50 | I | 93.7 | Very high | 89.2 | Confident | 6 Ų | 6 | 52.9 Ų | 52.9 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.6 | -45.6 | -178 | -61.4 | -56.2 | 0 | 0 | 0 | 113.2 | T45 F52 L53 T54 L74 V78 S86 L87 P90 | T45-I50 HydrophobicContact CG2-CG1 4.44Å; T45-I50 WeakPolarHBondContact O-CG1 3.12Å; T45-I50 PolarHBondContact O-N 3.19Å; I50-F52 VanDerWaalsContact C-N 3.29Å; I50-F52 PolarHBondContact O-N 3.18Å; I50-L53 HydrophobicContact CD1-CD1 4.04Å; I50-L53 PolarHBondContact O-N 3.12Å; I50-T54 PolarHBondContact O-N 3.05Å; I50-T54 PolarHBondContact O-OG1 3.03Å; I50-L74 HydrophobicContact CD1-CD1 4.06Å; I50-V78 HydrophobicContact CG1-CG1 4.46Å; I50-S86 VanDerWaalsContact CG2-O 3.22Å; I50-S86 WeakPolarHBondContact CG2-O 3.35Å; I50-L87 HydrophobicContact CD1-CD2 3.49Å; I50-L87 VanDerWaalsContact CD1-CD2 3.49Å; I50-L87 HydrophobicContact CG1-CD2 4.1Å; I50-P90 HydrophobicContact CG2-CG 4Å |
| 51 | P | 92 | Very high | 89.4 | Confident | 52 Ų | 52 | 56 Ų | 56 | 34% | 0.338 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -55 | -44.1 | 171 | -29.7 | 36.8 | 0 | 0 | 0 | 112.8 | R46 Q48 L53 T54 E55 | R46-P51 VanDerWaalsContact O-CD 3.25Å; R46-P51 WeakPolarHBondContact O-CD 3.46Å; Q48-P51 WeakPolarHBondContact O-CD 3.39Å; P51-L53 PolarHBondContact O-N 3.23Å; P51-T54 WeakPolarHBondContact O-CB 3.25Å; P51-T54 PolarHBondContact O-N 3.37Å; P51-T54 VanDerWaalsContact O-N 3.12Å; P51-E55 PolarHBondContact O-N 2.94Å |
| 52 | F | 88.6 | Confident | 89.4 | Confident | 14 Ų | 14 | 60.5 Ų | 60.5 | 6% | 0.061 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.6 | -44 | 177.2 | 171.5 | -97.7 | 0 | 0 | 0 | 112.7 | I15 L18 Q48 L49 I50 T54 E55 T56 | I15-F52 HydrophobicContact CB-CE2 4.05Å; I15-F52 HydrophobicContact CB-CZ 4.12Å; I15-F52 HydrophobicContact CD1-CD2 4.07Å; I15-F52 HydrophobicContact CD1-CE2 4.32Å; I15-F52 HydrophobicContact CD1-CG 4.45Å; I15-F52 HydrophobicContact CG1-CD1 4.23Å; I15-F52 HydrophobicContact CG1-CD2 3.71Å; I15-F52 HydrophobicContact CG1-CE1 4.09Å; I15-F52 HydrophobicContact CG1-CE2 3.56Å; I15-F52 HydrophobicContact CG1-CG 4.04Å; I15-F52 HydrophobicContact CG1-CZ 3.75Å; I15-F52 HydrophobicContact CG2-CD2 4.48Å; I15-F52 HydrophobicContact CG2-CE2 3.75Å; I15-F52 HydrophobicContact CG2-CZ 4.17Å; L18-F52 HydrophobicContact CB-CE1 4.35Å; L18-F52 HydrophobicContact CB-CZ 4.18Å; L18-F52 HydrophobicContact CD1-CE1 3.61Å; L18-F52 HydrophobicContact CD1-CZ 4.28Å; Q48-F52 WeakPolarHBondContact O-CB 3.42Å; Q48-F52 PolarHBondContact O-N 3.45Å; L49-F52 WeakPolarHBondContact O-CB 3.27Å; L49-F52 PolarHBondContact O-N 2.7Å; L49-F52 VanDerWaalsContact O-N 3.16Å; I50-F52 VanDerWaalsContact C-N 3.29Å; I50-F52 PolarHBondContact O-N 3.18Å; F52-T54 VanDerWaalsContact C-N 3.27Å; F52-T54 PolarHBondContact O-N 3.46Å; F52-E55 PolarHBondContact O-N 3.29Å; F52-T56 WeakPolarHBondContact CZ-OG1 3.38Å; F52-T56 PolarHBondContact O-N 3.22Å; F52-T56 VanDerWaalsContact O-N 3.08Å; F52-T56 PolarHBondContact O-OG1 3.46Å |
| 53 | L | 90 | Very high | 89.2 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.1 | -34.5 | 175.3 | -59.3 | 174.6 | 0 | 0 | 0 | 112.3 | I33 L49 I50 P51 E55 T56 L67 I71 | I33-L53 HydrophobicContact CD1-CD1 3.27Å; I33-L53 HydrophobicContact CD1-CD2 3.46Å; I33-L53 VanDerWaalsContact CD1-CD2 3.46Å; I33-L53 HydrophobicContact CD1-CG 3.91Å; I33-L53 HydrophobicContact CG1-CD1 4.49Å; L49-L53 HydrophobicContact CD1-CD2 4.28Å; L49-L53 HydrophobicContact CD1-CG 4.26Å; L49-L53 HydrophobicContact CG-CD1 4.33Å; L49-L53 HydrophobicContact CG-CG 4.45Å; L49-L53 WeakPolarHBondContact O-CG 3.45Å; L49-L53 PolarHBondContact O-N 2.81Å; I50-L53 HydrophobicContact CD1-CD1 4.04Å; I50-L53 PolarHBondContact O-N 3.12Å; P51-L53 PolarHBondContact O-N 3.23Å; L53-E55 VanDerWaalsContact C-N 3.29Å; L53-E55 PolarHBondContact O-N 3.44Å; L53-T56 PolarHBondContact O-N 3.28Å; L53-L67 HydrophobicContact CB-CD1 4.39Å; L53-L67 HydrophobicContact CD1-CD1 4.17Å; L53-L67 HydrophobicContact CD2-CD1 3.85Å; L53-L67 HydrophobicContact CG-CD1 4.32Å; L53-I71 HydrophobicContact CD1-CG1 4.16Å |
| 54 | T | 90 | Very high | 89.3 | Confident | 34 Ų | 34 | 50.9 Ų | 50.9 | 21% | 0.209 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.7 | -33.1 | 177.2 | -50.4 | 0 | 0 | 0 | 0 | 111.3 | I50 P51 F52 I57 P89 P90 | I50-T54 PolarHBondContact O-N 3.05Å; I50-T54 PolarHBondContact O-OG1 3.03Å; P51-T54 WeakPolarHBondContact O-CB 3.25Å; P51-T54 PolarHBondContact O-N 3.37Å; P51-T54 VanDerWaalsContact O-N 3.12Å; F52-T54 VanDerWaalsContact C-N 3.27Å; F52-T54 PolarHBondContact O-N 3.46Å; T54-I57 WeakPolarHBondContact O-CG1 3.35Å; T54-I57 WeakPolarHBondContact O-CG2 3.34Å; T54-P89 HydrophobicContact CG2-CB 4.33Å; T54-P90 WeakPolarHBondContact OG1-CD 3.47Å |
| 55 | E | 84.9 | Confident | 89.4 | Confident | 140 Ų | 140 | 51.2 Ų | 51.2 | 65% | 0.654 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -78.4 | -22.3 | 174.9 | -68.7 | 178.1 | -176.8 | 0 | 0 | 113.1 | P51 F52 L53 I57 | P51-E55 PolarHBondContact O-N 2.94Å; F52-E55 PolarHBondContact O-N 3.29Å; L53-E55 VanDerWaalsContact C-N 3.29Å; L53-E55 PolarHBondContact O-N 3.44Å; E55-I57 VanDerWaalsContact C-N 3.33Å; E55-I57 PolarHBondContact O-N 3.07Å |
| 56 | T | 79.9 | Confident | 89.4 | Confident | 29 Ų | 29 | 52 Ų | 52 | 18% | 0.178 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 16 | -175.8 | -46.8 | 0 | 0 | 0 | 0 | 113 | F52 L53 Y58 | F52-T56 WeakPolarHBondContact CZ-OG1 3.38Å; F52-T56 PolarHBondContact O-N 3.22Å; F52-T56 VanDerWaalsContact O-N 3.08Å; F52-T56 PolarHBondContact O-OG1 3.46Å; L53-T56 PolarHBondContact O-N 3.28Å; T56-Y58 PolarHBondContact O-N 3.2Å |
| 57 | I | 78.1 | Confident | 89.3 | Confident | 19 Ų | 19 | 49.3 Ų | 49.3 | 10% | 0.097 | 25% | 0.247 | C | C | . | . | trans | -71.3 | 6.3 | 179.9 | 60.5 | 173.6 | 0 | 0 | 0 | 114.8 | T54 E55 S93 L94 | T54-I57 WeakPolarHBondContact O-CG1 3.35Å; T54-I57 WeakPolarHBondContact O-CG2 3.34Å; E55-I57 VanDerWaalsContact C-N 3.33Å; E55-I57 PolarHBondContact O-N 3.07Å; I57-S93 VanDerWaalsContact CD1-CB 3.45Å; I57-L94 HydrophobicContact CG2-CD2 4.47Å; I57-L94 HydrophobicContact CG2-CG 4.42Å | ||
| 58 | Y | 79 | Confident | 89.4 | Confident | 208 Ų | 208 | 45.8 Ų | 45.8 | 82% | 0.816 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -113.8 | 59.1 | -178.6 | -56.8 | -80.1 | 0 | 0 | 0 | 110.4 | T56 | T56-Y58 PolarHBondContact O-N 3.2Š|
| 59 | D | 82.9 | Confident | 89.5 | Confident | 33 Ų | 33 | 47.2 Ų | 47.2 | 18% | 0.176 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -125 | -177 | -179 | -151.7 | -35.5 | 0 | 0 | 0 | 110.2 | R26 V63 L64 | R26-D59 WeakPolarHBondContact CD-OD2 3.34Å; R26-D59 IonicContact CZ-OD1 2.97Å; R26-D59 VanDerWaalsContact CZ-OD1 3.25Å; R26-D59 IonicContact CZ-OD2 3.25Å; R26-D59 IonicContact NE-OD1 2.79Å; R26-D59 PolarHBondContact NE-OD1 2.88Å; R26-D59 IonicContact NE-OD2 2.79Å; R26-D59 PolarHBondContact NE-OD2 3.31Å; R26-D59 IonicContact NH2-OD1 3.92Å; R26-D59 PolarHBondContact NH2-OD1 3.44Å; D59-V63 HydrophobicContact CB-CB 4.24Å; D59-V63 HydrophobicContact CB-CG1 4.14Å; D59-L64 HydrophobicContact CB-CD2 4.08Å; D59-L64 HydrophobicContact CB-CG 4.48Å; D59-L64 WeakPolarHBondContact O-CD1 3.37Å |
| 60 | E | 88.2 | Confident | 89.7 | Confident | 90 Ų | 90 | 48.7 Ų | 48.7 | 42% | 0.421 | 24% | 0.236 | S | C | . | . | trans | -64 | 146.4 | 175.9 | -67 | 178.5 | -138.6 | 0 | 0 | 112 | L23 R26 E62 V63 L64 | L23-E60 HydrophobicContact CD1-CB 4.3Å; L23-E60 WeakPolarHBondContact CD1-OE2 3.28Å; L23-E60 WeakPolarHBondContact CD2-OE2 3.36Å; R26-E60 IonicContact CZ-OE1 2.81Å; R26-E60 VanDerWaalsContact NH2-CD 3.34Å; R26-E60 IonicContact NH2-OE1 3.38Å; R26-E60 PolarHBondContact NH2-OE1 3.35Å; E60-E62 VanDerWaalsContact C-N 3.25Å; E60-E62 PolarHBondContact O-N 3.14Å; E60-E62 VanDerWaalsContact O-N 3.14Å; E60-V63 HydrophobicContact CB-CG2 4.23Å; E60-V63 WeakPolarHBondContact O-CA 3.21Å; E60-V63 VanDerWaalsContact O-CB 3.28Å; E60-V63 WeakPolarHBondContact O-CB 3.34Å; E60-V63 PolarHBondContact O-N 3.14Å; E60-L64 PolarHBondContact O-N 2.73Å | ||
| 61 | D | 92.3 | Very high | 89.8 | Confident | 83 Ų | 83 | 48.4 Ų | 48.4 | 44% | 0.444 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.1 | -34.7 | -172 | -63.6 | -38.1 | 0 | 0 | 0 | 113.4 | V63 L64 L65 E99 V102 | D61-V63 VanDerWaalsContact C-N 3.31Å; D61-V63 PolarHBondContact O-N 3.41Å; D61-L64 PolarHBondContact O-N 3.1Å; D61-L65 VanDerWaalsContact O-CB 3.29Å; D61-L65 WeakPolarHBondContact O-CB 3.32Å; D61-L65 PolarHBondContact O-N 3.33Å; D61-E99 HydrophobicContact CB-CG 4.03Å; D61-E99 WeakPolarHBondContact OD1-CB 3.16Å; D61-V102 HydrophobicContact CB-CG2 4.42Å; D61-V102 WeakPolarHBondContact O-CG2 3.34Å |
| 62 | E | 92.1 | Very high | 89.7 | Confident | 115 Ų | 115 | 46.9 Ų | 46.9 | 54% | 0.537 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.3 | -38.2 | 175.9 | -62.9 | -171 | -176.7 | 0 | 0 | 112.3 | L27 E60 T66 | L27-E62 HydrophobicContact CD1-CB 4.48Å; L27-E62 HydrophobicContact CD2-CB 4.24Å; L27-E62 WeakPolarHBondContact CD2-O 3.33Å; E60-E62 VanDerWaalsContact C-N 3.25Å; E60-E62 PolarHBondContact O-N 3.14Å; E60-E62 VanDerWaalsContact O-N 3.14Å; E62-T66 PolarHBondContact O-N 3.26Å; E62-T66 VanDerWaalsContact O-N 3.15Å; E62-T66 PolarHBondContact O-OG1 3.25Å |
| 63 | V | 91.5 | Very high | 89.9 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.1 | -47.4 | 178.1 | -176.8 | 0 | 0 | 0 | 0 | 109.1 | L23 R26 L27 I30 D59 E60 D61 L65 T66 L67 | L23-V63 HydrophobicContact CD1-CG2 3.39Å; R26-V63 HydrophobicContact CB-CG2 4.33Å; L27-V63 HydrophobicContact CD2-CG2 4.15Å; L27-V63 HydrophobicContact CG-CG2 4.24Å; I30-V63 HydrophobicContact CD1-CB 4.39Å; I30-V63 HydrophobicContact CD1-CG1 3.16Å; I30-V63 HydrophobicContact CG1-CG1 4.28Å; D59-V63 HydrophobicContact CB-CB 4.24Å; D59-V63 HydrophobicContact CB-CG1 4.14Å; E60-V63 HydrophobicContact CB-CG2 4.23Å; E60-V63 WeakPolarHBondContact O-CA 3.21Å; E60-V63 VanDerWaalsContact O-CB 3.28Å; E60-V63 WeakPolarHBondContact O-CB 3.34Å; E60-V63 PolarHBondContact O-N 3.14Å; D61-V63 VanDerWaalsContact C-N 3.31Å; D61-V63 PolarHBondContact O-N 3.41Å; V63-L65 PolarHBondContact O-N 2.87Å; V63-T66 PolarHBondContact O-N 3.36Å; V63-L67 VanDerWaalsContact O-CB 3.29Å; V63-L67 WeakPolarHBondContact O-CB 3.47Å; V63-L67 PolarHBondContact O-N 3.1Å |
| 64 | L | 94.2 | Very high | 90.2 | Very high | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.8 | -38.4 | 178.7 | -59.7 | -177 | 0 | 0 | 0 | 112.7 | D59 E60 D61 L67 A68 L94 V102 | D59-L64 HydrophobicContact CB-CD2 4.08Å; D59-L64 HydrophobicContact CB-CG 4.48Å; D59-L64 WeakPolarHBondContact O-CD1 3.37Å; E60-L64 PolarHBondContact O-N 2.73Å; D61-L64 PolarHBondContact O-N 3.1Å; L64-L67 WeakPolarHBondContact O-CB 3.48Å; L64-L67 PolarHBondContact O-N 3.12Å; L64-A68 WeakPolarHBondContact O-CB 3.33Å; L64-A68 PolarHBondContact O-N 3.4Å; L64-L94 HydrophobicContact CB-CD2 3.99Å; L64-L94 HydrophobicContact CD2-CD2 4.03Å; L64-L94 HydrophobicContact CG-CD2 4.46Å; L64-V102 HydrophobicContact CB-CG1 3.73Å; L64-V102 HydrophobicContact CB-CG2 4.01Å |
| 65 | L | 94.6 | Very high | 90.4 | Very high | 49 Ų | 49 | 48.4 Ų | 48.4 | 26% | 0.257 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.1 | -47.8 | 175.9 | 176.9 | 61.8 | 0 | 0 | 0 | 111.1 | D61 V63 L67 A68 E69 V101 V102 R105 | D61-L65 VanDerWaalsContact O-CB 3.29Å; D61-L65 WeakPolarHBondContact O-CB 3.32Å; D61-L65 PolarHBondContact O-N 3.33Å; V63-L65 PolarHBondContact O-N 2.87Å; L65-L67 VanDerWaalsContact C-N 3.3Å; L65-L67 PolarHBondContact O-N 3.16Å; L65-A68 PolarHBondContact O-N 3.32Å; L65-E69 PolarHBondContact O-N 3.08Å; L65-V101 HydrophobicContact CD2-CG2 4.47Å; L65-V102 HydrophobicContact CB-CG2 4.09Å; L65-R105 HydrophobicContact CD1-CB 3.7Å; L65-R105 HydrophobicContact CD1-CG 3.97Å |
| 66 | T | 93.3 | Very high | 90.9 | Very high | 17 Ų | 17 | 46.1 Ų | 46.1 | 10% | 0.104 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.8 | -39.8 | 176.8 | -53.4 | 0 | 0 | 0 | 0 | 110.3 | I30 R31 E62 V63 E69 Q70 | I30-T66 HydrophobicContact CB-CG2 4.33Å; I30-T66 HydrophobicContact CG2-CG2 3.75Å; R31-T66 HydrophobicContact CG-CG2 3.85Å; E62-T66 PolarHBondContact O-N 3.26Å; E62-T66 VanDerWaalsContact O-N 3.15Å; E62-T66 PolarHBondContact O-OG1 3.25Å; V63-T66 PolarHBondContact O-N 3.36Å; T66-E69 WeakPolarHBondContact O-CB 3.26Å; T66-E69 PolarHBondContact O-N 3.28Å; T66-Q70 HydrophobicContact CG2-CG 4.34Å; T66-Q70 VanDerWaalsContact O-CG 3.31Å; T66-Q70 WeakPolarHBondContact O-CG 3.44Å; T66-Q70 PolarHBondContact O-N 3.45Å |
| 67 | L | 93.7 | Very high | 91.7 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.4 | -47.3 | 177.8 | -176.2 | 58.3 | 0 | 0 | 0 | 111.9 | I30 I33 L53 V63 L64 L65 E69 Q70 I71 L94 | I30-L67 HydrophobicContact CD1-CB 4Å; I30-L67 HydrophobicContact CD1-CD1 4.32Å; I30-L67 HydrophobicContact CG2-CB 4.24Å; I30-L67 HydrophobicContact CG2-CD1 4.3Å; I33-L67 HydrophobicContact CD1-CD1 4.36Å; L53-L67 HydrophobicContact CB-CD1 4.39Å; L53-L67 HydrophobicContact CD1-CD1 4.17Å; L53-L67 HydrophobicContact CD2-CD1 3.85Å; L53-L67 HydrophobicContact CG-CD1 4.32Å; V63-L67 VanDerWaalsContact O-CB 3.29Å; V63-L67 WeakPolarHBondContact O-CB 3.47Å; V63-L67 PolarHBondContact O-N 3.1Å; L64-L67 WeakPolarHBondContact O-CB 3.48Å; L64-L67 PolarHBondContact O-N 3.12Å; L65-L67 VanDerWaalsContact C-N 3.3Å; L65-L67 PolarHBondContact O-N 3.16Å; L67-E69 VanDerWaalsContact C-N 3.27Å; L67-E69 PolarHBondContact O-N 3.28Å; L67-Q70 PolarHBondContact O-N 3.3Å; L67-I71 HydrophobicContact CD1-CD1 3.77Å; L67-I71 HydrophobicContact CD1-CG1 3.97Å; L67-I71 HydrophobicContact CD2-CD1 4.42Å; L67-I71 HydrophobicContact CG-CD1 3.67Å; L67-I71 HydrophobicContact CG-CG1 4.32Å; L67-I71 VanDerWaalsContact O-CG1 3.27Å; L67-I71 WeakPolarHBondContact O-CG1 3.34Å; L67-I71 PolarHBondContact O-N 2.85Å; L67-L94 HydrophobicContact CD2-CD1 4.3Å; L67-L94 HydrophobicContact CG-CD1 4.15Å |
| 68 | A | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.9 | -40.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | L64 L65 L94 R105 A106 | L64-A68 WeakPolarHBondContact O-CB 3.33Å; L64-A68 PolarHBondContact O-N 3.4Å; L65-A68 PolarHBondContact O-N 3.32Å; A68-L94 HydrophobicContact CB-CD1 4Å; A68-R105 HydrophobicContact CB-CB 4.3Å; A68-R105 HydrophobicContact CB-CG 3.91Å; A68-A106 HydrophobicContact CB-CB 4.17Å |
| 69 | E | 94.7 | Very high | 93.3 | Very high | 92 Ų | 92 | 38.9 Ų | 38.9 | 43% | 0.43 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.7 | -52.5 | 174.6 | -165.5 | 173.3 | 168.2 | 0 | 0 | 111.9 | L65 T66 L67 G72 R105 | L65-E69 PolarHBondContact O-N 3.08Å; T66-E69 WeakPolarHBondContact O-CB 3.26Å; T66-E69 PolarHBondContact O-N 3.28Å; L67-E69 VanDerWaalsContact C-N 3.27Å; L67-E69 PolarHBondContact O-N 3.28Å; E69-G72 PolarHBondContact O-N 3.44Å; E69-R105 IonicContact OE1-NH1 3.26Å; E69-R105 IonicContact OE2-CZ 2.74Å; E69-R105 IonicContact OE2-NH1 3.7Å; E69-R105 PolarHBondContact OE2-NH1 3.28Å |
| 70 | Q | 94.6 | Very high | 93.8 | Very high | 31 Ų | 31 | 37.9 Ų | 37.9 | 15% | 0.145 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.3 | -40.2 | -172.3 | -66.7 | -58.6 | -51.3 | 0 | 0 | 111.8 | I30 I33 T66 L67 G72 T73 | I30-Q70 HydrophobicContact CG2-CB 4.49Å; I30-Q70 HydrophobicContact CG2-CG 4.11Å; I33-Q70 HydrophobicContact CG2-CB 3.49Å; I33-Q70 VanDerWaalsContact CG2-CB 3.49Å; I33-Q70 HydrophobicContact CG2-CG 4.05Å; T66-Q70 HydrophobicContact CG2-CG 4.34Å; T66-Q70 VanDerWaalsContact O-CG 3.31Å; T66-Q70 WeakPolarHBondContact O-CG 3.44Å; T66-Q70 PolarHBondContact O-N 3.45Å; L67-Q70 PolarHBondContact O-N 3.3Å; Q70-G72 PolarHBondContact O-N 3.23Å; Q70-T73 PolarHBondContact O-N 3.22Å; Q70-T73 PolarHBondContact O-OG1 3Å |
| 71 | I | 94.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.9 | -39.6 | 177.6 | -67.4 | 163.7 | 0 | 0 | 0 | 111.1 | L53 L67 T73 L74 L87 P90 L91 L94 | L53-I71 HydrophobicContact CD1-CG1 4.16Å; L67-I71 HydrophobicContact CD1-CD1 3.77Å; L67-I71 HydrophobicContact CD1-CG1 3.97Å; L67-I71 HydrophobicContact CD2-CD1 4.42Å; L67-I71 HydrophobicContact CG-CD1 3.67Å; L67-I71 HydrophobicContact CG-CG1 4.32Å; L67-I71 VanDerWaalsContact O-CG1 3.27Å; L67-I71 WeakPolarHBondContact O-CG1 3.34Å; L67-I71 PolarHBondContact O-N 2.85Å; I71-T73 PolarHBondContact O-N 3.33Å; I71-T73 VanDerWaalsContact O-N 3.08Å; I71-L74 PolarHBondContact O-N 3.35Å; I71-L74 VanDerWaalsContact O-N 3.1Å; I71-L87 HydrophobicContact CG2-CB 4.1Å; I71-L87 HydrophobicContact CG2-CD2 4.2Å; I71-P90 HydrophobicContact CD1-CB 3.78Å; I71-P90 HydrophobicContact CD1-CG 4.01Å; I71-P90 HydrophobicContact CG2-CG 4.21Å; I71-L91 HydrophobicContact CB-CD2 4.05Å; I71-L91 HydrophobicContact CB-CG 4.3Å; I71-L91 HydrophobicContact CG2-CD1 3.95Å; I71-L91 HydrophobicContact CG2-CD2 3.96Å; I71-L91 HydrophobicContact CG2-CG 3.64Å; I71-L94 HydrophobicContact CD1-CD1 3.79Å |
| 72 | G | 90.3 | Very high | 93.9 | Very high | 19 Ų | 19 | 40 Ų | 40 | 20% | 0.196 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -19.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | E69 Q70 | E69-G72 PolarHBondContact O-N 3.44Å; Q70-G72 PolarHBondContact O-N 3.23Å |
| 73 | T | 93.7 | Very high | 94.1 | Very high | 69 Ų | 69 | 38.4 Ų | 38.4 | 42% | 0.423 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -4.1 | -179.9 | 72.9 | 0 | 0 | 0 | 0 | 113.9 | Q70 I71 V75 P76 | Q70-T73 PolarHBondContact O-N 3.22Å; Q70-T73 PolarHBondContact O-OG1 3Å; I71-T73 PolarHBondContact O-N 3.33Å; I71-T73 VanDerWaalsContact O-N 3.08Å; T73-V75 VanDerWaalsContact C-N 3.31Å; T73-V75 PolarHBondContact O-N 3.45Å; T73-P76 WeakPolarHBondContact O-CD 3.32Å |
| 74 | L | 95.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -82.5 | 2.2 | -169.3 | -69.8 | -178.5 | 0 | 0 | 0 | 115.4 | I33 A37 I50 I71 Y77 V78 L87 | I33-L74 HydrophobicContact CG2-CD2 4.37Å; A37-L74 HydrophobicContact CB-CD2 4.1Å; I50-L74 HydrophobicContact CD1-CD1 4.06Å; I71-L74 PolarHBondContact O-N 3.35Å; I71-L74 VanDerWaalsContact O-N 3.1Å; L74-Y77 HydrophobicContact CD2-CD2 3.88Å; L74-Y77 HydrophobicContact CD2-CG 4.28Å; L74-Y77 WeakPolarHBondContact O-CA 3.28Å; L74-Y77 PolarHBondContact O-N 3.46Å; L74-V78 PolarHBondContact O-N 2.97Å; L74-L87 HydrophobicContact CB-CD1 4.1Å; L74-L87 HydrophobicContact CB-CD2 3.83Å; L74-L87 HydrophobicContact CD1-CD2 4.46Å | ||
| 75 | V | 95.6 | Very high | 94.3 | Very high | 14 Ų | 14 | 40.3 Ų | 40.3 | 9% | 0.085 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -47.3 | -178.5 | -179.2 | 0 | 0 | 0 | 0 | 113.1 | T73 Y77 V78 G80 P81 A84 L87 L113 | T73-V75 VanDerWaalsContact C-N 3.31Å; T73-V75 PolarHBondContact O-N 3.45Å; V75-Y77 PolarHBondContact O-N 3.23Å; V75-V78 VanDerWaalsContact O-CG2 3.26Å; V75-V78 WeakPolarHBondContact O-CG2 3.24Å; V75-V78 PolarHBondContact O-N 3.16Å; V75-G80 VanDerWaalsContact O-CA 3.3Å; V75-G80 WeakPolarHBondContact O-CA 3.32Å; V75-G80 PolarHBondContact O-N 3.18Å; V75-P81 HydrophobicContact CG1-CG 4.34Å; V75-A84 HydrophobicContact CG1-CB 4.46Å; V75-A84 HydrophobicContact CG2-CB 4.47Å; V75-L87 HydrophobicContact CG2-CD1 3.99Å; V75-L113 HydrophobicContact CG2-CD2 3.14Å |
| 76 | P | 95.3 | Very high | 94.3 | Very high | 92 Ų | 92 | 39 Ų | 39 | 60% | 0.597 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -31.5 | 178.2 | -21.1 | 34.8 | 0 | 0 | 0 | 112.8 | T73 G79 | T73-P76 WeakPolarHBondContact O-CD 3.32Å; P76-G79 PolarHBondContact O-N 2.97Å |
| 77 | Y | 95.6 | Very high | 94.5 | Very high | 66 Ų | 66 | 38.1 Ų | 38.1 | 26% | 0.259 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -20.6 | -173.2 | -55.2 | -87.6 | 0 | 0 | 0 | 113.2 | S34 A37 L38 P42 L74 V75 G79 | S34-Y77 WeakPolarHBondContact O-CE1 3.45Å; A37-Y77 HydrophobicContact CB-CD1 4.23Å; A37-Y77 HydrophobicContact CB-CG 4.07Å; L38-Y77 HydrophobicContact CB-CD1 3.95Å; L38-Y77 HydrophobicContact CB-CE1 3.83Å; L38-Y77 HydrophobicContact CD1-CD1 4.29Å; L38-Y77 HydrophobicContact CD1-CE1 4.11Å; L38-Y77 HydrophobicContact CG-CE1 4.42Å; P42-Y77 VanDerWaalsContact CA-O 3.27Å; P42-Y77 WeakPolarHBondContact CA-O 3.32Å; L74-Y77 HydrophobicContact CD2-CD2 3.88Å; L74-Y77 HydrophobicContact CD2-CG 4.28Å; L74-Y77 WeakPolarHBondContact O-CA 3.28Å; L74-Y77 PolarHBondContact O-N 3.46Å; V75-Y77 PolarHBondContact O-N 3.23Å; Y77-G79 PolarHBondContact O-N 3.3Å |
| 78 | V | 96 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 5 | 168.3 | -63 | 0 | 0 | 0 | 0 | 112.8 | T45 R46 I50 L74 V75 Y83 L87 | T45-V78 HydrophobicContact CG2-CG1 3.88Å; R46-V78 WeakPolarHBondContact CD-O 3.5Å; R46-V78 HydrophobicContact CG-CB 3.88Å; R46-V78 HydrophobicContact CG-CG1 4.08Å; R46-V78 PolarHBondContact NH1-O 2.66Å; I50-V78 HydrophobicContact CG1-CG1 4.46Å; L74-V78 PolarHBondContact O-N 2.97Å; V75-V78 VanDerWaalsContact O-CG2 3.26Å; V75-V78 WeakPolarHBondContact O-CG2 3.24Å; V75-V78 PolarHBondContact O-N 3.16Å; V78-Y83 WeakPolarHBondContact O-CB 3.46Å; V78-L87 HydrophobicContact CG1-CD2 3.61Å; V78-L87 HydrophobicContact CG1-CG 4.13Å; V78-L87 HydrophobicContact CG2-CD1 4.27Å; V78-L87 HydrophobicContact CG2-CG 4.37Å |
| 79 | G | 94.2 | Very high | 94.7 | Very high | 37 Ų | 37 | 41.1 Ų | 41.1 | 38% | 0.381 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 96.8 | 15.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | P76 Y77 | P76-G79 PolarHBondContact O-N 2.97Å; Y77-G79 PolarHBondContact O-N 3.3Å |
| 80 | G | 93.3 | Very high | 94.7 | Very high | 13 Ų | 13 | 36.7 Ų | 36.7 | 13% | 0.134 | 21% | 0.212 | C | C | . | . | S | Bend | trans | 100.9 | -175.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | V75 E82 Y83 A84 | V75-G80 VanDerWaalsContact O-CA 3.3Å; V75-G80 WeakPolarHBondContact O-CA 3.32Å; V75-G80 PolarHBondContact O-N 3.18Å; G80-E82 VanDerWaalsContact C-N 3.29Å; G80-E82 PolarHBondContact O-N 3.32Å; G80-Y83 PolarHBondContact O-N 3.49Å; G80-A84 PolarHBondContact O-N 2.81Å |
| 81 | P | 92.3 | Very high | 94.8 | Very high | 71 Ų | 71 | 35.2 Ų | 35.2 | 46% | 0.461 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -57 | -34.1 | -172.1 | -28 | 36.3 | 0 | 0 | 0 | 114.9 | V75 Y83 A84 D116 | V75-P81 HydrophobicContact CG1-CG 4.34Å; P81-Y83 PolarHBondContact O-N 3.24Å; P81-Y83 VanDerWaalsContact O-N 3.13Å; P81-A84 VanDerWaalsContact O-CB 3.25Å; P81-A84 WeakPolarHBondContact O-CB 3.37Å; P81-A84 PolarHBondContact O-N 3.12Å; P81-D116 HydrophobicContact CB-CB 4.1Å; P81-D116 VanDerWaalsContact CB-O 3.3Å; P81-D116 WeakPolarHBondContact CB-O 3.4Å |
| 82 | E | 92 | Very high | 95 | Very high | 147 Ų | 147 | 36.6 Ų | 36.6 | 69% | 0.687 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -55.9 | -32.5 | 176.7 | -171.4 | -178.4 | 175.5 | 0 | 0 | 112.4 | G80 H85 | G80-E82 VanDerWaalsContact C-N 3.29Å; G80-E82 PolarHBondContact O-N 3.32Å; E82-H85 PolarHBondContact O-CE1 3.04Å; E82-H85 PolarHBondContact O-ND1 3.38Å |
| 83 | Y | 94.7 | Very high | 95.2 | Very high | 80 Ų | 80 | 37.4 Ų | 37.4 | 31% | 0.314 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -102.4 | 5.3 | 180 | -61.6 | -74.5 | 0 | 0 | 0 | 113.7 | R46 V78 G80 P81 H85 S86 | R46-Y83 VanDerWaalsContact NH1-CG 3.34Å; V78-Y83 WeakPolarHBondContact O-CB 3.46Å; G80-Y83 PolarHBondContact O-N 3.49Å; P81-Y83 PolarHBondContact O-N 3.24Å; P81-Y83 VanDerWaalsContact O-N 3.13Å; Y83-H85 PolarHBondContact O-N 3.15Å; Y83-S86 PolarHBondContact O-N 3.11Å; Y83-S86 PolarHBondContact O-OG 3.26Å |
| 84 | A | 94.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -56.4 | -28.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V75 G80 P81 S86 L87 D116 | V75-A84 HydrophobicContact CG1-CB 4.46Å; V75-A84 HydrophobicContact CG2-CB 4.47Å; G80-A84 PolarHBondContact O-N 2.81Å; P81-A84 VanDerWaalsContact O-CB 3.25Å; P81-A84 WeakPolarHBondContact O-CB 3.37Å; P81-A84 PolarHBondContact O-N 3.12Å; A84-S86 PolarHBondContact O-N 3.49Å; A84-S86 VanDerWaalsContact O-N 3.14Å; A84-L87 WeakPolarHBondContact O-CB 3.45Å; A84-L87 PolarHBondContact O-N 2.89Å; A84-D116 HydrophobicContact CB-CB 4.14Å |
| 85 | H | 95.2 | Very high | 95.4 | Very high | 46 Ų | 46 | 34.1 Ų | 34.1 | 21% | 0.213 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -59.4 | -23.7 | 176.8 | 69.4 | -87.7 | 0 | 0 | 0 | 113.8 | E82 Y83 L87 L88 H117 Y125 | E82-H85 PolarHBondContact O-CE1 3.04Å; E82-H85 PolarHBondContact O-ND1 3.38Å; Y83-H85 PolarHBondContact O-N 3.15Å; H85-L87 PolarHBondContact O-N 2.93Å; H85-L88 HydrophobicContact CB-CD1 4.33Å; H85-L88 WeakPolarHBondContact O-CB 3.48Å; H85-L88 WeakPolarHBondContact O-CG 3.48Å; H85-L88 PolarHBondContact O-N 3.24Å; H85-H117 VanDerWaalsContact CA-NE2 3.28Å; H85-H117 WeakPolarHBondContact CA-NE2 3.43Å; H85-H117 PolarHBondContact N-NE2 3.24Å; H85-Y125 HydrophobicContact CB-CD1 4.3Å; H85-Y125 HydrophobicContact CB-CD2 3.64Å; H85-Y125 HydrophobicContact CB-CE2 4.22Å; H85-Y125 HydrophobicContact CB-CG 3.69Å; H85-Y125 AromaticContact CD2-CD1 3.92Å; H85-Y125 AromaticContact CD2-CE1 3.69Å; H85-Y125 AromaticContact CD2-CE2 3.9Å; H85-Y125 AromaticContact CD2-CZ 3.68Å; H85-Y125 AromaticContact CG-CD2 3.79Å; H85-Y125 AromaticContact CG-CE2 3.84Å; H85-Y125 AromaticContact NE2-CZ 3.87Å |
| 86 | S | 95.8 | Very high | 95.4 | Very high | 21 Ų | 21 | 35.2 Ų | 35.2 | 15% | 0.147 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -67.5 | -21.3 | 175.9 | 67.4 | 0 | 0 | 0 | 0 | 112.6 | I50 Y83 A84 L88 P89 | I50-S86 VanDerWaalsContact CG2-O 3.22Å; I50-S86 WeakPolarHBondContact CG2-O 3.35Å; Y83-S86 PolarHBondContact O-N 3.11Å; Y83-S86 PolarHBondContact O-OG 3.26Å; A84-S86 PolarHBondContact O-N 3.49Å; A84-S86 VanDerWaalsContact O-N 3.14Å; S86-L88 VanDerWaalsContact C-N 3.35Å; S86-P89 WeakPolarHBondContact O-CD 3.46Å |
| 87 | L | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -83.3 | -10.7 | 179.8 | -57.8 | 175.6 | 0 | 0 | 0 | 113.2 | I50 I71 L74 V75 V78 A84 H85 P90 L113 | I50-L87 HydrophobicContact CD1-CD2 3.49Å; I50-L87 VanDerWaalsContact CD1-CD2 3.49Å; I50-L87 HydrophobicContact CG1-CD2 4.1Å; I71-L87 HydrophobicContact CG2-CB 4.1Å; I71-L87 HydrophobicContact CG2-CD2 4.2Å; L74-L87 HydrophobicContact CB-CD1 4.1Å; L74-L87 HydrophobicContact CB-CD2 3.83Å; L74-L87 HydrophobicContact CD1-CD2 4.46Å; V75-L87 HydrophobicContact CG2-CD1 3.99Å; V78-L87 HydrophobicContact CG1-CD2 3.61Å; V78-L87 HydrophobicContact CG1-CG 4.13Å; V78-L87 HydrophobicContact CG2-CD1 4.27Å; V78-L87 HydrophobicContact CG2-CG 4.37Å; A84-L87 WeakPolarHBondContact O-CB 3.45Å; A84-L87 PolarHBondContact O-N 2.89Å; H85-L87 PolarHBondContact O-N 2.93Å; L87-P90 WeakPolarHBondContact O-CD 3.37Å; L87-P90 WeakPolarHBondContact O-CG 3.24Å; L87-L113 HydrophobicContact CB-CD1 4.06Å; L87-L113 HydrophobicContact CD1-CD1 4.37Å; L87-L113 HydrophobicContact CD1-CD2 4.2Å |
| 88 | L | 97.3 | Very high | 95.3 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.8 | -44.6 | -176.9 | -61.5 | 178.9 | 0 | 0 | 0 | 113.9 | H85 S86 L91 E92 L110 F126 L129 | H85-L88 HydrophobicContact CB-CD1 4.33Å; H85-L88 WeakPolarHBondContact O-CB 3.48Å; H85-L88 WeakPolarHBondContact O-CG 3.48Å; H85-L88 PolarHBondContact O-N 3.24Å; S86-L88 VanDerWaalsContact C-N 3.35Å; L88-L91 PolarHBondContact O-N 3.04Å; L88-E92 WeakPolarHBondContact O-CB 3.31Å; L88-E92 PolarHBondContact O-N 3.18Å; L88-L110 HydrophobicContact CD2-CD2 3.72Å; L88-F126 HydrophobicContact CD1-CB 4.22Å; L88-F126 HydrophobicContact CD1-CD2 4.03Å; L88-F126 HydrophobicContact CD1-CG 4.39Å; L88-F126 HydrophobicContact CD2-CD2 3.6Å; L88-F126 HydrophobicContact CD2-CE2 3.67Å; L88-F126 HydrophobicContact CD2-CG 4.5Å; L88-F126 HydrophobicContact CG-CD2 4.49Å; L88-L129 HydrophobicContact CB-CD1 3.8Å; L88-L129 HydrophobicContact CD2-CD1 4.29Å; L88-L129 HydrophobicContact CG-CD1 4.46Å |
| 89 | P | 96.1 | Very high | 95.2 | Very high | 59 Ų | 59 | 39.6 Ų | 39.6 | 38% | 0.383 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -56.2 | -48.9 | -177.4 | -25.2 | 35.2 | 0 | 0 | 0 | 115.5 | T54 S86 L91 E92 S93 | T54-P89 HydrophobicContact CG2-CB 4.33Å; S86-P89 WeakPolarHBondContact O-CD 3.46Å; P89-L91 VanDerWaalsContact C-N 3.35Å; P89-L91 PolarHBondContact O-N 3.23Å; P89-E92 PolarHBondContact O-N 2.75Å; P89-S93 PolarHBondContact O-N 3.06Å; P89-S93 VanDerWaalsContact O-N 3.17Å; P89-S93 PolarHBondContact O-OG 2.96Å |
| 90 | P | 95.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.5 | -35 | 178.4 | 29.1 | -37.3 | 0 | 0 | 0 | 112 | I50 T54 I71 L87 S93 L94 | I50-P90 HydrophobicContact CG2-CG 4Å; T54-P90 WeakPolarHBondContact OG1-CD 3.47Å; I71-P90 HydrophobicContact CD1-CB 3.78Å; I71-P90 HydrophobicContact CD1-CG 4.01Å; I71-P90 HydrophobicContact CG2-CG 4.21Å; L87-P90 WeakPolarHBondContact O-CD 3.37Å; L87-P90 WeakPolarHBondContact O-CG 3.24Å; P90-S93 WeakPolarHBondContact O-CB 3.29Å; P90-S93 PolarHBondContact O-N 3.21Å; P90-L94 WeakPolarHBondContact O-CB 3.17Å; P90-L94 VanDerWaalsContact O-CG 3.26Å; P90-L94 WeakPolarHBondContact O-CG 3.45Å; P90-L94 PolarHBondContact O-N 3.49Å |
| 91 | L | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.1 | -33.7 | 176 | -72.9 | 176.3 | 0 | 0 | 0 | 112.9 | I71 L88 P89 L94 A95 A106 A109 L110 L113 | I71-L91 HydrophobicContact CB-CD2 4.05Å; I71-L91 HydrophobicContact CB-CG 4.3Å; I71-L91 HydrophobicContact CG2-CD1 3.95Å; I71-L91 HydrophobicContact CG2-CD2 3.96Å; I71-L91 HydrophobicContact CG2-CG 3.64Å; L88-L91 PolarHBondContact O-N 3.04Å; P89-L91 VanDerWaalsContact C-N 3.35Å; P89-L91 PolarHBondContact O-N 3.23Å; L91-L94 CarbonylContact O-C 3.38Å; L91-L94 PolarHBondContact O-N 3.2Å; L91-A95 VanDerWaalsContact O-CB 3.22Å; L91-A95 WeakPolarHBondContact O-CB 3.38Å; L91-A95 PolarHBondContact O-N 3.42Å; L91-A106 HydrophobicContact CD2-CB 4.49Å; L91-A109 HydrophobicContact CD1-CB 4.07Å; L91-A109 HydrophobicContact CD2-CB 3.79Å; L91-L110 HydrophobicContact CB-CD1 4.43Å; L91-L110 HydrophobicContact CB-CD2 3.64Å; L91-L110 HydrophobicContact CB-CG 3.86Å; L91-L110 HydrophobicContact CD1-CD2 3.98Å; L91-L110 HydrophobicContact CD1-CG 4.25Å; L91-L110 HydrophobicContact CG-CD2 4.48Å; L91-L113 HydrophobicContact CD1-CD1 3.35Å |
| 92 | E | 97.5 | Very high | 95.6 | Very high | 29 Ų | 29 | 40.5 Ų | 40.5 | 14% | 0.136 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.2 | -47.6 | 172.4 | -177.3 | 176.8 | 171.3 | 0 | 0 | 111.2 | L88 P89 L94 A95 A96 L129 R132 L133 | L88-E92 WeakPolarHBondContact O-CB 3.31Å; L88-E92 PolarHBondContact O-N 3.18Å; P89-E92 PolarHBondContact O-N 2.75Å; E92-L94 PolarHBondContact O-N 2.82Å; E92-A95 CarbonylContact O-C 3.59Å; E92-A95 WeakPolarHBondContact O-CB 3.34Å; E92-A95 PolarHBondContact O-N 3.4Å; E92-A95 VanDerWaalsContact O-N 3.12Å; E92-A96 PolarHBondContact O-N 3.24Å; E92-L129 HydrophobicContact CB-CD1 3.67Å; E92-L129 HydrophobicContact CB-CG 3.96Å; E92-L129 HydrophobicContact CG-CD1 4.15Å; E92-L129 HydrophobicContact CG-CG 3.86Å; E92-R132 WeakPolarHBondContact OE1-CB 3.4Å; E92-R132 IonicContact OE1-CZ 2.75Å; E92-R132 IonicContact OE1-NE 3.52Å; E92-R132 PolarHBondContact OE1-NE 3.33Å; E92-R132 IonicContact OE1-NH2 3.53Å; E92-R132 IonicContact OE2-CZ 3.55Å; E92-R132 IonicContact OE2-NE 2.78Å; E92-R132 PolarHBondContact OE2-NE 3.05Å; E92-R132 IonicContact OE2-NH2 2.85Å; E92-R132 PolarHBondContact OE2-NH2 3.44Å; E92-L133 HydrophobicContact CG-CD2 4.07Å; E92-L133 HydrophobicContact CG-CG 4.29Å |
| 93 | S | 95.4 | Very high | 95.8 | Very high | 35 Ų | 35 | 33.9 Ų | 33.9 | 25% | 0.245 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.5 | -46 | 175.5 | -66.9 | 0 | 0 | 0 | 0 | 111.7 | I57 P89 P90 A95 A96 V97 | I57-S93 VanDerWaalsContact CD1-CB 3.45Å; P89-S93 PolarHBondContact O-N 3.06Å; P89-S93 VanDerWaalsContact O-N 3.17Å; P89-S93 PolarHBondContact O-OG 2.96Å; P90-S93 WeakPolarHBondContact O-CB 3.29Å; P90-S93 PolarHBondContact O-N 3.21Å; S93-A95 VanDerWaalsContact C-N 3.25Å; S93-A95 PolarHBondContact O-N 2.92Å; S93-A96 PolarHBondContact O-N 3.48Å; S93-V97 PolarHBondContact O-N 2.98Å |
| 94 | L | 96.5 | Very high | 96 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68 | -23.7 | 175.9 | -67.7 | 165.9 | 0 | 0 | 0 | 112.7 | I57 L64 L67 A68 I71 P90 L91 E92 A96 V97 V102 R103 A106 | I57-L94 HydrophobicContact CG2-CD2 4.47Å; I57-L94 HydrophobicContact CG2-CG 4.42Å; L64-L94 HydrophobicContact CB-CD2 3.99Å; L64-L94 HydrophobicContact CD2-CD2 4.03Å; L64-L94 HydrophobicContact CG-CD2 4.46Å; L67-L94 HydrophobicContact CD2-CD1 4.3Å; L67-L94 HydrophobicContact CG-CD1 4.15Å; A68-L94 HydrophobicContact CB-CD1 4Å; I71-L94 HydrophobicContact CD1-CD1 3.79Å; P90-L94 WeakPolarHBondContact O-CB 3.17Å; P90-L94 VanDerWaalsContact O-CG 3.26Å; P90-L94 WeakPolarHBondContact O-CG 3.45Å; P90-L94 PolarHBondContact O-N 3.49Å; L91-L94 CarbonylContact O-C 3.38Å; L91-L94 PolarHBondContact O-N 3.2Å; E92-L94 PolarHBondContact O-N 2.82Å; L94-A96 VanDerWaalsContact C-N 3.25Å; L94-A96 PolarHBondContact O-N 3.25Å; L94-V97 WeakPolarHBondContact O-CG2 3.25Å; L94-V102 HydrophobicContact CD2-CG1 3.98Å; L94-R103 WeakPolarHBondContact O-CA 3.35Å; L94-A106 HydrophobicContact CB-CB 3.61Å |
| 95 | A | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -6.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L91 E92 S93 R103 A106 V107 L110 L133 S144 | L91-A95 VanDerWaalsContact O-CB 3.22Å; L91-A95 WeakPolarHBondContact O-CB 3.38Å; L91-A95 PolarHBondContact O-N 3.42Å; E92-A95 CarbonylContact O-C 3.59Å; E92-A95 WeakPolarHBondContact O-CB 3.34Å; E92-A95 PolarHBondContact O-N 3.4Å; E92-A95 VanDerWaalsContact O-N 3.12Å; S93-A95 VanDerWaalsContact C-N 3.25Å; S93-A95 PolarHBondContact O-N 2.92Å; A95-R103 VanDerWaalsContact O-CD 3.29Å; A95-R103 WeakPolarHBondContact O-CD 3.4Å; A95-R103 VanDerWaalsContact O-CG 3.28Å; A95-R103 WeakPolarHBondContact O-CG 3.49Å; A95-A106 HydrophobicContact CB-CB 4.22Å; A95-V107 HydrophobicContact CB-CG2 4.1Å; A95-L110 HydrophobicContact CB-CD1 4.04Å; A95-L133 HydrophobicContact CB-CD1 4.29Å; A95-S144 VanDerWaalsContact O-CB 3.29Å; A95-S144 WeakPolarHBondContact O-CB 3.27Å; A95-S144 PolarHBondContact O-OG 3.5Å |
| 96 | A | 95.8 | Very high | 96.2 | Very high | 37 Ų | 37 | 36 Ų | 36 | 31% | 0.306 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -11 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | E92 S93 L94 L133 T140 | E92-A96 PolarHBondContact O-N 3.24Å; S93-A96 PolarHBondContact O-N 3.48Å; L94-A96 VanDerWaalsContact C-N 3.25Å; L94-A96 PolarHBondContact O-N 3.25Å; A96-L133 HydrophobicContact CB-CD2 4.41Å; A96-T140 WeakPolarHBondContact O-CB 3.39Å; A96-T140 PolarHBondContact O-OG1 2.82Å |
| 97 | V | 94.6 | Very high | 96.3 | Very high | 35 Ų | 35 | 35.5 Ų | 35.5 | 21% | 0.212 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -64.4 | 159.6 | 178.3 | -82.8 | 0 | 0 | 0 | 0 | 113.2 | S93 L94 V102 R103 | S93-V97 PolarHBondContact O-N 2.98Å; L94-V97 WeakPolarHBondContact O-CG2 3.25Å; V97-V102 HydrophobicContact CG2-CB 4.23Å; V97-V102 HydrophobicContact CG2-CG1 3.73Å; V97-R103 PolarHBondContact O-NH1 3.08Å |
| 98 | E | 92.8 | Very high | 96.4 | Very high | 154 Ų | 154 | 39.4 Ų | 39.4 | 72% | 0.72 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -69.1 | -43.5 | -176.5 | -64.1 | -171.7 | 173.3 | 0 | 0 | 112.1 | T100 R103 | E98-T100 PolarHBondContact O-N 3.29Å; E98-R103 PolarHBondContact O-NH1 3.37Å |
| 99 | E | 94.9 | Very high | 96.4 | Very high | 61 Ų | 61 | 39.4 Ų | 39.4 | 29% | 0.285 | 21% | 0.213 | S | C | . | . | trans | -63.3 | 123.8 | -175.8 | -176.1 | 45 | -120.5 | 0 | 0 | 111.7 | D61 V101 V102 R103 | D61-E99 HydrophobicContact CB-CG 4.03Å; D61-E99 WeakPolarHBondContact OD1-CB 3.16Å; E99-V101 HydrophobicContact CG-CG2 3.87Å; E99-V101 PolarHBondContact OE1-N 3.1Å; E99-V102 HydrophobicContact CB-CB 4.4Å; E99-V102 HydrophobicContact CB-CG2 4.08Å; E99-V102 HydrophobicContact CG-CG2 3.91Å; E99-R103 WeakPolarHBondContact O-CB 3.43Å; E99-R103 PolarHBondContact O-N 3.43Å; E99-R103 VanDerWaalsContact O-N 3.12Å | ||
| 100 | T | 95.4 | Very high | 96.5 | Very high | 66 Ų | 66 | 36.6 Ų | 36.6 | 41% | 0.405 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67.4 | -43.1 | -169 | 59.4 | 0 | 0 | 0 | 0 | 112.2 | E98 V102 R103 D104 | E98-T100 PolarHBondContact O-N 3.29Å; T100-V102 PolarHBondContact O-N 3.28Å; T100-R103 PolarHBondContact O-N 3.45Å; T100-D104 WeakPolarHBondContact O-CB 3.11Å; T100-D104 VanDerWaalsContact O-CG 3.3Å; T100-D104 PolarHBondContact O-N 3.27Å |
| 101 | V | 96.5 | Very high | 96.6 | Very high | 75 Ų | 75 | 39.8 Ų | 39.8 | 46% | 0.455 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -68.3 | -36.6 | -176.9 | -61.5 | 0 | 0 | 0 | 0 | 111.9 | L65 E99 R105 | L65-V101 HydrophobicContact CD2-CG2 4.47Å; E99-V101 HydrophobicContact CG-CG2 3.87Å; E99-V101 PolarHBondContact OE1-N 3.1Å; V101-R105 WeakPolarHBondContact O-CB 3.43Å; V101-R105 PolarHBondContact O-N 2.89Å; V101-R105 VanDerWaalsContact O-N 3.12Å |
| 102 | V | 96.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.6 | -49.1 | 175.9 | 179 | 0 | 0 | 0 | 0 | 109.8 | D61 L64 L65 L94 V97 E99 T100 R105 A106 | D61-V102 HydrophobicContact CB-CG2 4.42Å; D61-V102 WeakPolarHBondContact O-CG2 3.34Å; L64-V102 HydrophobicContact CB-CG1 3.73Å; L64-V102 HydrophobicContact CB-CG2 4.01Å; L65-V102 HydrophobicContact CB-CG2 4.09Å; L94-V102 HydrophobicContact CD2-CG1 3.98Å; V97-V102 HydrophobicContact CG2-CB 4.23Å; V97-V102 HydrophobicContact CG2-CG1 3.73Å; E99-V102 HydrophobicContact CB-CB 4.4Å; E99-V102 HydrophobicContact CB-CG2 4.08Å; E99-V102 HydrophobicContact CG-CG2 3.91Å; T100-V102 PolarHBondContact O-N 3.28Å; V102-R105 PolarHBondContact O-N 3.37Å; V102-A106 WeakPolarHBondContact O-CB 3.26Å; V102-A106 PolarHBondContact O-N 2.72Å |
| 103 | R | 96.3 | Very high | 96.3 | Very high | 8 Ų | 8 | 44.7 Ų | 44.7 | 3% | 0.03 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.3 | -47.3 | -179 | -177 | 169.2 | 68.9 | -119.7 | -5.6 | 112.4 | L94 A95 V97 E98 E99 T100 R105 A106 V107 S144 | L94-R103 WeakPolarHBondContact O-CA 3.35Å; A95-R103 VanDerWaalsContact O-CD 3.29Å; A95-R103 WeakPolarHBondContact O-CD 3.4Å; A95-R103 VanDerWaalsContact O-CG 3.28Å; A95-R103 WeakPolarHBondContact O-CG 3.49Å; V97-R103 PolarHBondContact O-NH1 3.08Å; E98-R103 PolarHBondContact O-NH1 3.37Å; E99-R103 WeakPolarHBondContact O-CB 3.43Å; E99-R103 PolarHBondContact O-N 3.43Å; E99-R103 VanDerWaalsContact O-N 3.12Å; T100-R103 PolarHBondContact O-N 3.45Å; R103-R105 VanDerWaalsContact C-N 3.3Å; R103-R105 PolarHBondContact O-N 3.21Å; R103-A106 PolarHBondContact O-N 3.08Å; R103-V107 WeakPolarHBondContact O-CG2 3.3Å; R103-V107 PolarHBondContact O-N 3.46Å; R103-S144 WeakPolarHBondContact CD-OG 3.48Å; R103-S144 WeakPolarHBondContact CG-OG 3.27Å |
| 104 | D | 97.1 | Very high | 96.3 | Very high | 99 Ų | 99 | 43.1 Ų | 43.1 | 53% | 0.529 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.8 | -39.6 | 179.2 | -72 | -12.8 | 0 | 0 | 0 | 110.9 | T100 V107 E108 | T100-D104 WeakPolarHBondContact O-CB 3.11Å; T100-D104 VanDerWaalsContact O-CG 3.3Å; T100-D104 PolarHBondContact O-N 3.27Å; D104-V107 PolarHBondContact O-N 2.99Å; D104-E108 WeakPolarHBondContact O-CB 3.37Å; D104-E108 PolarHBondContact O-N 3.1Å |
| 105 | R | 97.3 | Very high | 96.1 | Very high | 72 Ų | 72 | 47.2 Ų | 47.2 | 27% | 0.272 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.6 | -40.9 | 174.5 | -177.4 | 62.1 | 72.9 | 80.9 | -7.3 | 112.5 | L65 A68 E69 V101 V102 R103 E108 A109 | L65-R105 HydrophobicContact CD1-CB 3.7Å; L65-R105 HydrophobicContact CD1-CG 3.97Å; A68-R105 HydrophobicContact CB-CB 4.3Å; A68-R105 HydrophobicContact CB-CG 3.91Å; E69-R105 IonicContact OE1-NH1 3.26Å; E69-R105 IonicContact OE2-CZ 2.74Å; E69-R105 IonicContact OE2-NH1 3.7Å; E69-R105 PolarHBondContact OE2-NH1 3.28Å; V101-R105 WeakPolarHBondContact O-CB 3.43Å; V101-R105 PolarHBondContact O-N 2.89Å; V101-R105 VanDerWaalsContact O-N 3.12Å; V102-R105 PolarHBondContact O-N 3.37Å; R103-R105 VanDerWaalsContact C-N 3.3Å; R103-R105 PolarHBondContact O-N 3.21Å; R105-E108 IonicContact NE-OE2 2.93Å; R105-E108 WeakPolarHBondContact O-CB 3.23Å; R105-E108 PolarHBondContact O-N 2.97Å; R105-A109 PolarHBondContact O-N 3.32Å |
| 106 | A | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A68 L91 L94 A95 V102 R103 A109 L110 | A68-A106 HydrophobicContact CB-CB 4.17Å; L91-A106 HydrophobicContact CD2-CB 4.49Å; L94-A106 HydrophobicContact CB-CB 3.61Å; A95-A106 HydrophobicContact CB-CB 4.22Å; V102-A106 WeakPolarHBondContact O-CB 3.26Å; V102-A106 PolarHBondContact O-N 2.72Å; R103-A106 PolarHBondContact O-N 3.08Å; A106-A109 PolarHBondContact O-N 2.89Å; A106-L110 WeakPolarHBondContact O-CG 3.29Å; A106-L110 PolarHBondContact O-N 3.15Å |
| 107 | V | 98.2 | Very high | 95.7 | Very high | 10 Ų | 10 | 48.4 Ų | 48.4 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.2 | -40.8 | 173.8 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | A95 R103 D104 L110 R111 A147 L148 | A95-V107 HydrophobicContact CB-CG2 4.1Å; R103-V107 WeakPolarHBondContact O-CG2 3.3Å; R103-V107 PolarHBondContact O-N 3.46Å; D104-V107 PolarHBondContact O-N 2.99Å; V107-L110 PolarHBondContact O-N 2.93Å; V107-R111 VanDerWaalsContact O-CG 3.31Å; V107-R111 WeakPolarHBondContact O-CG 3.48Å; V107-R111 PolarHBondContact O-N 3.43Å; V107-A147 HydrophobicContact CG1-CB 3.52Å; V107-L148 HydrophobicContact CG1-CD2 4.32Å |
| 108 | E | 97.7 | Very high | 95.6 | Very high | 82 Ų | 82 | 50.5 Ų | 50.5 | 38% | 0.383 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 173.9 | -168.8 | -169 | 166.5 | 0 | 0 | 111.6 | D104 R105 R111 K112 | D104-E108 WeakPolarHBondContact O-CB 3.37Å; D104-E108 PolarHBondContact O-N 3.1Å; R105-E108 IonicContact NE-OE2 2.93Å; R105-E108 WeakPolarHBondContact O-CB 3.23Å; R105-E108 PolarHBondContact O-N 2.97Å; E108-R111 PolarHBondContact O-N 3.41Å; E108-K112 WeakPolarHBondContact O-CG 3.35Å; E108-K112 PolarHBondContact O-N 3.19Å; E108-K112 WeakPolarHBondContact OE1-CE 3.16Å; E108-K112 IonicContact OE1-NZ 3Å; E108-K112 PolarHBondContact OE1-NZ 3.02Å |
| 109 | A | 97.4 | Very high | 95.5 | Very high | 6 Ų | 6 | 44.8 Ų | 44.8 | 5% | 0.05 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.3 | -44.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L91 R105 A106 R111 K112 L113 | L91-A109 HydrophobicContact CD1-CB 4.07Å; L91-A109 HydrophobicContact CD2-CB 3.79Å; R105-A109 PolarHBondContact O-N 3.32Å; A106-A109 PolarHBondContact O-N 2.89Å; A109-R111 VanDerWaalsContact C-N 3.31Å; A109-R111 PolarHBondContact O-N 3.5Å; A109-K112 PolarHBondContact O-N 3.5Å; A109-L113 WeakPolarHBondContact O-CG 3.38Å; A109-L113 PolarHBondContact O-N 3.08Å |
| 110 | L | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.4 | -43.2 | 174.1 | -74.5 | 169.9 | 0 | 0 | 0 | 111.8 | L88 L91 A95 A106 V107 L113 A114 F126 L129 L148 | L88-L110 HydrophobicContact CD2-CD2 3.72Å; L91-L110 HydrophobicContact CB-CD1 4.43Å; L91-L110 HydrophobicContact CB-CD2 3.64Å; L91-L110 HydrophobicContact CB-CG 3.86Å; L91-L110 HydrophobicContact CD1-CD2 3.98Å; L91-L110 HydrophobicContact CD1-CG 4.25Å; L91-L110 HydrophobicContact CG-CD2 4.48Å; A95-L110 HydrophobicContact CB-CD1 4.04Å; A106-L110 WeakPolarHBondContact O-CG 3.29Å; A106-L110 PolarHBondContact O-N 3.15Å; V107-L110 PolarHBondContact O-N 2.93Å; L110-L113 PolarHBondContact O-N 3.2Å; L110-A114 PolarHBondContact O-N 2.87Å; L110-F126 HydrophobicContact CB-CZ 4.11Å; L110-F126 HydrophobicContact CD2-CE2 4.48Å; L110-F126 HydrophobicContact CD2-CZ 4.36Å; L110-F126 WeakPolarHBondContact O-CZ 3.44Å; L110-L129 HydrophobicContact CD1-CD2 4.37Å; L110-L129 HydrophobicContact CD2-CD1 3.95Å; L110-L148 HydrophobicContact CB-CD2 4.01Å; L110-L148 HydrophobicContact CD1-CD1 4.13Å |
| 111 | R | 97.5 | Very high | 95.2 | Very high | 67 Ų | 67 | 44.2 Ų | 44.2 | 25% | 0.253 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.6 | -38.3 | 177 | -71.5 | 175.5 | 62.6 | 105.3 | 1.7 | 112.3 | V107 E108 A109 L113 A114 P115 A147 L148 S150 V151 E189 | V107-R111 VanDerWaalsContact O-CG 3.31Å; V107-R111 WeakPolarHBondContact O-CG 3.48Å; V107-R111 PolarHBondContact O-N 3.43Å; E108-R111 PolarHBondContact O-N 3.41Å; A109-R111 VanDerWaalsContact C-N 3.31Å; A109-R111 PolarHBondContact O-N 3.5Å; R111-L113 VanDerWaalsContact C-N 3.34Å; R111-A114 WeakPolarHBondContact O-CB 3.42Å; R111-A114 PolarHBondContact O-N 2.97Å; R111-P115 VanDerWaalsContact O-CD 3.28Å; R111-P115 WeakPolarHBondContact O-CD 3.41Å; R111-A147 PolarHBondContact NH1-O 2.83Å; R111-L148 HydrophobicContact CG-CD2 3.86Å; R111-S150 PolarHBondContact NH1-OG 3.12Å; R111-V151 HydrophobicContact CG-CG1 4.39Å; R111-V151 HydrophobicContact CG-CG2 4.46Å; R111-E189 IonicContact CZ-OE1 2.72Å; R111-E189 VanDerWaalsContact CZ-OE1 3.24Å; R111-E189 IonicContact NH1-OE1 3.19Å; R111-E189 PolarHBondContact NH1-OE1 2.86Å; R111-E189 IonicContact NH1-OE2 3.89Å; R111-E189 IonicContact NH2-OE1 3.82Å; R111-E189 PolarHBondContact NH2-OE1 2.98Å; R111-E189 IonicContact NH2-OE2 3.36Å |
| 112 | K | 95.5 | Very high | 95.2 | Very high | 131 Ų | 131 | 40.6 Ų | 40.6 | 57% | 0.57 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -68.1 | -31.9 | 175.3 | -74.2 | 177 | -176.1 | 167.5 | 0 | 112.8 | E108 A109 P115 | E108-K112 WeakPolarHBondContact O-CG 3.35Å; E108-K112 PolarHBondContact O-N 3.19Å; E108-K112 WeakPolarHBondContact OE1-CE 3.16Å; E108-K112 IonicContact OE1-NZ 3Å; E108-K112 PolarHBondContact OE1-NZ 3.02Å; A109-K112 PolarHBondContact O-N 3.5Å; K112-P115 WeakPolarHBondContact O-CD 3.44Å |
| 113 | L | 94.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -78.6 | -22.1 | 175.3 | -71.6 | 178.2 | 0 | 0 | 0 | 113.7 | V75 L87 L91 A109 L110 R111 D116 H117 | V75-L113 HydrophobicContact CG2-CD2 3.14Å; L87-L113 HydrophobicContact CB-CD1 4.06Å; L87-L113 HydrophobicContact CD1-CD1 4.37Å; L87-L113 HydrophobicContact CD1-CD2 4.2Å; L91-L113 HydrophobicContact CD1-CD1 3.35Å; A109-L113 WeakPolarHBondContact O-CG 3.38Å; A109-L113 PolarHBondContact O-N 3.08Å; L110-L113 PolarHBondContact O-N 3.2Å; R111-L113 VanDerWaalsContact C-N 3.34Å; L113-D116 PolarHBondContact O-N 2.9Å; L113-H117 PolarHBondContact O-ND1 3.26Å |
| 114 | A | 94.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -54.7 | -46.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L110 R111 D116 H117 M122 F126 V151 R155 | L110-A114 PolarHBondContact O-N 2.87Å; R111-A114 WeakPolarHBondContact O-CB 3.42Å; R111-A114 PolarHBondContact O-N 2.97Å; A114-D116 PolarHBondContact O-N 3.29Å; A114-H117 PolarHBondContact O-N 2.96Å; A114-M122 HydrophobicContact CB-CE 3.97Å; A114-M122 WeakPolarHBondContact O-CE 3.4Å; A114-F126 HydrophobicContact CB-CE2 4.16Å; A114-F126 HydrophobicContact CB-CZ 4.2Å; A114-V151 HydrophobicContact CB-CB 4.19Å; A114-V151 HydrophobicContact CB-CG2 4.22Å; A114-R155 VanDerWaalsContact O-CZ 3.28Å; A114-R155 PolarHBondContact O-NH1 3.42Å; A114-R155 PolarHBondContact O-NH2 3.2Å |
| 115 | P | 93 | Very high | 95 | Very high | 86 Ų | 86 | 47.4 Ų | 47.4 | 56% | 0.558 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -48.4 | -37.9 | 171.6 | -31.5 | 37.1 | 0 | 0 | 0 | 115.5 | R111 K112 H117 R155 | R111-P115 VanDerWaalsContact O-CD 3.28Å; R111-P115 WeakPolarHBondContact O-CD 3.41Å; K112-P115 WeakPolarHBondContact O-CD 3.44Å; P115-H117 VanDerWaalsContact C-N 3.29Å; P115-H117 PolarHBondContact O-N 2.99Å; P115-R155 VanDerWaalsContact CA-NH1 3.3Å; P115-R155 PolarHBondContact O-NH2 3.36Å; P115-R155 VanDerWaalsContact O-NH2 3.16Å |
| 116 | D | 91.5 | Very high | 95 | Very high | 60 Ų | 60 | 44 Ų | 44 | 32% | 0.321 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -75.3 | -10.9 | -173.9 | -64.6 | -40.2 | 0 | 0 | 0 | 114.5 | P81 A84 L113 A114 | P81-D116 HydrophobicContact CB-CB 4.1Å; P81-D116 VanDerWaalsContact CB-O 3.3Å; P81-D116 WeakPolarHBondContact CB-O 3.4Å; A84-D116 HydrophobicContact CB-CB 4.14Å; L113-D116 PolarHBondContact O-N 2.9Å; A114-D116 PolarHBondContact O-N 3.29Å |
| 117 | H | 92.3 | Very high | 95 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -90.5 | 132.7 | 179.8 | -68.7 | 71.4 | 0 | 0 | 0 | 111.2 | H85 L113 A114 P115 A121 M122 R155 | H85-H117 VanDerWaalsContact CA-NE2 3.28Å; H85-H117 WeakPolarHBondContact CA-NE2 3.43Å; H85-H117 PolarHBondContact N-NE2 3.24Å; L113-H117 PolarHBondContact O-ND1 3.26Å; A114-H117 PolarHBondContact O-N 2.96Å; P115-H117 VanDerWaalsContact C-N 3.29Å; P115-H117 PolarHBondContact O-N 2.99Å; H117-A121 HydrophobicContact CB-CB 4.16Å; H117-M122 HydrophobicContact CB-CE 4.26Å; H117-R155 PolarHBondContact O-NH2 3.34Å |
| 118 | T | 92.1 | Very high | 95 | Very high | 78 Ų | 78 | 46.1 Ų | 46.1 | 48% | 0.479 | 23% | 0.231 | S | C | . | . | trans | -60.7 | 164.8 | 167.5 | 79.1 | 0 | 0 | 0 | 0 | 110.9 | E120 A121 M122 | T118-E120 WeakPolarHBondContact CB-OE2 3.46Å; T118-E120 PolarHBondContact O-N 3.42Å; T118-E120 PolarHBondContact OG1-N 3.37Å; T118-E120 PolarHBondContact OG1-OE2 3.35Å; T118-A121 PolarHBondContact O-N 3.48Å; T118-A121 VanDerWaalsContact O-N 3.14Å; T118-A121 PolarHBondContact OG1-N 3.29Å; T118-A121 VanDerWaalsContact OG1-N 3.14Å; T118-M122 WeakPolarHBondContact O-CB 3.27Å; T118-M122 PolarHBondContact O-N 3.33Å | ||
| 119 | T | 91.1 | Very high | 95 | Very high | 34 Ų | 34 | 42.2 Ų | 42.2 | 21% | 0.209 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.1 | -37.8 | 173.9 | 37 | 0 | 0 | 0 | 0 | 112.4 | M122 E123 F274 | T119-M122 WeakPolarHBondContact O-CB 3.49Å; T119-M122 PolarHBondContact O-N 3.24Å; T119-E123 PolarHBondContact O-N 2.95Å; T119-E123 VanDerWaalsContact O-N 3.07Å; T119-F274 HydrophobicContact CG2-CB 4.14Å; T119-F274 HydrophobicContact CG2-CD1 4.01Å; T119-F274 HydrophobicContact CG2-CD2 4.25Å; T119-F274 HydrophobicContact CG2-CE1 4.46Å; T119-F274 HydrophobicContact CG2-CG 3.89Å |
| 120 | E | 91.1 | Very high | 95 | Very high | 99 Ų | 99 | 41.9 Ų | 41.9 | 46% | 0.463 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68.9 | -42.4 | 175.8 | -58.1 | 67.3 | -141.1 | 0 | 0 | 111.3 | T118 E123 K124 F274 | T118-E120 WeakPolarHBondContact CB-OE2 3.46Å; T118-E120 PolarHBondContact O-N 3.42Å; T118-E120 PolarHBondContact OG1-N 3.37Å; T118-E120 PolarHBondContact OG1-OE2 3.35Å; E120-E123 PolarHBondContact O-N 2.69Å; E120-K124 WeakPolarHBondContact O-CB 3.4Å; E120-K124 PolarHBondContact O-N 2.88Å; E120-F274 VanDerWaalsContact OE1-CE2 3.31Å; E120-F274 WeakPolarHBondContact OE1-CE2 3.42Å |
| 121 | A | 93.4 | Very high | 95 | Very high | 16 Ų | 16 | 45.5 Ų | 45.5 | 13% | 0.132 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.7 | -36.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | H117 T118 K124 Y125 | H117-A121 HydrophobicContact CB-CB 4.16Å; T118-A121 PolarHBondContact O-N 3.48Å; T118-A121 VanDerWaalsContact O-N 3.14Å; T118-A121 PolarHBondContact OG1-N 3.29Å; T118-A121 VanDerWaalsContact OG1-N 3.14Å; A121-K124 PolarHBondContact O-N 2.97Å; A121-Y125 HydrophobicContact CB-CD2 4.24Å; A121-Y125 WeakPolarHBondContact O-CB 3.34Å; A121-Y125 WeakPolarHBondContact O-CD2 3.3Å; A121-Y125 PolarHBondContact O-N 2.96Å |
| 122 | M | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -58.3 | -51.5 | 173.5 | -176.7 | 65.3 | 66.8 | 0 | 0 | 110.3 | A114 H117 T118 T119 F126 N127 V152 R155 V156 | A114-M122 HydrophobicContact CB-CE 3.97Å; A114-M122 WeakPolarHBondContact O-CE 3.4Å; H117-M122 HydrophobicContact CB-CE 4.26Å; T118-M122 WeakPolarHBondContact O-CB 3.27Å; T118-M122 PolarHBondContact O-N 3.33Å; T119-M122 WeakPolarHBondContact O-CB 3.49Å; T119-M122 PolarHBondContact O-N 3.24Å; M122-F126 HydrophobicContact CE-CD2 4.49Å; M122-F126 HydrophobicContact CE-CG 4.46Å; M122-F126 HydrophobicContact CG-CB 4.48Å; M122-F126 CarbonylContact O-C 3.58Å; M122-F126 WeakPolarHBondContact O-CA 3.47Å; M122-F126 WeakPolarHBondContact O-CB 3.44Å; M122-F126 PolarHBondContact O-N 2.97Å; M122-F126 VanDerWaalsContact O-N 3.12Å; M122-F126 HydrophobicContact SD-CB 3.47Å; M122-F126 WeakPolarHBondContact SD-CB 3.32Å; M122-F126 HydrophobicContact SD-CD1 3.87Å; M122-F126 HydrophobicContact SD-CD2 4.17Å; M122-F126 HydrophobicContact SD-CG 3.58Å; M122-F126 VanDerWaalsContact SD-CG 3.58Å; M122-N127 PolarHBondContact O-N 2.88Å; M122-V152 HydrophobicContact CG-CG1 4.48Å; M122-V152 HydrophobicContact SD-CB 4.46Å; M122-V152 HydrophobicContact SD-CG1 4.32Å; M122-V152 HydrophobicContact SD-CG2 4.03Å; M122-R155 HydrophobicContact CB-CB 4.46Å; M122-R155 HydrophobicContact CG-CB 3.85Å; M122-V156 HydrophobicContact CG-CG1 4.17Å |
| 123 | E | 94.9 | Very high | 95.2 | Very high | 36 Ų | 36 | 42.1 Ų | 42.1 | 17% | 0.168 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -68.9 | -36.1 | 179.9 | -168.5 | 168.2 | 124 | 0 | 0 | 112.8 | T119 E120 P128 V156 R157 K160 | T119-E123 PolarHBondContact O-N 2.95Å; T119-E123 VanDerWaalsContact O-N 3.07Å; E120-E123 PolarHBondContact O-N 2.69Å; E123-P128 WeakPolarHBondContact O-CD 3.4Å; E123-V156 HydrophobicContact CB-CG1 4.38Å; E123-R157 VanDerWaalsContact CD-NH1 3.27Å; E123-R157 IonicContact OE1-CZ 3.16Å; E123-R157 IonicContact OE1-NH1 2.69Å; E123-R157 PolarHBondContact OE1-NH1 3.35Å; E123-R157 WeakPolarHBondContact OE2-CB 3.31Å; E123-R157 VanDerWaalsContact OE2-CG 3.3Å; E123-R157 WeakPolarHBondContact OE2-CG 3.39Å; E123-R157 PolarHBondContact OE2-N 3.43Å; E123-R157 IonicContact OE2-NH1 3.05Å; E123-R157 PolarHBondContact OE2-NH1 3.16Å; E123-K160 HydrophobicContact CG-CG 4.19Å |
| 124 | K | 95.6 | Very high | 95.3 | Very high | 135 Ų | 135 | 42.4 Ų | 42.4 | 59% | 0.587 | 21% | 0.213 | S | C | * | . | I | π-helix | trans | -78.1 | -36.4 | -176 | -175 | 177.1 | 177.3 | -164.2 | 0 | 114 | E120 A121 P128 | E120-K124 WeakPolarHBondContact O-CB 3.4Å; E120-K124 PolarHBondContact O-N 2.88Å; A121-K124 PolarHBondContact O-N 2.97Å; K124-P128 WeakPolarHBondContact O-CG 3.43Å |
| 125 | Y | 96.5 | Very high | 95.4 | Very high | 78 Ų | 78 | 45.4 Ų | 45.4 | 31% | 0.306 | 23% | 0.232 | S | C | . | . | I | π-helix | trans | -119.4 | -46.9 | -171.2 | -58.4 | -74.4 | 0 | 0 | 0 | 113 | H85 A121 L129 | H85-Y125 HydrophobicContact CB-CD1 4.3Å; H85-Y125 HydrophobicContact CB-CD2 3.64Å; H85-Y125 HydrophobicContact CB-CE2 4.22Å; H85-Y125 HydrophobicContact CB-CG 3.69Å; H85-Y125 AromaticContact CD2-CD1 3.92Å; H85-Y125 AromaticContact CD2-CE1 3.69Å; H85-Y125 AromaticContact CD2-CE2 3.9Å; H85-Y125 AromaticContact CD2-CZ 3.68Å; H85-Y125 AromaticContact CG-CD2 3.79Å; H85-Y125 AromaticContact CG-CE2 3.84Å; H85-Y125 AromaticContact NE2-CZ 3.87Å; A121-Y125 HydrophobicContact CB-CD2 4.24Å; A121-Y125 WeakPolarHBondContact O-CB 3.34Å; A121-Y125 WeakPolarHBondContact O-CD2 3.3Å; A121-Y125 PolarHBondContact O-N 2.96Å; Y125-L129 PolarHBondContact O-N 3.05Å |
| 126 | F | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -77.8 | -41.7 | -173.6 | -152 | -67.1 | 0 | 0 | 0 | 112.4 | L88 L110 A114 M122 L129 L130 L148 V152 | L88-F126 HydrophobicContact CD1-CB 4.22Å; L88-F126 HydrophobicContact CD1-CD2 4.03Å; L88-F126 HydrophobicContact CD1-CG 4.39Å; L88-F126 HydrophobicContact CD2-CD2 3.6Å; L88-F126 HydrophobicContact CD2-CE2 3.67Å; L88-F126 HydrophobicContact CD2-CG 4.5Å; L88-F126 HydrophobicContact CG-CD2 4.49Å; L110-F126 HydrophobicContact CB-CZ 4.11Å; L110-F126 HydrophobicContact CD2-CE2 4.48Å; L110-F126 HydrophobicContact CD2-CZ 4.36Å; L110-F126 WeakPolarHBondContact O-CZ 3.44Å; A114-F126 HydrophobicContact CB-CE2 4.16Å; A114-F126 HydrophobicContact CB-CZ 4.2Å; M122-F126 HydrophobicContact CE-CD2 4.49Å; M122-F126 HydrophobicContact CE-CG 4.46Å; M122-F126 HydrophobicContact CG-CB 4.48Å; M122-F126 CarbonylContact O-C 3.58Å; M122-F126 WeakPolarHBondContact O-CA 3.47Å; M122-F126 WeakPolarHBondContact O-CB 3.44Å; M122-F126 PolarHBondContact O-N 2.97Å; M122-F126 VanDerWaalsContact O-N 3.12Å; M122-F126 HydrophobicContact SD-CB 3.47Å; M122-F126 WeakPolarHBondContact SD-CB 3.32Å; M122-F126 HydrophobicContact SD-CD1 3.87Å; M122-F126 HydrophobicContact SD-CD2 4.17Å; M122-F126 HydrophobicContact SD-CG 3.58Å; M122-F126 VanDerWaalsContact SD-CG 3.58Å; F126-L129 WeakPolarHBondContact O-CB 3.47Å; F126-L129 PolarHBondContact O-N 3.09Å; F126-L129 VanDerWaalsContact O-N 3.16Å; F126-L130 PolarHBondContact O-N 3.5Å; F126-L148 HydrophobicContact CE1-CD1 4.45Å; F126-L148 HydrophobicContact CE1-CD2 4.44Å; F126-V152 HydrophobicContact CD1-CG2 3.54Å; F126-V152 HydrophobicContact CE1-CG2 3.72Å |
| 127 | N | 97.1 | Very high | 95.6 | Very high | 11 Ų | 11 | 46.6 Ų | 46.6 | 6% | 0.059 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.7 | -41.8 | 177.5 | 179.3 | 70.6 | 0 | 0 | 0 | 112.7 | M122 L129 L130 H131 V152 V156 | M122-N127 PolarHBondContact O-N 2.88Å; N127-L129 VanDerWaalsContact C-N 3.32Å; N127-L129 PolarHBondContact O-N 3.11Å; N127-L130 PolarHBondContact O-N 2.91Å; N127-H131 PolarHBondContact O-N 3.46Å; N127-V152 HydrophobicContact CB-CG1 4.21Å; N127-V156 HydrophobicContact CB-CG1 4.15Å |
| 128 | P | 97.9 | Very high | 95.8 | Very high | 44 Ų | 44 | 54.7 Ų | 54.7 | 29% | 0.286 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.4 | -35.5 | 170.4 | -29.5 | 37.6 | 0 | 0 | 0 | 114.6 | E123 K124 H131 R132 | E123-P128 WeakPolarHBondContact O-CD 3.4Å; K124-P128 WeakPolarHBondContact O-CG 3.43Å; P128-H131 PolarHBondContact O-N 3.35Å; P128-R132 WeakPolarHBondContact O-CG 3.46Å; P128-R132 PolarHBondContact O-N 3.33Å; P128-R132 PolarHBondContact O-NH1 2.9Å |
| 129 | L | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.9 | -48.6 | 172.4 | 169.4 | 162.5 | 0 | 0 | 0 | 110.6 | L88 E92 L110 Y125 F126 N127 H131 R132 L133 L148 | L88-L129 HydrophobicContact CB-CD1 3.8Å; L88-L129 HydrophobicContact CD2-CD1 4.29Å; L88-L129 HydrophobicContact CG-CD1 4.46Å; E92-L129 HydrophobicContact CB-CD1 3.67Å; E92-L129 HydrophobicContact CB-CG 3.96Å; E92-L129 HydrophobicContact CG-CD1 4.15Å; E92-L129 HydrophobicContact CG-CG 3.86Å; L110-L129 HydrophobicContact CD1-CD2 4.37Å; L110-L129 HydrophobicContact CD2-CD1 3.95Å; Y125-L129 PolarHBondContact O-N 3.05Å; F126-L129 WeakPolarHBondContact O-CB 3.47Å; F126-L129 PolarHBondContact O-N 3.09Å; F126-L129 VanDerWaalsContact O-N 3.16Å; N127-L129 VanDerWaalsContact C-N 3.32Å; N127-L129 PolarHBondContact O-N 3.11Å; L129-H131 VanDerWaalsContact C-N 3.28Å; L129-H131 PolarHBondContact O-N 3.09Å; L129-R132 PolarHBondContact O-N 3.41Å; L129-R132 VanDerWaalsContact O-N 3.14Å; L129-L133 HydrophobicContact CD2-CD1 3.65Å; L129-L133 HydrophobicContact CD2-CG 4.31Å; L129-L133 HydrophobicContact CG-CD1 4.47Å; L129-L133 PolarHBondContact O-N 3.13Å; L129-L148 HydrophobicContact CD2-CD1 3.9Å |
| 130 | L | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59 | -42.2 | 177.1 | 176.1 | 51.3 | 0 | 0 | 0 | 111.3 | F126 N127 R132 L133 A134 A145 L148 F149 V152 L164 | F126-L130 PolarHBondContact O-N 3.5Å; N127-L130 PolarHBondContact O-N 2.91Å; L130-R132 PolarHBondContact O-N 2.63Å; L130-L133 PolarHBondContact O-N 2.92Å; L130-A134 VanDerWaalsContact O-CB 3.24Å; L130-A134 WeakPolarHBondContact O-CB 3.36Å; L130-A134 PolarHBondContact O-N 3.18Å; L130-A145 HydrophobicContact CD1-CB 3.75Å; L130-A145 WeakPolarHBondContact CD1-O 3.5Å; L130-L148 HydrophobicContact CD1-CB 3.89Å; L130-L148 HydrophobicContact CD1-CD1 4.45Å; L130-L148 HydrophobicContact CD2-CB 4.35Å; L130-F149 HydrophobicContact CD1-CE2 4.46Å; L130-F149 HydrophobicContact CD1-CZ 4.42Å; L130-F149 HydrophobicContact CD2-CD1 4.18Å; L130-F149 HydrophobicContact CD2-CE1 4.37Å; L130-V152 HydrophobicContact CD2-CB 3.85Å; L130-V152 HydrophobicContact CD2-CG1 4.13Å; L130-V152 HydrophobicContact CD2-CG2 3.81Å; L130-L164 HydrophobicContact CD2-CD2 3.55Å; L130-L164 HydrophobicContact CG-CD2 4.11Å |
| 131 | H | 98.1 | Very high | 96.6 | Very high | 75 Ų | 75 | 48.7 Ų | 48.7 | 35% | 0.347 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -57.7 | -50.1 | 174.4 | -178.3 | -52.3 | 0 | 0 | 0 | 111.4 | N127 P128 L129 L133 A134 T135 F167 | N127-H131 PolarHBondContact O-N 3.46Å; P128-H131 PolarHBondContact O-N 3.35Å; L129-H131 VanDerWaalsContact C-N 3.28Å; L129-H131 PolarHBondContact O-N 3.09Å; H131-L133 VanDerWaalsContact C-N 3.34Å; H131-L133 PolarHBondContact O-N 3.23Å; H131-A134 PolarHBondContact O-N 3.28Å; H131-T135 PolarHBondContact ND1-OG1 3.33Å; H131-T135 PolarHBondContact O-N 3.44Å; H131-T135 PolarHBondContact O-OG1 2.98Å; H131-F167 HydrophobicContact CB-CE2 4.32Å; H131-F167 AromaticContact CD2-CE2 3.6Å; H131-F167 AromaticContact CD2-CZ 3.23Å; H131-F167 WeakPolarHBondContact CD2-CZ 3.25Å; H131-F167 AromaticContact CG-CZ 3.83Å; H131-F167 AromaticContact NE2-CZ 3.4Å; H131-F167 WeakPolarHBondContact NE2-CZ 3.49Å |
| 132 | R | 98.1 | Very high | 96.8 | Very high | 123 Ų | 123 | 50.2 Ų | 50.2 | 46% | 0.464 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.6 | -42.4 | -179.5 | -74 | -172.5 | -60.2 | -87.6 | 2.4 | 112 | E92 P128 L129 L130 G136 | E92-R132 WeakPolarHBondContact OE1-CB 3.4Å; E92-R132 IonicContact OE1-CZ 2.75Å; E92-R132 IonicContact OE1-NE 3.52Å; E92-R132 PolarHBondContact OE1-NE 3.33Å; E92-R132 IonicContact OE1-NH2 3.53Å; E92-R132 IonicContact OE2-CZ 3.55Å; E92-R132 IonicContact OE2-NE 2.78Å; E92-R132 PolarHBondContact OE2-NE 3.05Å; E92-R132 IonicContact OE2-NH2 2.85Å; E92-R132 PolarHBondContact OE2-NH2 3.44Å; P128-R132 WeakPolarHBondContact O-CG 3.46Å; P128-R132 PolarHBondContact O-N 3.33Å; P128-R132 PolarHBondContact O-NH1 2.9Å; L129-R132 PolarHBondContact O-N 3.41Å; L129-R132 VanDerWaalsContact O-N 3.14Å; L130-R132 PolarHBondContact O-N 2.63Å; R132-G136 PolarHBondContact O-N 2.96Å |
| 133 | L | 98.3 | Very high | 96.9 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.3 | -43.6 | 174.6 | -68.3 | 180 | 0 | 0 | 0 | 112.1 | E92 A95 A96 L129 L130 H131 T135 G136 S141 R142 A145 L148 | E92-L133 HydrophobicContact CG-CD2 4.07Å; E92-L133 HydrophobicContact CG-CG 4.29Å; A95-L133 HydrophobicContact CB-CD1 4.29Å; A96-L133 HydrophobicContact CB-CD2 4.41Å; L129-L133 HydrophobicContact CD2-CD1 3.65Å; L129-L133 HydrophobicContact CD2-CG 4.31Å; L129-L133 HydrophobicContact CG-CD1 4.47Å; L129-L133 PolarHBondContact O-N 3.13Å; L130-L133 PolarHBondContact O-N 2.92Å; H131-L133 VanDerWaalsContact C-N 3.34Å; H131-L133 PolarHBondContact O-N 3.23Å; L133-T135 VanDerWaalsContact C-N 3.31Å; L133-T135 PolarHBondContact O-N 2.83Å; L133-G136 PolarHBondContact O-N 2.86Å; L133-S141 CarbonylContact O-C 3.58Å; L133-S141 PolarHBondContact O-OG 3.17Å; L133-R142 WeakPolarHBondContact O-CA 3.35Å; L133-R142 WeakPolarHBondContact O-CG 3.43Å; L133-R142 PolarHBondContact O-N 3.1Å; L133-A145 HydrophobicContact CB-CB 3.84Å; L133-L148 HydrophobicContact CD1-CD1 3.88Å |
| 134 | A | 98.1 | Very high | 97.1 | Very high | 7 Ų | 7 | 49.9 Ų | 49.9 | 6% | 0.058 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.5 | -26.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.4 | L130 H131 A145 F149 F167 L171 | L130-A134 VanDerWaalsContact O-CB 3.24Å; L130-A134 WeakPolarHBondContact O-CB 3.36Å; L130-A134 PolarHBondContact O-N 3.18Å; H131-A134 PolarHBondContact O-N 3.28Å; A134-A145 HydrophobicContact CB-CB 3.92Å; A134-F149 HydrophobicContact CB-CZ 4.5Å; A134-F167 HydrophobicContact CB-CB 4.2Å; A134-F167 HydrophobicContact CB-CG 4.2Å; A134-L171 HydrophobicContact CB-CD1 4.28Å |
| 135 | T | 97 | Very high | 97.2 | Very high | 64 Ų | 64 | 43.4 Ų | 43.4 | 39% | 0.393 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 8.1 | 178.6 | 64.8 | 0 | 0 | 0 | 0 | 113.6 | H131 L133 F167 | H131-T135 PolarHBondContact ND1-OG1 3.33Å; H131-T135 PolarHBondContact O-N 3.44Å; H131-T135 PolarHBondContact O-OG1 2.98Å; L133-T135 VanDerWaalsContact C-N 3.31Å; L133-T135 PolarHBondContact O-N 2.83Å; T135-F167 HydrophobicContact CG2-CD1 4.03Å; T135-F167 HydrophobicContact CG2-CE1 3.58Å; T135-F167 HydrophobicContact CG2-CZ 4.26Å |
| 136 | G | 94.6 | Very high | 97.3 | Very high | 18 Ų | 18 | 39.9 Ų | 39.9 | 19% | 0.186 | 19% | 0.194 | C | C | . | . | trans | -66 | 145.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | R132 L133 W138 S141 R142 | R132-G136 PolarHBondContact O-N 2.96Å; L133-G136 PolarHBondContact O-N 2.86Å; G136-W138 PolarHBondContact O-N 3.29Å; G136-S141 WeakPolarHBondContact CA-OG 3.44Å; G136-R142 WeakPolarHBondContact O-CD 3.48Å; G136-R142 WeakPolarHBondContact O-CG 3.49Å; G136-R142 PolarHBondContact O-NE 2.7Å | ||
| 137 | D | 94 | Very high | 97.3 | Very high | 153 Ų | 153 | 40.4 Ų | 40.4 | 82% | 0.818 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -63.5 | -33.9 | -178.2 | -64 | -37.2 | 0 | 0 | 0 | 112.1 | ||
| 138 | W | 94.9 | Very high | 97.4 | Very high | 174 Ų | 174 | 39.9 Ų | 39.9 | 66% | 0.659 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -87.7 | 137.3 | -178.3 | -64.6 | 94.3 | 0 | 0 | 0 | 111.8 | G136 T140 S141 | G136-W138 PolarHBondContact O-N 3.29Å; W138-T140 PolarHBondContact O-N 3.3Å; W138-S141 PolarHBondContact O-N 3.37Å; W138-S141 PolarHBondContact O-OG 3.19Å |
| 139 | F | 96.6 | Very high | 97.4 | Very high | 67 Ų | 67 | 38 Ų | 38 | 29% | 0.294 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.2 | -23.6 | -178.9 | 72.7 | -92.8 | 0 | 0 | 0 | 113.6 | R142 T143 T176 M178 V179 | F139-R142 PolarHBondContact O-N 3.01Å; F139-T143 VanDerWaalsContact O-CB 3.31Å; F139-T143 WeakPolarHBondContact O-CB 3.37Å; F139-T143 PolarHBondContact O-N 2.8Å; F139-T143 PolarHBondContact O-OG1 3.04Å; F139-T176 HydrophobicContact CB-CG2 3.71Å; F139-T176 HydrophobicContact CD1-CG2 4.46Å; F139-T176 HydrophobicContact CD2-CG2 4.28Å; F139-T176 HydrophobicContact CG-CG2 3.9Å; F139-M178 HydrophobicContact CD2-CB 4.33Å; F139-M178 HydrophobicContact CD2-SD 4.19Å; F139-M178 HydrophobicContact CE2-CE 3.86Å; F139-M178 HydrophobicContact CE2-SD 3.62Å; F139-M178 HydrophobicContact CZ-SD 4.25Å; F139-V179 HydrophobicContact CB-CG2 3.77Å |
| 140 | T | 97 | Very high | 97.3 | Very high | 7 Ų | 7 | 38.4 Ų | 38.4 | 4% | 0.043 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.6 | -51.1 | 178.5 | 53.5 | 0 | 0 | 0 | 0 | 110.9 | A96 W138 R142 T143 S144 | A96-T140 WeakPolarHBondContact O-CB 3.39Å; A96-T140 PolarHBondContact O-OG1 2.82Å; W138-T140 PolarHBondContact O-N 3.3Å; T140-R142 PolarHBondContact O-N 3.12Å; T140-T143 WeakPolarHBondContact O-CB 3.35Å; T140-T143 PolarHBondContact O-N 3.37Å; T140-S144 PolarHBondContact O-N 3.41Å; T140-S144 PolarHBondContact O-OG 3.43Å |
| 141 | S | 97.6 | Very high | 97.2 | Very high | 10 Ų | 10 | 39.7 Ų | 39.7 | 7% | 0.07 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.2 | -45.7 | 176 | 67.2 | 0 | 0 | 0 | 0 | 112.2 | L133 G136 W138 T143 S144 A145 | L133-S141 CarbonylContact O-C 3.58Å; L133-S141 PolarHBondContact O-OG 3.17Å; G136-S141 WeakPolarHBondContact CA-OG 3.44Å; W138-S141 PolarHBondContact O-N 3.37Å; W138-S141 PolarHBondContact O-OG 3.19Å; S141-T143 VanDerWaalsContact C-N 3.32Å; S141-T143 PolarHBondContact O-N 3.5Å; S141-S144 WeakPolarHBondContact O-CB 3.11Å; S141-S144 PolarHBondContact O-N 3.46Å; S141-A145 PolarHBondContact O-N 2.99Å |
| 142 | R | 98.2 | Very high | 97.2 | Very high | 48 Ų | 48 | 36.1 Ų | 36.1 | 18% | 0.181 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.6 | -34.9 | 178.1 | -65.8 | -170.9 | -66.8 | 157.9 | 22.3 | 112.6 | L133 G136 F139 T140 C146 L171 D174 V179 | L133-R142 WeakPolarHBondContact O-CA 3.35Å; L133-R142 WeakPolarHBondContact O-CG 3.43Å; L133-R142 PolarHBondContact O-N 3.1Å; G136-R142 WeakPolarHBondContact O-CD 3.48Å; G136-R142 WeakPolarHBondContact O-CG 3.49Å; G136-R142 PolarHBondContact O-NE 2.7Å; F139-R142 PolarHBondContact O-N 3.01Å; T140-R142 PolarHBondContact O-N 3.12Å; R142-C146 PolarHBondContact O-SG 3.42Å; R142-L171 HydrophobicContact CB-CD2 3.73Å; R142-L171 HydrophobicContact CG-CD2 4.07Å; R142-D174 IonicContact CZ-OD1 3.41Å; R142-D174 IonicContact CZ-OD2 2.66Å; R142-D174 IonicContact NE-OD2 2.7Å; R142-D174 IonicContact NH1-OD1 3.45Å; R142-D174 PolarHBondContact NH1-OD1 3.45Å; R142-D174 IonicContact NH1-OD2 3.4Å; R142-D174 PolarHBondContact NH1-OD2 3.48Å; R142-D174 IonicContact NH2-OD1 2.79Å; R142-D174 PolarHBondContact NH2-OD1 3.27Å; R142-D174 IonicContact NH2-OD2 3.51Å; R142-D174 PolarHBondContact NH2-OD2 3.31Å; R142-V179 HydrophobicContact CB-CG1 4.1Å; R142-V179 HydrophobicContact CB-CG2 4.03Å |
| 143 | T | 97.9 | Very high | 97.1 | Very high | 24 Ų | 24 | 30.3 Ų | 30.3 | 15% | 0.147 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.1 | -46.9 | 173.3 | -59.7 | 0 | 0 | 0 | 0 | 110.5 | F139 T140 S141 A145 C146 A182 | F139-T143 VanDerWaalsContact O-CB 3.31Å; F139-T143 WeakPolarHBondContact O-CB 3.37Å; F139-T143 PolarHBondContact O-N 2.8Å; F139-T143 PolarHBondContact O-OG1 3.04Å; T140-T143 WeakPolarHBondContact O-CB 3.35Å; T140-T143 PolarHBondContact O-N 3.37Å; S141-T143 VanDerWaalsContact C-N 3.32Å; S141-T143 PolarHBondContact O-N 3.5Å; T143-A145 PolarHBondContact O-N 3.48Å; T143-C146 VanDerWaalsContact O-CB 3.32Å; T143-C146 WeakPolarHBondContact O-CB 3.18Å; T143-C146 PolarHBondContact O-N 2.81Å; T143-A182 HydrophobicContact CG2-CB 3.79Å |
| 144 | S | 98.2 | Very high | 96.9 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 4% | 0.035 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.3 | -41.2 | 176.5 | -67.7 | 0 | 0 | 0 | 0 | 113.4 | A95 R103 T140 S141 C146 A147 | A95-S144 VanDerWaalsContact O-CB 3.29Å; A95-S144 WeakPolarHBondContact O-CB 3.27Å; A95-S144 PolarHBondContact O-OG 3.5Å; R103-S144 WeakPolarHBondContact CD-OG 3.48Å; R103-S144 WeakPolarHBondContact CG-OG 3.27Å; T140-S144 PolarHBondContact O-N 3.41Å; T140-S144 PolarHBondContact O-OG 3.43Å; S141-S144 WeakPolarHBondContact O-CB 3.11Å; S141-S144 PolarHBondContact O-N 3.46Å; S144-C146 PolarHBondContact O-N 3.39Å; S144-A147 PolarHBondContact O-N 3.21Å; S144-A147 VanDerWaalsContact O-N 3.16Å |
| 145 | A | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -53.7 | -37.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L130 L133 A134 S141 T143 A147 L148 F149 | L130-A145 HydrophobicContact CD1-CB 3.75Å; L130-A145 WeakPolarHBondContact CD1-O 3.5Å; L133-A145 HydrophobicContact CB-CB 3.84Å; A134-A145 HydrophobicContact CB-CB 3.92Å; S141-A145 PolarHBondContact O-N 2.99Å; T143-A145 PolarHBondContact O-N 3.48Å; A145-A147 PolarHBondContact O-N 3.02Å; A145-A147 VanDerWaalsContact O-N 3.16Å; A145-L148 PolarHBondContact O-N 3.17Å; A145-F149 VanDerWaalsContact O-CD2 3.26Å; A145-F149 WeakPolarHBondContact O-CD2 3.3Å; A145-F149 WeakPolarHBondContact O-CE2 3.46Å |
| 146 | C | 98.3 | Very high | 96.7 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.02 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.3 | -35 | -177.7 | -63 | 0 | 0 | 0 | 0 | 112.8 | R142 T143 S144 L148 A182 V183 R186 | R142-C146 PolarHBondContact O-SG 3.42Å; T143-C146 VanDerWaalsContact O-CB 3.32Å; T143-C146 WeakPolarHBondContact O-CB 3.18Å; T143-C146 PolarHBondContact O-N 2.81Å; S144-C146 PolarHBondContact O-N 3.39Å; C146-L148 VanDerWaalsContact C-N 3.3Å; C146-L148 PolarHBondContact O-N 3.37Å; C146-A182 HydrophobicContact CB-CB 3.79Å; C146-V183 WeakPolarHBondContact SG-CG2 3.43Å; C146-R186 WeakPolarHBondContact O-CB 3.21Å |
| 147 | A | 97.5 | Very high | 96.6 | Very high | 11 Ų | 11 | 32.8 Ų | 32.8 | 9% | 0.091 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -4.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V107 R111 S144 A145 | V107-A147 HydrophobicContact CG1-CB 3.52Å; R111-A147 PolarHBondContact NH1-O 2.83Å; S144-A147 PolarHBondContact O-N 3.21Å; S144-A147 VanDerWaalsContact O-N 3.16Å; A145-A147 PolarHBondContact O-N 3.02Å; A145-A147 VanDerWaalsContact O-N 3.16Å |
| 148 | L | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -15 | -177.3 | -60.1 | 178.1 | 0 | 0 | 0 | 113.1 | V107 L110 R111 F126 L129 L130 L133 A145 C146 S150 V151 V152 | V107-L148 HydrophobicContact CG1-CD2 4.32Å; L110-L148 HydrophobicContact CB-CD2 4.01Å; L110-L148 HydrophobicContact CD1-CD1 4.13Å; R111-L148 HydrophobicContact CG-CD2 3.86Å; F126-L148 HydrophobicContact CE1-CD1 4.45Å; F126-L148 HydrophobicContact CE1-CD2 4.44Å; L129-L148 HydrophobicContact CD2-CD1 3.9Å; L130-L148 HydrophobicContact CD1-CB 3.89Å; L130-L148 HydrophobicContact CD1-CD1 4.45Å; L130-L148 HydrophobicContact CD2-CB 4.35Å; L133-L148 HydrophobicContact CD1-CD1 3.88Å; A145-L148 PolarHBondContact O-N 3.17Å; C146-L148 VanDerWaalsContact C-N 3.3Å; C146-L148 PolarHBondContact O-N 3.37Å; L148-S150 PolarHBondContact O-N 2.92Å; L148-V151 HydrophobicContact CB-CG2 4.49Å; L148-V151 HydrophobicContact CD2-CG2 4.41Å; L148-V151 WeakPolarHBondContact O-CG2 3.49Å; L148-V151 PolarHBondContact O-N 3.01Å; L148-V152 WeakPolarHBondContact O-CG2 3.47Å; L148-V152 PolarHBondContact O-N 3.16Å; L148-V152 VanDerWaalsContact O-N 3.1Å |
| 149 | F | 98 | Very high | 96.3 | Very high | 4 Ų | 4 | 21.4 Ų | 21.4 | 2% | 0.018 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.6 | -45.4 | -178.9 | -75.1 | -78.3 | 0 | 0 | 0 | 113 | L130 A134 A145 V151 V152 Y153 L164 F167 L168 L171 L190 | L130-F149 HydrophobicContact CD1-CE2 4.46Å; L130-F149 HydrophobicContact CD1-CZ 4.42Å; L130-F149 HydrophobicContact CD2-CD1 4.18Å; L130-F149 HydrophobicContact CD2-CE1 4.37Å; A134-F149 HydrophobicContact CB-CZ 4.5Å; A145-F149 VanDerWaalsContact O-CD2 3.26Å; A145-F149 WeakPolarHBondContact O-CD2 3.3Å; A145-F149 WeakPolarHBondContact O-CE2 3.46Å; F149-V151 VanDerWaalsContact C-N 3.26Å; F149-V151 PolarHBondContact O-N 3Å; F149-V152 PolarHBondContact O-N 2.79Å; F149-Y153 WeakPolarHBondContact O-CB 3.45Å; F149-Y153 PolarHBondContact O-N 2.67Å; F149-L164 HydrophobicContact CD1-CB 4.05Å; F149-L164 HydrophobicContact CD1-CD2 4.16Å; F149-L164 HydrophobicContact CE1-CB 4.1Å; F149-L164 HydrophobicContact CE1-CD2 3.98Å; F149-L164 VanDerWaalsContact CE1-O 3.26Å; F149-L164 WeakPolarHBondContact CE1-O 3.3Å; F149-F167 HydrophobicContact CE1-CB 4.09Å; F149-F167 HydrophobicContact CZ-CB 3.92Å; F149-L168 HydrophobicContact CD2-CD1 4.19Å; F149-L168 HydrophobicContact CE2-CD1 4.32Å; F149-L171 HydrophobicContact CE2-CD1 3.64Å; F149-L171 HydrophobicContact CZ-CD1 3.78Å; F149-L190 HydrophobicContact CB-CD1 4.28Å; F149-L190 HydrophobicContact CB-CD2 4.26Å |
| 150 | S | 96.7 | Very high | 96.2 | Very high | 9 Ų | 9 | 20.8 Ų | 20.8 | 6% | 0.063 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.1 | -27.9 | -177.6 | 56.7 | 0 | 0 | 0 | 0 | 113.5 | R111 L148 P154 E189 A193 | R111-S150 PolarHBondContact NH1-OG 3.12Å; L148-S150 PolarHBondContact O-N 2.92Å; S150-P154 VanDerWaalsContact O-CD 3.23Å; S150-P154 WeakPolarHBondContact O-CD 3.47Å; S150-E189 WeakPolarHBondContact CB-OE1 3.06Å; S150-E189 PolarHBondContact OG-OE1 3.49Å; S150-A193 WeakPolarHBondContact O-CB 3.19Å |
| 151 | V | 96 | Very high | 96.1 | Very high | 28 Ų | 28 | 20.5 Ų | 20.5 | 17% | 0.17 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -90.1 | -28.1 | 179.6 | -60.2 | 0 | 0 | 0 | 0 | 113.2 | R111 A114 L148 F149 | R111-V151 HydrophobicContact CG-CG1 4.39Å; R111-V151 HydrophobicContact CG-CG2 4.46Å; A114-V151 HydrophobicContact CB-CB 4.19Å; A114-V151 HydrophobicContact CB-CG2 4.22Å; L148-V151 HydrophobicContact CB-CG2 4.49Å; L148-V151 HydrophobicContact CD2-CG2 4.41Å; L148-V151 WeakPolarHBondContact O-CG2 3.49Å; L148-V151 PolarHBondContact O-N 3.01Å; F149-V151 VanDerWaalsContact C-N 3.26Å; F149-V151 PolarHBondContact O-N 3Å |
| 152 | V | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -87.8 | -43.4 | -179.6 | -179.6 | 0 | 0 | 0 | 0 | 111.8 | M122 F126 N127 L130 L148 F149 R155 V156 L164 | M122-V152 HydrophobicContact CG-CG1 4.48Å; M122-V152 HydrophobicContact SD-CB 4.46Å; M122-V152 HydrophobicContact SD-CG1 4.32Å; M122-V152 HydrophobicContact SD-CG2 4.03Å; F126-V152 HydrophobicContact CD1-CG2 3.54Å; F126-V152 HydrophobicContact CE1-CG2 3.72Å; N127-V152 HydrophobicContact CB-CG1 4.21Å; L130-V152 HydrophobicContact CD2-CB 3.85Å; L130-V152 HydrophobicContact CD2-CG1 4.13Å; L130-V152 HydrophobicContact CD2-CG2 3.81Å; L148-V152 WeakPolarHBondContact O-CG2 3.47Å; L148-V152 PolarHBondContact O-N 3.16Å; L148-V152 VanDerWaalsContact O-N 3.1Å; F149-V152 PolarHBondContact O-N 2.79Å; V152-R155 PolarHBondContact O-N 2.93Å; V152-V156 HydrophobicContact CG1-CG1 3.71Å; V152-V156 PolarHBondContact O-N 2.85Å; V152-L164 HydrophobicContact CB-CD1 4.46Å; V152-L164 HydrophobicContact CG1-CD1 4.01Å |
| 153 | Y | 96.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -48.5 | -50 | -175.8 | -171 | -83.9 | 0 | 0 | 0 | 115 | F149 R155 R161 L164 L165 L190 M194 L276 E281 | F149-Y153 WeakPolarHBondContact O-CB 3.45Å; F149-Y153 PolarHBondContact O-N 2.67Å; Y153-R155 PolarHBondContact O-N 2.87Å; Y153-R155 VanDerWaalsContact O-N 3.08Å; Y153-R161 HydrophobicContact CD1-CG 4.33Å; Y153-R161 HydrophobicContact CD2-CB 4.17Å; Y153-R161 HydrophobicContact CD2-CG 4.11Å; Y153-R161 HydrophobicContact CE1-CB 4.43Å; Y153-R161 HydrophobicContact CE1-CG 4.03Å; Y153-R161 HydrophobicContact CE2-CB 3.51Å; Y153-R161 HydrophobicContact CE2-CG 3.8Å; Y153-R161 HydrophobicContact CG-CG 4.35Å; Y153-R161 PolarHBondContact O-NE 3.1Å; Y153-L164 HydrophobicContact CD2-CB 4.32Å; Y153-L164 HydrophobicContact CD2-CD1 4.2Å; Y153-L165 HydrophobicContact CE2-CD1 3.92Å; Y153-L165 HydrophobicContact CE2-CD2 4.04Å; Y153-L165 HydrophobicContact CE2-CG 3.77Å; Y153-L190 HydrophobicContact CD2-CD1 4.41Å; Y153-L190 HydrophobicContact CG-CD1 4.04Å; Y153-M194 HydrophobicContact CD1-CG 3.66Å; Y153-M194 HydrophobicContact CE1-CB 4.43Å; Y153-M194 HydrophobicContact CE1-CE 4.08Å; Y153-M194 HydrophobicContact CE1-CG 3.5Å; Y153-M194 VanDerWaalsContact CE1-CG 3.5Å; Y153-M194 HydrophobicContact CE1-SD 4.21Å; Y153-M194 HydrophobicContact CG-CG 4.4Å; Y153-L276 HydrophobicContact CD1-CD2 4.2Å; Y153-L276 HydrophobicContact CE1-CD2 3.87Å; Y153-E281 VanDerWaalsContact CE1-OE2 3.31Å; Y153-E281 WeakPolarHBondContact CE1-OE2 3.5Å; Y153-E281 VanDerWaalsContact CZ-OE2 3.29Å; Y153-E281 PolarHBondContact OH-OE2 3.42Å |
| 154 | P | 94.6 | Very high | 95.8 | Very high | 22 Ų | 22 | 25.7 Ų | 25.7 | 14% | 0.143 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -68.7 | -7.1 | -177.9 | 26.6 | -35.2 | 0 | 0 | 0 | 114.6 | S150 Q198 L276 | S150-P154 VanDerWaalsContact O-CD 3.23Å; S150-P154 WeakPolarHBondContact O-CD 3.47Å; P154-Q198 PolarHBondContact O-NE2 3.32Å; P154-L276 HydrophobicContact CB-CD1 3.98Å |
| 155 | R | 94.4 | Very high | 95.8 | Very high | 56 Ų | 56 | 25.5 Ų | 25.5 | 21% | 0.211 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -124 | 12.1 | -168.2 | -64.5 | 175.2 | 74.7 | 162.3 | 11.2 | 114.2 | A114 P115 H117 M122 V152 Y153 | A114-R155 VanDerWaalsContact O-CZ 3.28Å; A114-R155 PolarHBondContact O-NH1 3.42Å; A114-R155 PolarHBondContact O-NH2 3.2Å; P115-R155 VanDerWaalsContact CA-NH1 3.3Å; P115-R155 PolarHBondContact O-NH2 3.36Å; P115-R155 VanDerWaalsContact O-NH2 3.16Å; H117-R155 PolarHBondContact O-NH2 3.34Å; M122-R155 HydrophobicContact CB-CB 4.46Å; M122-R155 HydrophobicContact CG-CB 3.85Å; V152-R155 PolarHBondContact O-N 2.93Å; Y153-R155 PolarHBondContact O-N 2.87Å; Y153-R155 VanDerWaalsContact O-N 3.08Å |
| 156 | V | 95 | Very high | 95.7 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -121.1 | 160.5 | 173.6 | -61.4 | 0 | 0 | 0 | 0 | 110.4 | M122 E123 N127 V152 K160 R161 L164 | M122-V156 HydrophobicContact CG-CG1 4.17Å; E123-V156 HydrophobicContact CB-CG1 4.38Å; N127-V156 HydrophobicContact CB-CG1 4.15Å; V152-V156 HydrophobicContact CG1-CG1 3.71Å; V152-V156 PolarHBondContact O-N 2.85Å; V156-K160 HydrophobicContact CB-CB 3.86Å; V156-K160 HydrophobicContact CG2-CB 3.81Å; V156-R161 HydrophobicContact CG2-CG 3.92Å; V156-R161 VanDerWaalsContact O-CZ 3.27Å; V156-R161 PolarHBondContact O-NE 2.76Å; V156-R161 PolarHBondContact O-NH2 3.19Å; V156-L164 HydrophobicContact CG2-CD1 3.89Å |
| 157 | R | 93.5 | Very high | 95.7 | Very high | 67 Ų | 67 | 27.8 Ų | 27.8 | 25% | 0.253 | 14% | 0.136 | S | C | . | . | trans | -64.9 | 162.6 | 178.5 | -72.5 | 178.5 | 179.5 | 92.2 | 7.7 | 113.6 | E123 S159 K160 R161 D272 F274 | E123-R157 VanDerWaalsContact CD-NH1 3.27Å; E123-R157 IonicContact OE1-CZ 3.16Å; E123-R157 IonicContact OE1-NH1 2.69Å; E123-R157 PolarHBondContact OE1-NH1 3.35Å; E123-R157 WeakPolarHBondContact OE2-CB 3.31Å; E123-R157 VanDerWaalsContact OE2-CG 3.3Å; E123-R157 WeakPolarHBondContact OE2-CG 3.39Å; E123-R157 PolarHBondContact OE2-N 3.43Å; E123-R157 IonicContact OE2-NH1 3.05Å; E123-R157 PolarHBondContact OE2-NH1 3.16Å; R157-S159 VanDerWaalsContact C-N 3.27Å; R157-S159 PolarHBondContact O-N 3.3Å; R157-K160 PolarHBondContact O-N 3.08Å; R157-R161 PolarHBondContact O-N 3.46Å; R157-D272 WeakPolarHBondContact CD-O 3.33Å; R157-D272 PolarHBondContact NE-O 3.09Å; R157-F274 HydrophobicContact CG-CD1 4.21Å; R157-F274 HydrophobicContact CG-CE1 4.03Å; R157-F274 HydrophobicContact CG-CZ 4.47Å | ||
| 158 | S | 91.2 | Very high | 95.7 | Very high | 32 Ų | 32 | 27.5 Ų | 27.5 | 22% | 0.224 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -51.5 | -40.2 | 179.4 | -88.6 | 0 | 0 | 0 | 0 | 114.1 | W162 K280 | S158-W162 PolarHBondContact O-N 2.87Å; S158-K280 PolarHBondContact OG-NZ 2.77Å |
| 159 | S | 91.3 | Very high | 95.7 | Very high | 55 Ų | 55 | 30.9 Ų | 30.9 | 39% | 0.385 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -62.2 | -44.1 | 177.4 | 54.4 | 0 | 0 | 0 | 0 | 111.8 | R157 W162 E163 | R157-S159 VanDerWaalsContact C-N 3.27Å; R157-S159 PolarHBondContact O-N 3.3Å; S159-W162 PolarHBondContact O-N 2.94Å; S159-E163 PolarHBondContact O-N 3.42Å |
| 160 | K | 94.5 | Very high | 95.7 | Very high | 54 Ų | 54 | 37.9 Ų | 37.9 | 24% | 0.235 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -71.7 | -36.5 | 178.3 | -61.9 | -48.2 | -173.1 | -175.4 | 0 | 113.1 | E123 V156 R157 W162 E163 L164 | E123-K160 HydrophobicContact CG-CG 4.19Å; V156-K160 HydrophobicContact CB-CB 3.86Å; V156-K160 HydrophobicContact CG2-CB 3.81Å; R157-K160 PolarHBondContact O-N 3.08Å; K160-W162 VanDerWaalsContact C-N 3.26Å; K160-W162 PolarHBondContact O-N 2.97Å; K160-E163 VanDerWaalsContact CD-OE2 3.27Å; K160-E163 WeakPolarHBondContact CD-OE2 3.29Å; K160-E163 IonicContact NZ-OE1 3Å; K160-E163 PolarHBondContact NZ-OE1 2.89Å; K160-E163 IonicContact NZ-OE2 3.98Å; K160-E163 PolarHBondContact NZ-OE2 3.19Å; K160-E163 WeakPolarHBondContact O-CB 3.43Å; K160-E163 PolarHBondContact O-N 2.91Å; K160-E163 VanDerWaalsContact O-N 3.14Å; K160-L164 WeakPolarHBondContact O-CG 3.39Å; K160-L164 PolarHBondContact O-N 2.89Å |
| 161 | R | 95.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -54.9 | -43 | 171.3 | -72 | -179.2 | -160.1 | 147.5 | 9.7 | 112.2 | Y153 V156 R157 L164 L165 F274 T275 E281 | Y153-R161 HydrophobicContact CD1-CG 4.33Å; Y153-R161 HydrophobicContact CD2-CB 4.17Å; Y153-R161 HydrophobicContact CD2-CG 4.11Å; Y153-R161 HydrophobicContact CE1-CB 4.43Å; Y153-R161 HydrophobicContact CE1-CG 4.03Å; Y153-R161 HydrophobicContact CE2-CB 3.51Å; Y153-R161 HydrophobicContact CE2-CG 3.8Å; Y153-R161 HydrophobicContact CG-CG 4.35Å; Y153-R161 PolarHBondContact O-NE 3.1Å; V156-R161 HydrophobicContact CG2-CG 3.92Å; V156-R161 VanDerWaalsContact O-CZ 3.27Å; V156-R161 PolarHBondContact O-NE 2.76Å; V156-R161 PolarHBondContact O-NH2 3.19Å; R157-R161 PolarHBondContact O-N 3.46Å; R161-L164 WeakPolarHBondContact O-CB 3.31Å; R161-L164 PolarHBondContact O-N 3.47Å; R161-L165 WeakPolarHBondContact O-CG 3.35Å; R161-L165 PolarHBondContact O-N 3.03Å; R161-F274 PolarHBondContact NH2-O 3.42Å; R161-T275 PolarHBondContact NH1-O 2.82Å; R161-T275 PolarHBondContact NH2-O 3.49Å; R161-T275 VanDerWaalsContact NH2-O 3.1Å; R161-E281 IonicContact NH1-OE1 3.38Å; R161-E281 PolarHBondContact NH1-OE1 3.06Å |
| 162 | W | 93.8 | Very high | 95.9 | Very high | 128 Ų | 128 | 36.2 Ų | 36.2 | 49% | 0.485 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -65 | -41.3 | 177.7 | -170.6 | 94.2 | 0 | 0 | 0 | 112.2 | S158 S159 K160 L164 L165 D166 | S158-W162 PolarHBondContact O-N 2.87Å; S159-W162 PolarHBondContact O-N 2.94Å; K160-W162 VanDerWaalsContact C-N 3.26Å; K160-W162 PolarHBondContact O-N 2.97Å; W162-L164 VanDerWaalsContact C-N 3.33Å; W162-L164 PolarHBondContact O-N 3.43Å; W162-L165 PolarHBondContact O-N 3.35Å; W162-D166 HydrophobicContact CZ3-CB 4.36Å; W162-D166 PolarHBondContact O-N 3.4Å |
| 163 | E | 95.7 | Very high | 95.9 | Very high | 62 Ų | 62 | 42 Ų | 42 | 29% | 0.29 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -58.8 | -44.2 | 173.2 | -67.6 | 172.4 | -159.1 | 0 | 0 | 111.4 | S159 K160 L165 D166 F167 | S159-E163 PolarHBondContact O-N 3.42Å; K160-E163 VanDerWaalsContact CD-OE2 3.27Å; K160-E163 WeakPolarHBondContact CD-OE2 3.29Å; K160-E163 IonicContact NZ-OE1 3Å; K160-E163 PolarHBondContact NZ-OE1 2.89Å; K160-E163 IonicContact NZ-OE2 3.98Å; K160-E163 PolarHBondContact NZ-OE2 3.19Å; K160-E163 WeakPolarHBondContact O-CB 3.43Å; K160-E163 PolarHBondContact O-N 2.91Å; K160-E163 VanDerWaalsContact O-N 3.14Å; E163-L165 PolarHBondContact O-N 3.12Å; E163-D166 WeakPolarHBondContact O-CB 3.41Å; E163-D166 PolarHBondContact O-N 3.22Å; E163-D166 VanDerWaalsContact O-N 3.14Å; E163-F167 HydrophobicContact CB-CE2 4.42Å; E163-F167 VanDerWaalsContact O-CD2 3.32Å; E163-F167 WeakPolarHBondContact O-CD2 3.22Å; E163-F167 PolarHBondContact O-N 2.91Å |
| 164 | L | 97.7 | Very high | 96 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.7 | -42.5 | 177.1 | -67.9 | 179.5 | 0 | 0 | 0 | 112.4 | L130 F149 V152 Y153 V156 K160 R161 W162 D166 F167 L168 | L130-L164 HydrophobicContact CD2-CD2 3.55Å; L130-L164 HydrophobicContact CG-CD2 4.11Å; F149-L164 HydrophobicContact CD1-CB 4.05Å; F149-L164 HydrophobicContact CD1-CD2 4.16Å; F149-L164 HydrophobicContact CE1-CB 4.1Å; F149-L164 HydrophobicContact CE1-CD2 3.98Å; F149-L164 VanDerWaalsContact CE1-O 3.26Å; F149-L164 WeakPolarHBondContact CE1-O 3.3Å; V152-L164 HydrophobicContact CB-CD1 4.46Å; V152-L164 HydrophobicContact CG1-CD1 4.01Å; Y153-L164 HydrophobicContact CD2-CB 4.32Å; Y153-L164 HydrophobicContact CD2-CD1 4.2Å; V156-L164 HydrophobicContact CG2-CD1 3.89Å; K160-L164 WeakPolarHBondContact O-CG 3.39Å; K160-L164 PolarHBondContact O-N 2.89Å; R161-L164 WeakPolarHBondContact O-CB 3.31Å; R161-L164 PolarHBondContact O-N 3.47Å; W162-L164 VanDerWaalsContact C-N 3.33Å; W162-L164 PolarHBondContact O-N 3.43Å; L164-D166 VanDerWaalsContact C-N 3.29Å; L164-D166 PolarHBondContact O-N 3.5Å; L164-F167 HydrophobicContact CD2-CD2 4.47Å; L164-F167 PolarHBondContact O-N 3Å; L164-L168 WeakPolarHBondContact O-CB 3.25Å; L164-L168 PolarHBondContact O-N 3.01Å |
| 165 | L | 97.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.6 | -32.2 | 176.1 | -67 | 168.2 | 0 | 0 | 0 | 112 | Y153 R161 W162 E163 L168 R169 M194 Y284 I288 L289 | Y153-L165 HydrophobicContact CE2-CD1 3.92Å; Y153-L165 HydrophobicContact CE2-CD2 4.04Å; Y153-L165 HydrophobicContact CE2-CG 3.77Å; R161-L165 WeakPolarHBondContact O-CG 3.35Å; R161-L165 PolarHBondContact O-N 3.03Å; W162-L165 PolarHBondContact O-N 3.35Å; E163-L165 PolarHBondContact O-N 3.12Å; L165-L168 HydrophobicContact CD2-CD2 4.45Å; L165-R169 WeakPolarHBondContact O-CG 3.26Å; L165-R169 PolarHBondContact O-N 3.03Å; L165-M194 HydrophobicContact CD2-SD 4.47Å; L165-Y284 HydrophobicContact CD1-CD2 3.79Å; L165-Y284 HydrophobicContact CD1-CE2 4.25Å; L165-Y284 HydrophobicContact CD1-CG 4.03Å; L165-I288 HydrophobicContact CB-CD1 4.44Å; L165-I288 HydrophobicContact CD1-CD1 3.89Å; L165-L289 HydrophobicContact CD2-CD2 4Å |
| 166 | D | 97.3 | Very high | 96.2 | Very high | 35 Ų | 35 | 48.7 Ų | 48.7 | 19% | 0.187 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.2 | -42.4 | 173.4 | -166.3 | 62.6 | 0 | 0 | 0 | 112 | W162 E163 L164 L168 R169 R170 | W162-D166 HydrophobicContact CZ3-CB 4.36Å; W162-D166 PolarHBondContact O-N 3.4Å; E163-D166 WeakPolarHBondContact O-CB 3.41Å; E163-D166 PolarHBondContact O-N 3.22Å; E163-D166 VanDerWaalsContact O-N 3.14Å; L164-D166 VanDerWaalsContact C-N 3.29Å; L164-D166 PolarHBondContact O-N 3.5Å; D166-L168 VanDerWaalsContact C-N 3.35Å; D166-L168 PolarHBondContact O-N 2.93Å; D166-R169 WeakPolarHBondContact O-CB 3.44Å; D166-R169 PolarHBondContact O-N 3Å; D166-R170 WeakPolarHBondContact O-CG 3.32Å; D166-R170 PolarHBondContact O-N 3.29Å; D166-R170 VanDerWaalsContact O-N 3.15Å; D166-R170 IonicContact OD2-CZ 2.74Å; D166-R170 IonicContact OD2-NE 3.5Å; D166-R170 PolarHBondContact OD2-NE 3.24Å; D166-R170 IonicContact OD2-NH2 3.44Å; D166-R170 PolarHBondContact OD2-NH2 3.2Å |
| 167 | F | 97.8 | Very high | 96.3 | Very high | 17 Ų | 17 | 50.5 Ų | 50.5 | 8% | 0.075 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.5 | -46.2 | 171.9 | -66 | -45.1 | 0 | 0 | 0 | 111.8 | H131 A134 T135 F149 E163 L164 R169 R170 L171 | H131-F167 HydrophobicContact CB-CE2 4.32Å; H131-F167 AromaticContact CD2-CE2 3.6Å; H131-F167 AromaticContact CD2-CZ 3.23Å; H131-F167 WeakPolarHBondContact CD2-CZ 3.25Å; H131-F167 AromaticContact CG-CZ 3.83Å; H131-F167 AromaticContact NE2-CZ 3.4Å; H131-F167 WeakPolarHBondContact NE2-CZ 3.49Å; A134-F167 HydrophobicContact CB-CB 4.2Å; A134-F167 HydrophobicContact CB-CG 4.2Å; T135-F167 HydrophobicContact CG2-CD1 4.03Å; T135-F167 HydrophobicContact CG2-CE1 3.58Å; T135-F167 HydrophobicContact CG2-CZ 4.26Å; F149-F167 HydrophobicContact CE1-CB 4.09Å; F149-F167 HydrophobicContact CZ-CB 3.92Å; E163-F167 HydrophobicContact CB-CE2 4.42Å; E163-F167 VanDerWaalsContact O-CD2 3.32Å; E163-F167 WeakPolarHBondContact O-CD2 3.22Å; E163-F167 PolarHBondContact O-N 2.91Å; L164-F167 HydrophobicContact CD2-CD2 4.47Å; L164-F167 PolarHBondContact O-N 3Å; F167-R169 VanDerWaalsContact C-N 3.28Å; F167-R169 PolarHBondContact O-N 3.4Å; F167-R170 WeakPolarHBondContact O-CB 3.42Å; F167-R170 PolarHBondContact O-N 3.31Å; F167-L171 WeakPolarHBondContact O-CG 3.48Å; F167-L171 PolarHBondContact O-N 2.99Å |
| 168 | L | 97.9 | Very high | 96.5 | Very high | 5 Ų | 5 | 51.7 Ų | 51.7 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.4 | -41.8 | 176.9 | -171.4 | 71.7 | 0 | 0 | 0 | 112.1 | F149 L164 L165 D166 R170 L171 A172 V183 L187 L190 L289 L292 | F149-L168 HydrophobicContact CD2-CD1 4.19Å; F149-L168 HydrophobicContact CE2-CD1 4.32Å; L164-L168 WeakPolarHBondContact O-CB 3.25Å; L164-L168 PolarHBondContact O-N 3.01Å; L165-L168 HydrophobicContact CD2-CD2 4.45Å; D166-L168 VanDerWaalsContact C-N 3.35Å; D166-L168 PolarHBondContact O-N 2.93Å; L168-R170 VanDerWaalsContact C-N 3.33Å; L168-R170 PolarHBondContact O-N 3.47Å; L168-L171 PolarHBondContact O-N 2.82Å; L168-A172 VanDerWaalsContact O-CB 3.31Å; L168-A172 WeakPolarHBondContact O-CB 3.38Å; L168-A172 PolarHBondContact O-N 3.06Å; L168-V183 HydrophobicContact CD1-CG1 3.77Å; L168-V183 HydrophobicContact CD1-CG2 4.46Å; L168-V183 HydrophobicContact CG-CG1 4.43Å; L168-L187 HydrophobicContact CD2-CD1 3.84Å; L168-L190 HydrophobicContact CD2-CD2 3.49Å; L168-L190 VanDerWaalsContact CD2-CD2 3.49Å; L168-L289 HydrophobicContact CD2-CD2 3.49Å; L168-L289 VanDerWaalsContact CD2-CD2 3.49Å; L168-L292 HydrophobicContact CD2-CD1 3.96Å; L168-L292 HydrophobicContact CG-CD1 3.9Å |
| 169 | R | 98 | Very high | 96.8 | Very high | 71 Ų | 71 | 50.1 Ų | 50.1 | 27% | 0.268 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.6 | -37.7 | 176 | -75.2 | -177.9 | -177.3 | 118.6 | -5.9 | 113.1 | L165 D166 F167 K173 I288 L292 | L165-R169 WeakPolarHBondContact O-CG 3.26Å; L165-R169 PolarHBondContact O-N 3.03Å; D166-R169 WeakPolarHBondContact O-CB 3.44Å; D166-R169 PolarHBondContact O-N 3Å; F167-R169 VanDerWaalsContact C-N 3.28Å; F167-R169 PolarHBondContact O-N 3.4Å; R169-K173 WeakPolarHBondContact O-CG 3.27Å; R169-I288 HydrophobicContact CG-CG2 4.15Å; R169-L292 HydrophobicContact CB-CD2 4.46Å; R169-L292 HydrophobicContact CG-CD1 4.11Å; R169-L292 HydrophobicContact CG-CD2 4.12Å; R169-L292 HydrophobicContact CG-CG 4.47Å |
| 170 | R | 97.6 | Very high | 97.2 | Very high | 150 Ų | 150 | 49.3 Ų | 49.3 | 57% | 0.566 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -69.3 | -46.9 | 177.6 | -64.6 | 173.4 | -165.9 | -167.7 | 2.2 | 110.4 | D166 F167 L168 A172 K173 D174 | D166-R170 WeakPolarHBondContact O-CG 3.32Å; D166-R170 PolarHBondContact O-N 3.29Å; D166-R170 VanDerWaalsContact O-N 3.15Å; D166-R170 IonicContact OD2-CZ 2.74Å; D166-R170 IonicContact OD2-NE 3.5Å; D166-R170 PolarHBondContact OD2-NE 3.24Å; D166-R170 IonicContact OD2-NH2 3.44Å; D166-R170 PolarHBondContact OD2-NH2 3.2Å; F167-R170 WeakPolarHBondContact O-CB 3.42Å; F167-R170 PolarHBondContact O-N 3.31Å; L168-R170 VanDerWaalsContact C-N 3.33Å; L168-R170 PolarHBondContact O-N 3.47Å; R170-A172 VanDerWaalsContact C-N 3.33Å; R170-A172 PolarHBondContact O-N 3.08Å; R170-K173 CarbonylContact O-C 3.2Å; R170-K173 WeakPolarHBondContact O-CA 3.29Å; R170-K173 PolarHBondContact O-N 3.42Å; R170-D174 PolarHBondContact O-N 2.84Å; R170-D174 VanDerWaalsContact O-N 3.14Å |
| 171 | L | 98.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.1 | -35.1 | 178.2 | -64.2 | 172.1 | 0 | 0 | 0 | 112.6 | A134 R142 F149 F167 L168 K173 D174 V179 V183 | A134-L171 HydrophobicContact CB-CD1 4.28Å; R142-L171 HydrophobicContact CB-CD2 3.73Å; R142-L171 HydrophobicContact CG-CD2 4.07Å; F149-L171 HydrophobicContact CE2-CD1 3.64Å; F149-L171 HydrophobicContact CZ-CD1 3.78Å; F167-L171 WeakPolarHBondContact O-CG 3.48Å; F167-L171 PolarHBondContact O-N 2.99Å; L168-L171 PolarHBondContact O-N 2.82Å; L171-K173 PolarHBondContact O-N 2.97Å; L171-D174 VanDerWaalsContact O-CB 3.29Å; L171-D174 WeakPolarHBondContact O-CB 3.5Å; L171-D174 PolarHBondContact O-N 2.93Å; L171-V179 HydrophobicContact CB-CG1 4.04Å; L171-V179 HydrophobicContact CD2-CG1 3.61Å; L171-V179 HydrophobicContact CG-CG1 4.41Å; L171-V183 HydrophobicContact CB-CG2 3.59Å |
| 172 | A | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -14.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L168 R170 R180 V183 L292 | L168-A172 VanDerWaalsContact O-CB 3.31Å; L168-A172 WeakPolarHBondContact O-CB 3.38Å; L168-A172 PolarHBondContact O-N 3.06Å; R170-A172 VanDerWaalsContact C-N 3.33Å; R170-A172 PolarHBondContact O-N 3.08Å; A172-R180 WeakPolarHBondContact O-CD 3.41Å; A172-V183 HydrophobicContact CB-CG1 4.08Å; A172-L292 HydrophobicContact CB-CB 4.43Å; A172-L292 HydrophobicContact CB-CD1 4.13Å; A172-L292 HydrophobicContact CB-CD2 3.75Å; A172-L292 HydrophobicContact CB-CG 4.31Å |
| 173 | K | 97.4 | Very high | 97.7 | Very high | 120 Ų | 120 | 46.9 Ų | 46.9 | 52% | 0.522 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | 13.9 | 177.1 | -64.3 | 177.2 | -176.3 | 178.6 | 0 | 111.9 | R169 R170 L171 | R169-K173 WeakPolarHBondContact O-CG 3.27Å; R170-K173 CarbonylContact O-C 3.2Å; R170-K173 WeakPolarHBondContact O-CA 3.29Å; R170-K173 PolarHBondContact O-N 3.42Å; L171-K173 PolarHBondContact O-N 2.97Å |
| 174 | D | 98.2 | Very high | 97.9 | Very high | 12 Ų | 12 | 44 Ų | 44 | 6% | 0.064 | 20% | 0.199 | C | C | . | . | trans | -59.5 | 142 | -177.4 | -152.6 | -81.9 | 0 | 0 | 0 | 111.2 | R142 R170 L171 T176 V179 R180 | R142-D174 IonicContact CZ-OD1 3.41Å; R142-D174 IonicContact CZ-OD2 2.66Å; R142-D174 IonicContact NE-OD2 2.7Å; R142-D174 IonicContact NH1-OD1 3.45Å; R142-D174 PolarHBondContact NH1-OD1 3.45Å; R142-D174 IonicContact NH1-OD2 3.4Å; R142-D174 PolarHBondContact NH1-OD2 3.48Å; R142-D174 IonicContact NH2-OD1 2.79Å; R142-D174 PolarHBondContact NH2-OD1 3.27Å; R142-D174 IonicContact NH2-OD2 3.51Å; R142-D174 PolarHBondContact NH2-OD2 3.31Å; R170-D174 PolarHBondContact O-N 2.84Å; R170-D174 VanDerWaalsContact O-N 3.14Å; L171-D174 VanDerWaalsContact O-CB 3.29Å; L171-D174 WeakPolarHBondContact O-CB 3.5Å; L171-D174 PolarHBondContact O-N 2.93Å; D174-T176 PolarHBondContact O-N 3.24Å; D174-T176 WeakPolarHBondContact OD1-CB 3.22Å; D174-T176 PolarHBondContact OD1-N 3.46Å; D174-V179 HydrophobicContact CB-CB 3.77Å; D174-V179 HydrophobicContact CB-CG1 3.78Å; D174-R180 HydrophobicContact CB-CG 4.05Å; D174-R180 WeakPolarHBondContact O-CD 3.49Å; D174-R180 WeakPolarHBondContact O-CG 3.42Å; D174-R180 PolarHBondContact O-NH1 3.2Å | ||
| 175 | E | 96.9 | Very high | 97.9 | Very high | 167 Ų | 167 | 45.4 Ų | 45.4 | 78% | 0.78 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -65.2 | -27.9 | 175.2 | -61.9 | -59.7 | 158.1 | 0 | 0 | 111.3 | P177 | E175-P177 VanDerWaalsContact O-CD 3.31Å; E175-P177 WeakPolarHBondContact O-CD 3.48Å |
| 176 | T | 97.5 | Very high | 97.8 | Very high | 41 Ų | 41 | 50 Ų | 50 | 25% | 0.252 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -85.1 | 115.2 | 179.5 | -59 | 0 | 0 | 0 | 0 | 111.1 | F139 D174 M178 V179 R180 | F139-T176 HydrophobicContact CB-CG2 3.71Å; F139-T176 HydrophobicContact CD1-CG2 4.46Å; F139-T176 HydrophobicContact CD2-CG2 4.28Å; F139-T176 HydrophobicContact CG-CG2 3.9Å; D174-T176 PolarHBondContact O-N 3.24Å; D174-T176 WeakPolarHBondContact OD1-CB 3.22Å; D174-T176 PolarHBondContact OD1-N 3.46Å; T176-M178 HydrophobicContact CG2-CB 4.19Å; T176-M178 PolarHBondContact O-N 3.05Å; T176-M178 VanDerWaalsContact O-N 3.13Å; T176-V179 HydrophobicContact CG2-CG2 4.31Å; T176-V179 WeakPolarHBondContact O-CB 3.38Å; T176-V179 PolarHBondContact O-N 3.25Å; T176-R180 PolarHBondContact O-N 3.12Å |
| 177 | P | 97.9 | Very high | 97.8 | Very high | 39 Ų | 39 | 48.4 Ų | 48.4 | 25% | 0.253 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.3 | -31.7 | -177.4 | -29.8 | 38.7 | 0 | 0 | 0 | 114.9 | E175 V179 R180 R181 Q301 V304 | E175-P177 VanDerWaalsContact O-CD 3.31Å; E175-P177 WeakPolarHBondContact O-CD 3.48Å; P177-V179 PolarHBondContact O-N 3.22Å; P177-R180 PolarHBondContact O-N 3.19Å; P177-R181 VanDerWaalsContact O-CB 3.28Å; P177-R181 WeakPolarHBondContact O-CB 3.23Å; P177-R181 PolarHBondContact O-N 3.42Å; P177-Q301 HydrophobicContact CB-CB 4.3Å; P177-Q301 HydrophobicContact CB-CG 3.81Å; P177-Q301 HydrophobicContact CG-CG 3.78Å; P177-V304 HydrophobicContact CB-CG2 4.46Å |
| 178 | M | 96.8 | Very high | 97.7 | Very high | 91 Ų | 91 | 47.6 Ų | 47.6 | 45% | 0.448 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.2 | -34.4 | 178.4 | -65 | -178.9 | 67.5 | 0 | 0 | 112.2 | F139 T176 A182 | F139-M178 HydrophobicContact CD2-CB 4.33Å; F139-M178 HydrophobicContact CD2-SD 4.19Å; F139-M178 HydrophobicContact CE2-CE 3.86Å; F139-M178 HydrophobicContact CE2-SD 3.62Å; F139-M178 HydrophobicContact CZ-SD 4.25Å; T176-M178 HydrophobicContact CG2-CB 4.19Å; T176-M178 PolarHBondContact O-N 3.05Å; T176-M178 VanDerWaalsContact O-N 3.13Å; M178-A182 PolarHBondContact O-N 3.17Å; M178-A182 VanDerWaalsContact O-N 3.08Å |
| 179 | V | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.8 | -48.1 | 176.6 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | F139 R142 L171 D174 T176 P177 R181 A182 V183 | F139-V179 HydrophobicContact CB-CG2 3.77Å; R142-V179 HydrophobicContact CB-CG1 4.1Å; R142-V179 HydrophobicContact CB-CG2 4.03Å; L171-V179 HydrophobicContact CB-CG1 4.04Å; L171-V179 HydrophobicContact CD2-CG1 3.61Å; L171-V179 HydrophobicContact CG-CG1 4.41Å; D174-V179 HydrophobicContact CB-CB 3.77Å; D174-V179 HydrophobicContact CB-CG1 3.78Å; T176-V179 HydrophobicContact CG2-CG2 4.31Å; T176-V179 WeakPolarHBondContact O-CB 3.38Å; T176-V179 PolarHBondContact O-N 3.25Å; P177-V179 PolarHBondContact O-N 3.22Å; V179-R181 VanDerWaalsContact C-N 3.27Å; V179-R181 PolarHBondContact O-N 3.21Å; V179-A182 WeakPolarHBondContact O-CB 3.48Å; V179-A182 PolarHBondContact O-N 3.15Å; V179-V183 PolarHBondContact O-N 3.11Å |
| 180 | R | 98.5 | Very high | 97.7 | Very high | 38 Ų | 38 | 45.7 Ų | 45.7 | 14% | 0.143 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.8 | -40.4 | 176.4 | -59.8 | -159.2 | -59.5 | -115.9 | 10.3 | 111.9 | A172 D174 T176 P177 A182 V183 A184 L296 D299 V304 | A172-R180 WeakPolarHBondContact O-CD 3.41Å; D174-R180 HydrophobicContact CB-CG 4.05Å; D174-R180 WeakPolarHBondContact O-CD 3.49Å; D174-R180 WeakPolarHBondContact O-CG 3.42Å; D174-R180 PolarHBondContact O-NH1 3.2Å; T176-R180 PolarHBondContact O-N 3.12Å; P177-R180 PolarHBondContact O-N 3.19Å; R180-A182 PolarHBondContact O-N 2.95Å; R180-V183 PolarHBondContact O-N 3.06Å; R180-A184 WeakPolarHBondContact O-CB 3.47Å; R180-A184 PolarHBondContact O-N 3.11Å; R180-L296 HydrophobicContact CB-CD2 3.98Å; R180-D299 IonicContact CZ-OD1 2.59Å; R180-D299 IonicContact CZ-OD2 2.91Å; R180-D299 IonicContact NE-OD1 2.83Å; R180-D299 IonicContact NE-OD2 3.27Å; R180-D299 PolarHBondContact NE-OD2 3Å; R180-D299 IonicContact NH2-OD1 3.76Å; R180-D299 PolarHBondContact NH2-OD1 2.96Å; R180-D299 IonicContact NH2-OD2 2.99Å; R180-D299 PolarHBondContact NH2-OD2 3.27Å; R180-V304 HydrophobicContact CB-CG1 4.17Å; R180-V304 HydrophobicContact CB-CG2 4.17Å |
| 181 | R | 98.1 | Very high | 97.7 | Very high | 114 Ų | 114 | 38.6 Ų | 38.6 | 43% | 0.43 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59.3 | -44.6 | 173.8 | -179.2 | 179.8 | 173.6 | -106.9 | -5.9 | 111.7 | P177 V179 V183 A184 A185 V304 M307 | P177-R181 VanDerWaalsContact O-CB 3.28Å; P177-R181 WeakPolarHBondContact O-CB 3.23Å; P177-R181 PolarHBondContact O-N 3.42Å; V179-R181 VanDerWaalsContact C-N 3.27Å; V179-R181 PolarHBondContact O-N 3.21Å; R181-V183 VanDerWaalsContact C-N 3.34Å; R181-A184 WeakPolarHBondContact O-CB 3.45Å; R181-A184 PolarHBondContact O-N 3.04Å; R181-A185 PolarHBondContact O-N 3.07Å; R181-V304 HydrophobicContact CB-CG2 3.98Å; R181-M307 HydrophobicContact CG-CB 4.34Å; R181-M307 HydrophobicContact CG-CG 3.53Å |
| 182 | A | 98.1 | Very high | 97.6 | Very high | 17 Ų | 17 | 40.5 Ų | 40.5 | 14% | 0.14 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.5 | -37.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T143 C146 M178 V179 R180 R186 | T143-A182 HydrophobicContact CG2-CB 3.79Å; C146-A182 HydrophobicContact CB-CB 3.79Å; M178-A182 PolarHBondContact O-N 3.17Å; M178-A182 VanDerWaalsContact O-N 3.08Å; V179-A182 WeakPolarHBondContact O-CB 3.48Å; V179-A182 PolarHBondContact O-N 3.15Å; R180-A182 PolarHBondContact O-N 2.95Å; A182-R186 WeakPolarHBondContact O-CG 3.26Å; A182-R186 PolarHBondContact O-N 3.18Å |
| 183 | V | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.7 | -48.3 | 170.8 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | C146 L168 L171 A172 V179 R180 R181 A185 R186 L187 L296 | C146-V183 WeakPolarHBondContact SG-CG2 3.43Å; L168-V183 HydrophobicContact CD1-CG1 3.77Å; L168-V183 HydrophobicContact CD1-CG2 4.46Å; L168-V183 HydrophobicContact CG-CG1 4.43Å; L171-V183 HydrophobicContact CB-CG2 3.59Å; A172-V183 HydrophobicContact CB-CG1 4.08Å; V179-V183 PolarHBondContact O-N 3.11Å; R180-V183 PolarHBondContact O-N 3.06Å; R181-V183 VanDerWaalsContact C-N 3.34Å; V183-A185 VanDerWaalsContact C-N 3.25Å; V183-A185 PolarHBondContact O-N 3.31Å; V183-R186 PolarHBondContact O-N 3.16Å; V183-L187 PolarHBondContact O-N 3.34Å; V183-L296 HydrophobicContact CB-CD1 4.47Å; V183-L296 HydrophobicContact CG1-CD1 3.96Å |
| 184 | A | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.7 | -39.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R180 R181 R186 L296 V304 M307 A308 S311 | R180-A184 WeakPolarHBondContact O-CB 3.47Å; R180-A184 PolarHBondContact O-N 3.11Å; R181-A184 WeakPolarHBondContact O-CB 3.45Å; R181-A184 PolarHBondContact O-N 3.04Å; A184-R186 VanDerWaalsContact C-N 3.28Å; A184-R186 PolarHBondContact O-N 2.99Å; A184-L296 HydrophobicContact CB-CB 4.23Å; A184-L296 HydrophobicContact CB-CD1 4.04Å; A184-L296 HydrophobicContact CB-CD2 4.45Å; A184-L296 HydrophobicContact CB-CG 4.47Å; A184-V304 HydrophobicContact CB-CG1 4.2Å; A184-M307 HydrophobicContact CB-CB 3.98Å; A184-A308 HydrophobicContact CB-CB 4.09Å; A184-S311 VanDerWaalsContact O-CB 3.31Å; A184-S311 WeakPolarHBondContact O-CB 3.44Å; A184-S311 PolarHBondContact O-OG 3.37Å |
| 185 | A | 97.7 | Very high | 97 | Very high | 32 Ų | 32 | 38.1 Ų | 38.1 | 26% | 0.264 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -16 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R181 V183 M307 | R181-A185 PolarHBondContact O-N 3.07Å; V183-A185 VanDerWaalsContact C-N 3.25Å; V183-A185 PolarHBondContact O-N 3.31Å; A185-M307 HydrophobicContact CB-CB 4.02Å; A185-M307 HydrophobicContact CB-CG 4.27Å; A185-M307 HydrophobicContact CB-SD 4.39Å |
| 186 | R | 97.3 | Very high | 96.2 | Very high | 98 Ų | 98 | 34 Ų | 34 | 37% | 0.37 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | -5.7 | -172.8 | -61.5 | -64.6 | 173.8 | -172 | -7.2 | 114.2 | C146 A182 V183 A184 G188 E189 L190 | C146-R186 WeakPolarHBondContact O-CB 3.21Å; A182-R186 WeakPolarHBondContact O-CG 3.26Å; A182-R186 PolarHBondContact O-N 3.18Å; V183-R186 PolarHBondContact O-N 3.16Å; A184-R186 VanDerWaalsContact C-N 3.28Å; A184-R186 PolarHBondContact O-N 2.99Å; R186-G188 PolarHBondContact O-N 3.45Å; R186-E189 WeakPolarHBondContact CD-OE2 3.19Å; R186-E189 IonicContact CZ-OE2 3.33Å; R186-E189 IonicContact NE-OE2 2.79Å; R186-E189 IonicContact NH1-OE2 3.61Å; R186-E189 PolarHBondContact NH1-OE2 2.83Å; R186-E189 PolarHBondContact O-N 2.78Å; R186-L190 PolarHBondContact O-N 3.26Å |
| 187 | L | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67 | -39.4 | -174.3 | -165.3 | 55.8 | 0 | 0 | 0 | 112.6 | L168 V183 A191 L289 L292 F293 L296 | L168-L187 HydrophobicContact CD2-CD1 3.84Å; V183-L187 PolarHBondContact O-N 3.34Å; L187-A191 PolarHBondContact O-N 3.23Å; L187-L289 HydrophobicContact CD1-CB 4.14Å; L187-L289 HydrophobicContact CD1-CD1 4.25Å; L187-L289 HydrophobicContact CD1-CD2 3.76Å; L187-L289 HydrophobicContact CD1-CG 4.26Å; L187-L292 HydrophobicContact CD2-CB 3.99Å; L187-F293 HydrophobicContact CD2-CB 3.75Å; L187-F293 HydrophobicContact CD2-CD2 3.91Å; L187-F293 HydrophobicContact CD2-CG 4.34Å; L187-F293 HydrophobicContact CG-CD2 4.49Å; L187-L296 HydrophobicContact CD2-CD1 4.04Å |
| 188 | G | 96.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.8 | -42.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | R186 L190 A191 L192 | R186-G188 PolarHBondContact O-N 3.45Å; G188-L190 VanDerWaalsContact C-N 3.33Å; G188-L190 PolarHBondContact O-N 3.43Å; G188-A191 WeakPolarHBondContact O-CB 3.2Å; G188-A191 PolarHBondContact O-N 3.02Å; G188-L192 PolarHBondContact O-N 2.73Å |
| 189 | E | 96.7 | Very high | 88.2 | Confident | 33 Ų | 33 | 38 Ų | 38 | 15% | 0.154 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.7 | -42.3 | 177.1 | -168.8 | -166.8 | 144.1 | 0 | 0 | 111.7 | R111 S150 R186 L192 A193 | R111-E189 IonicContact CZ-OE1 2.72Å; R111-E189 VanDerWaalsContact CZ-OE1 3.24Å; R111-E189 IonicContact NH1-OE1 3.19Å; R111-E189 PolarHBondContact NH1-OE1 2.86Å; R111-E189 IonicContact NH1-OE2 3.89Å; R111-E189 IonicContact NH2-OE1 3.82Å; R111-E189 PolarHBondContact NH2-OE1 2.98Å; R111-E189 IonicContact NH2-OE2 3.36Å; S150-E189 WeakPolarHBondContact CB-OE1 3.06Å; S150-E189 PolarHBondContact OG-OE1 3.49Å; R186-E189 WeakPolarHBondContact CD-OE2 3.19Å; R186-E189 IonicContact CZ-OE2 3.33Å; R186-E189 IonicContact NE-OE2 2.79Å; R186-E189 IonicContact NH1-OE2 3.61Å; R186-E189 PolarHBondContact NH1-OE2 2.83Å; R186-E189 PolarHBondContact O-N 2.78Å; E189-L192 PolarHBondContact O-N 3.43Å; E189-A193 PolarHBondContact O-N 3.31Å |
| 190 | L | 97.8 | Very high | 84.9 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 174.1 | 177 | 62 | 0 | 0 | 0 | 111.7 | F149 Y153 L168 R186 G188 L192 A193 M194 L289 | F149-L190 HydrophobicContact CB-CD1 4.28Å; F149-L190 HydrophobicContact CB-CD2 4.26Å; Y153-L190 HydrophobicContact CD2-CD1 4.41Å; Y153-L190 HydrophobicContact CG-CD1 4.04Å; L168-L190 HydrophobicContact CD2-CD2 3.49Å; L168-L190 VanDerWaalsContact CD2-CD2 3.49Å; R186-L190 PolarHBondContact O-N 3.26Å; G188-L190 VanDerWaalsContact C-N 3.33Å; G188-L190 PolarHBondContact O-N 3.43Å; L190-L192 VanDerWaalsContact C-N 3.26Å; L190-L192 PolarHBondContact O-N 2.94Å; L190-A193 PolarHBondContact O-N 3.39Å; L190-A193 VanDerWaalsContact O-N 3.14Å; L190-M194 HydrophobicContact CD1-CG 4.18Å; L190-M194 HydrophobicContact CD1-SD 4.29Å; L190-M194 HydrophobicContact CG-CG 4.38Å; L190-M194 HydrophobicContact CG-SD 4.01Å; L190-M194 VanDerWaalsContact O-CG 3.25Å; L190-M194 WeakPolarHBondContact O-CG 3.38Å; L190-M194 PolarHBondContact O-N 3.41Å; L190-L289 HydrophobicContact CD2-CD1 4.39Å; L190-L289 HydrophobicContact CD2-CD2 4.24Å; L190-L289 HydrophobicContact CG-CD1 4.31Å |
| 191 | A | 97.4 | Very high | 81.6 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.4 | -40.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L187 G188 M194 S195 I285 L289 L315 A318 | L187-A191 PolarHBondContact O-N 3.23Å; G188-A191 WeakPolarHBondContact O-CB 3.2Å; G188-A191 PolarHBondContact O-N 3.02Å; A191-M194 PolarHBondContact O-N 3.16Å; A191-S195 PolarHBondContact O-N 2.97Å; A191-S195 VanDerWaalsContact O-N 3.14Å; A191-I285 HydrophobicContact CB-CG2 4.32Å; A191-L289 HydrophobicContact CB-CD1 3.83Å; A191-L315 HydrophobicContact CB-CD1 3.75Å; A191-A318 HydrophobicContact CB-CB 3.77Å |
| 192 | L | 96.1 | Very high | 78.1 | Confident | 44 Ų | 44 | 54.6 Ų | 54.6 | 23% | 0.23 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.9 | -48.6 | 173.1 | -74.2 | 175.6 | 0 | 0 | 0 | 111.9 | G188 E189 L190 M194 S195 V196 Q314 Q317 A318 | G188-L192 PolarHBondContact O-N 2.73Å; E189-L192 PolarHBondContact O-N 3.43Å; L190-L192 VanDerWaalsContact C-N 3.26Å; L190-L192 PolarHBondContact O-N 2.94Å; L192-M194 PolarHBondContact O-N 2.77Å; L192-S195 WeakPolarHBondContact CA-OG 2.62Å; L192-S195 PolarHBondContact O-N 2.91Å; L192-S195 PolarHBondContact O-OG 3.38Å; L192-V196 WeakPolarHBondContact O-CG2 3.43Å; L192-V196 PolarHBondContact O-N 3.16Å; L192-V196 VanDerWaalsContact O-N 3.09Å; L192-Q314 HydrophobicContact CD1-CB 3.67Å; L192-Q314 HydrophobicContact CD1-CG 3.72Å; L192-Q314 HydrophobicContact CG-CB 4.12Å; L192-Q317 HydrophobicContact CD2-CB 3.85Å; L192-A318 HydrophobicContact CD2-CB 4.14Å |
| 193 | A | 95.6 | Very high | 74.7 | Confident | 20 Ų | 20 | 59.7 Ų | 59.7 | 17% | 0.165 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.3 | -29.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S150 E189 L190 | S150-A193 WeakPolarHBondContact O-CB 3.19Å; E189-A193 PolarHBondContact O-N 3.31Å; L190-A193 PolarHBondContact O-N 3.39Å; L190-A193 VanDerWaalsContact O-N 3.14Å |
| 194 | M | 95.7 | Very high | 71.4 | Confident | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.015 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -74.9 | -27 | 173.6 | -68.8 | 176.6 | 66.9 | 0 | 0 | 113.1 | Y153 L165 L190 A191 L192 E281 I285 L289 | Y153-M194 HydrophobicContact CD1-CG 3.66Å; Y153-M194 HydrophobicContact CE1-CB 4.43Å; Y153-M194 HydrophobicContact CE1-CE 4.08Å; Y153-M194 HydrophobicContact CE1-CG 3.5Å; Y153-M194 VanDerWaalsContact CE1-CG 3.5Å; Y153-M194 HydrophobicContact CE1-SD 4.21Å; Y153-M194 HydrophobicContact CG-CG 4.4Å; L165-M194 HydrophobicContact CD2-SD 4.47Å; L190-M194 HydrophobicContact CD1-CG 4.18Å; L190-M194 HydrophobicContact CD1-SD 4.29Å; L190-M194 HydrophobicContact CG-CG 4.38Å; L190-M194 HydrophobicContact CG-SD 4.01Å; L190-M194 VanDerWaalsContact O-CG 3.25Å; L190-M194 WeakPolarHBondContact O-CG 3.38Å; L190-M194 PolarHBondContact O-N 3.41Å; A191-M194 PolarHBondContact O-N 3.16Å; L192-M194 PolarHBondContact O-N 2.77Å; M194-E281 HydrophobicContact CB-CB 4.49Å; M194-E281 WeakPolarHBondContact O-CB 3.44Å; M194-I285 HydrophobicContact CB-CD1 3.97Å; M194-I285 HydrophobicContact CB-CG1 4.15Å; M194-I285 HydrophobicContact CE-CG1 3.94Å; M194-I285 HydrophobicContact SD-CG1 4.16Å; M194-L289 HydrophobicContact SD-CD1 3.68Å; M194-L289 HydrophobicContact SD-CG 4.33Å |
| 195 | S | 90 | Very high | 68.3 | Low | 59 Ų | 59 | 69.3 Ų | 69.3 | 41% | 0.413 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -86.2 | -25.9 | -179.1 | 70.9 | 0 | 0 | 0 | 0 | 114 | A191 L192 G197 | A191-S195 PolarHBondContact O-N 2.97Å; A191-S195 VanDerWaalsContact O-N 3.14Å; L192-S195 WeakPolarHBondContact CA-OG 2.62Å; L192-S195 PolarHBondContact O-N 2.91Å; L192-S195 PolarHBondContact O-OG 3.38Å; S195-G197 PolarHBondContact O-N 2.98Å |
| 196 | V | 80.1 | Confident | 65 | Low | 81 Ų | 81 | 75.1 Ų | 75.1 | 49% | 0.491 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -85.3 | 105.9 | -179.2 | 179.5 | 0 | 0 | 0 | 0 | 109.9 | L192 | L192-V196 WeakPolarHBondContact O-CG2 3.43Å; L192-V196 PolarHBondContact O-N 3.16Å; L192-V196 VanDerWaalsContact O-N 3.09Å |
| 197 | G | 55.9 | Low | 61.5 | Low | 51 Ų | 51 | 74 Ų | 74 | 53% | 0.526 | 46% | 0.462 | S | S | . | . | trans | -62.6 | 134.6 | 166 | 0 | 0 | 0 | 0 | 0 | 110.4 | S195 S199 | S195-G197 PolarHBondContact O-N 2.98Å; G197-S199 PolarHBondContact O-N 3.26Å; G197-S199 VanDerWaalsContact O-N 3.12Å | ||
| 198 | Q | 37.8 | Very low | 58.3 | Low | 97 Ų | 97 | 83.1 Ų | 83.1 | 45% | 0.453 | 51% | 0.505 | S | S | . | . | trans | -44.2 | 112.3 | -169.6 | -67.4 | 175.5 | 3.6 | 0 | 0 | 114.5 | P154 F274 | P154-Q198 PolarHBondContact O-NE2 3.32Å; Q198-F274 PolarHBondContact NE2-O 3.19Å; Q198-F274 VanDerWaalsContact NE2-O 3.09Å | ||
| 199 | S | 30.3 | Very low | 54.7 | Low | 107 Ų | 107 | 89.5 Ų | 89.5 | 75% | 0.748 | 54% | 0.543 | S | S | * | . | trans | -139 | 67.7 | 160.2 | 69.2 | 0 | 0 | 0 | 0 | 109.6 | G197 | G197-S199 PolarHBondContact O-N 3.26Å; G197-S199 VanDerWaalsContact O-N 3.12Å | ||
| 200 | S | 29.6 | Very low | 51.4 | Low | 121 Ų | 121 | 93.5 Ų | 93.5 | 85% | 0.846 | 58% | 0.575 | S | S | * | * | trans | -149.7 | 49.2 | 168.8 | -166.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 201 | E | 28.6 | Very low | 47.8 | Very low | 181 Ų | 181 | 98.8 Ų | 98.8 | 85% | 0.846 | 61% | 0.612 | S | S | * | * | trans | -94 | 120.2 | 157.5 | -74 | -172.5 | 164.4 | 0 | 0 | 108.3 | ||||
| 202 | K | 25.8 | Very low | 44.4 | Very low | 198 Ų | 198 | 107.8 Ų | 107.8 | 86% | 0.861 | 66% | 0.655 | S | S | * | * | trans | -58.6 | 133.1 | 169.9 | -129.6 | 173.3 | -176.6 | 175.2 | 0 | 107.4 | S204 | K202-S204 PolarHBondContact O-N 3.24Š| ||
| 203 | P | 27.3 | Very low | 40.9 | Very low | 124 Ų | 124 | 113.2 Ų | 113.2 | 81% | 0.805 | 68% | 0.682 | S | S | * | * | trans | -62.5 | 114.2 | -177.9 | 23.8 | -30.5 | 0 | 0 | 0 | 109.1 | A205 | P203-A205 PolarHBondContact O-N 2.99Å; P203-A205 VanDerWaalsContact O-N 3.16Å | ||
| 204 | S | 27.4 | Very low | 37.5 | Very low | 108 Ų | 108 | 117.8 Ų | 117.8 | 76% | 0.755 | 71% | 0.713 | S | S | * | * | trans | -61.8 | 115.6 | 170.9 | 60.2 | 0 | 0 | 0 | 0 | 108.1 | K202 D206 | K202-S204 PolarHBondContact O-N 3.24Å; S204-D206 VanDerWaalsContact C-N 3.26Å; S204-D206 PolarHBondContact O-N 2.93Å | ||
| 205 | A | 33.3 | Very low | 34 | Very low | 94 Ų | 94 | 125.7 Ų | 125.7 | 78% | 0.777 | 75% | 0.75 | S | S | * | * | trans | -74.2 | 83.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | P203 | P203-A205 PolarHBondContact O-N 2.99Å; P203-A205 VanDerWaalsContact O-N 3.16Å | ||
| 206 | D | 29.8 | Very low | 31 | Very low | 154 Ų | 154 | 130.9 Ų | 130.9 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | trans | -150.1 | 104.6 | 159.5 | -83.3 | -41 | 0 | 0 | 0 | 107.7 | S204 | S204-D206 VanDerWaalsContact C-N 3.26Å; S204-D206 PolarHBondContact O-N 2.93Å | ||
| 207 | G | 24.1 | Very low | 28.4 | Very low | 74 Ų | 74 | 133.3 Ų | 133.3 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | trans | -74.2 | 143.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 208 | E | 27.8 | Very low | 26.8 | Very low | 193 Ų | 193 | 136.7 Ų | 136.7 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | -163 | 115.6 | 127.9 | -107.4 | 172.5 | -165.1 | 0 | 0 | 109.6 | S210 | E208-S210 PolarHBondContact O-N 3.33Š| |||
| 209 | T | 22.4 | Very low | 26.3 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 82% | 0.816 | 81% | 0.811 | S | S | * | * | trans | -56.3 | 120.8 | 172 | 37.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 210 | S | 25.8 | Very low | 25.8 | Very low | 118 Ų | 118 | 138 Ų | 138 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -138.1 | 87.3 | 153.9 | -83 | 0 | 0 | 0 | 0 | 109.3 | E208 Q212 | E208-S210 PolarHBondContact O-N 3.33Å; S210-Q212 PolarHBondContact O-N 3.21Å | ||
| 211 | S | 23 | Very low | 25.6 | Very low | 114 Ų | 114 | 141.2 Ų | 141.2 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | trans | -66.6 | 105.5 | 166.2 | 30.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 212 | Q | 26.1 | Very low | 25.4 | Very low | 190 Ų | 190 | 138.2 Ų | 138.2 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | trans | -122.3 | 111.8 | 157.1 | -76.2 | -168.6 | -3.1 | 0 | 0 | 109.8 | S210 | S210-Q212 PolarHBondContact O-N 3.21Š| ||
| 213 | I | 22.1 | Very low | 25.3 | Very low | 158 Ų | 158 | 136.3 Ų | 136.3 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | -66.7 | 122.5 | 174.7 | -63.1 | 160.4 | 0 | 0 | 0 | 108.3 | ||||
| 214 | S | 24.5 | Very low | 25.2 | Very low | 116 Ų | 116 | 135.6 Ų | 135.6 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | trans | -139.9 | 98.3 | 154.2 | 70.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 215 | E | 22.4 | Very low | 24.9 | Very low | 168 Ų | 168 | 137.8 Ų | 137.8 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -61 | 130.8 | 161.9 | -62.6 | 173 | 150.7 | 0 | 0 | 109 | ||||
| 216 | H | 26.3 | Very low | 24.5 | Very low | 169 Ų | 169 | 139.1 Ų | 139.1 | 78% | 0.782 | 81% | 0.809 | S | S | * | * | trans | -169 | 120 | 135.3 | -100.9 | -53.9 | 0 | 0 | 0 | 113.2 | ||||
| 217 | N | 26.9 | Very low | 24.1 | Very low | 132 Ų | 132 | 140.9 Ų | 140.9 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | trans | 70.2 | 91.7 | 139.2 | -62.1 | -2.8 | 0 | 0 | 0 | 119.4 | ||||
| 218 | S | 21.6 | Very low | 24 | Very low | 122 Ų | 122 | 143 Ų | 143 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | trans | -33.8 | 125.9 | 137.7 | 51.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 219 | S | 26.4 | Very low | 23.8 | Very low | 119 Ų | 119 | 143 Ų | 143 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -132.2 | 116.4 | 151.5 | 57.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 220 | S | 21.7 | Very low | 23.7 | Very low | 111 Ų | 111 | 145.5 Ų | 145.5 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | -64.8 | 133.9 | 171.4 | 172.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 221 | M | 24.7 | Very low | 23.6 | Very low | 189 Ų | 189 | 147.4 Ų | 147.4 | 93% | 0.931 | 82% | 0.816 | S | S | * | * | trans | -136.8 | 122.2 | 163.4 | -149 | 153.6 | 157.1 | 0 | 0 | 109.5 | ||||
| 222 | T | 24.9 | Very low | 23.5 | Very low | 119 Ų | 119 | 148.2 Ų | 148.2 | 73% | 0.73 | 82% | 0.817 | S | S | * | * | trans | -82.6 | 141.7 | -161.8 | 43.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 223 | N | 23.1 | Very low | 23.4 | Very low | 157 Ų | 157 | 146.6 Ų | 146.6 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | trans | -43.2 | 127.4 | 169.6 | -66.5 | -20.8 | 0 | 0 | 0 | 113.4 | ||||
| 224 | S | 25.3 | Very low | 23.4 | Very low | 110 Ų | 110 | 147.5 Ų | 147.5 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | trans | -115.1 | 109 | 160.1 | 55.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 225 | I | 21.2 | Very low | 23.3 | Very low | 154 Ų | 154 | 148.6 Ų | 148.6 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | trans | -78.7 | 115.3 | 173.9 | -64.6 | 164.4 | 0 | 0 | 0 | 106.2 | ||||
| 226 | T | 23.6 | Very low | 23.3 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | trans | -122.7 | 113.8 | 165.7 | 40.8 | 0 | 0 | 0 | 0 | 109.3 | S228 | T226-S228 PolarHBondContact O-N 2.85Š| ||
| 227 | E | 22 | Very low | 23 | Very low | 190 Ų | 190 | 143 Ų | 143 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | trans | -54.4 | 111.6 | 176.6 | -68.2 | 169.2 | 139.3 | 0 | 0 | 111.7 | ||||
| 228 | S | 22.9 | Very low | 22.9 | Very low | 118 Ų | 118 | 144.7 Ų | 144.7 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -86.5 | 108.6 | 169.6 | -70.2 | 0 | 0 | 0 | 0 | 109.7 | T226 M230 | T226-S228 PolarHBondContact O-N 2.85Å; S228-M230 PolarHBondContact O-N 2.62Å | ||
| 229 | K | 23.7 | Very low | 22.9 | Very low | 193 Ų | 193 | 146.3 Ų | 146.3 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | trans | -60.6 | 125.3 | 171.4 | -79.9 | 176.1 | 173.6 | 175.1 | 0 | 110.6 | L231 | K229-L231 PolarHBondContact O-N 2.88Š| ||
| 230 | M | 20.7 | Very low | 22.7 | Very low | 187 Ų | 187 | 144.5 Ų | 144.5 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | trans | -54.7 | 118.1 | 170 | -67.6 | 177.3 | 95.2 | 0 | 0 | 110.6 | S228 | S228-M230 PolarHBondContact O-N 2.62Š| ||
| 231 | L | 22.1 | Very low | 22.8 | Very low | 157 Ų | 157 | 142.5 Ų | 142.5 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | trans | -98 | 112.2 | 167.2 | -81 | 157.1 | 0 | 0 | 0 | 107.9 | K229 N233 | K229-L231 PolarHBondContact O-N 2.88Å; L231-N233 PolarHBondContact O-N 3.49Å | ||
| 232 | T | 21.8 | Very low | 22.6 | Very low | 132 Ų | 132 | 143.1 Ų | 143.1 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -65.5 | 109.5 | 171 | 46.7 | 0 | 0 | 0 | 0 | 109.2 | E234 | T232-E234 PolarHBondContact O-N 2.98Š| ||
| 233 | N | 24.7 | Very low | 22.5 | Very low | 155 Ų | 155 | 142.8 Ų | 142.8 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | trans | -73.3 | 104 | 173.9 | -82.8 | -21.6 | 0 | 0 | 0 | 109.7 | L231 | L231-N233 PolarHBondContact O-N 3.49Š| ||
| 234 | E | 21.1 | Very low | 22.3 | Very low | 177 Ų | 177 | 140.7 Ų | 140.7 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | trans | -67.5 | 130.3 | 162.2 | -80.8 | -177 | 150.8 | 0 | 0 | 109.9 | T232 V236 | T232-E234 PolarHBondContact O-N 2.98Å; E234-V236 PolarHBondContact O-N 3.1Å | ||
| 235 | V | 22.5 | Very low | 22.2 | Very low | 140 Ų | 140 | 145.1 Ų | 145.1 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | trans | -67.4 | 97.9 | 179.8 | 178.3 | 0 | 0 | 0 | 0 | 109.3 | S237 | V235-S237 PolarHBondContact O-N 3.2Š| ||
| 236 | V | 23.3 | Very low | 22.3 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 72% | 0.721 | 81% | 0.809 | S | S | * | * | trans | -82.5 | 107.2 | 170.5 | 178.6 | 0 | 0 | 0 | 0 | 108.8 | E234 L238 | E234-V236 PolarHBondContact O-N 3.1Å; V236-L238 PolarHBondContact O-N 2.96Å; V236-L238 VanDerWaalsContact O-N 3.15Å | ||
| 237 | S | 19.9 | Very low | 22.3 | Very low | 99 Ų | 99 | 142 Ų | 142 | 69% | 0.692 | 81% | 0.813 | S | S | * | * | trans | -57.7 | 110.7 | 170.4 | -55.8 | 0 | 0 | 0 | 0 | 110.7 | V235 N239 | V235-S237 PolarHBondContact O-N 3.2Å; S237-N239 PolarHBondContact O-N 3.43Å | ||
| 238 | L | 23.4 | Very low | 22.5 | Very low | 168 Ų | 168 | 139.3 Ų | 139.3 | 88% | 0.88 | 81% | 0.81 | S | S | * | * | trans | -77.8 | 97.1 | 172.3 | -73.8 | 165.8 | 0 | 0 | 0 | 109.1 | V236 | V236-L238 PolarHBondContact O-N 2.96Å; V236-L238 VanDerWaalsContact O-N 3.15Å | ||
| 239 | N | 22.3 | Very low | 22.5 | Very low | 156 Ų | 156 | 138.2 Ų | 138.2 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | trans | -63.6 | 132.2 | 168.1 | -86.7 | -22.5 | 0 | 0 | 0 | 110.6 | S237 G241 | S237-N239 PolarHBondContact O-N 3.43Å; N239-G241 PolarHBondContact O-N 3.22Å | ||
| 240 | G | 22.7 | Very low | 22.5 | Very low | 82 Ų | 82 | 136.4 Ų | 136.4 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | -61 | 118.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 241 | G | 22.5 | Very low | 22.6 | Very low | 69 Ų | 69 | 135.9 Ų | 135.9 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | trans | -96.6 | 102 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | N239 V243 | N239-G241 PolarHBondContact O-N 3.22Å; G241-V243 PolarHBondContact O-N 2.92Å | ||
| 242 | Q | 20.3 | Very low | 22.7 | Very low | 201 Ų | 201 | 139.6 Ų | 139.6 | 94% | 0.939 | 81% | 0.806 | S | S | * | * | trans | -61.7 | 111.5 | 166.9 | -75.9 | 175.1 | -43.7 | 0 | 0 | 108.7 | ||||
| 243 | V | 22.8 | Very low | 22.8 | Very low | 112 Ų | 112 | 142 Ų | 142 | 68% | 0.679 | 81% | 0.813 | S | S | * | * | trans | -112.1 | 98.9 | 164.5 | -169.9 | 0 | 0 | 0 | 0 | 107.4 | G241 Y245 | G241-V243 PolarHBondContact O-N 2.92Å; V243-Y245 HydrophobicContact CB-CE2 4.5Å; V243-Y245 HydrophobicContact CG1-CD2 3.69Å; V243-Y245 HydrophobicContact CG1-CE2 3.31Å; V243-Y245 PolarHBondContact O-N 2.92Å | ||
| 244 | S | 19.8 | Very low | 23 | Very low | 113 Ų | 113 | 140.7 Ų | 140.7 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | -71.5 | 116.5 | 170.4 | 164.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 245 | Y | 22.9 | Very low | 23.1 | Very low | 204 Ų | 204 | 139.9 Ų | 139.9 | 80% | 0.8 | 81% | 0.812 | S | S | * | * | trans | -113.6 | 107.3 | 163.4 | -83.5 | -76.4 | 0 | 0 | 0 | 108.3 | V243 | V243-Y245 HydrophobicContact CB-CE2 4.5Å; V243-Y245 HydrophobicContact CG1-CD2 3.69Å; V243-Y245 HydrophobicContact CG1-CE2 3.31Å; V243-Y245 PolarHBondContact O-N 2.92Å | ||
| 246 | G | 24.3 | Very low | 23.3 | Very low | 71 Ų | 71 | 140.9 Ų | 140.9 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | trans | -67.7 | 127.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 247 | V | 23.4 | Very low | 23.4 | Very low | 139 Ų | 139 | 140.7 Ų | 140.7 | 84% | 0.842 | 82% | 0.817 | S | S | * | * | trans | -82.8 | 109.5 | 172 | 178.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 248 | T | 25.1 | Very low | 23.9 | Very low | 134 Ų | 134 | 143 Ų | 143 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | trans | -113.4 | 107.4 | 158.9 | 51.1 | 0 | 0 | 0 | 0 | 107.4 | D250 | T248-D250 PolarHBondContact O-N 3.33Š| ||
| 249 | A | 22.2 | Very low | 23.9 | Very low | 95 Ų | 95 | 140 Ų | 140 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | -61.9 | 123.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 250 | D | 24.1 | Very low | 24.3 | Very low | 155 Ų | 155 | 141.2 Ų | 141.2 | 83% | 0.829 | 82% | 0.819 | S | S | * | * | trans | -140.6 | 102.9 | 159 | -141.3 | -7.7 | 0 | 0 | 0 | 108.5 | T248 R252 | T248-D250 PolarHBondContact O-N 3.33Å; D250-R252 PolarHBondContact O-N 3.25Å | ||
| 251 | E | 22.8 | Very low | 24.5 | Very low | 176 Ų | 176 | 146.8 Ų | 146.8 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | trans | -70.1 | 114.2 | 170.5 | -68.5 | 178.3 | 147.1 | 0 | 0 | 108.8 | ||||
| 252 | R | 25.8 | Very low | 25.1 | Very low | 235 Ų | 235 | 149.4 Ų | 149.4 | 89% | 0.887 | 83% | 0.825 | S | S | * | * | trans | -172 | 91.6 | 148.1 | -103.9 | 154.2 | -169 | -147.5 | 4.2 | 110.2 | D250 T254 | D250-R252 PolarHBondContact O-N 3.25Å; R252-T254 PolarHBondContact O-N 3Å | ||
| 253 | L | 23.7 | Very low | 25.5 | Very low | 183 Ų | 183 | 144.9 Ų | 144.9 | 96% | 0.958 | 82% | 0.816 | S | S | * | * | trans | -74.4 | 105.4 | 162.1 | -72.1 | 161 | 0 | 0 | 0 | 108.2 | ||||
| 254 | T | 27.1 | Very low | 25.8 | Very low | 126 Ų | 126 | 146 Ų | 146 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | trans | -121.4 | 118.9 | 158.8 | 49.4 | 0 | 0 | 0 | 0 | 109.1 | R252 | R252-T254 PolarHBondContact O-N 3Š| ||
| 255 | N | 24.3 | Very low | 26.4 | Very low | 160 Ų | 160 | 148.7 Ų | 148.7 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | trans | -36.2 | 128 | 172.2 | -73.2 | -29.7 | 0 | 0 | 0 | 113.1 | ||||
| 256 | D | 27.6 | Very low | 26.8 | Very low | 162 Ų | 162 | 144 Ų | 144 | 87% | 0.866 | 83% | 0.826 | S | S | * | * | trans | -139.5 | 128.1 | 146.8 | -117 | -20 | 0 | 0 | 0 | 111.1 | ||||
| 257 | S | 23.9 | Very low | 27.1 | Very low | 115 Ų | 115 | 147.6 Ų | 147.6 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | -84.4 | 113.7 | -175.1 | -58.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 258 | I | 29.9 | Very low | 27.3 | Very low | 147 Ų | 147 | 145.9 Ų | 145.9 | 75% | 0.754 | 82% | 0.82 | S | S | * | * | trans | -123.6 | 112.5 | 168.7 | -59.3 | 179.7 | 0 | 0 | 0 | 108.7 | E260 | I258-E260 PolarHBondContact O-N 3.37Š| ||
| 259 | A | 25.4 | Very low | 27.9 | Very low | 104 Ų | 104 | 145.6 Ų | 145.6 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | trans | -73 | 113.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 260 | E | 29.3 | Very low | 28.9 | Very low | 182 Ų | 182 | 148.8 Ų | 148.8 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | trans | -105.8 | 135.3 | 168.6 | -76.5 | -167.4 | 154.7 | 0 | 0 | 111.7 | I258 | I258-E260 PolarHBondContact O-N 3.37Š| ||
| 261 | K | 26.5 | Very low | 30 | Very low | 199 Ų | 199 | 146.7 Ų | 146.7 | 87% | 0.865 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 149.9 | -177.5 | -84.9 | 173.8 | 173 | 173.7 | 0 | 111.7 | S263 | K261-S263 PolarHBondContact O-N 3.05Š|
| 262 | P | 35.1 | Very low | 31.6 | Very low | 125 Ų | 125 | 141.5 Ų | 141.5 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 119 | -169.3 | 30.9 | -32.3 | 0 | 0 | 0 | 111.4 | ||
| 263 | S | 29.6 | Very low | 34.1 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 117 | 167.3 | 54.7 | 0 | 0 | 0 | 0 | 109.3 | K261 H265 | K261-S263 PolarHBondContact O-N 3.05Å; S263-H265 PolarHBondContact O-N 3.4Å |
| 264 | T | 28.7 | Very low | 37.1 | Very low | 136 Ų | 136 | 126.4 Ų | 126.4 | 83% | 0.834 | 73% | 0.732 | S | S | * | * | trans | -70.8 | 90.4 | 175.5 | 38.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 265 | H | 32.3 | Very low | 40 | Very low | 168 Ų | 168 | 124.1 Ų | 124.1 | 78% | 0.778 | 72% | 0.718 | S | S | * | * | trans | -122.2 | 98.7 | 155.5 | -80 | -66.6 | 0 | 0 | 0 | 107.8 | S263 N267 | S263-H265 PolarHBondContact O-N 3.4Å; H265-N267 PolarHBondContact O-N 3.19Å | ||
| 266 | A | 31.6 | Very low | 43.2 | Very low | 106 Ų | 106 | 117.4 Ų | 117.4 | 88% | 0.876 | 68% | 0.682 | S | S | * | * | trans | -66.6 | 95.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 267 | N | 30.3 | Very low | 46.2 | Very low | 146 Ų | 146 | 113.3 Ų | 113.3 | 78% | 0.781 | 66% | 0.66 | S | S | * | * | trans | -65.1 | 131.8 | 161.5 | -81.6 | -26.1 | 0 | 0 | 0 | 107.7 | H265 | H265-N267 PolarHBondContact O-N 3.19Š| ||
| 268 | P | 28.3 | Very low | 49.4 | Very low | 103 Ų | 103 | 112.5 Ų | 112.5 | 67% | 0.669 | 65% | 0.652 | S | S | * | * | trans | -60.4 | 144.5 | 179.5 | 26.3 | -31.9 | 0 | 0 | 0 | 109.1 | Q270 | P268-Q270 PolarHBondContact O-N 3.35Š| ||
| 269 | P | 38.3 | Very low | 52.4 | Low | 128 Ų | 128 | 113.3 Ų | 113.3 | 83% | 0.831 | 65% | 0.652 | S | S | * | * | trans | -65.7 | 104.2 | -171.9 | 27 | -31.7 | 0 | 0 | 0 | 108.5 | S271 | P269-S271 PolarHBondContact O-N 2.79Å; P269-S271 VanDerWaalsContact O-N 3.11Å | ||
| 270 | Q | 42.2 | Very low | 55.6 | Low | 162 Ų | 162 | 111.5 Ų | 111.5 | 76% | 0.757 | 63% | 0.625 | S | S | * | * | trans | -59.1 | 115.6 | 164.4 | -74.1 | 176.1 | -26 | 0 | 0 | 105.8 | P268 D272 | P268-Q270 PolarHBondContact O-N 3.35Å; Q270-D272 PolarHBondContact O-N 3.2Å | ||
| 271 | S | 46.5 | Very low | 58.7 | Low | 112 Ų | 112 | 102.9 Ų | 102.9 | 78% | 0.783 | 59% | 0.585 | S | S | * | * | trans | -65.6 | 82.6 | 167.2 | 52.4 | 0 | 0 | 0 | 0 | 107.1 | P269 D273 | P269-S271 PolarHBondContact O-N 2.79Å; P269-S271 VanDerWaalsContact O-N 3.11Å; S271-D273 PolarHBondContact O-N 3.21Å | ||
| 272 | D | 57.6 | Low | 61.9 | Low | 67 Ų | 67 | 98.3 Ų | 98.3 | 36% | 0.358 | 56% | 0.562 | S | S | . | * | trans | -81.9 | 54.9 | -171.7 | -144.3 | 15.5 | 0 | 0 | 0 | 110.2 | R157 Q270 | R157-D272 WeakPolarHBondContact CD-O 3.33Å; R157-D272 PolarHBondContact NE-O 3.09Å; Q270-D272 PolarHBondContact O-N 3.2Å | ||
| 273 | D | 77.7 | Confident | 64.8 | Low | 81 Ų | 81 | 95.1 Ų | 95.1 | 43% | 0.433 | 54% | 0.543 | S | S | . | . | trans | -86.6 | 154.4 | -179.2 | -173.9 | 19.7 | 0 | 0 | 0 | 110.7 | S271 T275 | S271-D273 PolarHBondContact O-N 3.21Å; D273-T275 VanDerWaalsContact CG-OG1 3.32Å; D273-T275 PolarHBondContact O-N 3.03Å; D273-T275 WeakPolarHBondContact OD2-CG2 3.27Å; D273-T275 PolarHBondContact OD2-OG1 3.24Å | ||
| 274 | F | 86.4 | Confident | 68 | Low | 19 Ų | 19 | 92.1 Ų | 92.1 | 8% | 0.083 | 52% | 0.516 | C | S | . | . | S | Bend | trans | -73 | -2.6 | 177.5 | -65.7 | -77.2 | 0 | 0 | 0 | 112.9 | T119 E120 R157 R161 Q198 | T119-F274 HydrophobicContact CG2-CB 4.14Å; T119-F274 HydrophobicContact CG2-CD1 4.01Å; T119-F274 HydrophobicContact CG2-CD2 4.25Å; T119-F274 HydrophobicContact CG2-CE1 4.46Å; T119-F274 HydrophobicContact CG2-CG 3.89Å; E120-F274 VanDerWaalsContact OE1-CE2 3.31Å; E120-F274 WeakPolarHBondContact OE1-CE2 3.42Å; R157-F274 HydrophobicContact CG-CD1 4.21Å; R157-F274 HydrophobicContact CG-CE1 4.03Å; R157-F274 HydrophobicContact CG-CZ 4.47Å; R161-F274 PolarHBondContact NH2-O 3.42Å; Q198-F274 PolarHBondContact NE2-O 3.19Å; Q198-F274 VanDerWaalsContact NE2-O 3.09Å |
| 275 | T | 88.4 | Confident | 71.3 | Confident | 78 Ų | 78 | 85.8 Ų | 85.8 | 48% | 0.479 | 48% | 0.477 | S | S | . | . | trans | -67.7 | 140.3 | 177.3 | 45.6 | 0 | 0 | 0 | 0 | 111.6 | R161 D273 | R161-T275 PolarHBondContact NH1-O 2.82Å; R161-T275 PolarHBondContact NH2-O 3.49Å; R161-T275 VanDerWaalsContact NH2-O 3.1Å; D273-T275 VanDerWaalsContact CG-OG1 3.32Å; D273-T275 PolarHBondContact O-N 3.03Å; D273-T275 WeakPolarHBondContact OD2-CG2 3.27Å; D273-T275 PolarHBondContact OD2-OG1 3.24Å | ||
| 276 | L | 90.9 | Very high | 74.3 | Confident | 20 Ų | 20 | 79.3 Ų | 79.3 | 11% | 0.105 | 45% | 0.447 | C | S | . | . | trans | -81.7 | 133.3 | 171.4 | -70.9 | 166.4 | 0 | 0 | 0 | 108.2 | Y153 P154 P278 E281 | Y153-L276 HydrophobicContact CD1-CD2 4.2Å; Y153-L276 HydrophobicContact CE1-CD2 3.87Å; P154-L276 HydrophobicContact CB-CD1 3.98Å; L276-P278 WeakPolarHBondContact O-CD 3.15Å; L276-E281 HydrophobicContact CB-CG 4.04Å; L276-E281 HydrophobicContact CD2-CG 3.76Å; L276-E281 WeakPolarHBondContact CD2-OE1 3.32Å; L276-E281 HydrophobicContact CG-CG 4.46Å | ||
| 277 | D | 91.7 | Very high | 77.4 | Confident | 76 Ų | 76 | 78.2 Ų | 78.2 | 41% | 0.406 | 43% | 0.43 | S | S | . | . | trans | -92.8 | 104.9 | 173.6 | 171.1 | -2.2 | 0 | 0 | 0 | 108.5 | E279 K280 E281 | D277-E279 VanDerWaalsContact C-N 3.25Å; D277-E279 PolarHBondContact O-N 2.96Å; D277-E279 VanDerWaalsContact O-N 3.14Å; D277-E279 PolarHBondContact OD1-N 2.86Å; D277-K280 HydrophobicContact CB-CB 3.88Å; D277-K280 HydrophobicContact CB-CD 4.5Å; D277-K280 PolarHBondContact O-N 2.92Å; D277-K280 VanDerWaalsContact O-N 3.1Å; D277-K280 PolarHBondContact OD1-N 3.26Å; D277-K280 WeakPolarHBondContact OD2-CB 3.18Å; D277-E281 VanDerWaalsContact O-CG 3.27Å; D277-E281 WeakPolarHBondContact O-CG 3.33Å; D277-E281 PolarHBondContact O-N 3.14Å | ||
| 278 | P | 91.4 | Very high | 80.6 | Confident | 97 Ų | 97 | 71.5 Ų | 71.5 | 63% | 0.63 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -56.5 | -36 | -170.5 | -25.7 | 35.6 | 0 | 0 | 0 | 114 | L276 R282 | L276-P278 WeakPolarHBondContact O-CD 3.15Å; P278-R282 WeakPolarHBondContact O-CB 3.3Å; P278-R282 PolarHBondContact O-N 3.4Å |
| 279 | E | 91.6 | Very high | 83.9 | Confident | 164 Ų | 164 | 66.6 Ų | 66.6 | 77% | 0.766 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -70.2 | -44.4 | -180 | -65.8 | -173.2 | 173.1 | 0 | 0 | 111 | D277 S283 | D277-E279 VanDerWaalsContact C-N 3.25Å; D277-E279 PolarHBondContact O-N 2.96Å; D277-E279 VanDerWaalsContact O-N 3.14Å; D277-E279 PolarHBondContact OD1-N 2.86Å; E279-S283 WeakPolarHBondContact O-CB 3.41Å; E279-S283 PolarHBondContact O-N 3.35Å |
| 280 | K | 92.4 | Very high | 86.7 | Confident | 66 Ų | 66 | 61 Ų | 61 | 29% | 0.287 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.2 | -44 | 177.7 | -175.6 | -178.2 | 177.5 | -173.1 | 0 | 111.9 | S158 D277 S283 Y284 | S158-K280 PolarHBondContact OG-NZ 2.77Å; D277-K280 HydrophobicContact CB-CB 3.88Å; D277-K280 HydrophobicContact CB-CD 4.5Å; D277-K280 PolarHBondContact O-N 2.92Å; D277-K280 VanDerWaalsContact O-N 3.1Å; D277-K280 PolarHBondContact OD1-N 3.26Å; D277-K280 WeakPolarHBondContact OD2-CB 3.18Å; K280-S283 WeakPolarHBondContact O-CB 3.29Å; K280-S283 PolarHBondContact O-N 3.12Å; K280-Y284 HydrophobicContact CD-CE2 4.35Å; K280-Y284 WeakPolarHBondContact CE-OH 3.47Å; K280-Y284 HydrophobicContact CG-CD2 4.42Å; K280-Y284 HydrophobicContact CG-CE2 3.9Å; K280-Y284 PolarHBondContact O-N 3.33Å |
| 281 | E | 95.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 177.9 | -59.9 | -45.8 | 157.5 | 0 | 0 | 110.9 | Y153 R161 M194 L276 D277 S283 Y284 I285 | Y153-E281 VanDerWaalsContact CE1-OE2 3.31Å; Y153-E281 WeakPolarHBondContact CE1-OE2 3.5Å; Y153-E281 VanDerWaalsContact CZ-OE2 3.29Å; Y153-E281 PolarHBondContact OH-OE2 3.42Å; R161-E281 IonicContact NH1-OE1 3.38Å; R161-E281 PolarHBondContact NH1-OE1 3.06Å; M194-E281 HydrophobicContact CB-CB 4.49Å; M194-E281 WeakPolarHBondContact O-CB 3.44Å; L276-E281 HydrophobicContact CB-CG 4.04Å; L276-E281 HydrophobicContact CD2-CG 3.76Å; L276-E281 WeakPolarHBondContact CD2-OE1 3.32Å; L276-E281 HydrophobicContact CG-CG 4.46Å; D277-E281 VanDerWaalsContact O-CG 3.27Å; D277-E281 WeakPolarHBondContact O-CG 3.33Å; D277-E281 PolarHBondContact O-N 3.14Å; E281-S283 VanDerWaalsContact C-N 3.34Å; E281-S283 PolarHBondContact O-N 3.31Å; E281-Y284 WeakPolarHBondContact O-CB 3.37Å; E281-Y284 PolarHBondContact O-N 2.61Å; E281-Y284 VanDerWaalsContact O-N 3.08Å; E281-I285 WeakPolarHBondContact O-CG1 3.49Å; E281-I285 PolarHBondContact O-N 3.18Å |
| 282 | R | 94.3 | Very high | 91.8 | Very high | 103 Ų | 103 | 50.9 Ų | 50.9 | 39% | 0.389 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.2 | -44 | 172.5 | -172 | 175.8 | -168.8 | 89.7 | -5.9 | 111.9 | P278 Y284 I285 I286 L319 E323 | P278-R282 WeakPolarHBondContact O-CB 3.3Å; P278-R282 PolarHBondContact O-N 3.4Å; R282-Y284 VanDerWaalsContact C-N 3.28Å; R282-Y284 PolarHBondContact O-N 2.78Å; R282-I285 PolarHBondContact O-N 2.74Å; R282-I286 HydrophobicContact CG-CD1 4.24Å; R282-I286 WeakPolarHBondContact O-CG1 3.28Å; R282-I286 PolarHBondContact O-N 3.29Å; R282-I286 VanDerWaalsContact O-N 3.09Å; R282-L319 PolarHBondContact NH2-O 3.2Å; R282-E323 IonicContact CZ-OE1 3.98Å; R282-E323 IonicContact CZ-OE2 2.84Å; R282-E323 VanDerWaalsContact NE-CD 3.34Å; R282-E323 IonicContact NE-OE1 2.68Å; R282-E323 PolarHBondContact NE-OE1 3.26Å; R282-E323 IonicContact NE-OE2 3.03Å; R282-E323 PolarHBondContact NE-OE2 3.26Å; R282-E323 IonicContact NH1-OE2 3.78Å; R282-E323 IonicContact NH2-OE1 3.85Å; R282-E323 PolarHBondContact NH2-OE1 3.36Å; R282-E323 IonicContact NH2-OE2 3.94Å; R282-E323 PolarHBondContact NH2-OE2 3.29Å |
| 283 | S | 96 | Very high | 93.7 | Very high | 59 Ų | 59 | 47.7 Ų | 47.7 | 41% | 0.413 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58 | -40.2 | 173.5 | 175.3 | 0 | 0 | 0 | 0 | 111.8 | E279 K280 E281 I286 T287 | E279-S283 WeakPolarHBondContact O-CB 3.41Å; E279-S283 PolarHBondContact O-N 3.35Å; K280-S283 WeakPolarHBondContact O-CB 3.29Å; K280-S283 PolarHBondContact O-N 3.12Å; E281-S283 VanDerWaalsContact C-N 3.34Å; E281-S283 PolarHBondContact O-N 3.31Å; S283-I286 PolarHBondContact O-N 3.12Å; S283-T287 VanDerWaalsContact O-CB 3.31Å; S283-T287 WeakPolarHBondContact O-CB 3.5Å; S283-T287 VanDerWaalsContact O-CG2 3.32Å; S283-T287 WeakPolarHBondContact O-CG2 3.25Å; S283-T287 PolarHBondContact O-N 2.81Å; S283-T287 PolarHBondContact O-OG1 3.3Å |
| 284 | Y | 96.8 | Very high | 94.6 | Very high | 43 Ų | 43 | 46.9 Ų | 46.9 | 17% | 0.169 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.3 | -38.4 | 176.1 | -68 | -25.4 | 0 | 0 | 0 | 113.5 | L165 K280 E281 R282 I286 I288 L289 | L165-Y284 HydrophobicContact CD1-CD2 3.79Å; L165-Y284 HydrophobicContact CD1-CE2 4.25Å; L165-Y284 HydrophobicContact CD1-CG 4.03Å; K280-Y284 HydrophobicContact CD-CE2 4.35Å; K280-Y284 WeakPolarHBondContact CE-OH 3.47Å; K280-Y284 HydrophobicContact CG-CD2 4.42Å; K280-Y284 HydrophobicContact CG-CE2 3.9Å; K280-Y284 PolarHBondContact O-N 3.33Å; E281-Y284 WeakPolarHBondContact O-CB 3.37Å; E281-Y284 PolarHBondContact O-N 2.61Å; E281-Y284 VanDerWaalsContact O-N 3.08Å; R282-Y284 VanDerWaalsContact C-N 3.28Å; R282-Y284 PolarHBondContact O-N 2.78Å; Y284-I286 VanDerWaalsContact C-N 3.3Å; Y284-I286 PolarHBondContact O-N 3.15Å; Y284-I288 HydrophobicContact CD1-CD1 3.67Å; Y284-I288 HydrophobicContact CD1-CG1 4.48Å; Y284-I288 HydrophobicContact CE1-CD1 4.37Å; Y284-I288 HydrophobicContact CG-CD1 4.01Å; Y284-I288 WeakPolarHBondContact O-CA 3.36Å; Y284-I288 WeakPolarHBondContact O-CB 3.36Å; Y284-I288 WeakPolarHBondContact O-CG1 3.37Å; Y284-I288 PolarHBondContact O-N 3.24Å; Y284-L289 PolarHBondContact O-N 3.05Å |
| 285 | I | 97 | Very high | 95.1 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -56.6 | -49 | 173.6 | -63.7 | 169.1 | 0 | 0 | 0 | 109.7 | A191 M194 E281 R282 L289 V290 L315 L319 | A191-I285 HydrophobicContact CB-CG2 4.32Å; M194-I285 HydrophobicContact CB-CD1 3.97Å; M194-I285 HydrophobicContact CB-CG1 4.15Å; M194-I285 HydrophobicContact CE-CG1 3.94Å; M194-I285 HydrophobicContact SD-CG1 4.16Å; E281-I285 WeakPolarHBondContact O-CG1 3.49Å; E281-I285 PolarHBondContact O-N 3.18Å; R282-I285 PolarHBondContact O-N 2.74Å; I285-L289 HydrophobicContact CG1-CD1 4.33Å; I285-L289 WeakPolarHBondContact O-CB 3.49Å; I285-L289 PolarHBondContact O-N 3.06Å; I285-L289 VanDerWaalsContact O-N 3.1Å; I285-V290 PolarHBondContact O-N 3.08Å; I285-L315 HydrophobicContact CG2-CD1 4Å; I285-L319 HydrophobicContact CG2-CD2 3.7Å; I285-L319 HydrophobicContact CG2-CG 4.28Å |
| 286 | I | 96.7 | Very high | 95.6 | Very high | 31 Ų | 31 | 47 Ų | 47 | 16% | 0.159 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -68.8 | -47.2 | -178.3 | -66.1 | 168.6 | 0 | 0 | 0 | 112.2 | R282 S283 Y284 P291 L319 Y327 | R282-I286 HydrophobicContact CG-CD1 4.24Å; R282-I286 WeakPolarHBondContact O-CG1 3.28Å; R282-I286 PolarHBondContact O-N 3.29Å; R282-I286 VanDerWaalsContact O-N 3.09Å; S283-I286 PolarHBondContact O-N 3.12Å; Y284-I286 VanDerWaalsContact C-N 3.3Å; Y284-I286 PolarHBondContact O-N 3.15Å; I286-P291 VanDerWaalsContact O-CD 3.24Å; I286-P291 WeakPolarHBondContact O-CD 3.41Å; I286-L319 HydrophobicContact CG1-CD2 3.88Å; I286-Y327 HydrophobicContact CD1-CE2 4.09Å; I286-Y327 HydrophobicContact CG1-CE2 4Å; I286-Y327 HydrophobicContact CG2-CE1 3.87Å; I286-Y327 HydrophobicContact CG2-CE2 3.88Å; I286-Y327 VanDerWaalsContact CG2-CZ 3.44Å; I286-Y327 WeakPolarHBondContact CG2-OH 3.39Å |
| 287 | T | 96.6 | Very high | 95.9 | Very high | 83 Ų | 83 | 46.1 Ų | 46.1 | 51% | 0.509 | 24% | 0.238 | S | C | . | . | I | π-helix | trans | -87 | -15 | -171.2 | 59.7 | 0 | 0 | 0 | 0 | 113.8 | S283 | S283-T287 VanDerWaalsContact O-CB 3.31Å; S283-T287 WeakPolarHBondContact O-CB 3.5Å; S283-T287 VanDerWaalsContact O-CG2 3.32Å; S283-T287 WeakPolarHBondContact O-CG2 3.25Å; S283-T287 PolarHBondContact O-N 2.81Å; S283-T287 PolarHBondContact O-OG1 3.3Å |
| 288 | I | 97.4 | Very high | 96.1 | Very high | 6 Ų | 6 | 47.9 Ų | 47.9 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -122.3 | -61.6 | -175.2 | -47.6 | -178.1 | 0 | 0 | 0 | 110.5 | L165 R169 Y284 P291 L292 | L165-I288 HydrophobicContact CB-CD1 4.44Å; L165-I288 HydrophobicContact CD1-CD1 3.89Å; R169-I288 HydrophobicContact CG-CG2 4.15Å; Y284-I288 HydrophobicContact CD1-CD1 3.67Å; Y284-I288 HydrophobicContact CD1-CG1 4.48Å; Y284-I288 HydrophobicContact CE1-CD1 4.37Å; Y284-I288 HydrophobicContact CG-CD1 4.01Å; Y284-I288 WeakPolarHBondContact O-CA 3.36Å; Y284-I288 WeakPolarHBondContact O-CB 3.36Å; Y284-I288 WeakPolarHBondContact O-CG1 3.37Å; Y284-I288 PolarHBondContact O-N 3.24Å; I288-P291 WeakPolarHBondContact O-CD 3.41Å; I288-L292 HydrophobicContact CG2-CD1 4.47Å; I288-L292 WeakPolarHBondContact O-CG 3.27Å; I288-L292 PolarHBondContact O-N 3.17Å; I288-L292 VanDerWaalsContact O-N 3.14Å |
| 289 | L | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -68.6 | -44.3 | -171.9 | -55.9 | -163.9 | 0 | 0 | 0 | 111.8 | L165 L168 L187 L190 A191 M194 Y284 I285 L292 F293 | L165-L289 HydrophobicContact CD2-CD2 4Å; L168-L289 HydrophobicContact CD2-CD2 3.49Å; L168-L289 VanDerWaalsContact CD2-CD2 3.49Å; L187-L289 HydrophobicContact CD1-CB 4.14Å; L187-L289 HydrophobicContact CD1-CD1 4.25Å; L187-L289 HydrophobicContact CD1-CD2 3.76Å; L187-L289 HydrophobicContact CD1-CG 4.26Å; L190-L289 HydrophobicContact CD2-CD1 4.39Å; L190-L289 HydrophobicContact CD2-CD2 4.24Å; L190-L289 HydrophobicContact CG-CD1 4.31Å; A191-L289 HydrophobicContact CB-CD1 3.83Å; M194-L289 HydrophobicContact SD-CD1 3.68Å; M194-L289 HydrophobicContact SD-CG 4.33Å; Y284-L289 PolarHBondContact O-N 3.05Å; I285-L289 HydrophobicContact CG1-CD1 4.33Å; I285-L289 WeakPolarHBondContact O-CB 3.49Å; I285-L289 PolarHBondContact O-N 3.06Å; I285-L289 VanDerWaalsContact O-N 3.1Å; L289-L292 WeakPolarHBondContact O-CB 3.27Å; L289-L292 PolarHBondContact O-N 3.31Å; L289-L292 VanDerWaalsContact O-N 3.08Å; L289-F293 WeakPolarHBondContact O-CB 3.39Å; L289-F293 PolarHBondContact O-N 2.98Å |
| 290 | V | 97.1 | Very high | 96.7 | Very high | 9 Ų | 9 | 43.6 Ų | 43.6 | 6% | 0.055 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.1 | -50.5 | 177 | 167.8 | 0 | 0 | 0 | 0 | 111.5 | I285 L292 F293 V294 L319 Y327 | I285-V290 PolarHBondContact O-N 3.08Å; V290-L292 VanDerWaalsContact C-N 3.28Å; V290-L292 PolarHBondContact O-N 3.38Å; V290-F293 WeakPolarHBondContact O-CA 2.98Å; V290-F293 WeakPolarHBondContact O-CB 3.4Å; V290-F293 PolarHBondContact O-N 3.26Å; V290-V294 HydrophobicContact CG1-CG2 4.31Å; V290-V294 VanDerWaalsContact O-CG2 3.23Å; V290-V294 WeakPolarHBondContact O-CG2 3.32Å; V290-V294 PolarHBondContact O-N 3.44Å; V290-L319 HydrophobicContact CG2-CD1 4.1Å; V290-Y327 HydrophobicContact CG1-CD1 4.27Å; V290-Y327 HydrophobicContact CG1-CG 4.4Å |
| 291 | P | 97.6 | Very high | 97 | Very high | 57 Ų | 57 | 44.5 Ų | 44.5 | 37% | 0.37 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.1 | -26.6 | 173.9 | -28.8 | 35.7 | 0 | 0 | 0 | 115.9 | I286 I288 R295 | I286-P291 VanDerWaalsContact O-CD 3.24Å; I286-P291 WeakPolarHBondContact O-CD 3.41Å; I288-P291 WeakPolarHBondContact O-CD 3.41Å; P291-R295 PolarHBondContact O-NH1 3.46Å |
| 292 | L | 97.9 | Very high | 97.1 | Very high | 6 Ų | 6 | 47.7 Ų | 47.7 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -71.4 | -43.5 | 170.3 | -68.5 | -173.2 | 0 | 0 | 0 | 110.6 | L168 R169 A172 L187 I288 L289 V290 R295 L296 | L168-L292 HydrophobicContact CD2-CD1 3.96Å; L168-L292 HydrophobicContact CG-CD1 3.9Å; R169-L292 HydrophobicContact CB-CD2 4.46Å; R169-L292 HydrophobicContact CG-CD1 4.11Å; R169-L292 HydrophobicContact CG-CD2 4.12Å; R169-L292 HydrophobicContact CG-CG 4.47Å; A172-L292 HydrophobicContact CB-CB 4.43Å; A172-L292 HydrophobicContact CB-CD1 4.13Å; A172-L292 HydrophobicContact CB-CD2 3.75Å; A172-L292 HydrophobicContact CB-CG 4.31Å; L187-L292 HydrophobicContact CD2-CB 3.99Å; I288-L292 HydrophobicContact CG2-CD1 4.47Å; I288-L292 WeakPolarHBondContact O-CG 3.27Å; I288-L292 PolarHBondContact O-N 3.17Å; I288-L292 VanDerWaalsContact O-N 3.14Å; L289-L292 WeakPolarHBondContact O-CB 3.27Å; L289-L292 PolarHBondContact O-N 3.31Å; L289-L292 VanDerWaalsContact O-N 3.08Å; V290-L292 VanDerWaalsContact C-N 3.28Å; V290-L292 PolarHBondContact O-N 3.38Å; L292-R295 WeakPolarHBondContact O-CB 3.41Å; L292-R295 PolarHBondContact O-N 2.69Å; L292-L296 WeakPolarHBondContact O-CG 3.29Å; L292-L296 PolarHBondContact O-N 3.45Å; L292-L296 VanDerWaalsContact O-N 3.1Å |
| 293 | F | 96.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.5 | -47.2 | 179 | -167.5 | -93 | 0 | 0 | 0 | 111.8 | L187 L289 V290 R295 L296 V297 A308 I312 L315 L331 | L187-F293 HydrophobicContact CD2-CB 3.75Å; L187-F293 HydrophobicContact CD2-CD2 3.91Å; L187-F293 HydrophobicContact CD2-CG 4.34Å; L187-F293 HydrophobicContact CG-CD2 4.49Å; L289-F293 WeakPolarHBondContact O-CB 3.39Å; L289-F293 PolarHBondContact O-N 2.98Å; V290-F293 WeakPolarHBondContact O-CA 2.98Å; V290-F293 WeakPolarHBondContact O-CB 3.4Å; V290-F293 PolarHBondContact O-N 3.26Å; F293-R295 VanDerWaalsContact C-N 3.26Å; F293-R295 PolarHBondContact O-N 3.03Å; F293-L296 PolarHBondContact O-N 3.31Å; F293-V297 HydrophobicContact CD1-CG2 3.87Å; F293-V297 HydrophobicContact CE1-CG2 3.31Å; F293-V297 HydrophobicContact CE2-CG2 4.46Å; F293-V297 HydrophobicContact CZ-CG2 3.6Å; F293-V297 WeakPolarHBondContact O-CG2 3.27Å; F293-V297 PolarHBondContact O-N 2.82Å; F293-A308 HydrophobicContact CE2-CB 4.29Å; F293-A308 WeakPolarHBondContact CE2-O 3.48Å; F293-A308 HydrophobicContact CZ-CB 4.35Å; F293-A308 WeakPolarHBondContact CZ-O 3.3Å; F293-I312 HydrophobicContact CE1-CD1 4.3Å; F293-I312 HydrophobicContact CE1-CG1 3.64Å; F293-I312 HydrophobicContact CE2-CG1 4.36Å; F293-I312 HydrophobicContact CZ-CB 4.31Å; F293-I312 HydrophobicContact CZ-CD1 4.21Å; F293-I312 HydrophobicContact CZ-CG1 3.27Å; F293-L315 HydrophobicContact CB-CD2 3.93Å; F293-L315 HydrophobicContact CD1-CD2 3.79Å; F293-L315 HydrophobicContact CD2-CD2 3.82Å; F293-L315 HydrophobicContact CE1-CD2 4.36Å; F293-L315 HydrophobicContact CE2-CD2 4.4Å; F293-L315 HydrophobicContact CG-CD2 3.53Å; F293-L331 HydrophobicContact CD1-CD1 3.63Å; F293-L331 HydrophobicContact CE1-CD1 4.01Å |
| 294 | V | 97.2 | Very high | 97.4 | Very high | 63 Ų | 63 | 42.1 Ų | 42.1 | 38% | 0.382 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -51.6 | -45 | 174 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | V290 D298 L331 | V290-V294 HydrophobicContact CG1-CG2 4.31Å; V290-V294 VanDerWaalsContact O-CG2 3.23Å; V290-V294 WeakPolarHBondContact O-CG2 3.32Å; V290-V294 PolarHBondContact O-N 3.44Å; V294-D298 PolarHBondContact O-N 3.16Å; V294-L331 HydrophobicContact CB-CD2 4.35Å; V294-L331 HydrophobicContact CG1-CD2 4.28Å; V294-L331 HydrophobicContact CG2-CD1 3.8Å; V294-L331 HydrophobicContact CG2-CD2 4Å; V294-L331 HydrophobicContact CG2-CG 4.43Å |
| 295 | R | 97.5 | Very high | 97.4 | Very high | 99 Ų | 99 | 40.4 Ų | 40.4 | 37% | 0.374 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65 | -42.4 | 178.2 | 177 | -174.7 | -62.9 | 86 | 10.9 | 112.4 | P291 L292 F293 D298 D299 | P291-R295 PolarHBondContact O-NH1 3.46Å; L292-R295 WeakPolarHBondContact O-CB 3.41Å; L292-R295 PolarHBondContact O-N 2.69Å; F293-R295 VanDerWaalsContact C-N 3.26Å; F293-R295 PolarHBondContact O-N 3.03Å; R295-D298 CarbonylContact O-C 3.59Å; R295-D298 PolarHBondContact O-N 2.59Å; R295-D299 PolarHBondContact O-N 3.12Å |
| 296 | L | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -73.6 | -32 | -175.9 | -66.1 | 166.1 | 0 | 0 | 0 | 111.9 | R180 V183 A184 L187 L292 F293 D298 D299 V304 A308 | R180-L296 HydrophobicContact CB-CD2 3.98Å; V183-L296 HydrophobicContact CB-CD1 4.47Å; V183-L296 HydrophobicContact CG1-CD1 3.96Å; A184-L296 HydrophobicContact CB-CB 4.23Å; A184-L296 HydrophobicContact CB-CD1 4.04Å; A184-L296 HydrophobicContact CB-CD2 4.45Å; A184-L296 HydrophobicContact CB-CG 4.47Å; L187-L296 HydrophobicContact CD2-CD1 4.04Å; L292-L296 WeakPolarHBondContact O-CG 3.29Å; L292-L296 PolarHBondContact O-N 3.45Å; L292-L296 VanDerWaalsContact O-N 3.1Å; F293-L296 PolarHBondContact O-N 3.31Å; L296-D298 VanDerWaalsContact C-N 3.26Å; L296-D298 PolarHBondContact O-N 3.29Å; L296-D299 WeakPolarHBondContact O-CB 3.34Å; L296-D299 PolarHBondContact O-N 2.9Å; L296-V304 HydrophobicContact CB-CG1 4.31Å; L296-V304 HydrophobicContact CD2-CG1 3.72Å; L296-A308 HydrophobicContact CB-CB 4.07Å |
| 297 | V | 97.1 | Very high | 97.5 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.3 | -27.5 | 171.3 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | F293 R305 A308 Q334 | F293-V297 HydrophobicContact CD1-CG2 3.87Å; F293-V297 HydrophobicContact CE1-CG2 3.31Å; F293-V297 HydrophobicContact CE2-CG2 4.46Å; F293-V297 HydrophobicContact CZ-CG2 3.6Å; F293-V297 WeakPolarHBondContact O-CG2 3.27Å; F293-V297 PolarHBondContact O-N 2.82Å; V297-R305 WeakPolarHBondContact O-CD 3.48Å; V297-R305 WeakPolarHBondContact O-CG 3.43Å; V297-A308 HydrophobicContact CG2-CB 3.7Å; V297-Q334 HydrophobicContact CG1-CG 4.45Å |
| 298 | D | 96.8 | Very high | 97.6 | Very high | 114 Ų | 114 | 37.4 Ų | 37.4 | 61% | 0.61 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 12.2 | 176.7 | -162.1 | 47.3 | 0 | 0 | 0 | 113.5 | V294 R295 L296 Q334 | V294-D298 PolarHBondContact O-N 3.16Å; R295-D298 CarbonylContact O-C 3.59Å; R295-D298 PolarHBondContact O-N 2.59Å; L296-D298 VanDerWaalsContact C-N 3.26Å; L296-D298 PolarHBondContact O-N 3.29Å; D298-Q334 PolarHBondContact OD1-NE2 3.17Å |
| 299 | D | 98.2 | Very high | 97.6 | Very high | 10 Ų | 10 | 37.2 Ų | 37.2 | 5% | 0.053 | 19% | 0.189 | C | C | . | . | trans | -62.9 | 143.6 | -174.7 | -160 | -67.6 | 0 | 0 | 0 | 112.4 | R180 R295 L296 Q301 V304 R305 | R180-D299 IonicContact CZ-OD1 2.59Å; R180-D299 IonicContact CZ-OD2 2.91Å; R180-D299 IonicContact NE-OD1 2.83Å; R180-D299 IonicContact NE-OD2 3.27Å; R180-D299 PolarHBondContact NE-OD2 3Å; R180-D299 IonicContact NH2-OD1 3.76Å; R180-D299 PolarHBondContact NH2-OD1 2.96Å; R180-D299 IonicContact NH2-OD2 2.99Å; R180-D299 PolarHBondContact NH2-OD2 3.27Å; R295-D299 PolarHBondContact O-N 3.12Å; L296-D299 WeakPolarHBondContact O-CB 3.34Å; L296-D299 PolarHBondContact O-N 2.9Å; D299-Q301 PolarHBondContact O-N 3.49Å; D299-Q301 WeakPolarHBondContact OD1-CB 3.41Å; D299-Q301 PolarHBondContact OD1-N 3.14Å; D299-V304 HydrophobicContact CB-CB 3.81Å; D299-V304 HydrophobicContact CB-CG1 3.69Å; D299-R305 HydrophobicContact CB-CG 4.11Å; D299-R305 WeakPolarHBondContact O-CD 3.45Å; D299-R305 VanDerWaalsContact O-CG 3.25Å; D299-R305 WeakPolarHBondContact O-CG 3.47Å; D299-R305 PolarHBondContact O-NH1 2.79Å | ||
| 300 | E | 97.1 | Very high | 97.4 | Very high | 160 Ų | 160 | 41.2 Ų | 41.2 | 75% | 0.748 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -59.7 | -29.9 | 176.9 | -63.4 | -174.6 | 165.4 | 0 | 0 | 112.3 | R305 R339 | E300-R305 PolarHBondContact O-NH1 3.39Å; E300-R339 PolarHBondContact O-NH2 3.36Å |
| 301 | Q | 97.9 | Very high | 97.4 | Very high | 86 Ų | 86 | 40.9 Ų | 40.9 | 40% | 0.402 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -89.9 | 119.8 | -177.1 | -63.3 | -71.2 | -11.1 | 0 | 0 | 111 | P177 D299 S303 V304 R305 | P177-Q301 HydrophobicContact CB-CB 4.3Å; P177-Q301 HydrophobicContact CB-CG 3.81Å; P177-Q301 HydrophobicContact CG-CG 3.78Å; D299-Q301 PolarHBondContact O-N 3.49Å; D299-Q301 WeakPolarHBondContact OD1-CB 3.41Å; D299-Q301 PolarHBondContact OD1-N 3.14Å; Q301-S303 PolarHBondContact O-N 3.4Å; Q301-V304 HydrophobicContact CB-CB 4.42Å; Q301-V304 HydrophobicContact CB-CG2 3.84Å; Q301-V304 PolarHBondContact O-N 2.81Å; Q301-V304 VanDerWaalsContact O-N 3.08Å; Q301-R305 PolarHBondContact O-N 3.28Å |
| 302 | E | 97.8 | Very high | 97.3 | Very high | 68 Ų | 68 | 38.2 Ų | 38.2 | 32% | 0.318 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -54.1 | -41.7 | 179.9 | -179.3 | -174.7 | 87.8 | 0 | 0 | 112.4 | V304 R305 L306 S340 V343 | E302-V304 PolarHBondContact O-N 3.5Å; E302-R305 PolarHBondContact O-N 2.95Å; E302-L306 HydrophobicContact CG-CD1 4.06Å; E302-L306 HydrophobicContact CG-CG 4.32Å; E302-L306 WeakPolarHBondContact O-CG 3.21Å; E302-L306 PolarHBondContact O-N 3.18Å; E302-S340 VanDerWaalsContact CD-OG 3.27Å; E302-S340 WeakPolarHBondContact OE2-CB 3.5Å; E302-S340 PolarHBondContact OE2-OG 3Å; E302-V343 HydrophobicContact CG-CG2 4.24Å |
| 303 | S | 97.5 | Very high | 97.3 | Very high | 45 Ų | 45 | 38.2 Ų | 38.2 | 32% | 0.315 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.2 | -28.4 | -178.8 | 63.5 | 0 | 0 | 0 | 0 | 113.5 | Q301 M307 | Q301-S303 PolarHBondContact O-N 3.4Å; S303-M307 WeakPolarHBondContact O-CG 3.21Å |
| 304 | V | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -74.7 | -48.1 | 174.5 | -178.9 | 0 | 0 | 0 | 0 | 109.8 | P177 R180 R181 A184 L296 D299 Q301 E302 L306 M307 A308 | P177-V304 HydrophobicContact CB-CG2 4.46Å; R180-V304 HydrophobicContact CB-CG1 4.17Å; R180-V304 HydrophobicContact CB-CG2 4.17Å; R181-V304 HydrophobicContact CB-CG2 3.98Å; A184-V304 HydrophobicContact CB-CG1 4.2Å; L296-V304 HydrophobicContact CB-CG1 4.31Å; L296-V304 HydrophobicContact CD2-CG1 3.72Å; D299-V304 HydrophobicContact CB-CB 3.81Å; D299-V304 HydrophobicContact CB-CG1 3.69Å; Q301-V304 HydrophobicContact CB-CB 4.42Å; Q301-V304 HydrophobicContact CB-CG2 3.84Å; Q301-V304 PolarHBondContact O-N 2.81Å; Q301-V304 VanDerWaalsContact O-N 3.08Å; E302-V304 PolarHBondContact O-N 3.5Å; V304-L306 VanDerWaalsContact C-N 3.3Å; V304-L306 PolarHBondContact O-N 3.17Å; V304-M307 PolarHBondContact O-N 3.12Å; V304-A308 PolarHBondContact O-N 3.44Å |
| 305 | R | 98.1 | Very high | 97.3 | Very high | 7 Ų | 7 | 38.3 Ų | 38.3 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.2 | -40.4 | 178.6 | -60.4 | -159.8 | -55.5 | -67.1 | -4.6 | 112.3 | V297 D299 E300 Q301 E302 M307 A308 V309 D338 V343 | V297-R305 WeakPolarHBondContact O-CD 3.48Å; V297-R305 WeakPolarHBondContact O-CG 3.43Å; D299-R305 HydrophobicContact CB-CG 4.11Å; D299-R305 WeakPolarHBondContact O-CD 3.45Å; D299-R305 VanDerWaalsContact O-CG 3.25Å; D299-R305 WeakPolarHBondContact O-CG 3.47Å; D299-R305 PolarHBondContact O-NH1 2.79Å; E300-R305 PolarHBondContact O-NH1 3.39Å; Q301-R305 PolarHBondContact O-N 3.28Å; E302-R305 PolarHBondContact O-N 2.95Å; R305-M307 PolarHBondContact O-N 3.08Å; R305-A308 WeakPolarHBondContact O-CB 3.13Å; R305-A308 PolarHBondContact O-N 2.84Å; R305-V309 WeakPolarHBondContact O-CG2 3.48Å; R305-V309 PolarHBondContact O-N 2.75Å; R305-D338 WeakPolarHBondContact CD-OD2 3.47Å; R305-D338 IonicContact CZ-OD1 2.66Å; R305-D338 IonicContact CZ-OD2 2.81Å; R305-D338 IonicContact NE-OD1 3.1Å; R305-D338 PolarHBondContact NE-OD1 2.95Å; R305-D338 IonicContact NE-OD2 3.75Å; R305-D338 PolarHBondContact NE-OD2 2.85Å; R305-D338 IonicContact NH2-OD1 3.45Å; R305-D338 PolarHBondContact NH2-OD1 3.45Å; R305-D338 IonicContact NH2-OD2 3.85Å; R305-V343 HydrophobicContact CB-CG2 4.16Å |
| 306 | L | 97.9 | Very high | 97.2 | Very high | 29 Ų | 29 | 33.6 Ų | 33.6 | 15% | 0.152 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55 | -52 | 175.7 | -75.8 | 167.8 | 0 | 0 | 0 | 111.8 | E302 V304 A308 V309 E310 R342 V343 V346 | E302-L306 HydrophobicContact CG-CD1 4.06Å; E302-L306 HydrophobicContact CG-CG 4.32Å; E302-L306 WeakPolarHBondContact O-CG 3.21Å; E302-L306 PolarHBondContact O-N 3.18Å; V304-L306 VanDerWaalsContact C-N 3.3Å; V304-L306 PolarHBondContact O-N 3.17Å; L306-A308 VanDerWaalsContact C-N 3.31Å; L306-A308 PolarHBondContact O-N 3.4Å; L306-V309 PolarHBondContact O-N 2.94Å; L306-E310 PolarHBondContact O-N 3.06Å; L306-R342 HydrophobicContact CD2-CB 4.13Å; L306-V343 HydrophobicContact CD2-CB 4.35Å; L306-V343 HydrophobicContact CD2-CG2 3.81Å; L306-V343 HydrophobicContact CG-CG2 3.93Å; L306-V346 HydrophobicContact CD2-CB 4.28Å; L306-V346 HydrophobicContact CD2-CG2 3.52Å |
| 307 | M | 97.6 | Very high | 97.2 | Very high | 25 Ų | 25 | 38.5 Ų | 38.5 | 12% | 0.123 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.4 | -30.3 | -179.9 | -58.5 | -63.2 | 85.7 | 0 | 0 | 112.5 | R181 A184 A185 S303 V304 R305 E310 S311 | R181-M307 HydrophobicContact CG-CB 4.34Å; R181-M307 HydrophobicContact CG-CG 3.53Å; A184-M307 HydrophobicContact CB-CB 3.98Å; A185-M307 HydrophobicContact CB-CB 4.02Å; A185-M307 HydrophobicContact CB-CG 4.27Å; A185-M307 HydrophobicContact CB-SD 4.39Å; S303-M307 WeakPolarHBondContact O-CG 3.21Å; V304-M307 PolarHBondContact O-N 3.12Å; R305-M307 PolarHBondContact O-N 3.08Å; M307-E310 VanDerWaalsContact CE-CD 3.45Å; M307-E310 HydrophobicContact CE-CG 4.48Å; M307-E310 VanDerWaalsContact CE-OE1 3.23Å; M307-E310 WeakPolarHBondContact CE-OE1 3.5Å; M307-E310 WeakPolarHBondContact CE-OE2 3.43Å; M307-S311 PolarHBondContact O-N 3.06Å |
| 308 | A | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.4 | -49.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | A184 F293 L296 V297 V304 R305 L306 E310 S311 I312 | A184-A308 HydrophobicContact CB-CB 4.09Å; F293-A308 HydrophobicContact CE2-CB 4.29Å; F293-A308 WeakPolarHBondContact CE2-O 3.48Å; F293-A308 HydrophobicContact CZ-CB 4.35Å; F293-A308 WeakPolarHBondContact CZ-O 3.3Å; L296-A308 HydrophobicContact CB-CB 4.07Å; V297-A308 HydrophobicContact CG2-CB 3.7Å; V304-A308 PolarHBondContact O-N 3.44Å; R305-A308 WeakPolarHBondContact O-CB 3.13Å; R305-A308 PolarHBondContact O-N 2.84Å; L306-A308 VanDerWaalsContact C-N 3.31Å; L306-A308 PolarHBondContact O-N 3.4Å; A308-E310 VanDerWaalsContact C-N 3.31Å; A308-E310 PolarHBondContact O-N 2.96Å; A308-S311 WeakPolarHBondContact O-CB 3.44Å; A308-S311 PolarHBondContact O-N 3.47Å; A308-I312 PolarHBondContact O-N 2.97Å |
| 309 | V | 97.3 | Very high | 97 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.3 | -40.2 | 179 | 173.6 | 0 | 0 | 0 | 0 | 112.4 | R305 L306 S311 I312 A335 V343 V346 V347 | R305-V309 WeakPolarHBondContact O-CG2 3.48Å; R305-V309 PolarHBondContact O-N 2.75Å; L306-V309 PolarHBondContact O-N 2.94Å; V309-S311 VanDerWaalsContact C-N 3.28Å; V309-S311 PolarHBondContact O-N 3.42Å; V309-I312 HydrophobicContact CB-CD1 4.44Å; V309-I312 HydrophobicContact CG1-CD1 4.33Å; V309-I312 HydrophobicContact CG2-CD1 4.41Å; V309-I312 WeakPolarHBondContact O-CB 3.3Å; V309-I312 WeakPolarHBondContact O-CG1 3.31Å; V309-I312 PolarHBondContact O-N 3.1Å; V309-I312 VanDerWaalsContact O-N 3.15Å; V309-A335 HydrophobicContact CG1-CB 4.5Å; V309-A335 HydrophobicContact CG2-CB 3.74Å; V309-V343 HydrophobicContact CG2-CG1 3.82Å; V309-V346 HydrophobicContact CB-CG1 4.29Å; V309-V346 HydrophobicContact CG1-CB 4.43Å; V309-V346 HydrophobicContact CG1-CG1 3.87Å; V309-V347 HydrophobicContact CG1-CB 3.76Å; V309-V347 HydrophobicContact CG1-CG2 4.36Å |
| 310 | E | 95.3 | Very high | 96.8 | Very high | 84 Ų | 84 | 33.9 Ų | 33.9 | 39% | 0.393 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -58.9 | -39.2 | 175 | -70.9 | 179.5 | -172.3 | 0 | 0 | 112.5 | L306 M307 A308 I312 V346 | L306-E310 PolarHBondContact O-N 3.06Å; M307-E310 VanDerWaalsContact CE-CD 3.45Å; M307-E310 HydrophobicContact CE-CG 4.48Å; M307-E310 VanDerWaalsContact CE-OE1 3.23Å; M307-E310 WeakPolarHBondContact CE-OE1 3.5Å; M307-E310 WeakPolarHBondContact CE-OE2 3.43Å; A308-E310 VanDerWaalsContact C-N 3.31Å; A308-E310 PolarHBondContact O-N 2.96Å; E310-I312 VanDerWaalsContact C-N 3.27Å; E310-I312 PolarHBondContact O-N 3.32Å; E310-V346 HydrophobicContact CG-CG1 3.7Å |
| 311 | S | 96 | Very high | 96.5 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -72.8 | -10 | 178.5 | -78 | 0 | 0 | 0 | 0 | 114.8 | A184 M307 A308 V309 V313 Q314 L315 | A184-S311 VanDerWaalsContact O-CB 3.31Å; A184-S311 WeakPolarHBondContact O-CB 3.44Å; A184-S311 PolarHBondContact O-OG 3.37Å; M307-S311 PolarHBondContact O-N 3.06Å; A308-S311 WeakPolarHBondContact O-CB 3.44Å; A308-S311 PolarHBondContact O-N 3.47Å; V309-S311 VanDerWaalsContact C-N 3.28Å; V309-S311 PolarHBondContact O-N 3.42Å; S311-V313 VanDerWaalsContact C-N 3.25Å; S311-V313 PolarHBondContact O-N 3.36Å; S311-Q314 PolarHBondContact O-N 3.12Å; S311-L315 PolarHBondContact O-N 3.23Å; S311-L315 VanDerWaalsContact O-N 3.14Å |
| 312 | I | 96.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.8 | -41.6 | 178.8 | -67.5 | 179.6 | 0 | 0 | 0 | 111 | F293 A308 V309 E310 Q314 L315 A316 I332 I354 | F293-I312 HydrophobicContact CE1-CD1 4.3Å; F293-I312 HydrophobicContact CE1-CG1 3.64Å; F293-I312 HydrophobicContact CE2-CG1 4.36Å; F293-I312 HydrophobicContact CZ-CB 4.31Å; F293-I312 HydrophobicContact CZ-CD1 4.21Å; F293-I312 HydrophobicContact CZ-CG1 3.27Å; A308-I312 PolarHBondContact O-N 2.97Å; V309-I312 HydrophobicContact CB-CD1 4.44Å; V309-I312 HydrophobicContact CG1-CD1 4.33Å; V309-I312 HydrophobicContact CG2-CD1 4.41Å; V309-I312 WeakPolarHBondContact O-CB 3.3Å; V309-I312 WeakPolarHBondContact O-CG1 3.31Å; V309-I312 PolarHBondContact O-N 3.1Å; V309-I312 VanDerWaalsContact O-N 3.15Å; E310-I312 VanDerWaalsContact C-N 3.27Å; E310-I312 PolarHBondContact O-N 3.32Å; I312-Q314 PolarHBondContact O-N 3.14Å; I312-L315 PolarHBondContact O-N 3.02Å; I312-A316 WeakPolarHBondContact O-CB 3.5Å; I312-A316 PolarHBondContact O-N 3.35Å; I312-I332 HydrophobicContact CD1-CG1 4.24Å; I312-I332 HydrophobicContact CG2-CD1 4.21Å; I312-I332 HydrophobicContact CG2-CG1 3.97Å; I312-I354 HydrophobicContact CG2-CD1 4.11Å; I312-I354 HydrophobicContact CG2-CG1 4.14Å |
| 313 | V | 96.8 | Very high | 96.1 | Very high | 7 Ų | 7 | 31.4 Ų | 31.4 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.7 | -50.4 | -174.7 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | S311 A316 Q317 K350 E353 I354 | S311-V313 VanDerWaalsContact C-N 3.25Å; S311-V313 PolarHBondContact O-N 3.36Å; V313-A316 PolarHBondContact O-N 2.87Å; V313-Q317 VanDerWaalsContact O-CG 3.29Å; V313-Q317 WeakPolarHBondContact O-CG 3.46Å; V313-Q317 PolarHBondContact O-N 2.93Å; V313-K350 HydrophobicContact CG2-CB 4.28Å; V313-E353 HydrophobicContact CG1-CB 3.89Å; V313-E353 HydrophobicContact CG2-CB 3.8Å; V313-I354 HydrophobicContact CG2-CG1 3.93Å |
| 314 | Q | 96.9 | Very high | 96 | Very high | 64 Ų | 64 | 29.2 Ų | 29.2 | 30% | 0.299 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -69.3 | -36.8 | -179.2 | -67 | 176 | -27.1 | 0 | 0 | 112 | L192 S311 I312 Q317 A318 | L192-Q314 HydrophobicContact CD1-CB 3.67Å; L192-Q314 HydrophobicContact CD1-CG 3.72Å; L192-Q314 HydrophobicContact CG-CB 4.12Å; S311-Q314 PolarHBondContact O-N 3.12Å; I312-Q314 PolarHBondContact O-N 3.14Å; Q314-Q317 PolarHBondContact O-N 3.41Å; Q314-A318 PolarHBondContact O-N 3.38Å |
| 315 | L | 96.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.2 | -40.5 | 174.9 | -176 | 58.6 | 0 | 0 | 0 | 111.6 | A191 I285 F293 S311 I312 A318 L319 L328 | A191-L315 HydrophobicContact CB-CD1 3.75Å; I285-L315 HydrophobicContact CG2-CD1 4Å; F293-L315 HydrophobicContact CB-CD2 3.93Å; F293-L315 HydrophobicContact CD1-CD2 3.79Å; F293-L315 HydrophobicContact CD2-CD2 3.82Å; F293-L315 HydrophobicContact CE1-CD2 4.36Å; F293-L315 HydrophobicContact CE2-CD2 4.4Å; F293-L315 HydrophobicContact CG-CD2 3.53Å; S311-L315 PolarHBondContact O-N 3.23Å; S311-L315 VanDerWaalsContact O-N 3.14Å; I312-L315 PolarHBondContact O-N 3.02Å; L315-A318 PolarHBondContact O-N 2.92Å; L315-L319 HydrophobicContact CD1-CD1 4.39Å; L315-L319 HydrophobicContact CD1-CG 4.49Å; L315-L319 HydrophobicContact CG-CD1 4.27Å; L315-L319 WeakPolarHBondContact O-CG 3.48Å; L315-L319 PolarHBondContact O-N 3.47Å; L315-L319 VanDerWaalsContact O-N 3.08Å; L315-L328 HydrophobicContact CD2-CD2 3.68Å; L315-L328 HydrophobicContact CG-CD1 4.21Å; L315-L328 HydrophobicContact CG-CD2 4.15Å |
| 316 | A | 96.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.5 | -40.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I312 V313 A318 L319 G320 S324 L328 A357 | I312-A316 WeakPolarHBondContact O-CB 3.5Å; I312-A316 PolarHBondContact O-N 3.35Å; V313-A316 PolarHBondContact O-N 2.87Å; A316-A318 VanDerWaalsContact C-N 3.33Å; A316-A318 PolarHBondContact O-N 3.28Å; A316-L319 PolarHBondContact O-N 3.23Å; A316-G320 PolarHBondContact O-N 3Å; A316-S324 VanDerWaalsContact CA-OG 3.26Å; A316-S324 WeakPolarHBondContact CA-OG 3.44Å; A316-S324 PolarHBondContact O-OG 3.17Å; A316-S324 VanDerWaalsContact O-OG 3.06Å; A316-L328 HydrophobicContact CB-CD1 3.72Å; A316-A357 HydrophobicContact CB-CB 3.78Å |
| 317 | Q | 96.3 | Very high | 95.7 | Very high | 103 Ų | 103 | 36.7 Ų | 36.7 | 48% | 0.481 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.7 | -40.6 | 173.9 | -72.7 | 168 | -7.3 | 0 | 0 | 112.2 | L192 V313 Q314 A357 | L192-Q317 HydrophobicContact CD2-CB 3.85Å; V313-Q317 VanDerWaalsContact O-CG 3.29Å; V313-Q317 WeakPolarHBondContact O-CG 3.46Å; V313-Q317 PolarHBondContact O-N 2.93Å; Q314-Q317 PolarHBondContact O-N 3.41Å; Q317-A357 HydrophobicContact CG-CB 3.87Å |
| 318 | A | 95.9 | Very high | 95.7 | Very high | 7 Ų | 7 | 35.6 Ų | 35.6 | 6% | 0.058 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.6 | -37.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A191 L192 Q314 L315 A316 | A191-A318 HydrophobicContact CB-CB 3.77Å; L192-A318 HydrophobicContact CD2-CB 4.14Å; Q314-A318 PolarHBondContact O-N 3.38Å; L315-A318 PolarHBondContact O-N 2.92Å; A316-A318 VanDerWaalsContact C-N 3.33Å; A316-A318 PolarHBondContact O-N 3.28Å |
| 319 | L | 95.2 | Very high | 95.6 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -77.3 | -35.2 | 178.4 | -70.9 | 173.6 | 0 | 0 | 0 | 112.4 | R282 I285 I286 V290 L315 A316 E323 L328 | R282-L319 PolarHBondContact NH2-O 3.2Å; I285-L319 HydrophobicContact CG2-CD2 3.7Å; I285-L319 HydrophobicContact CG2-CG 4.28Å; I286-L319 HydrophobicContact CG1-CD2 3.88Å; V290-L319 HydrophobicContact CG2-CD1 4.1Å; L315-L319 HydrophobicContact CD1-CD1 4.39Å; L315-L319 HydrophobicContact CD1-CG 4.49Å; L315-L319 HydrophobicContact CG-CD1 4.27Å; L315-L319 WeakPolarHBondContact O-CG 3.48Å; L315-L319 PolarHBondContact O-N 3.47Å; L315-L319 VanDerWaalsContact O-N 3.08Å; A316-L319 PolarHBondContact O-N 3.23Å; L319-E323 HydrophobicContact CB-CB 3.94Å; L319-E323 HydrophobicContact CD2-CB 4.35Å; L319-L328 HydrophobicContact CD1-CD1 4.03Å; L319-L328 HydrophobicContact CD1-CD2 4.26Å; L319-L328 HydrophobicContact CD1-CG 4.03Å |
| 320 | G | 92.8 | Very high | 95.6 | Very high | 19 Ų | 19 | 40.9 Ų | 40.9 | 20% | 0.196 | 22% | 0.219 | C | C | . | . | trans | 80.5 | 172.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A316 E322 S324 | A316-G320 PolarHBondContact O-N 3Å; G320-E322 PolarHBondContact O-N 3.19Å; G320-S324 WeakPolarHBondContact O-CB 3.47Å; G320-S324 PolarHBondContact O-N 2.97Å; G320-S324 PolarHBondContact O-OG 3.11Å | ||
| 321 | P | 92.1 | Very high | 95.7 | Very high | 61 Ų | 61 | 37.3 Ų | 37.3 | 40% | 0.396 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -54.7 | -49.5 | -170 | -33.8 | 40 | 0 | 0 | 0 | 116.1 | S324 E325 M358 | P321-S324 PolarHBondContact O-N 2.71Å; P321-E325 PolarHBondContact O-N 3.24Å; P321-M358 VanDerWaalsContact CB-O 3.28Å; P321-M358 WeakPolarHBondContact CB-O 3.39Å |
| 322 | E | 91.7 | Very high | 95.7 | Very high | 159 Ų | 159 | 37.2 Ų | 37.2 | 74% | 0.743 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -68.3 | -46.5 | -171.8 | -62.9 | -175.2 | 171.2 | 0 | 0 | 112 | G320 E325 G326 | G320-E322 PolarHBondContact O-N 3.19Å; E322-E325 PolarHBondContact O-N 2.87Å; E322-G326 PolarHBondContact O-N 2.91Å |
| 323 | E | 94.7 | Very high | 95.8 | Very high | 42 Ų | 42 | 41.3 Ų | 41.3 | 20% | 0.196 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -72 | -35.2 | 176.9 | -76.2 | 178.3 | -169.5 | 0 | 0 | 112 | R282 L319 E325 G326 Y327 | R282-E323 IonicContact CZ-OE1 3.98Å; R282-E323 IonicContact CZ-OE2 2.84Å; R282-E323 VanDerWaalsContact NE-CD 3.34Å; R282-E323 IonicContact NE-OE1 2.68Å; R282-E323 PolarHBondContact NE-OE1 3.26Å; R282-E323 IonicContact NE-OE2 3.03Å; R282-E323 PolarHBondContact NE-OE2 3.26Å; R282-E323 IonicContact NH1-OE2 3.78Å; R282-E323 IonicContact NH2-OE1 3.85Å; R282-E323 PolarHBondContact NH2-OE1 3.36Å; R282-E323 IonicContact NH2-OE2 3.94Å; R282-E323 PolarHBondContact NH2-OE2 3.29Å; L319-E323 HydrophobicContact CB-CB 3.94Å; L319-E323 HydrophobicContact CD2-CB 4.35Å; E323-E325 VanDerWaalsContact C-N 3.27Å; E323-E325 PolarHBondContact O-N 2.87Å; E323-G326 PolarHBondContact O-N 3.03Å; E323-G326 VanDerWaalsContact O-N 3.1Å; E323-Y327 HydrophobicContact CB-CD2 4.05Å; E323-Y327 HydrophobicContact CB-CE2 4.22Å; E323-Y327 HydrophobicContact CG-CE2 4.24Å; E323-Y327 WeakPolarHBondContact O-CD2 3.3Å; E323-Y327 PolarHBondContact O-N 3.03Å |
| 324 | S | 95.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.9 | -39.3 | 174.1 | -64.5 | 0 | 0 | 0 | 0 | 111.7 | A316 G320 P321 L328 I329 M358 | A316-S324 VanDerWaalsContact CA-OG 3.26Å; A316-S324 WeakPolarHBondContact CA-OG 3.44Å; A316-S324 PolarHBondContact O-OG 3.17Å; A316-S324 VanDerWaalsContact O-OG 3.06Å; G320-S324 WeakPolarHBondContact O-CB 3.47Å; G320-S324 PolarHBondContact O-N 2.97Å; G320-S324 PolarHBondContact O-OG 3.11Å; P321-S324 PolarHBondContact O-N 2.71Å; S324-L328 WeakPolarHBondContact O-CA 3.45Å; S324-L328 VanDerWaalsContact O-CB 3.25Å; S324-L328 WeakPolarHBondContact O-CB 3.47Å; S324-L328 PolarHBondContact O-N 3.23Å; S324-I329 PolarHBondContact O-N 3.21Å; S324-M358 WeakPolarHBondContact O-CE 3.28Å |
| 325 | E | 96.4 | Very high | 95.9 | Very high | 33 Ų | 33 | 40.5 Ų | 40.5 | 15% | 0.154 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.8 | -46.5 | 172.6 | -174.8 | 178.7 | -171.5 | 0 | 0 | 111.4 | P321 E322 E323 I329 R361 V362 R366 | P321-E325 PolarHBondContact O-N 3.24Å; E322-E325 PolarHBondContact O-N 2.87Å; E323-E325 VanDerWaalsContact C-N 3.27Å; E323-E325 PolarHBondContact O-N 2.87Å; E325-I329 VanDerWaalsContact O-CB 3.27Å; E325-I329 WeakPolarHBondContact O-CB 3.24Å; E325-I329 WeakPolarHBondContact O-CG2 3.4Å; E325-R361 IonicContact OE1-NH1 3.29Å; E325-R361 IonicContact OE2-CZ 2.9Å; E325-R361 IonicContact OE2-NH1 2.59Å; E325-R361 PolarHBondContact OE2-NH1 2.94Å; E325-R361 IonicContact OE2-NH2 3.86Å; E325-R361 PolarHBondContact OE2-NH2 3.36Å; E325-V362 HydrophobicContact CB-CG1 4.08Å; E325-V362 HydrophobicContact CB-CG2 3.9Å; E325-V362 HydrophobicContact CG-CG1 4.1Å; E325-V362 HydrophobicContact CG-CG2 4.34Å; E325-R366 WeakPolarHBondContact OE1-CG 3.44Å; E325-R366 IonicContact OE1-NH1 2.84Å |
| 326 | G | 95.5 | Very high | 96 | Very high | 59 Ų | 59 | 40.5 Ų | 40.5 | 61% | 0.608 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -66.7 | -37.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | E322 E323 | E322-G326 PolarHBondContact O-N 2.91Å; E323-G326 PolarHBondContact O-N 3.03Å; E323-G326 VanDerWaalsContact O-N 3.1Å |
| 327 | Y | 96 | Very high | 96 | Very high | 101 Ų | 101 | 43.4 Ų | 43.4 | 40% | 0.396 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -107 | -26.9 | -170.5 | -65.1 | -63.6 | 0 | 0 | 0 | 114.9 | I286 V290 E323 | I286-Y327 HydrophobicContact CD1-CE2 4.09Å; I286-Y327 HydrophobicContact CG1-CE2 4Å; I286-Y327 HydrophobicContact CG2-CE1 3.87Å; I286-Y327 HydrophobicContact CG2-CE2 3.88Å; I286-Y327 VanDerWaalsContact CG2-CZ 3.44Å; I286-Y327 WeakPolarHBondContact CG2-OH 3.39Å; V290-Y327 HydrophobicContact CG1-CD1 4.27Å; V290-Y327 HydrophobicContact CG1-CG 4.4Å; E323-Y327 HydrophobicContact CB-CD2 4.05Å; E323-Y327 HydrophobicContact CB-CE2 4.22Å; E323-Y327 HydrophobicContact CG-CE2 4.24Å; E323-Y327 WeakPolarHBondContact O-CD2 3.3Å; E323-Y327 PolarHBondContact O-N 3.03Å |
| 328 | L | 96.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -110.7 | -16.8 | -171.1 | -52.8 | -177.1 | 0 | 0 | 0 | 113.7 | L315 A316 L319 S324 D330 L331 I332 | L315-L328 HydrophobicContact CD2-CD2 3.68Å; L315-L328 HydrophobicContact CG-CD1 4.21Å; L315-L328 HydrophobicContact CG-CD2 4.15Å; A316-L328 HydrophobicContact CB-CD1 3.72Å; L319-L328 HydrophobicContact CD1-CD1 4.03Å; L319-L328 HydrophobicContact CD1-CD2 4.26Å; L319-L328 HydrophobicContact CD1-CG 4.03Å; S324-L328 WeakPolarHBondContact O-CA 3.45Å; S324-L328 VanDerWaalsContact O-CB 3.25Å; S324-L328 WeakPolarHBondContact O-CB 3.47Å; S324-L328 PolarHBondContact O-N 3.23Å; L328-D330 VanDerWaalsContact C-N 3.34Å; L328-D330 PolarHBondContact O-N 2.94Å; L328-L331 HydrophobicContact CD2-CD1 4.16Å; L328-L331 WeakPolarHBondContact O-CB 3.26Å; L328-L331 PolarHBondContact O-N 3.49Å; L328-L331 VanDerWaalsContact O-N 3.1Å; L328-I332 HydrophobicContact CB-CD1 4.19Å; L328-I332 WeakPolarHBondContact O-CG1 3.37Å; L328-I332 PolarHBondContact O-N 3.4Å |
| 329 | I | 97.1 | Very high | 96.2 | Very high | 7 Ų | 7 | 47.3 Ų | 47.3 | 4% | 0.036 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.2 | -41.8 | -173 | -161.2 | 67.3 | 0 | 0 | 0 | 112.7 | S324 E325 L331 I332 Q333 M358 V362 R366 L367 F370 | S324-I329 PolarHBondContact O-N 3.21Å; E325-I329 VanDerWaalsContact O-CB 3.27Å; E325-I329 WeakPolarHBondContact O-CB 3.24Å; E325-I329 WeakPolarHBondContact O-CG2 3.4Å; I329-L331 VanDerWaalsContact C-N 3.3Å; I329-L331 PolarHBondContact O-N 3.04Å; I329-I332 PolarHBondContact O-N 3.46Å; I329-Q333 WeakPolarHBondContact O-CB 3.13Å; I329-Q333 PolarHBondContact O-N 3.38Å; I329-M358 HydrophobicContact CD1-CE 3.98Å; I329-V362 HydrophobicContact CD1-CG1 4.27Å; I329-R366 HydrophobicContact CD1-CB 3.55Å; I329-R366 HydrophobicContact CD1-CG 4.43Å; I329-R366 HydrophobicContact CG1-CB 4.01Å; I329-L367 HydrophobicContact CD1-CD2 3.65Å; I329-F370 HydrophobicContact CD1-CE2 3.69Å; I329-F370 HydrophobicContact CD1-CZ 4.39Å; I329-F370 HydrophobicContact CG1-CE2 3.94Å; I329-F370 HydrophobicContact CG1-CZ 4.21Å |
| 330 | D | 96.6 | Very high | 96.3 | Very high | 105 Ų | 105 | 47.5 Ų | 47.5 | 56% | 0.561 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -70.4 | -30.6 | 179.1 | -67.4 | -18.2 | 0 | 0 | 0 | 111.3 | L328 Q333 Q334 | L328-D330 VanDerWaalsContact C-N 3.34Å; L328-D330 PolarHBondContact O-N 2.94Å; D330-Q333 WeakPolarHBondContact O-CB 3.48Å; D330-Q333 PolarHBondContact O-N 3.27Å; D330-Q334 WeakPolarHBondContact O-CB 3.37Å; D330-Q334 PolarHBondContact O-N 3.02Å |
| 331 | L | 96.6 | Very high | 96.5 | Very high | 10 Ų | 10 | 50.5 Ų | 50.5 | 5% | 0.052 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -72.6 | -39.5 | 175.9 | -57.5 | -177.3 | 0 | 0 | 0 | 111.7 | F293 V294 L328 I329 Q333 Q334 A335 | F293-L331 HydrophobicContact CD1-CD1 3.63Å; F293-L331 HydrophobicContact CE1-CD1 4.01Å; V294-L331 HydrophobicContact CB-CD2 4.35Å; V294-L331 HydrophobicContact CG1-CD2 4.28Å; V294-L331 HydrophobicContact CG2-CD1 3.8Å; V294-L331 HydrophobicContact CG2-CD2 4Å; V294-L331 HydrophobicContact CG2-CG 4.43Å; L328-L331 HydrophobicContact CD2-CD1 4.16Å; L328-L331 WeakPolarHBondContact O-CB 3.26Å; L328-L331 PolarHBondContact O-N 3.49Å; L328-L331 VanDerWaalsContact O-N 3.1Å; I329-L331 VanDerWaalsContact C-N 3.3Å; I329-L331 PolarHBondContact O-N 3.04Å; L331-Q333 VanDerWaalsContact C-N 3.33Å; L331-Q334 WeakPolarHBondContact O-CB 3.37Å; L331-Q334 PolarHBondContact O-N 3.48Å; L331-A335 WeakPolarHBondContact O-CB 3.5Å; L331-A335 PolarHBondContact O-N 3.19Å |
| 332 | I | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 173 | -66.1 | 159.7 | 0 | 0 | 0 | 109.3 | I312 L328 I329 Q334 A335 T336 I354 M358 L367 F370 | I312-I332 HydrophobicContact CD1-CG1 4.24Å; I312-I332 HydrophobicContact CG2-CD1 4.21Å; I312-I332 HydrophobicContact CG2-CG1 3.97Å; L328-I332 HydrophobicContact CB-CD1 4.19Å; L328-I332 WeakPolarHBondContact O-CG1 3.37Å; L328-I332 PolarHBondContact O-N 3.4Å; I329-I332 PolarHBondContact O-N 3.46Å; I332-Q334 PolarHBondContact O-N 3.26Å; I332-A335 PolarHBondContact O-N 2.98Å; I332-T336 HydrophobicContact CG2-CG2 4.45Å; I332-T336 VanDerWaalsContact O-CG2 3.22Å; I332-T336 WeakPolarHBondContact O-CG2 3.28Å; I332-T336 PolarHBondContact O-N 3.46Å; I332-I354 HydrophobicContact CD1-CG2 3.63Å; I332-I354 HydrophobicContact CG1-CG2 4.32Å; I332-M358 HydrophobicContact CD1-CE 3.86Å; I332-M358 HydrophobicContact CD1-SD 3.32Å; I332-M358 WeakPolarHBondContact CD1-SD 3.49Å; I332-L367 HydrophobicContact CG2-CD2 4.13Å; I332-F370 HydrophobicContact CG2-CD2 3.98Å; I332-F370 HydrophobicContact CG2-CE2 4.4Å |
| 333 | Q | 98 | Very high | 97.2 | Very high | 87 Ų | 87 | 45.8 Ų | 45.8 | 41% | 0.407 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.2 | -48.9 | 173.9 | -172.1 | 176.1 | 0.4 | 0 | 0 | 111.2 | I329 D330 L331 A335 T336 T337 F370 | I329-Q333 WeakPolarHBondContact O-CB 3.13Å; I329-Q333 PolarHBondContact O-N 3.38Å; D330-Q333 WeakPolarHBondContact O-CB 3.48Å; D330-Q333 PolarHBondContact O-N 3.27Å; L331-Q333 VanDerWaalsContact C-N 3.33Å; Q333-A335 VanDerWaalsContact C-N 3.33Å; Q333-A335 PolarHBondContact O-N 2.88Å; Q333-T336 PolarHBondContact O-N 3.09Å; Q333-T336 PolarHBondContact O-OG1 2.95Å; Q333-T337 WeakPolarHBondContact O-CG2 3.33Å; Q333-T337 PolarHBondContact O-N 2.97Å; Q333-T337 PolarHBondContact O-OG1 2.98Å; Q333-T337 VanDerWaalsContact O-OG1 3.14Å; Q333-F370 HydrophobicContact CB-CE1 3.88Å; Q333-F370 HydrophobicContact CB-CE2 3.92Å; Q333-F370 HydrophobicContact CB-CZ 3.54Å; Q333-F370 HydrophobicContact CG-CD1 4.24Å; Q333-F370 HydrophobicContact CG-CE1 3.64Å; Q333-F370 HydrophobicContact CG-CZ 3.83Å |
| 334 | Q | 97.3 | Very high | 97.3 | Very high | 53 Ų | 53 | 44.4 Ų | 44.4 | 25% | 0.248 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54 | -50.1 | 175.6 | -179.9 | 178.9 | -0.2 | 0 | 0 | 110.8 | V297 D298 D330 L331 I332 T336 T337 D338 | V297-Q334 HydrophobicContact CG1-CG 4.45Å; D298-Q334 PolarHBondContact OD1-NE2 3.17Å; D330-Q334 WeakPolarHBondContact O-CB 3.37Å; D330-Q334 PolarHBondContact O-N 3.02Å; L331-Q334 WeakPolarHBondContact O-CB 3.37Å; L331-Q334 PolarHBondContact O-N 3.48Å; I332-Q334 PolarHBondContact O-N 3.26Å; Q334-T336 PolarHBondContact O-N 3.47Å; Q334-T337 CarbonylContact O-C 3.54Å; Q334-T337 VanDerWaalsContact O-C 3.26Å; Q334-T337 WeakPolarHBondContact O-CA 3.37Å; Q334-T337 PolarHBondContact O-N 2.82Å; Q334-T337 PolarHBondContact O-OG1 2.99Å; Q334-D338 PolarHBondContact O-N 3.42Å |
| 335 | A | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60 | -40.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V309 L331 I332 Q333 T337 D338 V347 | V309-A335 HydrophobicContact CG1-CB 4.5Å; V309-A335 HydrophobicContact CG2-CB 3.74Å; L331-A335 WeakPolarHBondContact O-CB 3.5Å; L331-A335 PolarHBondContact O-N 3.19Å; I332-A335 PolarHBondContact O-N 2.98Å; Q333-A335 VanDerWaalsContact C-N 3.33Å; Q333-A335 PolarHBondContact O-N 2.88Å; A335-T337 PolarHBondContact O-N 3.3Å; A335-T337 VanDerWaalsContact O-N 3.14Å; A335-D338 PolarHBondContact O-N 3.45Å; A335-V347 HydrophobicContact CB-CB 4.16Å; A335-V347 HydrophobicContact CB-CG1 4.36Å; A335-V347 HydrophobicContact CB-CG2 4.13Å |
| 336 | T | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67 | -11.2 | 175.6 | 67 | 0 | 0 | 0 | 0 | 113.9 | I332 Q333 Q334 R344 V347 F351 F370 L374 | I332-T336 HydrophobicContact CG2-CG2 4.45Å; I332-T336 VanDerWaalsContact O-CG2 3.22Å; I332-T336 WeakPolarHBondContact O-CG2 3.28Å; I332-T336 PolarHBondContact O-N 3.46Å; Q333-T336 PolarHBondContact O-N 3.09Å; Q333-T336 PolarHBondContact O-OG1 2.95Å; Q334-T336 PolarHBondContact O-N 3.47Å; T336-R344 WeakPolarHBondContact O-CD 3.23Å; T336-V347 HydrophobicContact CG2-CG1 4.16Å; T336-V347 HydrophobicContact CG2-CG2 4.06Å; T336-F351 HydrophobicContact CG2-CE2 4.03Å; T336-F370 HydrophobicContact CG2-CB 3.86Å; T336-L374 HydrophobicContact CG2-CD1 4.08Å; T336-L374 HydrophobicContact CG2-CG 4.38Å |
| 337 | T | 97.5 | Very high | 97.7 | Very high | 61 Ų | 61 | 41.7 Ų | 41.7 | 37% | 0.374 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.6 | 16.6 | -179.2 | 65.2 | 0 | 0 | 0 | 0 | 112.6 | Q333 Q334 A335 K373 | Q333-T337 WeakPolarHBondContact O-CG2 3.33Å; Q333-T337 PolarHBondContact O-N 2.97Å; Q333-T337 PolarHBondContact O-OG1 2.98Å; Q333-T337 VanDerWaalsContact O-OG1 3.14Å; Q334-T337 CarbonylContact O-C 3.54Å; Q334-T337 VanDerWaalsContact O-C 3.26Å; Q334-T337 WeakPolarHBondContact O-CA 3.37Å; Q334-T337 PolarHBondContact O-N 2.82Å; Q334-T337 PolarHBondContact O-OG1 2.99Å; A335-T337 PolarHBondContact O-N 3.3Å; A335-T337 VanDerWaalsContact O-N 3.14Å; T337-K373 HydrophobicContact CG2-CD 3.81Å |
| 338 | D | 98.4 | Very high | 97.8 | Very high | 12 Ų | 12 | 36.9 Ų | 36.9 | 6% | 0.064 | 17% | 0.167 | C | C | . | . | trans | -59.5 | 146.3 | -178.5 | -167 | -83.5 | 0 | 0 | 0 | 110.2 | R305 Q334 A335 S340 V343 R344 | R305-D338 WeakPolarHBondContact CD-OD2 3.47Å; R305-D338 IonicContact CZ-OD1 2.66Å; R305-D338 IonicContact CZ-OD2 2.81Å; R305-D338 IonicContact NE-OD1 3.1Å; R305-D338 PolarHBondContact NE-OD1 2.95Å; R305-D338 IonicContact NE-OD2 3.75Å; R305-D338 PolarHBondContact NE-OD2 2.85Å; R305-D338 IonicContact NH2-OD1 3.45Å; R305-D338 PolarHBondContact NH2-OD1 3.45Å; R305-D338 IonicContact NH2-OD2 3.85Å; Q334-D338 PolarHBondContact O-N 3.42Å; A335-D338 PolarHBondContact O-N 3.45Å; D338-S340 PolarHBondContact O-N 3.11Å; D338-S340 WeakPolarHBondContact OD1-CB 3.28Å; D338-S340 PolarHBondContact OD1-N 3.46Å; D338-V343 HydrophobicContact CB-CB 3.83Å; D338-V343 HydrophobicContact CB-CG1 3.66Å; D338-R344 HydrophobicContact CB-CG 4.26Å; D338-R344 WeakPolarHBondContact O-CD 3.26Å; D338-R344 PolarHBondContact O-NH1 3.33Å | ||
| 339 | R | 96.8 | Very high | 97.8 | Very high | 180 Ų | 180 | 38.8 Ų | 38.8 | 68% | 0.679 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -58.4 | -28.1 | 175.7 | 59.8 | -178.3 | 173.9 | 152.2 | 1.6 | 113.3 | E300 | E300-R339 PolarHBondContact O-NH2 3.36Š|
| 340 | S | 97.9 | Very high | 97.8 | Very high | 7 Ų | 7 | 40.9 Ų | 40.9 | 5% | 0.049 | 19% | 0.186 | C | C | . | . | trans | -91.3 | 120.7 | 175.7 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | E302 D338 R342 V343 R344 | E302-S340 VanDerWaalsContact CD-OG 3.27Å; E302-S340 WeakPolarHBondContact OE2-CB 3.5Å; E302-S340 PolarHBondContact OE2-OG 3Å; D338-S340 PolarHBondContact O-N 3.11Å; D338-S340 WeakPolarHBondContact OD1-CB 3.28Å; D338-S340 PolarHBondContact OD1-N 3.46Å; S340-R342 PolarHBondContact O-N 3.36Å; S340-R342 PolarHBondContact OG-N 3.44Å; S340-V343 PolarHBondContact O-N 3.45Å; S340-V343 VanDerWaalsContact O-N 3.14Å; S340-R344 PolarHBondContact O-N 2.67Å; S340-R344 VanDerWaalsContact O-N 3.16Å | ||
| 341 | W | 98.1 | Very high | 97.9 | Very high | 82 Ų | 82 | 35.9 Ų | 35.9 | 31% | 0.311 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -60.1 | -27.1 | 172.2 | 69.1 | -97.8 | 0 | 0 | 0 | 112.5 | R344 C345 E379 E381 V382 | W341-R344 CarbonylContact O-C 3.54Å; W341-R344 PolarHBondContact O-N 3.01Å; W341-C345 PolarHBondContact O-N 3.01Å; W341-C345 PolarHBondContact O-SG 2.71Å; W341-E379 HydrophobicContact CB-CB 4.13Å; W341-E379 HydrophobicContact CB-CG 3.72Å; W341-E379 HydrophobicContact CG-CG 4.23Å; W341-E381 HydrophobicContact CE3-CB 4.08Å; W341-E381 HydrophobicContact CH2-CG 4.47Å; W341-E381 HydrophobicContact CZ3-CB 3.82Å; W341-E381 HydrophobicContact CZ3-CG 4.04Å; W341-V382 HydrophobicContact CB-CG2 4.07Å; W341-V382 WeakPolarHBondContact O-CG2 3.28Å |
| 342 | R | 98.3 | Very high | 97.9 | Very high | 119 Ų | 119 | 35.9 Ų | 35.9 | 45% | 0.449 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -66.3 | -41.5 | 176 | -67.7 | -174.4 | 171.7 | 82.5 | 4.7 | 111.4 | L306 S340 R344 C345 V346 | L306-R342 HydrophobicContact CD2-CB 4.13Å; S340-R342 PolarHBondContact O-N 3.36Å; S340-R342 PolarHBondContact OG-N 3.44Å; R342-R344 VanDerWaalsContact C-N 3.3Å; R342-C345 WeakPolarHBondContact O-CB 3.46Å; R342-C345 PolarHBondContact O-N 2.99Å; R342-V346 WeakPolarHBondContact O-CG2 3.17Å; R342-V346 PolarHBondContact O-N 3.23Å |
| 343 | V | 98.3 | Very high | 97.9 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.4 | -41.9 | 174.5 | 178.4 | 0 | 0 | 0 | 0 | 109.9 | E302 R305 L306 V309 D338 S340 C345 V346 V347 | E302-V343 HydrophobicContact CG-CG2 4.24Å; R305-V343 HydrophobicContact CB-CG2 4.16Å; L306-V343 HydrophobicContact CD2-CB 4.35Å; L306-V343 HydrophobicContact CD2-CG2 3.81Å; L306-V343 HydrophobicContact CG-CG2 3.93Å; V309-V343 HydrophobicContact CG2-CG1 3.82Å; D338-V343 HydrophobicContact CB-CB 3.83Å; D338-V343 HydrophobicContact CB-CG1 3.66Å; S340-V343 PolarHBondContact O-N 3.45Å; S340-V343 VanDerWaalsContact O-N 3.14Å; V343-C345 VanDerWaalsContact C-N 3.34Å; V343-C345 PolarHBondContact O-N 3.28Å; V343-V346 PolarHBondContact O-N 3.17Å; V343-V347 PolarHBondContact O-N 2.67Å |
| 344 | R | 98.5 | Very high | 97.8 | Very high | 13 Ų | 13 | 35.3 Ų | 35.3 | 5% | 0.049 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.4 | -37.2 | 174.2 | -58.2 | -162.1 | -55 | -96.6 | 10.6 | 112.7 | T336 D338 S340 W341 R342 V347 A348 L374 D377 E378 V382 | T336-R344 WeakPolarHBondContact O-CD 3.23Å; D338-R344 HydrophobicContact CB-CG 4.26Å; D338-R344 WeakPolarHBondContact O-CD 3.26Å; D338-R344 PolarHBondContact O-NH1 3.33Å; S340-R344 PolarHBondContact O-N 2.67Å; S340-R344 VanDerWaalsContact O-N 3.16Å; W341-R344 CarbonylContact O-C 3.54Å; W341-R344 PolarHBondContact O-N 3.01Å; R342-R344 VanDerWaalsContact C-N 3.3Å; R344-V347 WeakPolarHBondContact O-CG1 3.48Å; R344-A348 WeakPolarHBondContact O-CB 3.48Å; R344-A348 PolarHBondContact O-N 3.32Å; R344-L374 HydrophobicContact CB-CD2 4.36Å; R344-D377 WeakPolarHBondContact CD-OD2 3.04Å; R344-D377 IonicContact CZ-OD1 3.78Å; R344-D377 IonicContact CZ-OD2 2.69Å; R344-D377 IonicContact NE-OD1 3.24Å; R344-D377 PolarHBondContact NE-OD1 2.72Å; R344-D377 IonicContact NE-OD2 3.77Å; R344-D377 PolarHBondContact NE-OD2 3Å; R344-D377 IonicContact NH2-OD1 2.83Å; R344-D377 PolarHBondContact NH2-OD1 2.92Å; R344-D377 IonicContact NH2-OD2 3.83Å; R344-E378 IonicContact NH2-OE1 2.93Å; R344-E378 PolarHBondContact NH2-OE1 3.26Å; R344-V382 HydrophobicContact CB-CG1 3.98Å; R344-V382 HydrophobicContact CB-CG2 3.85Å |
| 345 | C | 98.4 | Very high | 97.8 | Very high | 8 Ų | 8 | 32.9 Ų | 32.9 | 5% | 0.054 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.2 | -44.7 | 172.5 | -73.2 | 0 | 0 | 0 | 0 | 112 | W341 R342 V343 A348 D349 V382 F385 | W341-C345 PolarHBondContact O-N 3.01Å; W341-C345 PolarHBondContact O-SG 2.71Å; R342-C345 WeakPolarHBondContact O-CB 3.46Å; R342-C345 PolarHBondContact O-N 2.99Å; V343-C345 VanDerWaalsContact C-N 3.34Å; V343-C345 PolarHBondContact O-N 3.28Å; C345-A348 WeakPolarHBondContact O-CB 3.48Å; C345-A348 PolarHBondContact O-N 3.1Å; C345-D349 PolarHBondContact O-N 3.39Å; C345-V382 VanDerWaalsContact SG-CG2 3.58Å; C345-F385 HydrophobicContact CB-CD2 3.79Å; C345-F385 HydrophobicContact CB-CE2 3.98Å; C345-F385 HydrophobicContact CB-CG 4.38Å |
| 346 | V | 98.2 | Very high | 97.7 | Very high | 27 Ų | 27 | 37.2 Ų | 37.2 | 16% | 0.164 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.1 | -44.8 | 179.6 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | L306 V309 E310 R342 V343 A348 D349 K350 | L306-V346 HydrophobicContact CD2-CB 4.28Å; L306-V346 HydrophobicContact CD2-CG2 3.52Å; V309-V346 HydrophobicContact CB-CG1 4.29Å; V309-V346 HydrophobicContact CG1-CB 4.43Å; V309-V346 HydrophobicContact CG1-CG1 3.87Å; E310-V346 HydrophobicContact CG-CG1 3.7Å; R342-V346 WeakPolarHBondContact O-CG2 3.17Å; R342-V346 PolarHBondContact O-N 3.23Å; V343-V346 PolarHBondContact O-N 3.17Å; V346-A348 VanDerWaalsContact C-N 3.31Å; V346-A348 PolarHBondContact O-N 3.03Å; V346-D349 PolarHBondContact O-N 3.34Å; V346-K350 WeakPolarHBondContact O-CB 3.4Å; V346-K350 WeakPolarHBondContact O-CG 3.31Å; V346-K350 PolarHBondContact O-N 2.74Å |
| 347 | V | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.6 | -33.2 | 175.7 | 67.5 | 0 | 0 | 0 | 0 | 112 | V309 A335 T336 V343 R344 F351 I354 L374 | V309-V347 HydrophobicContact CG1-CB 3.76Å; V309-V347 HydrophobicContact CG1-CG2 4.36Å; A335-V347 HydrophobicContact CB-CB 4.16Å; A335-V347 HydrophobicContact CB-CG1 4.36Å; A335-V347 HydrophobicContact CB-CG2 4.13Å; T336-V347 HydrophobicContact CG2-CG1 4.16Å; T336-V347 HydrophobicContact CG2-CG2 4.06Å; V343-V347 PolarHBondContact O-N 2.67Å; R344-V347 WeakPolarHBondContact O-CG1 3.48Å; V347-F351 HydrophobicContact CG2-CD2 4.39Å; V347-F351 WeakPolarHBondContact O-CA 3.4Å; V347-F351 VanDerWaalsContact O-CB 3.29Å; V347-F351 WeakPolarHBondContact O-CB 3.45Å; V347-F351 PolarHBondContact O-N 3.21Å; V347-I354 HydrophobicContact CG2-CD1 4.14Å; V347-L374 HydrophobicContact CG1-CD1 4.46Å; V347-L374 HydrophobicContact CG1-CD2 4.32Å |
| 348 | A | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.2 | -41.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | R344 C345 V346 F351 L374 F385 | R344-A348 WeakPolarHBondContact O-CB 3.48Å; R344-A348 PolarHBondContact O-N 3.32Å; C345-A348 WeakPolarHBondContact O-CB 3.48Å; C345-A348 PolarHBondContact O-N 3.1Å; V346-A348 VanDerWaalsContact C-N 3.31Å; V346-A348 PolarHBondContact O-N 3.03Å; A348-F351 WeakPolarHBondContact O-CB 3.17Å; A348-F351 PolarHBondContact O-N 3.2Å; A348-L374 HydrophobicContact CB-CD1 3.96Å; A348-L374 HydrophobicContact CB-CD2 4.36Å; A348-F385 HydrophobicContact CB-CB 3.84Å |
| 349 | D | 97.7 | Very high | 97.1 | Very high | 41 Ų | 41 | 35.2 Ų | 35.2 | 22% | 0.219 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.3 | -42.4 | 176.8 | -175.8 | 47.5 | 0 | 0 | 0 | 112.1 | C345 V346 F351 F385 K389 | C345-D349 PolarHBondContact O-N 3.39Å; V346-D349 PolarHBondContact O-N 3.34Å; D349-F351 VanDerWaalsContact C-N 3.31Å; D349-F351 PolarHBondContact O-N 3.4Å; D349-F385 HydrophobicContact CB-CD1 3.85Å; D349-F385 HydrophobicContact CB-CE1 4.18Å; D349-K389 VanDerWaalsContact O-CE 3.22Å; D349-K389 WeakPolarHBondContact O-CE 3.48Å; D349-K389 PolarHBondContact O-NZ 3Å; D349-K389 WeakPolarHBondContact OD1-CE 3.12Å; D349-K389 IonicContact OD1-NZ 2.71Å; D349-K389 PolarHBondContact OD1-NZ 3.25Å |
| 350 | K | 96.9 | Very high | 96.9 | Very high | 51 Ų | 51 | 29.8 Ų | 29.8 | 22% | 0.222 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -82.8 | -2.1 | 179 | -63.4 | -58.4 | 179.7 | 180 | 0 | 114.7 | V313 V346 T352 E353 I354 | V313-K350 HydrophobicContact CG2-CB 4.28Å; V346-K350 WeakPolarHBondContact O-CB 3.4Å; V346-K350 WeakPolarHBondContact O-CG 3.31Å; V346-K350 PolarHBondContact O-N 2.74Å; K350-T352 VanDerWaalsContact C-N 3.32Å; K350-T352 PolarHBondContact O-N 3.26Å; K350-E353 WeakPolarHBondContact CD-OE1 3.31Å; K350-E353 IonicContact NZ-OE1 3.93Å; K350-E353 PolarHBondContact NZ-OE1 3.09Å; K350-E353 IonicContact NZ-OE2 3.97Å; K350-E353 WeakPolarHBondContact O-CB 3.46Å; K350-E353 PolarHBondContact O-N 3.41Å; K350-E353 VanDerWaalsContact O-N 3.13Å; K350-I354 HydrophobicContact CB-CD1 4.43Å; K350-I354 WeakPolarHBondContact O-CG1 3.4Å; K350-I354 PolarHBondContact O-N 3.29Å |
| 351 | F | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.8 | -40.5 | -167.6 | -154.7 | -84.7 | 0 | 0 | 0 | 113.3 | T336 V347 A348 D349 I354 Q355 L367 F370 F371 L374 F393 | T336-F351 HydrophobicContact CG2-CE2 4.03Å; V347-F351 HydrophobicContact CG2-CD2 4.39Å; V347-F351 WeakPolarHBondContact O-CA 3.4Å; V347-F351 VanDerWaalsContact O-CB 3.29Å; V347-F351 WeakPolarHBondContact O-CB 3.45Å; V347-F351 PolarHBondContact O-N 3.21Å; A348-F351 WeakPolarHBondContact O-CB 3.17Å; A348-F351 PolarHBondContact O-N 3.2Å; D349-F351 VanDerWaalsContact C-N 3.31Å; D349-F351 PolarHBondContact O-N 3.4Å; F351-I354 WeakPolarHBondContact O-CB 3.3Å; F351-I354 PolarHBondContact O-N 2.99Å; F351-Q355 HydrophobicContact CD1-CG 3.98Å; F351-Q355 HydrophobicContact CE1-CG 3.97Å; F351-Q355 WeakPolarHBondContact O-CG 3.3Å; F351-Q355 PolarHBondContact O-N 3.23Å; F351-L367 HydrophobicContact CE1-CB 4Å; F351-L367 HydrophobicContact CZ-CB 3.99Å; F351-L367 HydrophobicContact CZ-CD2 4.45Å; F351-L367 WeakPolarHBondContact CZ-O 3.24Å; F351-F370 HydrophobicContact CE2-CB 3.97Å; F351-F370 HydrophobicContact CZ-CB 3.89Å; F351-F371 HydrophobicContact CB-CD2 4.25Å; F351-F371 HydrophobicContact CB-CE2 4.47Å; F351-F371 HydrophobicContact CD1-CB 4.12Å; F351-F371 AromaticContact CD1-CD2 3.53Å; F351-F371 HydrophobicContact CD1-CD2 3.53Å; F351-F371 HydrophobicContact CD1-CE2 4.34Å; F351-F371 HydrophobicContact CD1-CG 4.18Å; F351-F371 HydrophobicContact CD2-CD2 4.34Å; F351-F371 HydrophobicContact CE1-CB 3.62Å; F351-F371 AromaticContact CE1-CD2 3.96Å; F351-F371 HydrophobicContact CE1-CD2 3.96Å; F351-F371 HydrophobicContact CE1-CG 4.17Å; F351-F371 HydrophobicContact CE2-CB 4.47Å; F351-F371 AromaticContact CG-CD2 3.76Å; F351-F371 HydrophobicContact CG-CD2 3.76Å; F351-F371 HydrophobicContact CG-CE2 4.44Å; F351-F371 HydrophobicContact CZ-CB 3.81Å; F351-L374 HydrophobicContact CD2-CD1 3.61Å; F351-L374 HydrophobicContact CE2-CD1 3.93Å; F351-L374 HydrophobicContact CG-CD1 4.47Å; F351-F393 HydrophobicContact CD1-CD2 4.17Å; F351-F393 HydrophobicContact CD1-CE2 4.32Å; F351-F393 HydrophobicContact CE1-CD2 4.28Å; F351-F393 AromaticContact CE1-CE2 3.97Å; F351-F393 HydrophobicContact CE1-CE2 3.97Å |
| 352 | T | 97 | Very high | 96.5 | Very high | 10 Ų | 10 | 30.7 Ų | 30.7 | 6% | 0.061 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -73.9 | -30.9 | -178.4 | 52.4 | 0 | 0 | 0 | 0 | 112.6 | K350 Q355 T356 K389 A392 F393 | K350-T352 VanDerWaalsContact C-N 3.32Å; K350-T352 PolarHBondContact O-N 3.26Å; T352-Q355 PolarHBondContact O-N 3.48Å; T352-T356 PolarHBondContact O-N 3.3Å; T352-T356 PolarHBondContact O-OG1 3.33Å; T352-K389 HydrophobicContact CG2-CB 4.12Å; T352-K389 HydrophobicContact CG2-CD 4.45Å; T352-A392 HydrophobicContact CG2-CB 3.71Å; T352-F393 HydrophobicContact CG2-CB 4.3Å |
| 353 | E | 96.7 | Very high | 96.3 | Very high | 75 Ų | 75 | 25.1 Ų | 25.1 | 35% | 0.35 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -66.6 | -41.6 | 171 | -63.3 | 177 | -120 | 0 | 0 | 110.2 | V313 K350 T356 A357 | V313-E353 HydrophobicContact CG1-CB 3.89Å; V313-E353 HydrophobicContact CG2-CB 3.8Å; K350-E353 WeakPolarHBondContact CD-OE1 3.31Å; K350-E353 IonicContact NZ-OE1 3.93Å; K350-E353 PolarHBondContact NZ-OE1 3.09Å; K350-E353 IonicContact NZ-OE2 3.97Å; K350-E353 WeakPolarHBondContact O-CB 3.46Å; K350-E353 PolarHBondContact O-N 3.41Å; K350-E353 VanDerWaalsContact O-N 3.13Å; E353-T356 PolarHBondContact O-N 3.24Å; E353-A357 WeakPolarHBondContact O-CB 3.44Å; E353-A357 PolarHBondContact O-N 3.39Å |
| 354 | I | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.9 | -47.5 | 172.5 | -64.6 | 169.7 | 0 | 0 | 0 | 110.7 | I312 V313 I332 V347 K350 F351 T356 A357 M358 L367 | I312-I354 HydrophobicContact CG2-CD1 4.11Å; I312-I354 HydrophobicContact CG2-CG1 4.14Å; V313-I354 HydrophobicContact CG2-CG1 3.93Å; I332-I354 HydrophobicContact CD1-CG2 3.63Å; I332-I354 HydrophobicContact CG1-CG2 4.32Å; V347-I354 HydrophobicContact CG2-CD1 4.14Å; K350-I354 HydrophobicContact CB-CD1 4.43Å; K350-I354 WeakPolarHBondContact O-CG1 3.4Å; K350-I354 PolarHBondContact O-N 3.29Å; F351-I354 WeakPolarHBondContact O-CB 3.3Å; F351-I354 PolarHBondContact O-N 2.99Å; I354-T356 PolarHBondContact O-N 2.87Å; I354-A357 PolarHBondContact O-N 3Å; I354-M358 HydrophobicContact CG2-CG 4.07Å; I354-M358 HydrophobicContact CG2-SD 3.72Å; I354-M358 WeakPolarHBondContact O-CB 3.29Å; I354-M358 VanDerWaalsContact O-CG 3.28Å; I354-M358 WeakPolarHBondContact O-CG 3.24Å; I354-M358 PolarHBondContact O-N 3.2Å; I354-L367 HydrophobicContact CG2-CD1 4.21Å |
| 355 | Q | 96.2 | Very high | 95.8 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 1% | 0.014 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.8 | -41 | 176.2 | -75 | -178.1 | -71.7 | 0 | 0 | 112.4 | F351 T352 G359 S363 L367 C396 | F351-Q355 HydrophobicContact CD1-CG 3.98Å; F351-Q355 HydrophobicContact CE1-CG 3.97Å; F351-Q355 WeakPolarHBondContact O-CG 3.3Å; F351-Q355 PolarHBondContact O-N 3.23Å; T352-Q355 PolarHBondContact O-N 3.48Å; Q355-G359 PolarHBondContact O-N 3.45Å; Q355-S363 PolarHBondContact NE2-OG 3.47Å; Q355-L367 HydrophobicContact CB-CD1 4.3Å; Q355-L367 HydrophobicContact CG-CD1 3.76Å; Q355-C396 HydrophobicContact CB-CB 4.12Å |
| 356 | T | 95.9 | Very high | 95.6 | Very high | 90 Ų | 90 | 36.9 Ų | 36.9 | 55% | 0.552 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -67.7 | -47.2 | 179.7 | -55.8 | 0 | 0 | 0 | 0 | 110.7 | T352 E353 I354 M358 G359 | T352-T356 PolarHBondContact O-N 3.3Å; T352-T356 PolarHBondContact O-OG1 3.33Å; E353-T356 PolarHBondContact O-N 3.24Å; I354-T356 PolarHBondContact O-N 2.87Å; T356-M358 PolarHBondContact O-N 2.79Å; T356-G359 PolarHBondContact O-N 3.29Å |
| 357 | A | 95.3 | Very high | 95.5 | Very high | 13 Ų | 13 | 35.6 Ų | 35.6 | 11% | 0.107 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.4 | -36.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A316 Q317 E353 I354 G359 | A316-A357 HydrophobicContact CB-CB 3.78Å; Q317-A357 HydrophobicContact CG-CB 3.87Å; E353-A357 WeakPolarHBondContact O-CB 3.44Å; E353-A357 PolarHBondContact O-N 3.39Å; I354-A357 PolarHBondContact O-N 3Å; A357-G359 VanDerWaalsContact C-N 3.32Å |
| 358 | M | 94.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -81.9 | -8.9 | 179.4 | -64.2 | -168.9 | 90.4 | 0 | 0 | 113.9 | P321 S324 I329 I332 I354 T356 V362 L367 | P321-M358 VanDerWaalsContact CB-O 3.28Å; P321-M358 WeakPolarHBondContact CB-O 3.39Å; S324-M358 WeakPolarHBondContact O-CE 3.28Å; I329-M358 HydrophobicContact CD1-CE 3.98Å; I332-M358 HydrophobicContact CD1-CE 3.86Å; I332-M358 HydrophobicContact CD1-SD 3.32Å; I332-M358 WeakPolarHBondContact CD1-SD 3.49Å; I354-M358 HydrophobicContact CG2-CG 4.07Å; I354-M358 HydrophobicContact CG2-SD 3.72Å; I354-M358 WeakPolarHBondContact O-CB 3.29Å; I354-M358 VanDerWaalsContact O-CG 3.28Å; I354-M358 WeakPolarHBondContact O-CG 3.24Å; I354-M358 PolarHBondContact O-N 3.2Å; T356-M358 PolarHBondContact O-N 2.79Å; M358-V362 HydrophobicContact CB-CB 4.17Å; M358-V362 HydrophobicContact CB-CG1 4.22Å; M358-V362 HydrophobicContact CE-CG1 3.68Å; M358-V362 WeakPolarHBondContact O-CB 3.49Å; M358-V362 WeakPolarHBondContact O-CG2 3.47Å; M358-V362 HydrophobicContact SD-CG1 4.25Å; M358-L367 HydrophobicContact CB-CD1 4.38Å; M358-L367 HydrophobicContact SD-CD1 3.81Å; M358-L367 HydrophobicContact SD-CD2 3.87Å; M358-L367 HydrophobicContact SD-CG 4.22Å |
| 359 | G | 93.1 | Very high | 95.3 | Very high | 20 Ų | 20 | 39.2 Ų | 39.2 | 21% | 0.206 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | 74.4 | 166.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q355 T356 A357 R361 S363 | Q355-G359 PolarHBondContact O-N 3.45Å; T356-G359 PolarHBondContact O-N 3.29Å; A357-G359 VanDerWaalsContact C-N 3.32Å; G359-R361 PolarHBondContact O-N 3.38Å; G359-S363 VanDerWaalsContact O-CB 3.3Å; G359-S363 WeakPolarHBondContact O-CB 3.2Å; G359-S363 PolarHBondContact O-N 3.01Å |
| 360 | L | 92.4 | Very high | 95.3 | Very high | 66 Ų | 66 | 38.1 Ų | 38.1 | 35% | 0.346 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.2 | -40.8 | -167 | -174.5 | 59.5 | 0 | 0 | 0 | 114.1 | S363 R364 C396 | L360-S363 PolarHBondContact O-N 3.47Å; L360-R364 HydrophobicContact CD1-CG 4.33Å; L360-R364 WeakPolarHBondContact O-CG 3.49Å; L360-R364 PolarHBondContact O-N 3.15Å; L360-R364 VanDerWaalsContact O-N 3.09Å; L360-C396 WeakPolarHBondContact CD1-O 3.48Å |
| 361 | R | 93.4 | Very high | 95.4 | Very high | 107 Ų | 107 | 35.7 Ų | 35.7 | 40% | 0.404 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61 | -55.6 | -179 | -177.3 | -175.3 | 61.9 | 72.4 | -0.3 | 110.8 | E325 G359 S363 R364 E365 | E325-R361 IonicContact OE1-NH1 3.29Å; E325-R361 IonicContact OE2-CZ 2.9Å; E325-R361 IonicContact OE2-NH1 2.59Å; E325-R361 PolarHBondContact OE2-NH1 2.94Å; E325-R361 IonicContact OE2-NH2 3.86Å; E325-R361 PolarHBondContact OE2-NH2 3.36Å; G359-R361 PolarHBondContact O-N 3.38Å; R361-S363 VanDerWaalsContact C-N 3.3Å; R361-S363 PolarHBondContact O-N 2.91Å; R361-R364 PolarHBondContact O-N 2.69Å; R361-E365 IonicContact NH1-OE2 3.12Å; R361-E365 PolarHBondContact NH1-OE2 3.03Å; R361-E365 WeakPolarHBondContact O-CB 3.43Å; R361-E365 WeakPolarHBondContact O-CG 3.16Å; R361-E365 PolarHBondContact O-N 3.38Å |
| 362 | V | 94.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.5 | -39.4 | -178.8 | -173 | 0 | 0 | 0 | 0 | 110.8 | E325 I329 M358 R364 E365 R366 L367 | E325-V362 HydrophobicContact CB-CG1 4.08Å; E325-V362 HydrophobicContact CB-CG2 3.9Å; E325-V362 HydrophobicContact CG-CG1 4.1Å; E325-V362 HydrophobicContact CG-CG2 4.34Å; I329-V362 HydrophobicContact CD1-CG1 4.27Å; M358-V362 HydrophobicContact CB-CB 4.17Å; M358-V362 HydrophobicContact CB-CG1 4.22Å; M358-V362 HydrophobicContact CE-CG1 3.68Å; M358-V362 WeakPolarHBondContact O-CB 3.49Å; M358-V362 WeakPolarHBondContact O-CG2 3.47Å; M358-V362 HydrophobicContact SD-CG1 4.25Å; V362-R364 PolarHBondContact O-N 2.95Å; V362-E365 PolarHBondContact O-N 3.31Å; V362-R366 HydrophobicContact CG1-CB 4.09Å; V362-R366 HydrophobicContact CG1-CG 4.19Å; V362-R366 WeakPolarHBondContact O-CA 3.47Å; V362-R366 WeakPolarHBondContact O-CB 3.26Å; V362-R366 PolarHBondContact O-N 3.45Å; V362-L367 PolarHBondContact O-N 3.26Å |
| 363 | S | 93.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -54.3 | -49.9 | 175.2 | -179.6 | 0 | 0 | 0 | 0 | 112.1 | Q355 G359 L360 R361 L367 V368 | Q355-S363 PolarHBondContact NE2-OG 3.47Å; G359-S363 VanDerWaalsContact O-CB 3.3Å; G359-S363 WeakPolarHBondContact O-CB 3.2Å; G359-S363 PolarHBondContact O-N 3.01Å; L360-S363 PolarHBondContact O-N 3.47Å; R361-S363 VanDerWaalsContact C-N 3.3Å; R361-S363 PolarHBondContact O-N 2.91Å; S363-L367 WeakPolarHBondContact O-CB 3.29Å; S363-L367 PolarHBondContact O-N 3.44Å; S363-V368 PolarHBondContact O-N 3.37Å |
| 364 | R | 92.5 | Very high | 95.5 | Very high | 49 Ų | 49 | 38 Ų | 38 | 19% | 0.185 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -71.5 | -43.1 | -178.7 | -70.8 | 173.5 | 175 | 171.4 | 1.4 | 113.2 | L360 R361 V362 V368 L397 I458 | L360-R364 HydrophobicContact CD1-CG 4.33Å; L360-R364 WeakPolarHBondContact O-CG 3.49Å; L360-R364 PolarHBondContact O-N 3.15Å; L360-R364 VanDerWaalsContact O-N 3.09Å; R361-R364 PolarHBondContact O-N 2.69Å; V362-R364 PolarHBondContact O-N 2.95Å; R364-V368 WeakPolarHBondContact O-CG2 3.49Å; R364-L397 HydrophobicContact CG-CD2 3.92Å; R364-L397 VanDerWaalsContact CZ-O 3.22Å; R364-L397 PolarHBondContact NE-O 3.39Å; R364-L397 PolarHBondContact NH2-O 2.89Å; R364-I458 HydrophobicContact CB-CD1 4.17Å; R364-I458 HydrophobicContact CG-CD1 4.28Å |
| 365 | E | 92.5 | Very high | 95.5 | Very high | 119 Ų | 119 | 38.1 Ų | 38.1 | 56% | 0.556 | 19% | 0.188 | S | C | * | . | I | π-helix | trans | -82.8 | -32.7 | -171.8 | -69.4 | 173.9 | 178.9 | 0 | 0 | 113.1 | R361 V362 | R361-E365 IonicContact NH1-OE2 3.12Å; R361-E365 PolarHBondContact NH1-OE2 3.03Å; R361-E365 WeakPolarHBondContact O-CB 3.43Å; R361-E365 WeakPolarHBondContact O-CG 3.16Å; R361-E365 PolarHBondContact O-N 3.38Å; V362-E365 PolarHBondContact O-N 3.31Å |
| 366 | R | 94.7 | Very high | 95.5 | Very high | 101 Ų | 101 | 43.1 Ų | 43.1 | 38% | 0.381 | 21% | 0.211 | S | C | . | . | I | π-helix | trans | -122.6 | -35.1 | -167.4 | -52.7 | -58.6 | -63.3 | -107.2 | -0.3 | 114.3 | E325 I329 V362 P369 | E325-R366 WeakPolarHBondContact OE1-CG 3.44Å; E325-R366 IonicContact OE1-NH1 2.84Å; I329-R366 HydrophobicContact CD1-CB 3.55Å; I329-R366 HydrophobicContact CD1-CG 4.43Å; I329-R366 HydrophobicContact CG1-CB 4.01Å; V362-R366 HydrophobicContact CG1-CB 4.09Å; V362-R366 HydrophobicContact CG1-CG 4.19Å; V362-R366 WeakPolarHBondContact O-CA 3.47Å; V362-R366 WeakPolarHBondContact O-CB 3.26Å; V362-R366 PolarHBondContact O-N 3.45Å; R366-P369 WeakPolarHBondContact O-CD 3.48Å |
| 367 | L | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | I | π-helix | trans | -86.6 | -24.7 | -174.4 | -61.5 | -177.2 | 0 | 0 | 0 | 114.1 | I329 I332 F351 I354 Q355 M358 V362 S363 F370 F371 | I329-L367 HydrophobicContact CD1-CD2 3.65Å; I332-L367 HydrophobicContact CG2-CD2 4.13Å; F351-L367 HydrophobicContact CE1-CB 4Å; F351-L367 HydrophobicContact CZ-CB 3.99Å; F351-L367 HydrophobicContact CZ-CD2 4.45Å; F351-L367 WeakPolarHBondContact CZ-O 3.24Å; I354-L367 HydrophobicContact CG2-CD1 4.21Å; Q355-L367 HydrophobicContact CB-CD1 4.3Å; Q355-L367 HydrophobicContact CG-CD1 3.76Å; M358-L367 HydrophobicContact CB-CD1 4.38Å; M358-L367 HydrophobicContact SD-CD1 3.81Å; M358-L367 HydrophobicContact SD-CD2 3.87Å; M358-L367 HydrophobicContact SD-CG 4.22Å; V362-L367 PolarHBondContact O-N 3.26Å; S363-L367 WeakPolarHBondContact O-CB 3.29Å; S363-L367 PolarHBondContact O-N 3.44Å; L367-F370 HydrophobicContact CD2-CD2 3.86Å; L367-F370 HydrophobicContact CD2-CE2 4.19Å; L367-F370 WeakPolarHBondContact O-CB 3.44Å; L367-F370 PolarHBondContact O-N 3.28Å; L367-F370 VanDerWaalsContact O-N 3.09Å; L367-F371 PolarHBondContact O-N 3.27Å; L367-F371 VanDerWaalsContact O-N 3.08Å |
| 368 | V | 96.3 | Very high | 95.7 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -52.5 | -50.9 | 179.4 | 173.1 | 0 | 0 | 0 | 0 | 112.5 | S363 R364 F370 F371 M372 F393 L397 I458 Q462 | S363-V368 PolarHBondContact O-N 3.37Å; R364-V368 WeakPolarHBondContact O-CG2 3.49Å; V368-F370 PolarHBondContact O-N 3.19Å; V368-F371 PolarHBondContact O-N 3.23Å; V368-M372 HydrophobicContact CG1-CE 4.1Å; V368-M372 HydrophobicContact CG1-CG 4.18Å; V368-M372 VanDerWaalsContact O-CG 3.28Å; V368-M372 WeakPolarHBondContact O-CG 3.43Å; V368-M372 PolarHBondContact O-N 2.94Å; V368-F393 HydrophobicContact CG2-CZ 4.18Å; V368-L397 HydrophobicContact CG2-CD1 4.42Å; V368-L397 HydrophobicContact CG2-CD2 3.73Å; V368-I458 HydrophobicContact CG1-CG2 3.86Å; V368-I458 HydrophobicContact CG2-CD1 4.33Å; V368-I458 HydrophobicContact CG2-CG2 3.87Å; V368-Q462 VanDerWaalsContact CG1-OE1 3.25Å |
| 369 | P | 96.5 | Very high | 95.8 | Very high | 73 Ų | 73 | 49.5 Ų | 49.5 | 47% | 0.474 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.1 | -32.7 | 179.6 | -24.1 | 35.5 | 0 | 0 | 0 | 113.6 | R366 K373 | R366-P369 WeakPolarHBondContact O-CD 3.48Å; P369-K373 WeakPolarHBondContact O-CB 3.37Å; P369-K373 PolarHBondContact O-N 3.47Å |
| 370 | F | 98.2 | Very high | 96 | Very high | 19 Ų | 19 | 49 Ų | 49 | 8% | 0.083 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71.8 | -43.6 | -179.5 | -55.3 | -17.1 | 0 | 0 | 0 | 111 | I329 I332 Q333 T336 F351 L367 V368 K373 L374 | I329-F370 HydrophobicContact CD1-CE2 3.69Å; I329-F370 HydrophobicContact CD1-CZ 4.39Å; I329-F370 HydrophobicContact CG1-CE2 3.94Å; I329-F370 HydrophobicContact CG1-CZ 4.21Å; I332-F370 HydrophobicContact CG2-CD2 3.98Å; I332-F370 HydrophobicContact CG2-CE2 4.4Å; Q333-F370 HydrophobicContact CB-CE1 3.88Å; Q333-F370 HydrophobicContact CB-CE2 3.92Å; Q333-F370 HydrophobicContact CB-CZ 3.54Å; Q333-F370 HydrophobicContact CG-CD1 4.24Å; Q333-F370 HydrophobicContact CG-CE1 3.64Å; Q333-F370 HydrophobicContact CG-CZ 3.83Å; T336-F370 HydrophobicContact CG2-CB 3.86Å; F351-F370 HydrophobicContact CE2-CB 3.97Å; F351-F370 HydrophobicContact CZ-CB 3.89Å; L367-F370 HydrophobicContact CD2-CD2 3.86Å; L367-F370 HydrophobicContact CD2-CE2 4.19Å; L367-F370 WeakPolarHBondContact O-CB 3.44Å; L367-F370 PolarHBondContact O-N 3.28Å; L367-F370 VanDerWaalsContact O-N 3.09Å; V368-F370 PolarHBondContact O-N 3.19Å; F370-K373 WeakPolarHBondContact O-CB 3.39Å; F370-K373 PolarHBondContact O-N 3.13Å; F370-L374 PolarHBondContact O-N 3.33Å; F370-L374 VanDerWaalsContact O-N 3.1Å |
| 371 | F | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.9 | -41.5 | 174.8 | -167.8 | -108 | 0 | 0 | 0 | 112.1 | F351 L367 V368 K373 L374 L375 A386 K389 V390 F393 L463 | F351-F371 HydrophobicContact CB-CD2 4.25Å; F351-F371 HydrophobicContact CB-CE2 4.47Å; F351-F371 HydrophobicContact CD1-CB 4.12Å; F351-F371 AromaticContact CD1-CD2 3.53Å; F351-F371 HydrophobicContact CD1-CD2 3.53Å; F351-F371 HydrophobicContact CD1-CE2 4.34Å; F351-F371 HydrophobicContact CD1-CG 4.18Å; F351-F371 HydrophobicContact CD2-CD2 4.34Å; F351-F371 HydrophobicContact CE1-CB 3.62Å; F351-F371 AromaticContact CE1-CD2 3.96Å; F351-F371 HydrophobicContact CE1-CD2 3.96Å; F351-F371 HydrophobicContact CE1-CG 4.17Å; F351-F371 HydrophobicContact CE2-CB 4.47Å; F351-F371 AromaticContact CG-CD2 3.76Å; F351-F371 HydrophobicContact CG-CD2 3.76Å; F351-F371 HydrophobicContact CG-CE2 4.44Å; F351-F371 HydrophobicContact CZ-CB 3.81Å; L367-F371 PolarHBondContact O-N 3.27Å; L367-F371 VanDerWaalsContact O-N 3.08Å; V368-F371 PolarHBondContact O-N 3.23Å; F371-K373 PolarHBondContact O-N 2.78Å; F371-L374 PolarHBondContact O-N 3.08Å; F371-L374 VanDerWaalsContact O-N 3.11Å; F371-L375 HydrophobicContact CD1-CD1 3.81Å; F371-L375 HydrophobicContact CD1-CG 4.18Å; F371-L375 HydrophobicContact CE1-CD1 3.67Å; F371-L375 HydrophobicContact CE1-CD2 4.19Å; F371-L375 HydrophobicContact CE1-CG 3.96Å; F371-L375 HydrophobicContact CZ-CD2 4.39Å; F371-L375 HydrophobicContact CZ-CG 4.48Å; F371-L375 PolarHBondContact O-N 3.05Å; F371-A386 HydrophobicContact CE2-CB 4.35Å; F371-A386 VanDerWaalsContact CZ-O 3.31Å; F371-A386 WeakPolarHBondContact CZ-O 3.32Å; F371-K389 HydrophobicContact CE2-CB 4.16Å; F371-K389 HydrophobicContact CZ-CB 4.17Å; F371-V390 HydrophobicContact CE1-CG1 4.33Å; F371-V390 HydrophobicContact CZ-CG1 4.44Å; F371-F393 HydrophobicContact CB-CD2 3.9Å; F371-F393 HydrophobicContact CB-CE2 3.3Å; F371-F393 HydrophobicContact CB-CZ 3.72Å; F371-F393 HydrophobicContact CD1-CB 4.35Å; F371-F393 AromaticContact CD1-CD1 3.61Å; F371-F393 HydrophobicContact CD1-CD1 3.61Å; F371-F393 AromaticContact CD1-CD2 3.42Å; F371-F393 HydrophobicContact CD1-CD2 3.42Å; F371-F393 VanDerWaalsContact CD1-CD2 3.42Å; F371-F393 AromaticContact CD1-CE1 3.62Å; F371-F393 HydrophobicContact CD1-CE1 3.62Å; F371-F393 AromaticContact CD1-CE2 3.48Å; F371-F393 HydrophobicContact CD1-CE2 3.48Å; F371-F393 VanDerWaalsContact CD1-CE2 3.48Å; F371-F393 AromaticContact CD1-CG 3.51Å; F371-F393 HydrophobicContact CD1-CG 3.51Å; F371-F393 AromaticContact CD1-CZ 3.58Å; F371-F393 HydrophobicContact CD1-CZ 3.58Å; F371-F393 AromaticContact CD2-CD2 3.7Å; F371-F393 HydrophobicContact CD2-CD2 3.7Å; F371-F393 HydrophobicContact CD2-CE2 4.04Å; F371-F393 HydrophobicContact CD2-CG 4.35Å; F371-F393 HydrophobicContact CE1-CB 3.79Å; F371-F393 AromaticContact CE1-CD1 3.63Å; F371-F393 HydrophobicContact CE1-CD1 3.63Å; F371-F393 AromaticContact CE1-CD2 3.75Å; F371-F393 HydrophobicContact CE1-CD2 3.75Å; F371-F393 HydrophobicContact CE1-CE1 4.12Å; F371-F393 HydrophobicContact CE1-CE2 4.27Å; F371-F393 AromaticContact CE1-CG 3.43Å; F371-F393 HydrophobicContact CE1-CG 3.43Å; F371-F393 VanDerWaalsContact CE1-CG 3.43Å; F371-F393 HydrophobicContact CE1-CZ 4.43Å; F371-F393 HydrophobicContact CE2-CB 4.33Å; F371-F393 HydrophobicContact CE2-CD2 4.02Å; F371-F393 HydrophobicContact CE2-CG 4.29Å; F371-F393 HydrophobicContact CG-CD1 4.41Å; F371-F393 AromaticContact CG-CD2 3.38Å; F371-F393 HydrophobicContact CG-CD2 3.38Å; F371-F393 HydrophobicContact CG-CE1 4.33Å; F371-F393 AromaticContact CG-CE2 3.33Å; F371-F393 HydrophobicContact CG-CE2 3.33Å; F371-F393 AromaticContact CG-CG 3.98Å; F371-F393 HydrophobicContact CG-CG 3.98Å; F371-F393 AromaticContact CG-CZ 3.84Å; F371-F393 HydrophobicContact CG-CZ 3.84Å; F371-F393 HydrophobicContact CZ-CB 3.78Å; F371-F393 HydrophobicContact CZ-CD1 4.46Å; F371-F393 HydrophobicContact CZ-CD2 4.04Å; F371-F393 AromaticContact CZ-CG 3.84Å; F371-F393 HydrophobicContact CZ-CG 3.84Å; F371-L463 HydrophobicContact CE1-CD1 4.43Å |
| 372 | M | 97.6 | Very high | 96.5 | Very high | 20 Ų | 20 | 44.7 Ų | 44.7 | 10% | 0.099 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.1 | -36.9 | 174.6 | -65.8 | -57.2 | 151 | 0 | 0 | 111.2 | V368 L375 H376 F393 Q462 L463 A466 | V368-M372 HydrophobicContact CG1-CE 4.1Å; V368-M372 HydrophobicContact CG1-CG 4.18Å; V368-M372 VanDerWaalsContact O-CG 3.28Å; V368-M372 WeakPolarHBondContact O-CG 3.43Å; V368-M372 PolarHBondContact O-N 2.94Å; M372-L375 PolarHBondContact O-N 2.86Å; M372-L375 HydrophobicContact SD-CD1 4.02Å; M372-H376 PolarHBondContact O-N 3.44Å; M372-H376 PolarHBondContact O-ND1 2.83Å; M372-F393 HydrophobicContact CE-CE1 4.02Å; M372-F393 HydrophobicContact CE-CZ 4.39Å; M372-Q462 HydrophobicContact CE-CB 4.05Å; M372-Q462 HydrophobicContact SD-CB 4.28Å; M372-L463 HydrophobicContact CE-CB 3.96Å; M372-L463 HydrophobicContact CE-CD1 3.97Å; M372-A466 HydrophobicContact SD-CB 4.19Å |
| 373 | K | 97.5 | Very high | 96.6 | Very high | 114 Ų | 114 | 46 Ų | 46 | 50% | 0.496 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.8 | -41.7 | 174.5 | -171.6 | 169.3 | -177.3 | 170 | 0 | 112.3 | T337 P369 F370 F371 H376 D377 | T337-K373 HydrophobicContact CG2-CD 3.81Å; P369-K373 WeakPolarHBondContact O-CB 3.37Å; P369-K373 PolarHBondContact O-N 3.47Å; F370-K373 WeakPolarHBondContact O-CB 3.39Å; F370-K373 PolarHBondContact O-N 3.13Å; F371-K373 PolarHBondContact O-N 2.78Å; K373-H376 CarbonylContact O-C 3.54Å; K373-H376 VanDerWaalsContact O-C 3.28Å; K373-H376 PolarHBondContact O-N 3.16Å; K373-H376 VanDerWaalsContact O-N 3.15Å; K373-D377 PolarHBondContact O-N 3.03Å |
| 374 | L | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.5 | -37.1 | 176.3 | -66.1 | 168.3 | 0 | 0 | 0 | 112.5 | T336 R344 V347 A348 F351 F370 F371 H376 D377 V382 A386 | T336-L374 HydrophobicContact CG2-CD1 4.08Å; T336-L374 HydrophobicContact CG2-CG 4.38Å; R344-L374 HydrophobicContact CB-CD2 4.36Å; V347-L374 HydrophobicContact CG1-CD1 4.46Å; V347-L374 HydrophobicContact CG1-CD2 4.32Å; A348-L374 HydrophobicContact CB-CD1 3.96Å; A348-L374 HydrophobicContact CB-CD2 4.36Å; F351-L374 HydrophobicContact CD2-CD1 3.61Å; F351-L374 HydrophobicContact CE2-CD1 3.93Å; F351-L374 HydrophobicContact CG-CD1 4.47Å; F370-L374 PolarHBondContact O-N 3.33Å; F370-L374 VanDerWaalsContact O-N 3.1Å; F371-L374 PolarHBondContact O-N 3.08Å; F371-L374 VanDerWaalsContact O-N 3.11Å; L374-H376 PolarHBondContact O-N 2.98Å; L374-D377 WeakPolarHBondContact O-CB 3.48Å; L374-D377 PolarHBondContact O-N 3.16Å; L374-V382 HydrophobicContact CD2-CG1 3.69Å; L374-A386 HydrophobicContact CB-CB 3.88Å |
| 375 | L | 97.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.4 | -27 | 173 | -70.4 | 172.4 | 0 | 0 | 0 | 112.7 | F371 M372 R383 A386 V390 L463 A466 L470 | F371-L375 HydrophobicContact CD1-CD1 3.81Å; F371-L375 HydrophobicContact CD1-CG 4.18Å; F371-L375 HydrophobicContact CE1-CD1 3.67Å; F371-L375 HydrophobicContact CE1-CD2 4.19Å; F371-L375 HydrophobicContact CE1-CG 3.96Å; F371-L375 HydrophobicContact CZ-CD2 4.39Å; F371-L375 HydrophobicContact CZ-CG 4.48Å; F371-L375 PolarHBondContact O-N 3.05Å; M372-L375 PolarHBondContact O-N 2.86Å; M372-L375 HydrophobicContact SD-CD1 4.02Å; L375-R383 VanDerWaalsContact O-CD 3.26Å; L375-R383 WeakPolarHBondContact O-CD 3.33Å; L375-R383 WeakPolarHBondContact O-CG 3.29Å; L375-A386 HydrophobicContact CD2-CB 3.71Å; L375-A386 HydrophobicContact CG-CB 4.14Å; L375-V390 HydrophobicContact CD2-CG1 3.89Å; L375-L463 HydrophobicContact CD1-CD1 3.98Å; L375-A466 HydrophobicContact CD1-CB 4.13Å; L375-L470 HydrophobicContact CB-CD1 4.32Å; L375-L470 HydrophobicContact CD2-CD1 3.7Å; L375-L470 WeakPolarHBondContact O-CD2 3.34Å |
| 376 | H | 96.3 | Very high | 97.4 | Very high | 108 Ų | 108 | 42.1 Ų | 42.1 | 50% | 0.5 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 19.8 | 177.7 | -60.2 | 89.9 | 0 | 0 | 0 | 112.7 | M372 K373 L374 | M372-H376 PolarHBondContact O-N 3.44Å; M372-H376 PolarHBondContact O-ND1 2.83Å; K373-H376 CarbonylContact O-C 3.54Å; K373-H376 VanDerWaalsContact O-C 3.28Å; K373-H376 PolarHBondContact O-N 3.16Å; K373-H376 VanDerWaalsContact O-N 3.15Å; L374-H376 PolarHBondContact O-N 2.98Å |
| 377 | D | 98 | Very high | 97.5 | Very high | 14 Ų | 14 | 37.3 Ų | 37.3 | 8% | 0.075 | 18% | 0.179 | C | C | . | . | trans | -59.9 | 153.3 | -179.7 | -160 | -80 | 0 | 0 | 0 | 110.8 | R344 K373 L374 E379 V382 R383 | R344-D377 WeakPolarHBondContact CD-OD2 3.04Å; R344-D377 IonicContact CZ-OD1 3.78Å; R344-D377 IonicContact CZ-OD2 2.69Å; R344-D377 IonicContact NE-OD1 3.24Å; R344-D377 PolarHBondContact NE-OD1 2.72Å; R344-D377 IonicContact NE-OD2 3.77Å; R344-D377 PolarHBondContact NE-OD2 3Å; R344-D377 IonicContact NH2-OD1 2.83Å; R344-D377 PolarHBondContact NH2-OD1 2.92Å; R344-D377 IonicContact NH2-OD2 3.83Å; K373-D377 PolarHBondContact O-N 3.03Å; L374-D377 WeakPolarHBondContact O-CB 3.48Å; L374-D377 PolarHBondContact O-N 3.16Å; D377-E379 VanDerWaalsContact C-N 3.31Å; D377-E379 PolarHBondContact OD1-N 2.91Å; D377-V382 HydrophobicContact CB-CB 3.8Å; D377-V382 HydrophobicContact CB-CG1 3.63Å; D377-R383 HydrophobicContact CB-CG 4.07Å; D377-R383 WeakPolarHBondContact O-CD 3.49Å; D377-R383 VanDerWaalsContact O-CG 3.29Å; D377-R383 WeakPolarHBondContact O-CG 3.4Å; D377-R383 PolarHBondContact O-NH1 3.05Å | ||
| 378 | E | 96.2 | Very high | 97.5 | Very high | 146 Ų | 146 | 38.8 Ų | 38.8 | 68% | 0.682 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -66.5 | -35.2 | 176.4 | 61.1 | -171.2 | 178.4 | 0 | 0 | 111.7 | R344 R383 | R344-E378 IonicContact NH2-OE1 2.93Å; R344-E378 PolarHBondContact NH2-OE1 3.26Å; E378-R383 PolarHBondContact O-NH1 2.73Å |
| 379 | E | 97.5 | Very high | 97.5 | Very high | 77 Ų | 77 | 40.9 Ų | 40.9 | 36% | 0.36 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -88.9 | 128.6 | -178.8 | -61.1 | -49.7 | -122.3 | 0 | 0 | 112.1 | W341 D377 E381 V382 R383 | W341-E379 HydrophobicContact CB-CB 4.13Å; W341-E379 HydrophobicContact CB-CG 3.72Å; W341-E379 HydrophobicContact CG-CG 4.23Å; D377-E379 VanDerWaalsContact C-N 3.31Å; D377-E379 PolarHBondContact OD1-N 2.91Å; E379-E381 VanDerWaalsContact C-N 3.27Å; E379-E381 PolarHBondContact O-N 3.22Å; E379-V382 HydrophobicContact CB-CG2 4.1Å; E379-V382 PolarHBondContact O-N 2.96Å; E379-V382 VanDerWaalsContact O-N 3.15Å; E379-R383 VanDerWaalsContact C-NH1 3.33Å; E379-R383 PolarHBondContact O-N 3.19Å; E379-R383 VanDerWaalsContact O-N 3.1Å; E379-R383 PolarHBondContact O-NH1 3.14Å |
| 380 | A | 96.9 | Very high | 97.5 | Very high | 10 Ų | 10 | 37.4 Ų | 37.4 | 8% | 0.083 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.7 | -32.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V382 R383 A384 N475 V478 | A380-V382 VanDerWaalsContact C-N 3.34Å; A380-V382 PolarHBondContact O-N 3.33Å; A380-R383 PolarHBondContact O-N 3.35Å; A380-A384 WeakPolarHBondContact O-CB 3.16Å; A380-A384 PolarHBondContact O-N 3.37Å; A380-N475 HydrophobicContact CB-CB 3.76Å; A380-N475 WeakPolarHBondContact CB-ND2 3.14Å; A380-V478 HydrophobicContact CB-CG2 3.99Å; A380-V478 WeakPolarHBondContact O-CG2 3.46Å |
| 381 | E | 97.6 | Very high | 97.4 | Very high | 83 Ų | 83 | 38 Ų | 38 | 39% | 0.388 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59.3 | -46 | 174.4 | -71.4 | 71.1 | -164.4 | 0 | 0 | 110.5 | W341 E379 A384 F385 | W341-E381 HydrophobicContact CE3-CB 4.08Å; W341-E381 HydrophobicContact CH2-CG 4.47Å; W341-E381 HydrophobicContact CZ3-CB 3.82Å; W341-E381 HydrophobicContact CZ3-CG 4.04Å; E379-E381 VanDerWaalsContact C-N 3.27Å; E379-E381 PolarHBondContact O-N 3.22Å; E381-A384 WeakPolarHBondContact O-CB 3.43Å; E381-A384 PolarHBondContact O-N 3.08Å; E381-F385 VanDerWaalsContact O-CD2 3.29Å; E381-F385 WeakPolarHBondContact O-CD2 3.22Å; E381-F385 PolarHBondContact O-N 3.09Å |
| 382 | V | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.4 | -47.1 | 177.7 | -178.1 | 0 | 0 | 0 | 0 | 110.4 | W341 R344 C345 L374 D377 E379 A380 A384 F385 A386 | W341-V382 HydrophobicContact CB-CG2 4.07Å; W341-V382 WeakPolarHBondContact O-CG2 3.28Å; R344-V382 HydrophobicContact CB-CG1 3.98Å; R344-V382 HydrophobicContact CB-CG2 3.85Å; C345-V382 VanDerWaalsContact SG-CG2 3.58Å; L374-V382 HydrophobicContact CD2-CG1 3.69Å; D377-V382 HydrophobicContact CB-CB 3.8Å; D377-V382 HydrophobicContact CB-CG1 3.63Å; E379-V382 HydrophobicContact CB-CG2 4.1Å; E379-V382 PolarHBondContact O-N 2.96Å; E379-V382 VanDerWaalsContact O-N 3.15Å; A380-V382 VanDerWaalsContact C-N 3.34Å; A380-V382 PolarHBondContact O-N 3.33Å; V382-A384 PolarHBondContact O-N 3.2Å; V382-F385 PolarHBondContact O-N 3.4Å; V382-A386 PolarHBondContact O-N 2.76Å |
| 383 | R | 97.9 | Very high | 97.2 | Very high | 28 Ų | 28 | 37.4 Ų | 37.4 | 11% | 0.106 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.4 | -38.2 | 175.5 | -66.4 | -160 | -62.9 | -68.8 | 5.3 | 111.8 | L375 D377 E378 E379 A380 A386 A387 L470 E473 V478 | L375-R383 VanDerWaalsContact O-CD 3.26Å; L375-R383 WeakPolarHBondContact O-CD 3.33Å; L375-R383 WeakPolarHBondContact O-CG 3.29Å; D377-R383 HydrophobicContact CB-CG 4.07Å; D377-R383 WeakPolarHBondContact O-CD 3.49Å; D377-R383 VanDerWaalsContact O-CG 3.29Å; D377-R383 WeakPolarHBondContact O-CG 3.4Å; D377-R383 PolarHBondContact O-NH1 3.05Å; E378-R383 PolarHBondContact O-NH1 2.73Å; E379-R383 VanDerWaalsContact C-NH1 3.33Å; E379-R383 PolarHBondContact O-N 3.19Å; E379-R383 VanDerWaalsContact O-N 3.1Å; E379-R383 PolarHBondContact O-NH1 3.14Å; A380-R383 PolarHBondContact O-N 3.35Å; R383-A386 PolarHBondContact O-N 3.15Å; R383-A387 WeakPolarHBondContact O-CB 3.16Å; R383-A387 PolarHBondContact O-N 2.97Å; R383-L470 HydrophobicContact CB-CD2 4.49Å; R383-E473 IonicContact CZ-OE2 3.29Å; R383-E473 VanDerWaalsContact CZ-OE2 3.26Å; R383-E473 IonicContact NE-OE2 3.41Å; R383-E473 PolarHBondContact NE-OE2 2.77Å; R383-E473 VanDerWaalsContact NH2-CD 3.25Å; R383-E473 IonicContact NH2-OE1 3.67Å; R383-E473 IonicContact NH2-OE2 2.8Å; R383-E473 PolarHBondContact NH2-OE2 3.06Å; R383-V478 HydrophobicContact CB-CG1 4.23Å; R383-V478 HydrophobicContact CB-CG2 3.91Å |
| 384 | A | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69 | -43.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A380 E381 V382 A386 A387 G388 H477 V478 S481 | A380-A384 WeakPolarHBondContact O-CB 3.16Å; A380-A384 PolarHBondContact O-N 3.37Å; E381-A384 WeakPolarHBondContact O-CB 3.43Å; E381-A384 PolarHBondContact O-N 3.08Å; V382-A384 PolarHBondContact O-N 3.2Å; A384-A386 VanDerWaalsContact C-N 3.34Å; A384-A386 PolarHBondContact O-N 3.11Å; A384-A387 PolarHBondContact O-N 3.03Å; A384-G388 PolarHBondContact O-N 3.29Å; A384-H477 WeakPolarHBondContact CB-ND1 3.47Å; A384-V478 HydrophobicContact CB-CG2 4.06Å; A384-S481 VanDerWaalsContact O-CB 3.24Å; A384-S481 WeakPolarHBondContact O-CB 3.46Å |
| 385 | F | 97.9 | Very high | 96.8 | Very high | 87 Ų | 87 | 33.4 Ų | 33.4 | 38% | 0.382 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -58.6 | -46.4 | 172.3 | -86.1 | -82.4 | 0 | 0 | 0 | 111.2 | C345 A348 D349 E381 V382 G388 K389 | C345-F385 HydrophobicContact CB-CD2 3.79Å; C345-F385 HydrophobicContact CB-CE2 3.98Å; C345-F385 HydrophobicContact CB-CG 4.38Å; A348-F385 HydrophobicContact CB-CB 3.84Å; D349-F385 HydrophobicContact CB-CD1 3.85Å; D349-F385 HydrophobicContact CB-CE1 4.18Å; E381-F385 VanDerWaalsContact O-CD2 3.29Å; E381-F385 WeakPolarHBondContact O-CD2 3.22Å; E381-F385 PolarHBondContact O-N 3.09Å; V382-F385 PolarHBondContact O-N 3.4Å; F385-G388 PolarHBondContact O-N 3.29Å; F385-K389 WeakPolarHBondContact O-CG 3.29Å; F385-K389 PolarHBondContact O-N 2.85Å |
| 386 | A | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.6 | -44.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F371 L374 L375 V382 R383 A384 G388 K389 V390 | F371-A386 HydrophobicContact CE2-CB 4.35Å; F371-A386 VanDerWaalsContact CZ-O 3.31Å; F371-A386 WeakPolarHBondContact CZ-O 3.32Å; L374-A386 HydrophobicContact CB-CB 3.88Å; L375-A386 HydrophobicContact CD2-CB 3.71Å; L375-A386 HydrophobicContact CG-CB 4.14Å; V382-A386 PolarHBondContact O-N 2.76Å; R383-A386 PolarHBondContact O-N 3.15Å; A384-A386 VanDerWaalsContact C-N 3.34Å; A384-A386 PolarHBondContact O-N 3.11Å; A386-G388 VanDerWaalsContact C-N 3.3Å; A386-G388 PolarHBondContact O-N 3.1Å; A386-K389 PolarHBondContact O-N 3.2Å; A386-V390 PolarHBondContact O-N 3.42Å |
| 387 | A | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60 | -39.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R383 A384 K389 V390 L470 L482 | R383-A387 WeakPolarHBondContact O-CB 3.16Å; R383-A387 PolarHBondContact O-N 2.97Å; A384-A387 PolarHBondContact O-N 3.03Å; A387-K389 PolarHBondContact O-N 3.45Å; A387-V390 WeakPolarHBondContact O-CG1 3.46Å; A387-V390 VanDerWaalsContact O-CG2 3.26Å; A387-V390 WeakPolarHBondContact O-CG2 3.4Å; A387-V390 PolarHBondContact O-N 2.88Å; A387-L470 HydrophobicContact CB-CD1 4.3Å; A387-L482 HydrophobicContact CB-CB 4.16Å; A387-L482 HydrophobicContact CB-CD1 4.49Å |
| 388 | G | 96.5 | Very high | 96.1 | Very high | 32 Ų | 32 | 29.7 Ų | 29.7 | 33% | 0.33 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -64.7 | -21.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | A384 F385 A386 | A384-G388 PolarHBondContact O-N 3.29Å; F385-G388 PolarHBondContact O-N 3.29Å; A386-G388 VanDerWaalsContact C-N 3.3Å; A386-G388 PolarHBondContact O-N 3.1Å |
| 389 | K | 97 | Very high | 95.8 | Very high | 47 Ų | 47 | 25 Ų | 25 | 20% | 0.204 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -1.5 | -178.8 | -60.1 | -72.4 | 172.4 | 156.8 | 0 | 113.8 | D349 T352 F371 F385 A386 A387 K391 A392 F393 | D349-K389 VanDerWaalsContact O-CE 3.22Å; D349-K389 WeakPolarHBondContact O-CE 3.48Å; D349-K389 PolarHBondContact O-NZ 3Å; D349-K389 WeakPolarHBondContact OD1-CE 3.12Å; D349-K389 IonicContact OD1-NZ 2.71Å; D349-K389 PolarHBondContact OD1-NZ 3.25Å; T352-K389 HydrophobicContact CG2-CB 4.12Å; T352-K389 HydrophobicContact CG2-CD 4.45Å; F371-K389 HydrophobicContact CE2-CB 4.16Å; F371-K389 HydrophobicContact CZ-CB 4.17Å; F385-K389 WeakPolarHBondContact O-CG 3.29Å; F385-K389 PolarHBondContact O-N 2.85Å; A386-K389 PolarHBondContact O-N 3.2Å; A387-K389 PolarHBondContact O-N 3.45Å; K389-K391 VanDerWaalsContact C-N 3.29Å; K389-K391 PolarHBondContact O-N 3.44Å; K389-A392 PolarHBondContact O-N 2.89Å; K389-A392 VanDerWaalsContact O-N 3.17Å; K389-F393 VanDerWaalsContact O-CB 3.29Å; K389-F393 WeakPolarHBondContact O-CB 3.38Å; K389-F393 PolarHBondContact O-N 3.41Å |
| 390 | V | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.4 | -37.3 | -173.5 | -64 | 0 | 0 | 0 | 0 | 113.7 | F371 L375 A386 A387 A394 L463 I467 L482 A485 | F371-V390 HydrophobicContact CE1-CG1 4.33Å; F371-V390 HydrophobicContact CZ-CG1 4.44Å; L375-V390 HydrophobicContact CD2-CG1 3.89Å; A386-V390 PolarHBondContact O-N 3.42Å; A387-V390 WeakPolarHBondContact O-CG1 3.46Å; A387-V390 VanDerWaalsContact O-CG2 3.26Å; A387-V390 WeakPolarHBondContact O-CG2 3.4Å; A387-V390 PolarHBondContact O-N 2.88Å; V390-A394 WeakPolarHBondContact O-CB 3.04Å; V390-A394 PolarHBondContact O-N 3.05Å; V390-L463 HydrophobicContact CG1-CD1 4.38Å; V390-I467 HydrophobicContact CG1-CG1 4.46Å; V390-L482 HydrophobicContact CG2-CD1 4.16Å; V390-A485 HydrophobicContact CG2-CB 3.77Å |
| 391 | K | 94.8 | Very high | 94.7 | Very high | 31 Ų | 31 | 29.7 Ų | 29.7 | 14% | 0.135 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.8 | -55.6 | 175.7 | 176 | -164.5 | 168.5 | -153.9 | 0 | 111.3 | K389 F393 A394 K395 D405 A485 | K389-K391 VanDerWaalsContact C-N 3.29Å; K389-K391 PolarHBondContact O-N 3.44Å; K391-F393 VanDerWaalsContact C-N 3.33Å; K391-F393 PolarHBondContact O-N 3.48Å; K391-A394 PolarHBondContact O-N 3.39Å; K391-K395 PolarHBondContact O-N 2.69Å; K391-D405 IonicContact NZ-OD1 2.88Å; K391-D405 PolarHBondContact NZ-OD1 3.3Å; K391-D405 IonicContact NZ-OD2 2.62Å; K391-D405 PolarHBondContact NZ-OD2 3.42Å; K391-D405 VanDerWaalsContact NZ-OD2 3.12Å; K391-A485 HydrophobicContact CB-CB 4.41Å |
| 392 | A | 95.7 | Very high | 93.6 | Very high | 8 Ų | 8 | 28.2 Ų | 28.2 | 7% | 0.066 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.3 | -39.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | T352 K389 A394 K395 C396 V402 | T352-A392 HydrophobicContact CG2-CB 3.71Å; K389-A392 PolarHBondContact O-N 2.89Å; K389-A392 VanDerWaalsContact O-N 3.17Å; A392-A394 PolarHBondContact O-N 3.46Å; A392-K395 PolarHBondContact O-N 2.94Å; A392-C396 PolarHBondContact O-N 3.21Å; A392-C396 PolarHBondContact O-SG 3.33Å; A392-C396 VanDerWaalsContact O-SG 3.42Å; A392-V402 HydrophobicContact CB-CG1 3.83Å |
| 393 | F | 96.3 | Very high | 92 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58 | -46.7 | 173.6 | 178.8 | -93.6 | 0 | 0 | 0 | 111.9 | F351 T352 V368 F371 M372 K389 K391 C396 L397 L463 | F351-F393 HydrophobicContact CD1-CD2 4.17Å; F351-F393 HydrophobicContact CD1-CE2 4.32Å; F351-F393 HydrophobicContact CE1-CD2 4.28Å; F351-F393 AromaticContact CE1-CE2 3.97Å; F351-F393 HydrophobicContact CE1-CE2 3.97Å; T352-F393 HydrophobicContact CG2-CB 4.3Å; V368-F393 HydrophobicContact CG2-CZ 4.18Å; F371-F393 HydrophobicContact CB-CD2 3.9Å; F371-F393 HydrophobicContact CB-CE2 3.3Å; F371-F393 HydrophobicContact CB-CZ 3.72Å; F371-F393 HydrophobicContact CD1-CB 4.35Å; F371-F393 AromaticContact CD1-CD1 3.61Å; F371-F393 HydrophobicContact CD1-CD1 3.61Å; F371-F393 AromaticContact CD1-CD2 3.42Å; F371-F393 HydrophobicContact CD1-CD2 3.42Å; F371-F393 VanDerWaalsContact CD1-CD2 3.42Å; F371-F393 AromaticContact CD1-CE1 3.62Å; F371-F393 HydrophobicContact CD1-CE1 3.62Å; F371-F393 AromaticContact CD1-CE2 3.48Å; F371-F393 HydrophobicContact CD1-CE2 3.48Å; F371-F393 VanDerWaalsContact CD1-CE2 3.48Å; F371-F393 AromaticContact CD1-CG 3.51Å; F371-F393 HydrophobicContact CD1-CG 3.51Å; F371-F393 AromaticContact CD1-CZ 3.58Å; F371-F393 HydrophobicContact CD1-CZ 3.58Å; F371-F393 AromaticContact CD2-CD2 3.7Å; F371-F393 HydrophobicContact CD2-CD2 3.7Å; F371-F393 HydrophobicContact CD2-CE2 4.04Å; F371-F393 HydrophobicContact CD2-CG 4.35Å; F371-F393 HydrophobicContact CE1-CB 3.79Å; F371-F393 AromaticContact CE1-CD1 3.63Å; F371-F393 HydrophobicContact CE1-CD1 3.63Å; F371-F393 AromaticContact CE1-CD2 3.75Å; F371-F393 HydrophobicContact CE1-CD2 3.75Å; F371-F393 HydrophobicContact CE1-CE1 4.12Å; F371-F393 HydrophobicContact CE1-CE2 4.27Å; F371-F393 AromaticContact CE1-CG 3.43Å; F371-F393 HydrophobicContact CE1-CG 3.43Å; F371-F393 VanDerWaalsContact CE1-CG 3.43Å; F371-F393 HydrophobicContact CE1-CZ 4.43Å; F371-F393 HydrophobicContact CE2-CB 4.33Å; F371-F393 HydrophobicContact CE2-CD2 4.02Å; F371-F393 HydrophobicContact CE2-CG 4.29Å; F371-F393 HydrophobicContact CG-CD1 4.41Å; F371-F393 AromaticContact CG-CD2 3.38Å; F371-F393 HydrophobicContact CG-CD2 3.38Å; F371-F393 HydrophobicContact CG-CE1 4.33Å; F371-F393 AromaticContact CG-CE2 3.33Å; F371-F393 HydrophobicContact CG-CE2 3.33Å; F371-F393 AromaticContact CG-CG 3.98Å; F371-F393 HydrophobicContact CG-CG 3.98Å; F371-F393 AromaticContact CG-CZ 3.84Å; F371-F393 HydrophobicContact CG-CZ 3.84Å; F371-F393 HydrophobicContact CZ-CB 3.78Å; F371-F393 HydrophobicContact CZ-CD1 4.46Å; F371-F393 HydrophobicContact CZ-CD2 4.04Å; F371-F393 AromaticContact CZ-CG 3.84Å; F371-F393 HydrophobicContact CZ-CG 3.84Å; M372-F393 HydrophobicContact CE-CE1 4.02Å; M372-F393 HydrophobicContact CE-CZ 4.39Å; K389-F393 VanDerWaalsContact O-CB 3.29Å; K389-F393 WeakPolarHBondContact O-CB 3.38Å; K389-F393 PolarHBondContact O-N 3.41Å; K391-F393 VanDerWaalsContact C-N 3.33Å; K391-F393 PolarHBondContact O-N 3.48Å; F393-C396 WeakPolarHBondContact O-CB 3.27Å; F393-C396 PolarHBondContact O-N 3.48Å; F393-L397 HydrophobicContact CD1-CD1 3.92Å; F393-L397 HydrophobicContact CD1-CG 4.42Å; F393-L397 HydrophobicContact CE1-CD1 3.33Å; F393-L397 HydrophobicContact CE1-CG 4.05Å; F393-L397 HydrophobicContact CZ-CD1 3.85Å; F393-L397 HydrophobicContact CZ-CD2 4.43Å; F393-L397 HydrophobicContact CZ-CG 4.25Å; F393-L397 WeakPolarHBondContact O-CG 3.5Å; F393-L397 PolarHBondContact O-N 2.83Å; F393-L463 HydrophobicContact CD1-CD1 4.32Å; F393-L463 HydrophobicContact CD1-CD2 4.23Å; F393-L463 HydrophobicContact CE1-CD1 4.49Å |
| 394 | A | 94.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.6 | -41.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V390 K391 A392 C396 L397 L398 L463 L489 L492 | V390-A394 WeakPolarHBondContact O-CB 3.04Å; V390-A394 PolarHBondContact O-N 3.05Å; K391-A394 PolarHBondContact O-N 3.39Å; A392-A394 PolarHBondContact O-N 3.46Å; A394-C396 PolarHBondContact O-N 2.96Å; A394-L397 PolarHBondContact O-N 2.75Å; A394-L398 WeakPolarHBondContact O-CG 3.22Å; A394-L398 PolarHBondContact O-N 2.92Å; A394-L398 VanDerWaalsContact O-N 3.08Å; A394-L463 HydrophobicContact CB-CD2 4Å; A394-L489 HydrophobicContact CB-CD2 3.44Å; A394-L489 VanDerWaalsContact CB-CD2 3.44Å; A394-L492 HydrophobicContact CB-CD1 3.95Å |
| 395 | K | 93.4 | Very high | 86.8 | Confident | 29 Ų | 29 | 39 Ų | 39 | 13% | 0.126 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.9 | -47.7 | 173.7 | -77 | -169.1 | 165.7 | -161.5 | 0 | 111.7 | K391 A392 L397 L398 G399 L400 D403 L492 | K391-K395 PolarHBondContact O-N 2.69Å; A392-K395 PolarHBondContact O-N 2.94Å; K395-L397 VanDerWaalsContact C-N 3.33Å; K395-L397 PolarHBondContact O-N 3.27Å; K395-L398 CarbonylContact O-C 3.56Å; K395-L398 PolarHBondContact O-N 2.85Å; K395-G399 PolarHBondContact O-N 3.44Å; K395-L400 HydrophobicContact CB-CB 4.31Å; K395-L400 PolarHBondContact O-N 2.89Å; K395-D403 IonicContact NZ-OD1 3.97Å; K395-D403 PolarHBondContact NZ-OD1 3.01Å; K395-D403 IonicContact NZ-OD2 3.52Å; K395-D403 PolarHBondContact NZ-OD2 3.13Å; K395-L492 HydrophobicContact CG-CD1 3.66Å; K395-L492 HydrophobicContact CG-CD2 3.93Å; K395-L492 HydrophobicContact CG-CG 4.45Å |
| 396 | C | 92.3 | Very high | 83.6 | Confident | 12 Ų | 12 | 42.6 Ų | 42.6 | 8% | 0.081 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.2 | -44.8 | 175.6 | -74.3 | 0 | 0 | 0 | 0 | 111.9 | Q355 L360 A392 F393 A394 L398 G399 V402 | Q355-C396 HydrophobicContact CB-CB 4.12Å; L360-C396 WeakPolarHBondContact CD1-O 3.48Å; A392-C396 PolarHBondContact O-N 3.21Å; A392-C396 PolarHBondContact O-SG 3.33Å; A392-C396 VanDerWaalsContact O-SG 3.42Å; F393-C396 WeakPolarHBondContact O-CB 3.27Å; F393-C396 PolarHBondContact O-N 3.48Å; A394-C396 PolarHBondContact O-N 2.96Å; C396-L398 PolarHBondContact O-N 2.91Å; C396-G399 PolarHBondContact O-N 3.46Å; C396-V402 WeakPolarHBondContact SG-CG2 3.46Å |
| 397 | L | 92.8 | Very high | 80.3 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.1 | -27.9 | 177.4 | -71.6 | -179.8 | 0 | 0 | 0 | 113.1 | R364 V368 F393 A394 K395 G399 I458 | R364-L397 HydrophobicContact CG-CD2 3.92Å; R364-L397 VanDerWaalsContact CZ-O 3.22Å; R364-L397 PolarHBondContact NE-O 3.39Å; R364-L397 PolarHBondContact NH2-O 2.89Å; V368-L397 HydrophobicContact CG2-CD1 4.42Å; V368-L397 HydrophobicContact CG2-CD2 3.73Å; F393-L397 HydrophobicContact CD1-CD1 3.92Å; F393-L397 HydrophobicContact CD1-CG 4.42Å; F393-L397 HydrophobicContact CE1-CD1 3.33Å; F393-L397 HydrophobicContact CE1-CG 4.05Å; F393-L397 HydrophobicContact CZ-CD1 3.85Å; F393-L397 HydrophobicContact CZ-CD2 4.43Å; F393-L397 HydrophobicContact CZ-CG 4.25Å; F393-L397 WeakPolarHBondContact O-CG 3.5Å; F393-L397 PolarHBondContact O-N 2.83Å; A394-L397 PolarHBondContact O-N 2.75Å; K395-L397 VanDerWaalsContact C-N 3.33Å; K395-L397 PolarHBondContact O-N 3.27Å; L397-G399 VanDerWaalsContact C-N 3.33Å; L397-I458 HydrophobicContact CD1-CG2 3.62Å |
| 398 | L | 91.5 | Very high | 77 | Confident | 31 Ų | 31 | 55 Ų | 55 | 16% | 0.162 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -85.5 | -4.5 | 176.1 | -65.1 | 175.6 | 0 | 0 | 0 | 113.3 | A394 K395 C396 L400 K455 I459 L492 | A394-L398 WeakPolarHBondContact O-CG 3.22Å; A394-L398 PolarHBondContact O-N 2.92Å; A394-L398 VanDerWaalsContact O-N 3.08Å; K395-L398 CarbonylContact O-C 3.56Å; K395-L398 PolarHBondContact O-N 2.85Å; C396-L398 PolarHBondContact O-N 2.91Å; L398-L400 VanDerWaalsContact C-N 3.25Å; L398-L400 HydrophobicContact CB-CD1 4.02Å; L398-L400 HydrophobicContact CB-CG 3.97Å; L398-L400 HydrophobicContact CD1-CD1 4.19Å; L398-K455 HydrophobicContact CD2-CD 4.09Å; L398-I459 HydrophobicContact CD1-CD1 4.17Å; L398-I459 HydrophobicContact CD2-CD1 3.85Å; L398-I459 HydrophobicContact CG-CD1 3.96Å; L398-L492 HydrophobicContact CD1-CB 3.82Å; L398-L492 HydrophobicContact CD1-CD2 4.42Å; L398-L492 HydrophobicContact CD1-CG 4.5Å |
| 399 | G | 89.6 | Confident | 73.6 | Confident | 49 Ų | 49 | 59.2 Ų | 59.2 | 51% | 0.505 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 21 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | K395 C396 L397 | K395-G399 PolarHBondContact O-N 3.44Å; C396-G399 PolarHBondContact O-N 3.46Å; L397-G399 VanDerWaalsContact C-N 3.33Å |
| 400 | L | 88.6 | Confident | 70.1 | Confident | 80 Ų | 80 | 63.7 Ų | 63.7 | 42% | 0.419 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -89.3 | 146.8 | 176.9 | -62 | 174.9 | 0 | 0 | 0 | 109.8 | K395 L398 V402 L492 | K395-L400 HydrophobicContact CB-CB 4.31Å; K395-L400 PolarHBondContact O-N 2.89Å; L398-L400 VanDerWaalsContact C-N 3.25Å; L398-L400 HydrophobicContact CB-CD1 4.02Å; L398-L400 HydrophobicContact CB-CG 3.97Å; L398-L400 HydrophobicContact CD1-CD1 4.19Å; L400-V402 PolarHBondContact O-N 3.36Å; L400-L492 HydrophobicContact CD1-CD2 3.8Å |
| 401 | P | 82.6 | Confident | 66.6 | Low | 105 Ų | 105 | 73.1 Ų | 73.1 | 68% | 0.682 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -61 | 137.5 | 173.9 | 26.8 | -33.4 | 0 | 0 | 0 | 109.8 | D403 | P401-D403 PolarHBondContact O-N 3Š|
| 402 | V | 74.3 | Confident | 63.2 | Low | 51 Ų | 51 | 76.8 Ų | 76.8 | 31% | 0.309 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 120 | 169.2 | -172.9 | 0 | 0 | 0 | 0 | 106.1 | A392 C396 L400 A404 | A392-V402 HydrophobicContact CB-CG1 3.83Å; C396-V402 WeakPolarHBondContact SG-CG2 3.46Å; L400-V402 PolarHBondContact O-N 3.36Å; V402-A404 PolarHBondContact O-N 2.96Å |
| 403 | D | 64.9 | Low | 59.8 | Low | 79 Ų | 79 | 84 Ų | 84 | 42% | 0.422 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 140.4 | 170.2 | -50.4 | -34.7 | 0 | 0 | 0 | 106.6 | K395 P401 D405 | K395-D403 IonicContact NZ-OD1 3.97Å; K395-D403 PolarHBondContact NZ-OD1 3.01Å; K395-D403 IonicContact NZ-OD2 3.52Å; K395-D403 PolarHBondContact NZ-OD2 3.13Å; P401-D403 PolarHBondContact O-N 3Å; D403-D405 PolarHBondContact O-N 2.78Å |
| 404 | A | 47.7 | Very low | 56.4 | Low | 100 Ų | 100 | 91.7 Ų | 91.7 | 83% | 0.826 | 52% | 0.522 | S | S | * | . | trans | -63.9 | 82.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | V402 I406 | V402-A404 PolarHBondContact O-N 2.96Å; A404-I406 PolarHBondContact O-N 3.32Å | ||
| 405 | D | 38.4 | Very low | 53.1 | Low | 75 Ų | 75 | 97.1 Ų | 97.1 | 40% | 0.401 | 56% | 0.561 | S | S | . | * | trans | -63.6 | 109 | -178.1 | -88.9 | -26.9 | 0 | 0 | 0 | 106.5 | K391 D403 N407 | K391-D405 IonicContact NZ-OD1 2.88Å; K391-D405 PolarHBondContact NZ-OD1 3.3Å; K391-D405 IonicContact NZ-OD2 2.62Å; K391-D405 PolarHBondContact NZ-OD2 3.42Å; K391-D405 VanDerWaalsContact NZ-OD2 3.12Å; D403-D405 PolarHBondContact O-N 2.78Å; D405-N407 PolarHBondContact O-N 2.93Å | ||
| 406 | I | 32 | Very low | 49.9 | Very low | 164 Ų | 164 | 103.1 Ų | 103.1 | 84% | 0.841 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -63.6 | 84.9 | 167.7 | -58.9 | 167.7 | 0 | 0 | 0 | 106.2 | A404 | A404-I406 PolarHBondContact O-N 3.32Š|
| 407 | N | 29.5 | Very low | 46.5 | Very low | 142 Ų | 142 | 109.6 Ų | 109.6 | 76% | 0.759 | 63% | 0.633 | S | S | * | * | trans | -161.6 | 20.6 | 168.2 | -94.7 | -22.9 | 0 | 0 | 0 | 112.9 | D405 T409 | D405-N407 PolarHBondContact O-N 2.93Å; N407-T409 PolarHBondContact O-N 2.99Å; N407-T409 VanDerWaalsContact O-N 3.13Å | ||
| 408 | T | 27.6 | Very low | 43.2 | Very low | 119 Ų | 119 | 118.1 Ų | 118.1 | 73% | 0.73 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -67.4 | 107.8 | 151.2 | 4.8 | 0 | 0 | 0 | 0 | 106.3 | D410 | T408-D410 VanDerWaalsContact C-N 3.26Å; T408-D410 PolarHBondContact O-N 3.12Å |
| 409 | T | 24.2 | Very low | 40 | Very low | 120 Ų | 120 | 122.8 Ų | 122.8 | 74% | 0.736 | 70% | 0.695 | S | S | * | * | trans | -58.3 | 85.8 | 175.2 | 45 | 0 | 0 | 0 | 0 | 110.5 | N407 K411 | N407-T409 PolarHBondContact O-N 2.99Å; N407-T409 VanDerWaalsContact O-N 3.13Å; T409-K411 PolarHBondContact O-N 3Å | ||
| 410 | D | 24.1 | Very low | 36.9 | Very low | 141 Ų | 141 | 127.1 Ų | 127.1 | 75% | 0.754 | 72% | 0.716 | S | S | * | * | trans | -68.8 | 85.4 | 152.1 | -88.7 | -20.2 | 0 | 0 | 0 | 106.5 | T408 T412 | T408-D410 VanDerWaalsContact C-N 3.26Å; T408-D410 PolarHBondContact O-N 3.12Å; D410-T412 PolarHBondContact O-N 3.32Å | ||
| 411 | K | 23.8 | Very low | 33.7 | Very low | 197 Ų | 197 | 131.5 Ų | 131.5 | 86% | 0.857 | 73% | 0.732 | S | S | * | * | trans | -70.9 | 72.6 | 156.1 | -80.4 | -175.1 | 177.8 | 176 | 0 | 107.5 | T409 | T409-K411 PolarHBondContact O-N 3Š| ||
| 412 | T | 23.2 | Very low | 30.8 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 67% | 0.669 | 74% | 0.736 | S | S | * | * | trans | -133.9 | 105.9 | 165.6 | 10.7 | 0 | 0 | 0 | 0 | 105.7 | D410 | D410-T412 PolarHBondContact O-N 3.32Š| ||
| 413 | I | 25.1 | Very low | 28.5 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 82% | 0.821 | 76% | 0.759 | S | S | * | * | trans | -59.7 | 137.4 | -173.2 | -68.7 | 165.8 | 0 | 0 | 0 | 110 | S415 | I413-S415 PolarHBondContact O-N 2.89Š| ||
| 414 | N | 23.5 | Very low | 26.3 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | trans | -30.6 | 118.4 | 170.6 | -78.1 | -20.6 | 0 | 0 | 0 | 113.5 | ||||
| 415 | S | 25.8 | Very low | 25.2 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | -105.8 | 136.2 | 155.1 | 58.8 | 0 | 0 | 0 | 0 | 109.7 | I413 | I413-S415 PolarHBondContact O-N 2.89Š| ||
| 416 | D | 26.1 | Very low | 24.3 | Very low | 155 Ų | 155 | 141.4 Ų | 141.4 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | -57.5 | 127.3 | -163.5 | -67.5 | -58.7 | 0 | 0 | 0 | 115.9 | K418 | D416-K418 PolarHBondContact O-N 3.31Š| ||
| 417 | T | 21.5 | Very low | 23.9 | Very low | 147 Ų | 147 | 140.8 Ų | 140.8 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -67.8 | 110.4 | 153.2 | 25.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 418 | K | 24.3 | Very low | 23.7 | Very low | 181 Ų | 181 | 139.4 Ų | 139.4 | 79% | 0.787 | 78% | 0.784 | S | S | * | * | trans | -135.4 | 118.6 | 157.8 | -93.1 | -176.5 | -179.4 | 165.3 | 0 | 112.1 | D416 | D416-K418 PolarHBondContact O-N 3.31Š| ||
| 419 | D | 23.8 | Very low | 23.4 | Very low | 128 Ų | 128 | 139.3 Ų | 139.3 | 68% | 0.684 | 79% | 0.788 | S | S | * | * | trans | 58.6 | 90.5 | 143.3 | -61.7 | -32.3 | 0 | 0 | 0 | 119.4 | ||||
| 420 | C | 22.9 | Very low | 23.5 | Very low | 140 Ų | 140 | 140.6 Ų | 140.6 | 95% | 0.946 | 79% | 0.791 | S | S | * | * | trans | -108.8 | 98.2 | 144.5 | -78.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 421 | K | 21.9 | Very low | 23.5 | Very low | 172 Ų | 172 | 141.6 Ų | 141.6 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | -81.2 | 138.8 | 169.3 | -81.3 | 177.7 | 177.8 | 170.4 | 0 | 110.9 | ||||
| 422 | N | 23.4 | Very low | 23.7 | Very low | 144 Ų | 144 | 141.3 Ų | 141.3 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | 64.6 | 97.2 | 146.3 | -63.3 | -1.7 | 0 | 0 | 0 | 119.4 | ||||
| 423 | S | 24.2 | Very low | 23.7 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -130.8 | 95.3 | 133.6 | 55.5 | 0 | 0 | 0 | 0 | 109.5 | T425 | S423-T425 PolarHBondContact O-N 3.17Š| ||
| 424 | S | 20.3 | Very low | 23.5 | Very low | 108 Ų | 108 | 143.9 Ų | 143.9 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | -59.1 | 112.4 | 174 | -54.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 425 | T | 23 | Very low | 23.6 | Very low | 120 Ų | 120 | 145 Ų | 145 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | trans | -128 | 100.9 | 158.1 | -42.6 | 0 | 0 | 0 | 0 | 108.4 | S423 I427 | S423-T425 PolarHBondContact O-N 3.17Å; T425-I427 PolarHBondContact O-N 3.09Å | ||
| 426 | T | 20.3 | Very low | 23.6 | Very low | 132 Ų | 132 | 146.9 Ų | 146.9 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | -62.5 | 108.1 | 175.9 | -37.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 427 | I | 24 | Very low | 23.6 | Very low | 151 Ų | 151 | 145 Ų | 145 | 77% | 0.774 | 79% | 0.79 | S | S | * | * | trans | -121.7 | 119.8 | 162.6 | -62.8 | 171.2 | 0 | 0 | 0 | 107.3 | T425 | T425-I427 PolarHBondContact O-N 3.09Š| ||
| 428 | T | 24.9 | Very low | 23.9 | Very low | 114 Ų | 114 | 147.1 Ų | 147.1 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | -58.3 | 143.5 | -173 | 38.4 | 0 | 0 | 0 | 0 | 113.6 | D430 | T428-D430 PolarHBondContact O-N 3.22Š| ||
| 429 | S | 22.2 | Very low | 24 | Very low | 116 Ų | 116 | 146.1 Ų | 146.1 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -68.3 | 99.5 | 178.3 | -28.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 430 | D | 24.4 | Very low | 24 | Very low | 148 Ų | 148 | 150 Ų | 150 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | -125.1 | 81.1 | 160.9 | -86.4 | -34.4 | 0 | 0 | 0 | 108 | T428 K432 | T428-D430 PolarHBondContact O-N 3.22Å; D430-K432 PolarHBondContact O-N 2.97Å | ||
| 431 | N | 26.2 | Very low | 24.1 | Very low | 162 Ų | 162 | 152.4 Ų | 152.4 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | trans | -67.5 | 77.1 | 167 | -85.1 | -14.1 | 0 | 0 | 0 | 108.9 | I433 | N431-I433 PolarHBondContact O-N 2.87Š| ||
| 432 | K | 26.3 | Very low | 24.3 | Very low | 191 Ų | 191 | 149.5 Ų | 149.5 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | trans | -85.4 | 92.3 | 163.9 | -151 | 175.4 | -171.8 | 180 | 0 | 107.2 | D430 M434 | D430-K432 PolarHBondContact O-N 2.97Å; K432-M434 PolarHBondContact O-N 3.23Å | ||
| 433 | I | 24 | Very low | 24.5 | Very low | 151 Ų | 151 | 148.9 Ų | 148.9 | 77% | 0.774 | 80% | 0.797 | S | S | * | * | trans | -45.7 | 107.3 | 167.8 | -65.5 | 163.6 | 0 | 0 | 0 | 107.4 | N431 E435 | N431-I433 PolarHBondContact O-N 2.87Å; I433-E435 PolarHBondContact O-N 2.98Å | ||
| 434 | M | 21.6 | Very low | 24.7 | Very low | 171 Ų | 171 | 151.4 Ų | 151.4 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | trans | -75.9 | 109.1 | 165.4 | -91.6 | -168.8 | -79.9 | 0 | 0 | 106.6 | K432 I436 | K432-M434 PolarHBondContact O-N 3.23Å; M434-I436 PolarHBondContact O-N 2.81Å; M434-I436 VanDerWaalsContact O-N 3.08Å | ||
| 435 | E | 24.2 | Very low | 25.2 | Very low | 184 Ų | 184 | 153.7 Ų | 153.7 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -55.1 | 108.5 | 163.3 | -79 | 172.8 | 146.2 | 0 | 0 | 108.3 | I433 D437 | I433-E435 PolarHBondContact O-N 2.98Å; E435-D437 PolarHBondContact O-N 3.38Å | ||
| 436 | I | 27.2 | Very low | 25.5 | Very low | 156 Ų | 156 | 155.1 Ų | 155.1 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | trans | -73.9 | 104.1 | 166.1 | -64.9 | 172.7 | 0 | 0 | 0 | 105.2 | M434 E438 | M434-I436 PolarHBondContact O-N 2.81Å; M434-I436 VanDerWaalsContact O-N 3.08Å; I436-E438 PolarHBondContact O-N 2.96Å | ||
| 437 | D | 25.2 | Very low | 26 | Very low | 115 Ų | 115 | 155.7 Ų | 155.7 | 62% | 0.615 | 81% | 0.806 | S | S | * | * | trans | -56.3 | 107 | 174.7 | -160.7 | 19.9 | 0 | 0 | 0 | 108.2 | E435 K439 | E435-D437 PolarHBondContact O-N 3.38Å; D437-K439 VanDerWaalsContact C-N 3.26Å; D437-K439 PolarHBondContact O-N 3.28Å; D437-K439 IonicContact OD1-NZ 3.62Å; D437-K439 IonicContact OD2-NZ 2.73Å; D437-K439 PolarHBondContact OD2-NZ 2.8Å | ||
| 438 | E | 27.5 | Very low | 26.5 | Very low | 192 Ų | 192 | 153.9 Ų | 153.9 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | trans | -61.1 | 85.4 | 173 | -74.4 | -178.9 | 154.9 | 0 | 0 | 109.4 | I436 | I436-E438 PolarHBondContact O-N 2.96Š| ||
| 439 | K | 26.1 | Very low | 26.9 | Very low | 160 Ų | 160 | 154.5 Ų | 154.5 | 70% | 0.696 | 80% | 0.797 | S | S | * | * | trans | -127 | 69.8 | 166.6 | -78.4 | -176.3 | -174.9 | 119.5 | 0 | 109.6 | D437 | D437-K439 VanDerWaalsContact C-N 3.26Å; D437-K439 PolarHBondContact O-N 3.28Å; D437-K439 IonicContact OD1-NZ 3.62Å; D437-K439 IonicContact OD2-NZ 2.73Å; D437-K439 PolarHBondContact OD2-NZ 2.8Å | ||
| 440 | F | 25.3 | Very low | 27.7 | Very low | 210 Ų | 210 | 156.7 Ų | 156.7 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -130.7 | 49.6 | 164.1 | -120.3 | -85 | 0 | 0 | 0 | 110.3 | ||||
| 441 | E | 23.8 | Very low | 28.8 | Very low | 189 Ų | 189 | 152.4 Ų | 152.4 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | trans | -127.4 | 98.4 | 163.4 | -80.6 | -170.2 | 161.3 | 0 | 0 | 108.7 | ||||
| 442 | S | 26.6 | Very low | 29.4 | Very low | 112 Ų | 112 | 149.4 Ų | 149.4 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | 166 | 72.7 | 140.3 | 65.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 443 | V | 27.6 | Very low | 30.5 | Very low | 131 Ų | 131 | 142 Ų | 142 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | trans | -122.6 | 70.5 | 153.7 | -172.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 444 | N | 28.8 | Very low | 32.6 | Very low | 166 Ų | 166 | 137.6 Ų | 137.6 | 89% | 0.888 | 73% | 0.725 | S | S | * | * | trans | -120.4 | 27.4 | 174.2 | -98.6 | -6.6 | 0 | 0 | 0 | 111.6 | ||||
| 445 | D | 30.5 | Very low | 35.1 | Very low | 156 Ų | 156 | 131.4 Ų | 131.4 | 83% | 0.834 | 69% | 0.693 | S | S | * | * | trans | -102.8 | 90.2 | 165.3 | -85.3 | -28.5 | 0 | 0 | 0 | 108.6 | ||||
| 446 | L | 29.5 | Very low | 37.6 | Very low | 151 Ų | 151 | 126 Ų | 126 | 79% | 0.791 | 67% | 0.671 | S | S | * | * | trans | -164.8 | 91.9 | 153.9 | -97 | 151.2 | 0 | 0 | 0 | 107.9 | D448 | L446-D448 PolarHBondContact O-N 2.7Š| ||
| 447 | N | 30.9 | Very low | 40.4 | Very low | 144 Ų | 144 | 122.7 Ų | 122.7 | 77% | 0.77 | 65% | 0.654 | S | S | * | * | trans | -80.9 | 52.4 | -174.9 | -150.3 | 7.1 | 0 | 0 | 0 | 111.5 | ||||
| 448 | D | 33.3 | Very low | 43.4 | Very low | 112 Ų | 112 | 118 Ų | 118 | 60% | 0.599 | 63% | 0.629 | S | S | * | * | trans | -103.2 | 67.3 | 177.1 | -86.5 | -25.6 | 0 | 0 | 0 | 111.3 | L446 N450 S451 | L446-D448 PolarHBondContact O-N 2.7Å; D448-N450 PolarHBondContact O-N 3.48Å; D448-S451 PolarHBondContact O-N 3.39Å; D448-S451 VanDerWaalsContact O-N 3.09Å | ||
| 449 | N | 33.9 | Very low | 46.3 | Very low | 128 Ų | 128 | 109.1 Ų | 109.1 | 68% | 0.684 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -9.8 | 178.3 | -72.9 | -35.4 | 0 | 0 | 0 | 114.3 | ||
| 450 | N | 39.6 | Very low | 49.3 | Very low | 162 Ų | 162 | 103.8 Ų | 103.8 | 87% | 0.866 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -16.2 | 175.3 | -77.3 | -10.1 | 0 | 0 | 0 | 114 | D448 | D448-N450 PolarHBondContact O-N 3.48Š|
| 451 | S | 46.7 | Very low | 52.3 | Low | 57 Ų | 57 | 99.7 Ų | 99.7 | 40% | 0.399 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -84.3 | -21.6 | 179.2 | 166.1 | 0 | 0 | 0 | 0 | 113.1 | D448 S454 | D448-S451 PolarHBondContact O-N 3.39Å; D448-S451 VanDerWaalsContact O-N 3.09Å; S451-S454 PolarHBondContact O-OG 2.73Å |
| 452 | L | 37.7 | Very low | 55.5 | Low | 99 Ų | 99 | 94.7 Ų | 94.7 | 52% | 0.518 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -74.5 | -32.9 | -172.6 | -152.1 | 73.8 | 0 | 0 | 0 | 112.3 | K455 | L452-K455 HydrophobicContact CD1-CD 4.28Å; L452-K455 WeakPolarHBondContact O-CG 3.44Å |
| 453 | G | 49.7 | Very low | 58.7 | Low | 37 Ų | 37 | 89.4 Ų | 89.4 | 38% | 0.381 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K455 D456 D457 | G453-K455 VanDerWaalsContact C-N 3.29Å; G453-K455 PolarHBondContact O-N 3.47Å; G453-D456 PolarHBondContact O-N 2.92Å; G453-D457 WeakPolarHBondContact O-CB 3.39Å; G453-D457 PolarHBondContact O-N 3.47Å; G453-D457 VanDerWaalsContact O-OD2 3.11Å |
| 454 | S | 69.2 | Low | 61.9 | Low | 57 Ų | 57 | 83.6 Ų | 83.6 | 40% | 0.399 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.7 | -25.5 | -172.2 | 72.7 | 0 | 0 | 0 | 0 | 114.4 | S451 I458 | S451-S454 PolarHBondContact O-OG 2.73Å; S454-I458 WeakPolarHBondContact O-CD1 3.37Å; S454-I458 VanDerWaalsContact O-CG1 3.3Å; S454-I458 WeakPolarHBondContact O-CG1 3.17Å; S454-I458 PolarHBondContact O-N 2.92Å |
| 455 | K | 73.1 | Confident | 65 | Low | 42 Ų | 42 | 78.9 Ų | 78.9 | 18% | 0.183 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -78.6 | -45.2 | -179.4 | 53 | 162.6 | -158.2 | -178 | 0 | 112.1 | L398 L452 G453 D457 I458 I459 | L398-K455 HydrophobicContact CD2-CD 4.09Å; L452-K455 HydrophobicContact CD1-CD 4.28Å; L452-K455 WeakPolarHBondContact O-CG 3.44Å; G453-K455 VanDerWaalsContact C-N 3.29Å; G453-K455 PolarHBondContact O-N 3.47Å; K455-D457 VanDerWaalsContact C-N 3.25Å; K455-D457 PolarHBondContact O-N 2.78Å; K455-I458 PolarHBondContact O-N 3.35Å; K455-I459 PolarHBondContact O-N 3.49Å |
| 456 | D | 77 | Confident | 68 | Low | 71 Ų | 71 | 71.6 Ų | 71.6 | 38% | 0.38 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -69.5 | -34.9 | 179.5 | -61.7 | -24.4 | 0 | 0 | 0 | 108.4 | G453 I458 I459 M460 | G453-D456 PolarHBondContact O-N 2.92Å; D456-I458 VanDerWaalsContact C-N 3.35Å; D456-I458 PolarHBondContact O-N 3.26Å; D456-I459 PolarHBondContact O-N 3.49Å; D456-M460 WeakPolarHBondContact O-CB 3.25Å; D456-M460 WeakPolarHBondContact O-CG 3.47Å; D456-M460 PolarHBondContact O-N 3.15Å |
| 457 | D | 86.2 | Confident | 71.2 | Confident | 86 Ų | 86 | 64.4 Ų | 64.4 | 46% | 0.46 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.5 | -40 | 172.1 | -70.9 | -18.8 | 0 | 0 | 0 | 112.9 | G453 K455 L461 | G453-D457 WeakPolarHBondContact O-CB 3.39Å; G453-D457 PolarHBondContact O-N 3.47Å; G453-D457 VanDerWaalsContact O-OD2 3.11Å; K455-D457 VanDerWaalsContact C-N 3.25Å; K455-D457 PolarHBondContact O-N 2.78Å; D457-L461 HydrophobicContact CB-CD1 4.11Å; D457-L461 WeakPolarHBondContact O-CA 3.18Å; D457-L461 WeakPolarHBondContact O-CB 3.46Å; D457-L461 WeakPolarHBondContact O-CG 3.33Å; D457-L461 PolarHBondContact O-N 3.34Å |
| 458 | I | 88.4 | Confident | 74.2 | Confident | 17 Ų | 17 | 64 Ų | 64 | 9% | 0.087 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.8 | -47.3 | 176.8 | -68.7 | 160.2 | 0 | 0 | 0 | 110.5 | R364 V368 L397 S454 K455 D456 Q462 L463 | R364-I458 HydrophobicContact CB-CD1 4.17Å; R364-I458 HydrophobicContact CG-CD1 4.28Å; V368-I458 HydrophobicContact CG1-CG2 3.86Å; V368-I458 HydrophobicContact CG2-CD1 4.33Å; V368-I458 HydrophobicContact CG2-CG2 3.87Å; L397-I458 HydrophobicContact CD1-CG2 3.62Å; S454-I458 WeakPolarHBondContact O-CD1 3.37Å; S454-I458 VanDerWaalsContact O-CG1 3.3Å; S454-I458 WeakPolarHBondContact O-CG1 3.17Å; S454-I458 PolarHBondContact O-N 2.92Å; K455-I458 PolarHBondContact O-N 3.35Å; D456-I458 VanDerWaalsContact C-N 3.35Å; D456-I458 PolarHBondContact O-N 3.26Å; I458-Q462 WeakPolarHBondContact O-CA 3.34Å; I458-Q462 VanDerWaalsContact O-CB 3.31Å; I458-Q462 WeakPolarHBondContact O-CB 3.41Å; I458-Q462 PolarHBondContact O-N 3.42Å; I458-L463 PolarHBondContact O-N 3.1Å; I458-L463 VanDerWaalsContact O-N 3.12Å |
| 459 | I | 89.2 | Confident | 77 | Confident | 5 Ų | 5 | 62.1 Ų | 62.1 | 3% | 0.026 | 35% | 0.346 | C | S | . | . | I | π-helix | trans | -64.1 | -47.5 | -179.6 | -64.4 | 175.8 | 0 | 0 | 0 | 109.8 | L398 K455 D456 L463 L464 I493 | L398-I459 HydrophobicContact CD1-CD1 4.17Å; L398-I459 HydrophobicContact CD2-CD1 3.85Å; L398-I459 HydrophobicContact CG-CD1 3.96Å; K455-I459 PolarHBondContact O-N 3.49Å; D456-I459 PolarHBondContact O-N 3.49Å; I459-L463 WeakPolarHBondContact O-CB 3.18Å; I459-L463 PolarHBondContact O-N 3.1Å; I459-L464 HydrophobicContact CG2-CG 4.35Å; I459-L464 WeakPolarHBondContact O-CG 3.36Å; I459-L464 PolarHBondContact O-N 3.42Å; I459-I493 HydrophobicContact CG2-CG2 3.82Å |
| 460 | M | 87.5 | Confident | 79.9 | Confident | 48 Ų | 48 | 56.4 Ų | 56.4 | 24% | 0.236 | 32% | 0.315 | C | S | . | . | I | π-helix | trans | -71.4 | -45.1 | -174.7 | -71.9 | -65.2 | -63.2 | 0 | 0 | 113.7 | D456 L464 P465 L497 H501 | D456-M460 WeakPolarHBondContact O-CB 3.25Å; D456-M460 WeakPolarHBondContact O-CG 3.47Å; D456-M460 PolarHBondContact O-N 3.15Å; M460-L464 HydrophobicContact CE-CD1 4.47Å; M460-L464 HydrophobicContact SD-CD1 3.51Å; M460-L464 VanDerWaalsContact SD-CD1 3.51Å; M460-P465 VanDerWaalsContact O-CD 3.27Å; M460-P465 WeakPolarHBondContact O-CD 3.32Å; M460-L497 HydrophobicContact CE-CD1 4.45Å; M460-L497 HydrophobicContact CE-CD2 3.44Å; M460-L497 VanDerWaalsContact CE-CD2 3.44Å; M460-L497 HydrophobicContact CG-CD1 4.32Å; M460-L497 HydrophobicContact SD-CB 4.46Å; M460-L497 HydrophobicContact SD-CD1 3.49Å; M460-L497 WeakPolarHBondContact SD-CD1 3.23Å; M460-L497 HydrophobicContact SD-CD2 3.56Å; M460-L497 VanDerWaalsContact SD-CD2 3.56Å; M460-L497 HydrophobicContact SD-CG 4.02Å; M460-H501 VanDerWaalsContact CE-NE2 3.3Å; M460-H501 WeakPolarHBondContact CE-NE2 3.46Å |
| 461 | L | 89.1 | Confident | 82.4 | Confident | 124 Ų | 124 | 49 Ų | 49 | 65% | 0.649 | 28% | 0.276 | S | S | * | . | I | π-helix | trans | -94.4 | -17.6 | -170.9 | -55.9 | 177.1 | 0 | 0 | 0 | 113.2 | D457 | D457-L461 HydrophobicContact CB-CD1 4.11Å; D457-L461 WeakPolarHBondContact O-CA 3.18Å; D457-L461 WeakPolarHBondContact O-CB 3.46Å; D457-L461 WeakPolarHBondContact O-CG 3.33Å; D457-L461 PolarHBondContact O-N 3.34Å |
| 462 | Q | 91.4 | Very high | 84.5 | Confident | 84 Ų | 84 | 52.1 Ų | 52.1 | 39% | 0.393 | 29% | 0.288 | S | S | . | . | I | π-helix | trans | -119.6 | -56.5 | -179.1 | -53.1 | -175 | 45.6 | 0 | 0 | 112.1 | V368 M372 I458 P465 A466 | V368-Q462 VanDerWaalsContact CG1-OE1 3.25Å; M372-Q462 HydrophobicContact CE-CB 4.05Å; M372-Q462 HydrophobicContact SD-CB 4.28Å; I458-Q462 WeakPolarHBondContact O-CA 3.34Å; I458-Q462 VanDerWaalsContact O-CB 3.31Å; I458-Q462 WeakPolarHBondContact O-CB 3.41Å; I458-Q462 PolarHBondContact O-N 3.42Å; Q462-P465 WeakPolarHBondContact O-CD 3.45Å; Q462-A466 WeakPolarHBondContact O-CB 3.29Å; Q462-A466 PolarHBondContact O-N 3.27Å |
| 463 | L | 94 | Very high | 86.9 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | I | π-helix | trans | -69.5 | -49.6 | -172.4 | -174.7 | 60.9 | 0 | 0 | 0 | 112.8 | F371 M372 L375 V390 F393 A394 I458 I459 A466 I467 | F371-L463 HydrophobicContact CE1-CD1 4.43Å; M372-L463 HydrophobicContact CE-CB 3.96Å; M372-L463 HydrophobicContact CE-CD1 3.97Å; L375-L463 HydrophobicContact CD1-CD1 3.98Å; V390-L463 HydrophobicContact CG1-CD1 4.38Å; F393-L463 HydrophobicContact CD1-CD1 4.32Å; F393-L463 HydrophobicContact CD1-CD2 4.23Å; F393-L463 HydrophobicContact CE1-CD1 4.49Å; A394-L463 HydrophobicContact CB-CD2 4Å; I458-L463 PolarHBondContact O-N 3.1Å; I458-L463 VanDerWaalsContact O-N 3.12Å; I459-L463 WeakPolarHBondContact O-CB 3.18Å; I459-L463 PolarHBondContact O-N 3.1Å; L463-A466 WeakPolarHBondContact O-CB 3.26Å; L463-A466 PolarHBondContact O-N 3.03Å; L463-I467 HydrophobicContact CD1-CD1 4.05Å; L463-I467 HydrophobicContact CD1-CG1 4.3Å; L463-I467 HydrophobicContact CD2-CD1 4.39Å; L463-I467 HydrophobicContact CG-CD1 3.72Å; L463-I467 HydrophobicContact CG-CG1 4.4Å; L463-I467 VanDerWaalsContact O-CG1 3.3Å; L463-I467 WeakPolarHBondContact O-CG1 3.33Å; L463-I467 PolarHBondContact O-N 3.1Å |
| 464 | L | 93.8 | Very high | 88.9 | Confident | 9 Ų | 9 | 52.7 Ų | 52.7 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.9 | -42.7 | -179.4 | -70 | -179 | 0 | 0 | 0 | 113.1 | I459 M460 A466 I467 K468 H501 L502 | I459-L464 HydrophobicContact CG2-CG 4.35Å; I459-L464 WeakPolarHBondContact O-CG 3.36Å; I459-L464 PolarHBondContact O-N 3.42Å; M460-L464 HydrophobicContact CE-CD1 4.47Å; M460-L464 HydrophobicContact SD-CD1 3.51Å; M460-L464 VanDerWaalsContact SD-CD1 3.51Å; L464-A466 PolarHBondContact O-N 3.38Å; L464-I467 HydrophobicContact CD2-CD1 4.38Å; L464-I467 PolarHBondContact O-N 3.44Å; L464-K468 WeakPolarHBondContact O-CB 3.12Å; L464-K468 PolarHBondContact O-N 2.94Å; L464-H501 HydrophobicContact CD1-CB 3.94Å; L464-L502 HydrophobicContact CD2-CD2 3.72Å |
| 465 | P | 93.9 | Very high | 90.2 | Very high | 68 Ų | 68 | 52.1 Ų | 52.1 | 44% | 0.442 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.6 | -42.9 | 171.5 | -29.2 | 37.4 | 0 | 0 | 0 | 113.5 | M460 Q462 K468 S469 | M460-P465 VanDerWaalsContact O-CD 3.27Å; M460-P465 WeakPolarHBondContact O-CD 3.32Å; Q462-P465 WeakPolarHBondContact O-CD 3.45Å; P465-K468 PolarHBondContact O-N 2.85Å; P465-S469 PolarHBondContact O-N 2.88Å |
| 466 | A | 95.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 2% | 0.017 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.2 | -46.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | M372 L375 Q462 L463 L464 K468 S469 L470 | M372-A466 HydrophobicContact SD-CB 4.19Å; L375-A466 HydrophobicContact CD1-CB 4.13Å; Q462-A466 WeakPolarHBondContact O-CB 3.29Å; Q462-A466 PolarHBondContact O-N 3.27Å; L463-A466 WeakPolarHBondContact O-CB 3.26Å; L463-A466 PolarHBondContact O-N 3.03Å; L464-A466 PolarHBondContact O-N 3.38Å; A466-K468 VanDerWaalsContact C-N 3.33Å; A466-K468 PolarHBondContact O-N 3.05Å; A466-S469 WeakPolarHBondContact O-CB 3.45Å; A466-S469 PolarHBondContact O-N 3.22Å; A466-S469 VanDerWaalsContact O-N 3.14Å; A466-L470 WeakPolarHBondContact O-CG 3.47Å; A466-L470 PolarHBondContact O-N 2.88Å |
| 467 | I | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.8 | -45 | 175.4 | -72.9 | 168.3 | 0 | 0 | 0 | 111.4 | V390 L463 L464 S469 L470 T471 L482 I486 L489 I505 | V390-I467 HydrophobicContact CG1-CG1 4.46Å; L463-I467 HydrophobicContact CD1-CD1 4.05Å; L463-I467 HydrophobicContact CD1-CG1 4.3Å; L463-I467 HydrophobicContact CD2-CD1 4.39Å; L463-I467 HydrophobicContact CG-CD1 3.72Å; L463-I467 HydrophobicContact CG-CG1 4.4Å; L463-I467 VanDerWaalsContact O-CG1 3.3Å; L463-I467 WeakPolarHBondContact O-CG1 3.33Å; L463-I467 PolarHBondContact O-N 3.1Å; L464-I467 HydrophobicContact CD2-CD1 4.38Å; L464-I467 PolarHBondContact O-N 3.44Å; I467-S469 VanDerWaalsContact C-N 3.26Å; I467-S469 PolarHBondContact O-N 2.86Å; I467-L470 PolarHBondContact O-N 3.21Å; I467-L470 VanDerWaalsContact O-N 3.11Å; I467-T471 PolarHBondContact O-N 2.99Å; I467-T471 PolarHBondContact O-OG1 2.74Å; I467-L482 HydrophobicContact CG1-CD1 4.4Å; I467-L482 HydrophobicContact CG2-CD1 4.24Å; I467-L482 HydrophobicContact CG2-CD2 4.3Å; I467-I486 HydrophobicContact CD1-CD1 3.78Å; I467-I486 HydrophobicContact CG1-CD1 4.35Å; I467-I486 HydrophobicContact CG2-CD1 3.45Å; I467-I486 VanDerWaalsContact CG2-CD1 3.45Å; I467-I486 HydrophobicContact CG2-CG1 4.24Å; I467-L489 HydrophobicContact CD1-CD1 3.45Å; I467-L489 VanDerWaalsContact CD1-CD1 3.45Å; I467-I505 HydrophobicContact CG2-CD1 3.86Å |
| 468 | K | 94.1 | Very high | 92.5 | Very high | 137 Ų | 137 | 51.1 Ų | 51.1 | 60% | 0.596 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61.8 | -36.2 | 178.3 | -175.4 | 176.6 | -178.9 | 176.6 | 0 | 111.8 | L464 P465 A466 N472 I505 | L464-K468 WeakPolarHBondContact O-CB 3.12Å; L464-K468 PolarHBondContact O-N 2.94Å; P465-K468 PolarHBondContact O-N 2.85Å; A466-K468 VanDerWaalsContact C-N 3.33Å; A466-K468 PolarHBondContact O-N 3.05Å; K468-N472 PolarHBondContact O-ND2 3.01Å; K468-I505 HydrophobicContact CB-CD1 4.45Å |
| 469 | S | 93.3 | Very high | 92.9 | Very high | 71 Ų | 71 | 51.6 Ų | 51.6 | 50% | 0.497 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.4 | -46.7 | 172.3 | -168.8 | 0 | 0 | 0 | 0 | 111.2 | P465 A466 I467 T471 N472 | P465-S469 PolarHBondContact O-N 2.88Å; A466-S469 WeakPolarHBondContact O-CB 3.45Å; A466-S469 PolarHBondContact O-N 3.22Å; A466-S469 VanDerWaalsContact O-N 3.14Å; I467-S469 VanDerWaalsContact C-N 3.26Å; I467-S469 PolarHBondContact O-N 2.86Å; S469-T471 VanDerWaalsContact C-N 3.28Å; S469-T471 PolarHBondContact O-N 3.24Å; S469-N472 PolarHBondContact O-N 2.81Å; S469-N472 VanDerWaalsContact O-N 3.1Å |
| 470 | L | 94.2 | Very high | 93.2 | Very high | 8 Ų | 8 | 52.3 Ų | 52.3 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.3 | -26.4 | -179.8 | -69 | 172 | 0 | 0 | 0 | 114.1 | L375 R383 A387 A466 I467 N472 E473 V478 L482 | L375-L470 HydrophobicContact CB-CD1 4.32Å; L375-L470 HydrophobicContact CD2-CD1 3.7Å; L375-L470 WeakPolarHBondContact O-CD2 3.34Å; R383-L470 HydrophobicContact CB-CD2 4.49Å; A387-L470 HydrophobicContact CB-CD1 4.3Å; A466-L470 WeakPolarHBondContact O-CG 3.47Å; A466-L470 PolarHBondContact O-N 2.88Å; I467-L470 PolarHBondContact O-N 3.21Å; I467-L470 VanDerWaalsContact O-N 3.11Å; L470-N472 PolarHBondContact O-N 3.45Å; L470-E473 WeakPolarHBondContact O-CB 3.48Å; L470-E473 PolarHBondContact O-N 3.31Å; L470-V478 HydrophobicContact CD2-CG1 3.7Å; L470-L482 HydrophobicContact CB-CD2 3.81Å |
| 471 | T | 92.6 | Very high | 93.7 | Very high | 7 Ų | 7 | 51 Ų | 51 | 4% | 0.043 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.3 | -30.5 | 174.1 | -52.3 | 0 | 0 | 0 | 0 | 111.9 | I467 S469 E473 I505 T508 Q509 | I467-T471 PolarHBondContact O-N 2.99Å; I467-T471 PolarHBondContact O-OG1 2.74Å; S469-T471 VanDerWaalsContact C-N 3.28Å; S469-T471 PolarHBondContact O-N 3.24Å; T471-E473 VanDerWaalsContact C-N 3.35Å; T471-I505 HydrophobicContact CG2-CG2 3.89Å; T471-I505 WeakPolarHBondContact OG1-CG2 3.43Å; T471-T508 HydrophobicContact CG2-CG2 3.99Å; T471-Q509 HydrophobicContact CG2-CG 4.21Å |
| 472 | N | 90.2 | Very high | 94 | Very high | 122 Ų | 122 | 45.1 Ų | 45.1 | 65% | 0.652 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | 11.2 | 179.5 | -60.9 | -65 | 0 | 0 | 0 | 112.8 | K468 S469 L470 | K468-N472 PolarHBondContact O-ND2 3.01Å; S469-N472 PolarHBondContact O-N 2.81Å; S469-N472 VanDerWaalsContact O-N 3.1Å; L470-N472 PolarHBondContact O-N 3.45Å |
| 473 | E | 88.1 | Confident | 94.3 | Very high | 40 Ų | 40 | 41.1 Ų | 41.1 | 19% | 0.187 | 23% | 0.232 | C | C | . | . | trans | -67.8 | 141.3 | 179 | 176.1 | 55.3 | -102.8 | 0 | 0 | 111.6 | R383 L470 T471 N475 V478 K479 | R383-E473 IonicContact CZ-OE2 3.29Å; R383-E473 VanDerWaalsContact CZ-OE2 3.26Å; R383-E473 IonicContact NE-OE2 3.41Å; R383-E473 PolarHBondContact NE-OE2 2.77Å; R383-E473 VanDerWaalsContact NH2-CD 3.25Å; R383-E473 IonicContact NH2-OE1 3.67Å; R383-E473 IonicContact NH2-OE2 2.8Å; R383-E473 PolarHBondContact NH2-OE2 3.06Å; L470-E473 WeakPolarHBondContact O-CB 3.48Å; L470-E473 PolarHBondContact O-N 3.31Å; T471-E473 VanDerWaalsContact C-N 3.35Å; E473-N475 HydrophobicContact CG-CB 4.05Å; E473-N475 PolarHBondContact OE1-N 3.29Å; E473-N475 VanDerWaalsContact OE1-N 3.14Å; E473-V478 HydrophobicContact CB-CG1 4.38Å; E473-V478 HydrophobicContact CG-CB 3.92Å; E473-V478 HydrophobicContact CG-CG1 3.98Å; E473-V478 HydrophobicContact CG-CG2 4.27Å; E473-K479 HydrophobicContact CB-CG 4.49Å; E473-K479 VanDerWaalsContact O-CD 3.26Å; E473-K479 WeakPolarHBondContact O-CD 3.39Å; E473-K479 WeakPolarHBondContact O-CE 3.11Å | ||
| 474 | S | 92 | Very high | 94.3 | Very high | 109 Ų | 109 | 43.7 Ų | 43.7 | 76% | 0.762 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -70.5 | -35.4 | 176.6 | 64.2 | 0 | 0 | 0 | 0 | 112.9 | T476 | S474-T476 PolarHBondContact O-N 2.83Š|
| 475 | N | 95.3 | Very high | 94.4 | Very high | 45 Ų | 45 | 43.5 Ų | 43.5 | 24% | 0.241 | 25% | 0.249 | C | C | . | . | trans | -71.6 | 121.9 | -178.4 | -171.3 | -69.9 | 0 | 0 | 0 | 111.9 | A380 E473 H477 V478 K479 | A380-N475 HydrophobicContact CB-CB 3.76Å; A380-N475 WeakPolarHBondContact CB-ND2 3.14Å; E473-N475 HydrophobicContact CG-CB 4.05Å; E473-N475 PolarHBondContact OE1-N 3.29Å; E473-N475 VanDerWaalsContact OE1-N 3.14Å; N475-H477 PolarHBondContact O-N 3.44Å; N475-H477 WeakPolarHBondContact OD1-CA 3.37Å; N475-H477 VanDerWaalsContact OD1-CB 3.24Å; N475-H477 WeakPolarHBondContact OD1-CB 3.29Å; N475-H477 PolarHBondContact OD1-N 3.21Å; N475-V478 HydrophobicContact CB-CB 4.42Å; N475-V478 HydrophobicContact CB-CG2 3.97Å; N475-V478 PolarHBondContact O-N 3.08Å; N475-V478 PolarHBondContact OD1-N 3.3Å; N475-K479 PolarHBondContact O-N 3.14Å | ||
| 476 | T | 94.5 | Very high | 94.4 | Very high | 75 Ų | 75 | 40.2 Ų | 40.2 | 46% | 0.46 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.1 | -32.7 | -176.8 | 48.4 | 0 | 0 | 0 | 0 | 113.9 | S474 S480 N514 | S474-T476 PolarHBondContact O-N 2.83Å; T476-S480 VanDerWaalsContact O-CB 3.31Å; T476-S480 WeakPolarHBondContact O-CB 3.5Å; T476-S480 PolarHBondContact O-N 3.14Å; T476-N514 WeakPolarHBondContact CB-ND2 3.25Å; T476-N514 HydrophobicContact CG2-CB 4.4Å |
| 477 | H | 94.5 | Very high | 94.3 | Very high | 102 Ų | 102 | 40.2 Ų | 40.2 | 47% | 0.472 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -68 | -43.7 | 178.9 | -169.7 | -100.7 | 0 | 0 | 0 | 110.5 | A384 N475 K479 S480 S481 | A384-H477 WeakPolarHBondContact CB-ND1 3.47Å; N475-H477 PolarHBondContact O-N 3.44Å; N475-H477 WeakPolarHBondContact OD1-CA 3.37Å; N475-H477 VanDerWaalsContact OD1-CB 3.24Å; N475-H477 WeakPolarHBondContact OD1-CB 3.29Å; N475-H477 PolarHBondContact OD1-N 3.21Å; H477-K479 PolarHBondContact O-N 3.42Å; H477-S480 WeakPolarHBondContact O-CB 3.46Å; H477-S480 PolarHBondContact O-N 3.23Å; H477-S481 PolarHBondContact O-N 2.71Å; H477-S481 PolarHBondContact O-OG 3.14Å |
| 478 | V | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.9 | -48.9 | 175.4 | -179.8 | 0 | 0 | 0 | 0 | 111.4 | A380 R383 A384 L470 E473 N475 S480 S481 L482 | A380-V478 HydrophobicContact CB-CG2 3.99Å; A380-V478 WeakPolarHBondContact O-CG2 3.46Å; R383-V478 HydrophobicContact CB-CG1 4.23Å; R383-V478 HydrophobicContact CB-CG2 3.91Å; A384-V478 HydrophobicContact CB-CG2 4.06Å; L470-V478 HydrophobicContact CD2-CG1 3.7Å; E473-V478 HydrophobicContact CB-CG1 4.38Å; E473-V478 HydrophobicContact CG-CB 3.92Å; E473-V478 HydrophobicContact CG-CG1 3.98Å; E473-V478 HydrophobicContact CG-CG2 4.27Å; N475-V478 HydrophobicContact CB-CB 4.42Å; N475-V478 HydrophobicContact CB-CG2 3.97Å; N475-V478 PolarHBondContact O-N 3.08Å; N475-V478 PolarHBondContact OD1-N 3.3Å; V478-S480 VanDerWaalsContact C-N 3.29Å; V478-S480 PolarHBondContact O-N 2.95Å; V478-S481 PolarHBondContact O-N 3Å; V478-L482 WeakPolarHBondContact O-CB 3.35Å; V478-L482 PolarHBondContact O-N 3.36Å |
| 479 | K | 96.3 | Very high | 94.1 | Very high | 27 Ų | 27 | 33.9 Ų | 33.9 | 12% | 0.117 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.9 | -40.7 | 177.2 | -70.2 | -165.7 | -68.9 | 169.5 | 0 | 112.1 | E473 N475 H477 L482 A483 D512 V517 | E473-K479 HydrophobicContact CB-CG 4.49Å; E473-K479 VanDerWaalsContact O-CD 3.26Å; E473-K479 WeakPolarHBondContact O-CD 3.39Å; E473-K479 WeakPolarHBondContact O-CE 3.11Å; N475-K479 PolarHBondContact O-N 3.14Å; H477-K479 PolarHBondContact O-N 3.42Å; K479-L482 PolarHBondContact O-N 3.3Å; K479-A483 VanDerWaalsContact O-CB 3.3Å; K479-A483 WeakPolarHBondContact O-CB 3.48Å; K479-A483 PolarHBondContact O-N 3.02Å; K479-D512 WeakPolarHBondContact CD-OD2 3.39Å; K479-D512 WeakPolarHBondContact CE-OD2 3.31Å; K479-D512 VanDerWaalsContact NZ-CG 3.26Å; K479-D512 IonicContact NZ-OD1 2.78Å; K479-D512 PolarHBondContact NZ-OD1 3.33Å; K479-D512 IonicContact NZ-OD2 2.66Å; K479-D512 PolarHBondContact NZ-OD2 3.14Å; K479-V517 HydrophobicContact CB-CG2 3.72Å |
| 480 | S | 96 | Very high | 94.2 | Very high | 21 Ų | 21 | 30.5 Ų | 30.5 | 15% | 0.147 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.7 | -46.6 | 179.2 | -174.4 | 0 | 0 | 0 | 0 | 111.8 | T476 H477 V478 L482 A483 S484 N520 | T476-S480 VanDerWaalsContact O-CB 3.31Å; T476-S480 WeakPolarHBondContact O-CB 3.5Å; T476-S480 PolarHBondContact O-N 3.14Å; H477-S480 WeakPolarHBondContact O-CB 3.46Å; H477-S480 PolarHBondContact O-N 3.23Å; V478-S480 VanDerWaalsContact C-N 3.29Å; V478-S480 PolarHBondContact O-N 2.95Å; S480-L482 VanDerWaalsContact C-N 3.34Å; S480-L482 PolarHBondContact O-N 2.94Å; S480-A483 WeakPolarHBondContact O-CB 3.47Å; S480-A483 PolarHBondContact O-N 3.41Å; S480-S484 PolarHBondContact O-N 3.36Å; S480-S484 VanDerWaalsContact O-N 3.11Å; S480-N520 PolarHBondContact O-ND2 3.26Å; S480-N520 PolarHBondContact OG-ND2 2.94Å |
| 481 | S | 96.3 | Very high | 94 | Very high | 21 Ų | 21 | 33.7 Ų | 33.7 | 15% | 0.147 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.7 | -35.7 | 175.6 | -59.8 | 0 | 0 | 0 | 0 | 112.6 | A384 H477 V478 S484 | A384-S481 VanDerWaalsContact O-CB 3.24Å; A384-S481 WeakPolarHBondContact O-CB 3.46Å; H477-S481 PolarHBondContact O-N 2.71Å; H477-S481 PolarHBondContact O-OG 3.14Å; V478-S481 PolarHBondContact O-N 3Å; S481-S484 PolarHBondContact O-OG 3.41Å |
| 482 | L | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.7 | -45.8 | 173.1 | -177.1 | 62.3 | 0 | 0 | 0 | 111.1 | A387 V390 I467 L470 V478 K479 S480 S484 A485 I486 | A387-L482 HydrophobicContact CB-CB 4.16Å; A387-L482 HydrophobicContact CB-CD1 4.49Å; V390-L482 HydrophobicContact CG2-CD1 4.16Å; I467-L482 HydrophobicContact CG1-CD1 4.4Å; I467-L482 HydrophobicContact CG2-CD1 4.24Å; I467-L482 HydrophobicContact CG2-CD2 4.3Å; L470-L482 HydrophobicContact CB-CD2 3.81Å; V478-L482 WeakPolarHBondContact O-CB 3.35Å; V478-L482 PolarHBondContact O-N 3.36Å; K479-L482 PolarHBondContact O-N 3.3Å; S480-L482 VanDerWaalsContact C-N 3.34Å; S480-L482 PolarHBondContact O-N 2.94Å; L482-S484 VanDerWaalsContact C-N 3.26Å; L482-S484 PolarHBondContact O-N 3.35Å; L482-A485 PolarHBondContact O-N 3.09Å; L482-A485 VanDerWaalsContact O-N 3.09Å; L482-I486 HydrophobicContact CD1-CB 4.23Å; L482-I486 HydrophobicContact CD1-CD1 4.32Å; L482-I486 HydrophobicContact CG-CB 4.32Å; L482-I486 VanDerWaalsContact O-CB 3.24Å; L482-I486 WeakPolarHBondContact O-CB 3.01Å; L482-I486 VanDerWaalsContact O-CG2 3.28Å; L482-I486 WeakPolarHBondContact O-CG2 3.06Å; L482-I486 PolarHBondContact O-N 3.21Å |
| 483 | A | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.6 | -34.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | K479 S480 A485 V517 N520 V521 | K479-A483 VanDerWaalsContact O-CB 3.3Å; K479-A483 WeakPolarHBondContact O-CB 3.48Å; K479-A483 PolarHBondContact O-N 3.02Å; S480-A483 WeakPolarHBondContact O-CB 3.47Å; S480-A483 PolarHBondContact O-N 3.41Å; A483-A485 VanDerWaalsContact C-N 3.31Å; A483-A485 PolarHBondContact O-N 3.03Å; A483-V517 HydrophobicContact CB-CG1 4.01Å; A483-N520 HydrophobicContact CB-CB 3.78Å; A483-V521 HydrophobicContact CB-CG2 3.72Å |
| 484 | S | 95.1 | Very high | 94.1 | Very high | 53 Ų | 53 | 29.7 Ų | 29.7 | 37% | 0.371 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -72.6 | -21.7 | 177.7 | 65.9 | 0 | 0 | 0 | 0 | 113.8 | S480 S481 L482 | S480-S484 PolarHBondContact O-N 3.36Å; S480-S484 VanDerWaalsContact O-N 3.11Å; S481-S484 PolarHBondContact O-OG 3.41Å; L482-S484 VanDerWaalsContact C-N 3.26Å; L482-S484 PolarHBondContact O-N 3.35Å |
| 485 | A | 94.6 | Very high | 94.2 | Very high | 5 Ų | 5 | 29.1 Ų | 29.1 | 4% | 0.041 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -105.6 | -31.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V390 K391 L482 A483 L487 G488 | V390-A485 HydrophobicContact CG2-CB 3.77Å; K391-A485 HydrophobicContact CB-CB 4.41Å; L482-A485 PolarHBondContact O-N 3.09Å; L482-A485 VanDerWaalsContact O-N 3.09Å; A483-A485 VanDerWaalsContact C-N 3.31Å; A483-A485 PolarHBondContact O-N 3.03Å; A485-L487 PolarHBondContact O-N 2.77Å; A485-G488 PolarHBondContact O-N 2.66Å; A485-G488 VanDerWaalsContact O-N 3.15Å |
| 486 | I | 95 | Very high | 94 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.4 | -32.3 | -161.2 | -171.4 | 58 | 0 | 0 | 0 | 114.7 | I467 L482 G488 L489 L502 I505 F506 | I467-I486 HydrophobicContact CD1-CD1 3.78Å; I467-I486 HydrophobicContact CG1-CD1 4.35Å; I467-I486 HydrophobicContact CG2-CD1 3.45Å; I467-I486 VanDerWaalsContact CG2-CD1 3.45Å; I467-I486 HydrophobicContact CG2-CG1 4.24Å; L482-I486 HydrophobicContact CD1-CB 4.23Å; L482-I486 HydrophobicContact CD1-CD1 4.32Å; L482-I486 HydrophobicContact CG-CB 4.32Å; L482-I486 VanDerWaalsContact O-CB 3.24Å; L482-I486 WeakPolarHBondContact O-CB 3.01Å; L482-I486 VanDerWaalsContact O-CG2 3.28Å; L482-I486 WeakPolarHBondContact O-CG2 3.06Å; L482-I486 PolarHBondContact O-N 3.21Å; I486-G488 PolarHBondContact O-N 2.75Å; I486-L489 HydrophobicContact CD1-CD1 3.59Å; I486-L489 HydrophobicContact CD1-CG 4.24Å; I486-L489 WeakPolarHBondContact O-CB 3.45Å; I486-L489 PolarHBondContact O-N 2.71Å; I486-L489 VanDerWaalsContact O-N 3.12Å; I486-L502 HydrophobicContact CD1-CD2 3.88Å; I486-L502 HydrophobicContact CG1-CD2 4.27Å; I486-I505 HydrophobicContact CG1-CG2 4.41Å; I486-F506 HydrophobicContact CG1-CE1 4.04Å; I486-F506 HydrophobicContact CG2-CD1 4.33Å; I486-F506 HydrophobicContact CG2-CE1 4.04Å |
| 487 | L | 93.5 | Very high | 93.8 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -65.8 | -29 | 179.1 | -81.5 | 80.2 | 0 | 0 | 0 | 111.8 | A485 L489 A490 F506 V521 N524 L525 V528 | A485-L487 PolarHBondContact O-N 2.77Å; L487-L489 PolarHBondContact O-N 3.04Å; L487-L489 VanDerWaalsContact O-N 3.12Å; L487-A490 WeakPolarHBondContact O-CB 3.39Å; L487-A490 PolarHBondContact O-N 2.99Å; L487-F506 HydrophobicContact CB-CE1 4.46Å; L487-F506 HydrophobicContact CD1-CD1 3.86Å; L487-F506 HydrophobicContact CD1-CE1 3.76Å; L487-F506 HydrophobicContact CD1-CZ 4.49Å; L487-F506 HydrophobicContact CG-CD1 4.12Å; L487-F506 HydrophobicContact CG-CE1 3.73Å; L487-F506 HydrophobicContact CG-CZ 3.97Å; L487-V521 HydrophobicContact CD1-CB 4.29Å; L487-V521 HydrophobicContact CD1-CG1 3.81Å; L487-V521 HydrophobicContact CD1-CG2 4.22Å; L487-V521 HydrophobicContact CD2-CG1 4.29Å; L487-N524 HydrophobicContact CB-CB 4.25Å; L487-N524 HydrophobicContact CD2-CB 4.13Å; L487-N524 VanDerWaalsContact CD2-O 3.3Å; L487-N524 WeakPolarHBondContact CD2-O 3.36Å; L487-L525 HydrophobicContact CD2-CB 4.44Å; L487-L525 HydrophobicContact CD2-CD1 3.92Å; L487-V528 HydrophobicContact CB-CG2 3.93Å; L487-V528 HydrophobicContact CD2-CG2 3.77Å; L487-V528 HydrophobicContact CG-CG2 3.74Å |
| 488 | G | 92 | Very high | 93.8 | Very high | 4 Ų | 4 | 26.9 Ų | 26.9 | 4% | 0.041 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -66.9 | -7.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | A485 I486 Q527 | A485-G488 PolarHBondContact O-N 2.66Å; A485-G488 VanDerWaalsContact O-N 3.15Å; I486-G488 PolarHBondContact O-N 2.75Å; G488-Q527 VanDerWaalsContact CA-OE1 3.23Å |
| 489 | L | 93 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -80.5 | -24.2 | 170.2 | -64.1 | -170.6 | 0 | 0 | 0 | 113.2 | A394 I467 I486 L487 L492 I493 L502 | A394-L489 HydrophobicContact CB-CD2 3.44Å; A394-L489 VanDerWaalsContact CB-CD2 3.44Å; I467-L489 HydrophobicContact CD1-CD1 3.45Å; I467-L489 VanDerWaalsContact CD1-CD1 3.45Å; I486-L489 HydrophobicContact CD1-CD1 3.59Å; I486-L489 HydrophobicContact CD1-CG 4.24Å; I486-L489 WeakPolarHBondContact O-CB 3.45Å; I486-L489 PolarHBondContact O-N 2.71Å; I486-L489 VanDerWaalsContact O-N 3.12Å; L487-L489 PolarHBondContact O-N 3.04Å; L487-L489 VanDerWaalsContact O-N 3.12Å; L489-L492 HydrophobicContact CD2-CD1 4.03Å; L489-L492 WeakPolarHBondContact O-CB 3.44Å; L489-L492 PolarHBondContact O-N 2.92Å; L489-I493 PolarHBondContact O-N 2.99Å; L489-I493 VanDerWaalsContact O-N 3.08Å; L489-L502 HydrophobicContact CB-CD1 3.82Å |
| 490 | A | 94.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.8 | -44.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113 | L487 L492 G494 T498 L502 V528 I531 | L487-A490 WeakPolarHBondContact O-CB 3.39Å; L487-A490 PolarHBondContact O-N 2.99Å; A490-L492 PolarHBondContact O-N 3.02Å; A490-G494 PolarHBondContact O-N 3.24Å; A490-T498 WeakPolarHBondContact CA-OG1 3.49Å; A490-T498 HydrophobicContact CB-CG2 3.66Å; A490-T498 PolarHBondContact O-OG1 2.71Å; A490-L502 HydrophobicContact CB-CD1 4.46Å; A490-V528 HydrophobicContact CB-CG2 3.87Å; A490-I531 HydrophobicContact CB-CD1 3.72Å |
| 491 | P | 91.7 | Very high | 93.4 | Very high | 74 Ų | 74 | 35.2 Ų | 35.2 | 48% | 0.481 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63 | -23.7 | 175.2 | -18.9 | 28.8 | 0 | 0 | 0 | 113.7 | I531 | P491-I531 VanDerWaalsContact CA-CD1 3.41Å; P491-I531 HydrophobicContact CB-CD1 3.97Å; P491-I531 HydrophobicContact CG-CD1 3.7Å |
| 492 | L | 90.5 | Very high | 93.3 | Very high | 36 Ų | 36 | 34.2 Ų | 34.2 | 19% | 0.188 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -85.8 | -38.1 | -174.1 | -54.1 | -177.9 | 0 | 0 | 0 | 112.6 | A394 K395 L398 L400 L489 A490 | A394-L492 HydrophobicContact CB-CD1 3.95Å; K395-L492 HydrophobicContact CG-CD1 3.66Å; K395-L492 HydrophobicContact CG-CD2 3.93Å; K395-L492 HydrophobicContact CG-CG 4.45Å; L398-L492 HydrophobicContact CD1-CB 3.82Å; L398-L492 HydrophobicContact CD1-CD2 4.42Å; L398-L492 HydrophobicContact CD1-CG 4.5Å; L400-L492 HydrophobicContact CD1-CD2 3.8Å; L489-L492 HydrophobicContact CD2-CD1 4.03Å; L489-L492 WeakPolarHBondContact O-CB 3.44Å; L489-L492 PolarHBondContact O-N 2.92Å; A490-L492 PolarHBondContact O-N 3.02Å |
| 493 | I | 90.8 | Very high | 93.2 | Very high | 23 Ų | 23 | 34.6 Ų | 34.6 | 12% | 0.118 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -97.6 | -13 | -177.6 | 71 | 176.6 | 0 | 0 | 0 | 113 | I459 L489 L497 L502 | I459-I493 HydrophobicContact CG2-CG2 3.82Å; L489-I493 PolarHBondContact O-N 2.99Å; L489-I493 VanDerWaalsContact O-N 3.08Å; I493-L497 HydrophobicContact CB-CB 4.04Å; I493-L497 HydrophobicContact CB-CD1 4.11Å; I493-L497 HydrophobicContact CD1-CB 3.79Å; I493-L497 HydrophobicContact CG1-CB 3.9Å; I493-L502 HydrophobicContact CD1-CD1 3.46Å; I493-L502 VanDerWaalsContact CD1-CD1 3.46Å; I493-L502 HydrophobicContact CD1-CG 3.74Å; I493-L502 HydrophobicContact CG1-CD1 4.29Å |
| 494 | G | 91.3 | Very high | 93.1 | Very high | 27 Ų | 27 | 37.7 Ų | 37.7 | 28% | 0.278 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | 77.6 | 178 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | A490 T498 | A490-G494 PolarHBondContact O-N 3.24Å; G494-T498 VanDerWaalsContact O-CB 3.25Å; G494-T498 WeakPolarHBondContact O-CB 3.43Å; G494-T498 PolarHBondContact O-N 3.13Å; G494-T498 PolarHBondContact O-OG1 3.22Å |
| 495 | K | 92.5 | Very high | 93.1 | Very high | 97 Ų | 97 | 35.6 Ų | 35.6 | 42% | 0.422 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -58 | -53.8 | -167.2 | 179.2 | 171.8 | -177.8 | 163.4 | 0 | 114.6 | L497 T498 I499 I531 I532 | K495-L497 PolarHBondContact O-N 3.45Å; K495-T498 PolarHBondContact O-N 3.16Å; K495-I499 HydrophobicContact CD-CD1 4.42Å; K495-I499 HydrophobicContact CG-CD1 3.64Å; K495-I499 VanDerWaalsContact O-CG1 3.31Å; K495-I499 WeakPolarHBondContact O-CG1 3.43Å; K495-I499 PolarHBondContact O-N 2.8Å; K495-I531 HydrophobicContact CB-CG2 4.19Å; K495-I531 VanDerWaalsContact CD-O 3.28Å; K495-I531 WeakPolarHBondContact CD-O 3.48Å; K495-I531 VanDerWaalsContact CG-O 3.27Å; K495-I531 WeakPolarHBondContact CG-O 3.37Å; K495-I532 WeakPolarHBondContact CE-O 3.31Å; K495-I532 PolarHBondContact NZ-O 3.33Å; K495-I532 VanDerWaalsContact NZ-O 3.14Å |
| 496 | N | 92.1 | Very high | 93.1 | Very high | 128 Ų | 128 | 35.4 Ų | 35.4 | 68% | 0.684 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -62.5 | -48.3 | -172.4 | -65.8 | -19.2 | 0 | 0 | 0 | 111.7 | T498 I499 E500 | N496-T498 VanDerWaalsContact C-N 3.35Å; N496-I499 PolarHBondContact O-N 3.38Å; N496-E500 WeakPolarHBondContact O-CB 3.49Å; N496-E500 PolarHBondContact O-N 3.4Å |
| 497 | L | 91.1 | Very high | 93.1 | Very high | 46 Ų | 46 | 37.4 Ų | 37.4 | 24% | 0.241 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.6 | -35.1 | 179.8 | -62.6 | -179.1 | 0 | 0 | 0 | 112.2 | M460 I493 K495 E500 H501 | M460-L497 HydrophobicContact CE-CD1 4.45Å; M460-L497 HydrophobicContact CE-CD2 3.44Å; M460-L497 VanDerWaalsContact CE-CD2 3.44Å; M460-L497 HydrophobicContact CG-CD1 4.32Å; M460-L497 HydrophobicContact SD-CB 4.46Å; M460-L497 HydrophobicContact SD-CD1 3.49Å; M460-L497 WeakPolarHBondContact SD-CD1 3.23Å; M460-L497 HydrophobicContact SD-CD2 3.56Å; M460-L497 VanDerWaalsContact SD-CD2 3.56Å; M460-L497 HydrophobicContact SD-CG 4.02Å; I493-L497 HydrophobicContact CB-CB 4.04Å; I493-L497 HydrophobicContact CB-CD1 4.11Å; I493-L497 HydrophobicContact CD1-CB 3.79Å; I493-L497 HydrophobicContact CG1-CB 3.9Å; K495-L497 PolarHBondContact O-N 3.45Å; L497-E500 PolarHBondContact O-N 3.05Å; L497-H501 WeakPolarHBondContact O-CB 3.43Å; L497-H501 PolarHBondContact O-N 3.28Å |
| 498 | T | 94.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -60.7 | -46.8 | 173 | -61.6 | 0 | 0 | 0 | 0 | 110.9 | A490 G494 K495 N496 L502 L503 F506 V528 I532 | A490-T498 WeakPolarHBondContact CA-OG1 3.49Å; A490-T498 HydrophobicContact CB-CG2 3.66Å; A490-T498 PolarHBondContact O-OG1 2.71Å; G494-T498 VanDerWaalsContact O-CB 3.25Å; G494-T498 WeakPolarHBondContact O-CB 3.43Å; G494-T498 PolarHBondContact O-N 3.13Å; G494-T498 PolarHBondContact O-OG1 3.22Å; K495-T498 PolarHBondContact O-N 3.16Å; N496-T498 VanDerWaalsContact C-N 3.35Å; T498-L502 HydrophobicContact CG2-CB 4.27Å; T498-L502 HydrophobicContact CG2-CD1 4.49Å; T498-L502 CarbonylContact O-C 3.56Å; T498-L502 WeakPolarHBondContact O-CA 3.36Å; T498-L502 WeakPolarHBondContact O-CB 3.41Å; T498-L502 PolarHBondContact O-N 3.07Å; T498-L503 PolarHBondContact O-N 3.33Å; T498-F506 HydrophobicContact CG2-CE2 4.15Å; T498-V528 HydrophobicContact CG2-CG1 4.23Å; T498-I532 HydrophobicContact CG2-CG2 3.78Å |
| 499 | I | 94.2 | Very high | 93.4 | Very high | 38 Ų | 38 | 40.5 Ų | 40.5 | 20% | 0.195 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -65.9 | -43.7 | 179.2 | -67.1 | 163.2 | 0 | 0 | 0 | 111.1 | K495 N496 L503 I532 | K495-I499 HydrophobicContact CD-CD1 4.42Å; K495-I499 HydrophobicContact CG-CD1 3.64Å; K495-I499 VanDerWaalsContact O-CG1 3.31Å; K495-I499 WeakPolarHBondContact O-CG1 3.43Å; K495-I499 PolarHBondContact O-N 2.8Å; N496-I499 PolarHBondContact O-N 3.38Å; I499-L503 HydrophobicContact CG2-CD2 4.42Å; I499-I532 HydrophobicContact CG1-CB 4.28Å; I499-I532 HydrophobicContact CG1-CG2 3.97Å |
| 500 | E | 93.2 | Very high | 93.5 | Very high | 127 Ų | 127 | 40.5 Ų | 40.5 | 59% | 0.593 | 22% | 0.221 | S | C | * | . | I | π-helix | trans | -70.3 | -43.1 | -176.1 | -172.3 | 178.6 | 165.7 | 0 | 0 | 112.9 | N496 L497 | N496-E500 WeakPolarHBondContact O-CB 3.49Å; N496-E500 PolarHBondContact O-N 3.4Å; L497-E500 PolarHBondContact O-N 3.05Å |
| 501 | H | 92.3 | Very high | 93.4 | Very high | 59 Ų | 59 | 44.3 Ų | 44.3 | 27% | 0.273 | 24% | 0.241 | S | C | . | . | I | π-helix | trans | -112.5 | -40.1 | -168.6 | -61.9 | -52.8 | 0 | 0 | 0 | 114.5 | M460 L464 L497 I505 | M460-H501 VanDerWaalsContact CE-NE2 3.3Å; M460-H501 WeakPolarHBondContact CE-NE2 3.46Å; L464-H501 HydrophobicContact CD1-CB 3.94Å; L497-H501 WeakPolarHBondContact O-CB 3.43Å; L497-H501 PolarHBondContact O-N 3.28Å; H501-I505 WeakPolarHBondContact O-CD1 3.32Å; H501-I505 WeakPolarHBondContact O-CG1 3.38Å |
| 502 | L | 94.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -89.9 | -35.2 | -173.8 | -62 | -174.3 | 0 | 0 | 0 | 113.2 | L464 I486 L489 A490 I493 T498 I505 F506 | L464-L502 HydrophobicContact CD2-CD2 3.72Å; I486-L502 HydrophobicContact CD1-CD2 3.88Å; I486-L502 HydrophobicContact CG1-CD2 4.27Å; L489-L502 HydrophobicContact CB-CD1 3.82Å; A490-L502 HydrophobicContact CB-CD1 4.46Å; I493-L502 HydrophobicContact CD1-CD1 3.46Å; I493-L502 VanDerWaalsContact CD1-CD1 3.46Å; I493-L502 HydrophobicContact CD1-CG 3.74Å; I493-L502 HydrophobicContact CG1-CD1 4.29Å; T498-L502 HydrophobicContact CG2-CB 4.27Å; T498-L502 HydrophobicContact CG2-CD1 4.49Å; T498-L502 CarbonylContact O-C 3.56Å; T498-L502 WeakPolarHBondContact O-CA 3.36Å; T498-L502 WeakPolarHBondContact O-CB 3.41Å; T498-L502 PolarHBondContact O-N 3.07Å; L502-I505 HydrophobicContact CD2-CD1 4.39Å; L502-I505 CarbonylContact O-C 3.52Å; L502-I505 WeakPolarHBondContact O-CA 3.47Å; L502-I505 VanDerWaalsContact O-CB 3.3Å; L502-I505 WeakPolarHBondContact O-CB 3.27Å; L502-I505 PolarHBondContact O-N 3.33Å; L502-F506 HydrophobicContact CB-CD2 4.48Å; L502-F506 HydrophobicContact CB-CE1 4.04Å; L502-F506 HydrophobicContact CB-CE2 3.79Å; L502-F506 HydrophobicContact CB-CZ 3.55Å; L502-F506 HydrophobicContact CD1-CZ 3.99Å; L502-F506 HydrophobicContact CG-CZ 4.36Å; L502-F506 VanDerWaalsContact O-CG 3.29Å; L502-F506 WeakPolarHBondContact O-CG 3.25Å; L502-F506 PolarHBondContact O-N 3.04Å |
| 503 | L | 94.6 | Very high | 93.8 | Very high | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.2 | -43.3 | -179.2 | -177 | 62.4 | 0 | 0 | 0 | 112.8 | T498 I499 I505 F506 L507 N540 L541 | T498-L503 PolarHBondContact O-N 3.33Å; I499-L503 HydrophobicContact CG2-CD2 4.42Å; L503-I505 PolarHBondContact O-N 3.41Å; L503-F506 PolarHBondContact O-N 2.84Å; L503-L507 HydrophobicContact CD1-CG 4.47Å; L503-L507 HydrophobicContact CG-CD1 4.4Å; L503-L507 VanDerWaalsContact O-CG 3.31Å; L503-L507 WeakPolarHBondContact O-CG 3.45Å; L503-L507 PolarHBondContact O-N 3.14Å; L503-N540 HydrophobicContact CD1-CB 4.3Å; L503-N540 HydrophobicContact CD2-CB 4.04Å; L503-N540 HydrophobicContact CG-CB 4.46Å; L503-L541 HydrophobicContact CD1-CD1 4.48Å; L503-L541 HydrophobicContact CD1-CD2 3.72Å; L503-L541 HydrophobicContact CD1-CG 4.02Å |
| 504 | P | 94.9 | Very high | 93.9 | Very high | 65 Ų | 65 | 47.6 Ų | 47.6 | 42% | 0.422 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.7 | -34.7 | 172.6 | -24.4 | 35.4 | 0 | 0 | 0 | 113.5 | T508 | P504-T508 WeakPolarHBondContact O-CB 3.48Å; P504-T508 PolarHBondContact O-N 3.4Å; P504-T508 PolarHBondContact O-OG1 3.24Å |
| 505 | I | 95.4 | Very high | 94.1 | Very high | 10 Ų | 10 | 47.7 Ų | 47.7 | 5% | 0.051 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.4 | -46.9 | 178 | -64.3 | 173.4 | 0 | 0 | 0 | 110 | I467 K468 T471 I486 H501 L502 L503 L507 T508 Q509 | I467-I505 HydrophobicContact CG2-CD1 3.86Å; K468-I505 HydrophobicContact CB-CD1 4.45Å; T471-I505 HydrophobicContact CG2-CG2 3.89Å; T471-I505 WeakPolarHBondContact OG1-CG2 3.43Å; I486-I505 HydrophobicContact CG1-CG2 4.41Å; H501-I505 WeakPolarHBondContact O-CD1 3.32Å; H501-I505 WeakPolarHBondContact O-CG1 3.38Å; L502-I505 HydrophobicContact CD2-CD1 4.39Å; L502-I505 CarbonylContact O-C 3.52Å; L502-I505 WeakPolarHBondContact O-CA 3.47Å; L502-I505 VanDerWaalsContact O-CB 3.3Å; L502-I505 WeakPolarHBondContact O-CB 3.27Å; L502-I505 PolarHBondContact O-N 3.33Å; L503-I505 PolarHBondContact O-N 3.41Å; I505-L507 VanDerWaalsContact C-N 3.32Å; I505-L507 PolarHBondContact O-N 3.38Å; I505-T508 WeakPolarHBondContact O-CB 3.4Å; I505-T508 PolarHBondContact O-N 2.9Å; I505-T508 VanDerWaalsContact O-N 3.14Å; I505-Q509 WeakPolarHBondContact O-CG 3.31Å; I505-Q509 PolarHBondContact O-N 3.21Å |
| 506 | F | 94.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.9 | -45.4 | 176.3 | -57.6 | -25.6 | 0 | 0 | 0 | 111.4 | I486 L487 T498 L502 L503 T508 Q509 L510 V528 | I486-F506 HydrophobicContact CG1-CE1 4.04Å; I486-F506 HydrophobicContact CG2-CD1 4.33Å; I486-F506 HydrophobicContact CG2-CE1 4.04Å; L487-F506 HydrophobicContact CB-CE1 4.46Å; L487-F506 HydrophobicContact CD1-CD1 3.86Å; L487-F506 HydrophobicContact CD1-CE1 3.76Å; L487-F506 HydrophobicContact CD1-CZ 4.49Å; L487-F506 HydrophobicContact CG-CD1 4.12Å; L487-F506 HydrophobicContact CG-CE1 3.73Å; L487-F506 HydrophobicContact CG-CZ 3.97Å; T498-F506 HydrophobicContact CG2-CE2 4.15Å; L502-F506 HydrophobicContact CB-CD2 4.48Å; L502-F506 HydrophobicContact CB-CE1 4.04Å; L502-F506 HydrophobicContact CB-CE2 3.79Å; L502-F506 HydrophobicContact CB-CZ 3.55Å; L502-F506 HydrophobicContact CD1-CZ 3.99Å; L502-F506 HydrophobicContact CG-CZ 4.36Å; L502-F506 VanDerWaalsContact O-CG 3.29Å; L502-F506 WeakPolarHBondContact O-CG 3.25Å; L502-F506 PolarHBondContact O-N 3.04Å; L503-F506 PolarHBondContact O-N 2.84Å; F506-T508 VanDerWaalsContact C-N 3.31Å; F506-T508 PolarHBondContact O-N 2.94Å; F506-Q509 PolarHBondContact O-N 2.75Å; F506-L510 WeakPolarHBondContact O-CB 3.23Å; F506-L510 VanDerWaalsContact O-CG 3.25Å; F506-L510 WeakPolarHBondContact O-CG 3.31Å; F506-L510 PolarHBondContact O-N 3.16Å; F506-V528 HydrophobicContact CD2-CG1 4.15Å; F506-V528 HydrophobicContact CD2-CG2 4.33Å; F506-V528 HydrophobicContact CE2-CB 4.27Å; F506-V528 HydrophobicContact CE2-CG1 3.69Å; F506-V528 HydrophobicContact CE2-CG2 3.55Å; F506-V528 HydrophobicContact CZ-CG2 3.81Å |
| 507 | L | 94.8 | Very high | 94.4 | Very high | 43 Ų | 43 | 41.4 Ų | 41.4 | 23% | 0.225 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.4 | -37.8 | 177.6 | -68.3 | 173.2 | 0 | 0 | 0 | 112.5 | L503 I505 N511 N540 L541 | L503-L507 HydrophobicContact CD1-CG 4.47Å; L503-L507 HydrophobicContact CG-CD1 4.4Å; L503-L507 VanDerWaalsContact O-CG 3.31Å; L503-L507 WeakPolarHBondContact O-CG 3.45Å; L503-L507 PolarHBondContact O-N 3.14Å; I505-L507 VanDerWaalsContact C-N 3.32Å; I505-L507 PolarHBondContact O-N 3.38Å; L507-N511 PolarHBondContact O-N 3.19Å; L507-N511 PolarHBondContact O-ND2 3.14Å; L507-N540 HydrophobicContact CD1-CB 4.35Å; L507-N540 WeakPolarHBondContact CD2-O 3.44Å; L507-L541 HydrophobicContact CD2-CD2 3.88Å |
| 508 | T | 95 | Very high | 94.6 | Very high | 69 Ų | 69 | 40.9 Ų | 40.9 | 42% | 0.423 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65 | -45.4 | 175.8 | -56.2 | 0 | 0 | 0 | 0 | 110.4 | T471 P504 I505 F506 N511 D512 | T471-T508 HydrophobicContact CG2-CG2 3.99Å; P504-T508 WeakPolarHBondContact O-CB 3.48Å; P504-T508 PolarHBondContact O-N 3.4Å; P504-T508 PolarHBondContact O-OG1 3.24Å; I505-T508 WeakPolarHBondContact O-CB 3.4Å; I505-T508 PolarHBondContact O-N 2.9Å; I505-T508 VanDerWaalsContact O-N 3.14Å; F506-T508 VanDerWaalsContact C-N 3.31Å; F506-T508 PolarHBondContact O-N 2.94Å; T508-N511 CarbonylContact O-C 3.26Å; T508-N511 PolarHBondContact O-N 2.97Å; T508-D512 PolarHBondContact O-N 3.35Å |
| 509 | Q | 95.5 | Very high | 94.7 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.009 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -73.3 | -32.8 | -178.8 | -70.7 | -177.6 | -44.4 | 0 | 0 | 113.8 | T471 I505 F506 N511 D512 V517 R518 V521 | T471-Q509 HydrophobicContact CG2-CG 4.21Å; I505-Q509 WeakPolarHBondContact O-CG 3.31Å; I505-Q509 PolarHBondContact O-N 3.21Å; F506-Q509 PolarHBondContact O-N 2.75Å; Q509-N511 PolarHBondContact O-N 3.3Å; Q509-D512 VanDerWaalsContact O-CB 3.27Å; Q509-D512 WeakPolarHBondContact O-CB 3.28Å; Q509-D512 PolarHBondContact O-N 3.26Å; Q509-V517 HydrophobicContact CB-CG1 3.87Å; Q509-V517 HydrophobicContact CG-CG1 4.06Å; Q509-R518 WeakPolarHBondContact O-CG 3.5Å; Q509-V521 HydrophobicContact CB-CG2 3.63Å |
| 510 | L | 95.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.6 | -26.5 | 172.3 | -76.8 | 167 | 0 | 0 | 0 | 111.9 | F506 R518 V521 L541 A544 L548 | F506-L510 WeakPolarHBondContact O-CB 3.23Å; F506-L510 VanDerWaalsContact O-CG 3.25Å; F506-L510 WeakPolarHBondContact O-CG 3.31Å; F506-L510 PolarHBondContact O-N 3.16Å; L510-R518 VanDerWaalsContact O-CD 3.27Å; L510-R518 WeakPolarHBondContact O-CD 3.5Å; L510-R518 WeakPolarHBondContact O-CG 3.45Å; L510-V521 HydrophobicContact CD1-CG1 4.42Å; L510-V521 HydrophobicContact CD2-CB 4.15Å; L510-V521 HydrophobicContact CD2-CG1 3.64Å; L510-V521 HydrophobicContact CG-CB 4.45Å; L510-V521 HydrophobicContact CG-CG1 3.72Å; L510-L541 HydrophobicContact CD1-CD2 3.81Å; L510-A544 HydrophobicContact CB-CB 4.27Å; L510-A544 HydrophobicContact CD1-CB 4.22Å; L510-L548 HydrophobicContact CB-CD1 4.31Å; L510-L548 HydrophobicContact CD2-CD1 3.53Å |
| 511 | N | 93.8 | Very high | 94.8 | Very high | 79 Ų | 79 | 36 Ų | 36 | 42% | 0.422 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 14.5 | 177 | -66.8 | -56.8 | 0 | 0 | 0 | 113.1 | L507 T508 Q509 | L507-N511 PolarHBondContact O-N 3.19Å; L507-N511 PolarHBondContact O-ND2 3.14Å; T508-N511 CarbonylContact O-C 3.26Å; T508-N511 PolarHBondContact O-N 2.97Å; Q509-N511 PolarHBondContact O-N 3.3Å |
| 512 | D | 95.3 | Very high | 94.8 | Very high | 14 Ų | 14 | 33.3 Ų | 33.3 | 8% | 0.075 | 18% | 0.18 | C | C | . | . | trans | -68.6 | 144.3 | -177.4 | -161.9 | -82.7 | 0 | 0 | 0 | 112.3 | K479 T508 Q509 N514 V517 R518 | K479-D512 WeakPolarHBondContact CD-OD2 3.39Å; K479-D512 WeakPolarHBondContact CE-OD2 3.31Å; K479-D512 VanDerWaalsContact NZ-CG 3.26Å; K479-D512 IonicContact NZ-OD1 2.78Å; K479-D512 PolarHBondContact NZ-OD1 3.33Å; K479-D512 IonicContact NZ-OD2 2.66Å; K479-D512 PolarHBondContact NZ-OD2 3.14Å; T508-D512 PolarHBondContact O-N 3.35Å; Q509-D512 VanDerWaalsContact O-CB 3.27Å; Q509-D512 WeakPolarHBondContact O-CB 3.28Å; Q509-D512 PolarHBondContact O-N 3.26Å; D512-N514 PolarHBondContact O-N 3.27Å; D512-N514 WeakPolarHBondContact OD1-CB 3.41Å; D512-N514 PolarHBondContact OD1-N 3.16Å; D512-V517 HydrophobicContact CB-CB 3.92Å; D512-V517 HydrophobicContact CB-CG1 3.66Å; D512-R518 HydrophobicContact CB-CG 4.22Å; D512-R518 WeakPolarHBondContact O-CD 3.26Å; D512-R518 WeakPolarHBondContact O-CG 3.3Å; D512-R518 PolarHBondContact O-NE 3.37Å | ||
| 513 | D | 93.6 | Very high | 94.6 | Very high | 158 Ų | 158 | 36.8 Ų | 36.8 | 85% | 0.845 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -62.6 | -27.3 | 177.3 | -64.9 | -39.2 | 0 | 0 | 0 | 112.8 | P515 | D513-P515 WeakPolarHBondContact O-CD 3.3Š|
| 514 | N | 94.1 | Very high | 94.3 | Very high | 31 Ų | 31 | 38.7 Ų | 38.7 | 17% | 0.166 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -83.4 | 119.5 | 178.4 | -174.1 | -6.7 | 0 | 0 | 0 | 111.3 | T476 D512 E516 V517 R518 | T476-N514 WeakPolarHBondContact CB-ND2 3.25Å; T476-N514 HydrophobicContact CG2-CB 4.4Å; D512-N514 PolarHBondContact O-N 3.27Å; D512-N514 WeakPolarHBondContact OD1-CB 3.41Å; D512-N514 PolarHBondContact OD1-N 3.16Å; N514-E516 VanDerWaalsContact C-N 3.26Å; N514-E516 PolarHBondContact O-N 3.22Å; N514-E516 PolarHBondContact OD1-N 3.36Å; N514-V517 HydrophobicContact CB-CB 4.41Å; N514-V517 HydrophobicContact CB-CG2 3.88Å; N514-V517 PolarHBondContact O-N 3.19Å; N514-V517 VanDerWaalsContact O-N 3.17Å; N514-R518 PolarHBondContact O-N 3.15Å |
| 515 | P | 94.4 | Very high | 94 | Very high | 29 Ų | 29 | 35.6 Ų | 35.6 | 19% | 0.188 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.3 | -33.9 | 176.4 | -23.6 | 33.7 | 0 | 0 | 0 | 114.7 | D513 V517 R518 L519 K553 V556 | D513-P515 WeakPolarHBondContact O-CD 3.3Å; P515-V517 VanDerWaalsContact C-N 3.31Å; P515-V517 PolarHBondContact O-N 2.98Å; P515-R518 PolarHBondContact O-N 3.29Å; P515-L519 VanDerWaalsContact O-CB 3.23Å; P515-L519 WeakPolarHBondContact O-CB 3.35Å; P515-L519 PolarHBondContact O-N 3.19Å; P515-K553 HydrophobicContact CB-CB 4.26Å; P515-K553 HydrophobicContact CB-CG 3.82Å; P515-K553 HydrophobicContact CG-CD 4.3Å; P515-K553 HydrophobicContact CG-CG 3.62Å; P515-V556 HydrophobicContact CB-CG2 4.42Å |
| 516 | E | 95.1 | Very high | 93.6 | Very high | 92 Ų | 92 | 40.9 Ų | 40.9 | 43% | 0.43 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.5 | -36.4 | -179.9 | -63.9 | -60.3 | 138.7 | 0 | 0 | 111.5 | N514 N520 | N514-E516 VanDerWaalsContact C-N 3.26Å; N514-E516 PolarHBondContact O-N 3.22Å; N514-E516 PolarHBondContact OD1-N 3.36Å; E516-N520 WeakPolarHBondContact O-CB 3.49Å; E516-N520 PolarHBondContact O-N 2.97Å; E516-N520 PolarHBondContact O-ND2 3.44Å |
| 517 | V | 95.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.6 | -49.7 | 176 | 177.1 | 0 | 0 | 0 | 0 | 109.9 | K479 A483 Q509 D512 N514 P515 L519 N520 V521 | K479-V517 HydrophobicContact CB-CG2 3.72Å; A483-V517 HydrophobicContact CB-CG1 4.01Å; Q509-V517 HydrophobicContact CB-CG1 3.87Å; Q509-V517 HydrophobicContact CG-CG1 4.06Å; D512-V517 HydrophobicContact CB-CB 3.92Å; D512-V517 HydrophobicContact CB-CG1 3.66Å; N514-V517 HydrophobicContact CB-CB 4.41Å; N514-V517 HydrophobicContact CB-CG2 3.88Å; N514-V517 PolarHBondContact O-N 3.19Å; N514-V517 VanDerWaalsContact O-N 3.17Å; P515-V517 VanDerWaalsContact C-N 3.31Å; P515-V517 PolarHBondContact O-N 2.98Å; V517-L519 VanDerWaalsContact C-N 3.34Å; V517-L519 PolarHBondContact O-N 3.44Å; V517-N520 PolarHBondContact O-N 3.08Å; V517-V521 WeakPolarHBondContact O-CG2 3.34Å; V517-V521 PolarHBondContact O-N 3.09Å; V517-V521 VanDerWaalsContact O-N 3.17Å |
| 518 | R | 95.7 | Very high | 92.9 | Very high | 35 Ų | 35 | 41.8 Ų | 41.8 | 13% | 0.132 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61 | -43.9 | 178.9 | -63.5 | -175.9 | -70.6 | 162.2 | 19.6 | 111.8 | Q509 L510 D512 N514 P515 V521 I522 L548 D551 | Q509-R518 WeakPolarHBondContact O-CG 3.5Å; L510-R518 VanDerWaalsContact O-CD 3.27Å; L510-R518 WeakPolarHBondContact O-CD 3.5Å; L510-R518 WeakPolarHBondContact O-CG 3.45Å; D512-R518 HydrophobicContact CB-CG 4.22Å; D512-R518 WeakPolarHBondContact O-CD 3.26Å; D512-R518 WeakPolarHBondContact O-CG 3.3Å; D512-R518 PolarHBondContact O-NE 3.37Å; N514-R518 PolarHBondContact O-N 3.15Å; P515-R518 PolarHBondContact O-N 3.29Å; R518-V521 PolarHBondContact O-N 3.41Å; R518-I522 WeakPolarHBondContact O-CG2 3.35Å; R518-I522 PolarHBondContact O-N 2.92Å; R518-L548 HydrophobicContact CB-CD2 4.27Å; R518-L548 HydrophobicContact CG-CD2 4.44Å; R518-D551 IonicContact CZ-OD1 2.61Å; R518-D551 IonicContact CZ-OD2 2.77Å; R518-D551 IonicContact NH1-OD2 2.85Å; R518-D551 PolarHBondContact NH1-OD2 3.02Å; R518-D551 VanDerWaalsContact NH2-CG 3.25Å; R518-D551 IonicContact NH2-OD1 2.99Å; R518-D551 PolarHBondContact NH2-OD1 3.31Å; R518-D551 IonicContact NH2-OD2 3.21Å; R518-D551 PolarHBondContact NH2-OD2 3Å |
| 519 | L | 95.7 | Very high | 92.4 | Very high | 28 Ų | 28 | 38.7 Ų | 38.7 | 15% | 0.147 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.6 | -48.9 | 176.9 | -176.8 | 62.4 | 0 | 0 | 0 | 111.4 | P515 V517 V521 I522 S523 R555 V556 A559 | P515-L519 VanDerWaalsContact O-CB 3.23Å; P515-L519 WeakPolarHBondContact O-CB 3.35Å; P515-L519 PolarHBondContact O-N 3.19Å; V517-L519 VanDerWaalsContact C-N 3.34Å; V517-L519 PolarHBondContact O-N 3.44Å; L519-V521 VanDerWaalsContact C-N 3.28Å; L519-V521 PolarHBondContact O-N 3.48Å; L519-I522 HydrophobicContact CD1-CG2 4.43Å; L519-I522 VanDerWaalsContact O-CG2 3.29Å; L519-I522 WeakPolarHBondContact O-CG2 3.41Å; L519-I522 PolarHBondContact O-N 2.65Å; L519-S523 WeakPolarHBondContact O-CB 3.36Å; L519-S523 PolarHBondContact O-N 2.82Å; L519-S523 PolarHBondContact O-OG 3.1Å; L519-R555 HydrophobicContact CD2-CB 4.36Å; L519-V556 HydrophobicContact CB-CG2 4.4Å; L519-A559 HydrophobicContact CD1-CB 3.76Å |
| 520 | N | 94.4 | Very high | 91.7 | Very high | 36 Ų | 36 | 43.1 Ų | 43.1 | 19% | 0.193 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.9 | -35 | -179.5 | -76.4 | -13.7 | 0 | 0 | 0 | 113.1 | S480 A483 E516 V517 N524 | S480-N520 PolarHBondContact O-ND2 3.26Å; S480-N520 PolarHBondContact OG-ND2 2.94Å; A483-N520 HydrophobicContact CB-CB 3.78Å; E516-N520 WeakPolarHBondContact O-CB 3.49Å; E516-N520 PolarHBondContact O-N 2.97Å; E516-N520 PolarHBondContact O-ND2 3.44Å; V517-N520 PolarHBondContact O-N 3.08Å; N520-N524 PolarHBondContact O-ND2 3.36Å |
| 521 | V | 94.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.8 | -48.8 | 175.7 | 176.9 | 0 | 0 | 0 | 0 | 111.5 | A483 L487 Q509 L510 V517 R518 L519 S523 N524 L525 | A483-V521 HydrophobicContact CB-CG2 3.72Å; L487-V521 HydrophobicContact CD1-CB 4.29Å; L487-V521 HydrophobicContact CD1-CG1 3.81Å; L487-V521 HydrophobicContact CD1-CG2 4.22Å; L487-V521 HydrophobicContact CD2-CG1 4.29Å; Q509-V521 HydrophobicContact CB-CG2 3.63Å; L510-V521 HydrophobicContact CD1-CG1 4.42Å; L510-V521 HydrophobicContact CD2-CB 4.15Å; L510-V521 HydrophobicContact CD2-CG1 3.64Å; L510-V521 HydrophobicContact CG-CB 4.45Å; L510-V521 HydrophobicContact CG-CG1 3.72Å; V517-V521 WeakPolarHBondContact O-CG2 3.34Å; V517-V521 PolarHBondContact O-N 3.09Å; V517-V521 VanDerWaalsContact O-N 3.17Å; R518-V521 PolarHBondContact O-N 3.41Å; L519-V521 VanDerWaalsContact C-N 3.28Å; L519-V521 PolarHBondContact O-N 3.48Å; V521-S523 PolarHBondContact O-N 2.92Å; V521-N524 PolarHBondContact O-N 3.1Å; V521-L525 PolarHBondContact O-N 3.23Å |
| 522 | I | 92.9 | Very high | 91.2 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.4 | -38.9 | -176.1 | -171.9 | 62.1 | 0 | 0 | 0 | 112.2 | R518 L519 N524 L525 I545 A559 I560 Y563 | R518-I522 WeakPolarHBondContact O-CG2 3.35Å; R518-I522 PolarHBondContact O-N 2.92Å; L519-I522 HydrophobicContact CD1-CG2 4.43Å; L519-I522 VanDerWaalsContact O-CG2 3.29Å; L519-I522 WeakPolarHBondContact O-CG2 3.41Å; L519-I522 PolarHBondContact O-N 2.65Å; I522-N524 PolarHBondContact O-N 3.27Å; I522-N524 VanDerWaalsContact O-N 3.11Å; I522-L525 HydrophobicContact CD1-CB 4.2Å; I522-L525 HydrophobicContact CD1-CD2 3.62Å; I522-L525 WeakPolarHBondContact O-CB 3.43Å; I522-L525 PolarHBondContact O-N 3.17Å; I522-L525 VanDerWaalsContact O-N 3.11Å; I522-I545 HydrophobicContact CD1-CG1 4.42Å; I522-A559 HydrophobicContact CG2-CB 3.69Å; I522-I560 HydrophobicContact CD1-CD1 3.49Å; I522-I560 VanDerWaalsContact CD1-CD1 3.49Å; I522-I560 HydrophobicContact CG1-CD1 3.51Å; I522-I560 HydrophobicContact CG1-CG1 4.16Å; I522-Y563 HydrophobicContact CD1-CD1 4.04Å; I522-Y563 HydrophobicContact CD1-CE1 4.42Å |
| 523 | S | 90.9 | Very high | 90.9 | Very high | 73 Ų | 73 | 41.1 Ų | 41.1 | 51% | 0.51 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -20.5 | 179.5 | -61 | 0 | 0 | 0 | 0 | 113.5 | L519 V521 | L519-S523 WeakPolarHBondContact O-CB 3.36Å; L519-S523 PolarHBondContact O-N 2.82Å; L519-S523 PolarHBondContact O-OG 3.1Å; V521-S523 PolarHBondContact O-N 2.92Å |
| 524 | N | 87.3 | Confident | 90.5 | Very high | 47 Ų | 47 | 37.8 Ų | 37.8 | 25% | 0.251 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 7.2 | 179.6 | -68.8 | -61.8 | 0 | 0 | 0 | 113.4 | L487 N520 V521 I522 E526 Q527 | L487-N524 HydrophobicContact CB-CB 4.25Å; L487-N524 HydrophobicContact CD2-CB 4.13Å; L487-N524 VanDerWaalsContact CD2-O 3.3Å; L487-N524 WeakPolarHBondContact CD2-O 3.36Å; N520-N524 PolarHBondContact O-ND2 3.36Å; V521-N524 PolarHBondContact O-N 3.1Å; I522-N524 PolarHBondContact O-N 3.27Å; I522-N524 VanDerWaalsContact O-N 3.11Å; N524-E526 PolarHBondContact O-N 3.49Å; N524-Q527 PolarHBondContact O-N 2.92Å; N524-Q527 PolarHBondContact OD1-NE2 3.14Å |
| 525 | L | 90 | Very high | 90.3 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -26.8 | -169.2 | -161.9 | 64.2 | 0 | 0 | 0 | 113.5 | L487 V521 I522 Q527 V528 N529 L541 I545 Y563 | L487-L525 HydrophobicContact CD2-CB 4.44Å; L487-L525 HydrophobicContact CD2-CD1 3.92Å; V521-L525 PolarHBondContact O-N 3.23Å; I522-L525 HydrophobicContact CD1-CB 4.2Å; I522-L525 HydrophobicContact CD1-CD2 3.62Å; I522-L525 WeakPolarHBondContact O-CB 3.43Å; I522-L525 PolarHBondContact O-N 3.17Å; I522-L525 VanDerWaalsContact O-N 3.11Å; L525-Q527 PolarHBondContact O-N 3.07Å; L525-V528 PolarHBondContact O-N 3.43Å; L525-V528 VanDerWaalsContact O-N 3.12Å; L525-N529 VanDerWaalsContact O-CG 3.26Å; L525-N529 PolarHBondContact O-N 3.35Å; L525-N529 PolarHBondContact O-ND2 2.5Å; L525-N529 PolarHBondContact O-OD1 2.6Å; L525-L541 HydrophobicContact CD1-CD1 4.13Å; L525-I545 HydrophobicContact CD2-CD1 3.73Å; L525-I545 HydrophobicContact CD2-CG1 3.97Å; L525-Y563 HydrophobicContact CD2-CE1 4.01Å |
| 526 | E | 87.3 | Confident | 90.1 | Very high | 121 Ų | 121 | 43.8 Ų | 43.8 | 57% | 0.565 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -48.9 | -41.4 | 174.5 | 171.6 | 164.7 | -157.5 | 0 | 0 | 113.1 | N524 V528 N529 L566 | N524-E526 PolarHBondContact O-N 3.49Å; E526-V528 PolarHBondContact O-N 3.02Å; E526-V528 VanDerWaalsContact O-N 3.15Å; E526-N529 PolarHBondContact O-N 3.49Å; E526-L566 HydrophobicContact CB-CD2 3.72Å; E526-L566 HydrophobicContact CG-CD2 3.48Å; E526-L566 VanDerWaalsContact CG-CD2 3.48Å; E526-L566 WeakPolarHBondContact OE1-CD2 3.47Å |
| 527 | Q | 86.3 | Confident | 89.8 | Confident | 61 Ų | 61 | 39.5 Ų | 39.5 | 29% | 0.285 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61 | -27.7 | -176 | -62.4 | -179.7 | 42.2 | 0 | 0 | 113 | G488 N524 L525 I531 | G488-Q527 VanDerWaalsContact CA-OE1 3.23Å; N524-Q527 PolarHBondContact O-N 2.92Å; N524-Q527 PolarHBondContact OD1-NE2 3.14Å; L525-Q527 PolarHBondContact O-N 3.07Å; Q527-I531 WeakPolarHBondContact O-CD1 3.34Å |
| 528 | V | 88.3 | Confident | 89.5 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -94.1 | -31.2 | -175 | 178.7 | 0 | 0 | 0 | 0 | 111.7 | L487 A490 T498 F506 L525 E526 S530 I531 I532 | L487-V528 HydrophobicContact CB-CG2 3.93Å; L487-V528 HydrophobicContact CD2-CG2 3.77Å; L487-V528 HydrophobicContact CG-CG2 3.74Å; A490-V528 HydrophobicContact CB-CG2 3.87Å; T498-V528 HydrophobicContact CG2-CG1 4.23Å; F506-V528 HydrophobicContact CD2-CG1 4.15Å; F506-V528 HydrophobicContact CD2-CG2 4.33Å; F506-V528 HydrophobicContact CE2-CB 4.27Å; F506-V528 HydrophobicContact CE2-CG1 3.69Å; F506-V528 HydrophobicContact CE2-CG2 3.55Å; F506-V528 HydrophobicContact CZ-CG2 3.81Å; L525-V528 PolarHBondContact O-N 3.43Å; L525-V528 VanDerWaalsContact O-N 3.12Å; E526-V528 PolarHBondContact O-N 3.02Å; E526-V528 VanDerWaalsContact O-N 3.15Å; V528-S530 VanDerWaalsContact C-N 3.33Å; V528-S530 PolarHBondContact O-N 3.38Å; V528-I531 WeakPolarHBondContact O-CB 3.03Å; V528-I531 PolarHBondContact O-N 2.8Å; V528-I532 HydrophobicContact CG1-CD1 4.17Å; V528-I532 HydrophobicContact CG1-CG1 4.36Å; V528-I532 HydrophobicContact CG1-CG2 3.81Å; V528-I532 PolarHBondContact O-N 2.83Å; V528-I532 VanDerWaalsContact O-N 3.09Å |
| 529 | N | 83.5 | Confident | 89.3 | Confident | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.027 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.5 | -39 | -171.2 | -57.9 | -34.3 | 0 | 0 | 0 | 112.8 | L525 E526 I531 G533 L537 Y563 Q570 | L525-N529 VanDerWaalsContact O-CG 3.26Å; L525-N529 PolarHBondContact O-N 3.35Å; L525-N529 PolarHBondContact O-ND2 2.5Å; L525-N529 PolarHBondContact O-OD1 2.6Å; E526-N529 PolarHBondContact O-N 3.49Å; N529-I531 PolarHBondContact O-N 3.29Å; N529-G533 PolarHBondContact O-N 2.69Å; N529-L537 WeakPolarHBondContact OD1-CD1 3.25Å; N529-Y563 VanDerWaalsContact CG-OH 3.31Å; N529-Y563 WeakPolarHBondContact ND2-CE2 3.23Å; N529-Y563 VanDerWaalsContact ND2-CZ 3.32Å; N529-Y563 PolarHBondContact ND2-OH 2.77Å; N529-Q570 VanDerWaalsContact CB-OE1 3.24Å |
| 530 | S | 81.2 | Confident | 89.1 | Confident | 95 Ų | 95 | 46.5 Ų | 46.5 | 66% | 0.664 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -65.8 | -20.3 | 176.8 | 59 | 0 | 0 | 0 | 0 | 112.8 | V528 | V528-S530 VanDerWaalsContact C-N 3.33Å; V528-S530 PolarHBondContact O-N 3.38Å |
| 531 | I | 89.2 | Confident | 89 | Confident | 30 Ų | 30 | 44.8 Ų | 44.8 | 15% | 0.154 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -95.2 | -48.7 | -172.3 | -59.6 | 175.2 | 0 | 0 | 0 | 111.4 | A490 P491 K495 Q527 V528 N529 G533 | A490-I531 HydrophobicContact CB-CD1 3.72Å; P491-I531 VanDerWaalsContact CA-CD1 3.41Å; P491-I531 HydrophobicContact CB-CD1 3.97Å; P491-I531 HydrophobicContact CG-CD1 3.7Å; K495-I531 HydrophobicContact CB-CG2 4.19Å; K495-I531 VanDerWaalsContact CD-O 3.28Å; K495-I531 WeakPolarHBondContact CD-O 3.48Å; K495-I531 VanDerWaalsContact CG-O 3.27Å; K495-I531 WeakPolarHBondContact CG-O 3.37Å; Q527-I531 WeakPolarHBondContact O-CD1 3.34Å; V528-I531 WeakPolarHBondContact O-CB 3.03Å; V528-I531 PolarHBondContact O-N 2.8Å; N529-I531 PolarHBondContact O-N 3.29Å; I531-G533 VanDerWaalsContact C-N 3.35Å |
| 532 | I | 90.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -76.7 | -26.1 | -177.1 | 65.8 | 173.9 | 0 | 0 | 0 | 112.1 | K495 T498 I499 V528 H536 L541 | K495-I532 WeakPolarHBondContact CE-O 3.31Å; K495-I532 PolarHBondContact NZ-O 3.33Å; K495-I532 VanDerWaalsContact NZ-O 3.14Å; T498-I532 HydrophobicContact CG2-CG2 3.78Å; I499-I532 HydrophobicContact CG1-CB 4.28Å; I499-I532 HydrophobicContact CG1-CG2 3.97Å; V528-I532 HydrophobicContact CG1-CD1 4.17Å; V528-I532 HydrophobicContact CG1-CG1 4.36Å; V528-I532 HydrophobicContact CG1-CG2 3.81Å; V528-I532 PolarHBondContact O-N 2.83Å; V528-I532 VanDerWaalsContact O-N 3.09Å; I532-H536 HydrophobicContact CB-CB 4.06Å; I532-H536 HydrophobicContact CD1-CB 4.02Å; I532-H536 HydrophobicContact CG1-CB 4.17Å; I532-L541 HydrophobicContact CD1-CD1 3.61Å; I532-L541 HydrophobicContact CD1-CG 4.36Å |
| 533 | G | 87.9 | Confident | 88.9 | Confident | 21 Ų | 21 | 48.5 Ų | 48.5 | 22% | 0.216 | 27% | 0.273 | C | S | . | . | trans | 80.9 | 169.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | N529 I531 D535 H536 L537 | N529-G533 PolarHBondContact O-N 2.69Å; I531-G533 VanDerWaalsContact C-N 3.35Å; G533-D535 PolarHBondContact O-N 2.83Å; G533-H536 PolarHBondContact O-N 2.71Å; G533-L537 PolarHBondContact O-N 3.12Å; G533-L537 VanDerWaalsContact O-N 3.12Å | ||
| 534 | I | 86 | Confident | 89.1 | Confident | 87 Ų | 87 | 45.3 Ų | 45.3 | 45% | 0.446 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.2 | -41.6 | -168.5 | -56.7 | 165.2 | 0 | 0 | 0 | 111.9 | H536 L537 T538 Q570 L571 | I534-H536 VanDerWaalsContact C-N 3.34Å; I534-H536 PolarHBondContact O-N 2.85Å; I534-L537 WeakPolarHBondContact O-CB 3.15Å; I534-L537 PolarHBondContact O-N 3.26Å; I534-L537 VanDerWaalsContact O-N 3.16Å; I534-T538 PolarHBondContact O-N 2.97Å; I534-T538 PolarHBondContact O-OG1 2.82Å; I534-T538 VanDerWaalsContact O-OG1 3.08Å; I534-Q570 VanDerWaalsContact CD1-O 3.22Å; I534-Q570 WeakPolarHBondContact CD1-O 3.5Å; I534-L571 HydrophobicContact CG2-CD2 4.27Å |
| 535 | D | 89.3 | Confident | 89.3 | Confident | 125 Ų | 125 | 43 Ų | 43 | 67% | 0.668 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -57.2 | -46.4 | -178.2 | -60.1 | -34.8 | 0 | 0 | 0 | 112.1 | G533 I539 | G533-D535 PolarHBondContact O-N 2.83Å; D535-I539 WeakPolarHBondContact O-CB 3.24Å; D535-I539 WeakPolarHBondContact O-CD1 3.34Å; D535-I539 VanDerWaalsContact O-CG1 3.25Å; D535-I539 WeakPolarHBondContact O-CG1 3.41Å; D535-I539 PolarHBondContact O-N 2.77Å; D535-I539 VanDerWaalsContact O-N 3.1Å |
| 536 | H | 89.7 | Confident | 89.5 | Confident | 62 Ų | 62 | 45.9 Ų | 45.9 | 29% | 0.287 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -73.2 | -35.4 | 178.6 | -76.1 | -76.7 | 0 | 0 | 0 | 112.4 | I532 G533 I534 N540 | I532-H536 HydrophobicContact CB-CB 4.06Å; I532-H536 HydrophobicContact CD1-CB 4.02Å; I532-H536 HydrophobicContact CG1-CB 4.17Å; G533-H536 PolarHBondContact O-N 2.71Å; I534-H536 VanDerWaalsContact C-N 3.34Å; I534-H536 PolarHBondContact O-N 2.85Å; H536-N540 PolarHBondContact ND1-ND2 3.1Å; H536-N540 VanDerWaalsContact O-CB 3.29Å; H536-N540 WeakPolarHBondContact O-CB 3.48Å; H536-N540 PolarHBondContact O-N 3.2Å; H536-N540 PolarHBondContact O-ND2 2.99Å |
| 537 | L | 88.9 | Confident | 89.8 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -57.7 | -51.6 | 173.5 | 176.4 | 64 | 0 | 0 | 0 | 110.7 | N529 G533 I534 L541 L542 I545 L567 Q570 L571 | N529-L537 WeakPolarHBondContact OD1-CD1 3.25Å; G533-L537 PolarHBondContact O-N 3.12Å; G533-L537 VanDerWaalsContact O-N 3.12Å; I534-L537 WeakPolarHBondContact O-CB 3.15Å; I534-L537 PolarHBondContact O-N 3.26Å; I534-L537 VanDerWaalsContact O-N 3.16Å; L537-L541 HydrophobicContact CD1-CB 4.06Å; L537-L541 HydrophobicContact CD1-CD1 3.99Å; L537-L541 PolarHBondContact O-N 2.74Å; L537-L541 VanDerWaalsContact O-N 3.11Å; L537-L542 PolarHBondContact O-N 3.09Å; L537-I545 HydrophobicContact CD1-CD1 4.4Å; L537-L567 HydrophobicContact CD1-CD1 4.19Å; L537-L567 HydrophobicContact CD2-CD1 3.87Å; L537-L567 HydrophobicContact CG-CD1 4.23Å; L537-Q570 HydrophobicContact CD2-CB 4.41Å; L537-L571 HydrophobicContact CD2-CD2 4.27Å |
| 538 | T | 89.9 | Confident | 90.2 | Very high | 39 Ų | 39 | 43.4 Ų | 43.4 | 24% | 0.239 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -67.5 | -40.7 | -178.1 | -54.2 | 0 | 0 | 0 | 0 | 112.7 | I534 L542 L571 F575 | I534-T538 PolarHBondContact O-N 2.97Å; I534-T538 PolarHBondContact O-OG1 2.82Å; I534-T538 VanDerWaalsContact O-OG1 3.08Å; T538-L542 HydrophobicContact CG2-CD2 4.08Å; T538-L542 WeakPolarHBondContact O-CB 3.38Å; T538-L571 VanDerWaalsContact OG1-CD2 3.25Å; T538-L571 WeakPolarHBondContact OG1-CD2 3.19Å; T538-F575 HydrophobicContact CG2-CE2 3.74Å; T538-F575 HydrophobicContact CG2-CZ 3.66Å |
| 539 | I | 92.3 | Very high | 90.6 | Very high | 121 Ų | 121 | 43.4 Ų | 43.4 | 62% | 0.621 | 24% | 0.242 | S | C | * | . | I | π-helix | trans | -77.6 | -42.1 | -176 | -66.4 | 168.7 | 0 | 0 | 0 | 111.8 | D535 | D535-I539 WeakPolarHBondContact O-CB 3.24Å; D535-I539 WeakPolarHBondContact O-CD1 3.34Å; D535-I539 VanDerWaalsContact O-CG1 3.25Å; D535-I539 WeakPolarHBondContact O-CG1 3.41Å; D535-I539 PolarHBondContact O-N 2.77Å; D535-I539 VanDerWaalsContact O-N 3.1Å |
| 540 | N | 91.4 | Very high | 91.1 | Very high | 50 Ų | 50 | 50 Ų | 50 | 27% | 0.267 | 27% | 0.272 | S | S | . | . | I | π-helix | trans | -102.3 | -49.6 | -167.4 | -55.9 | -77.8 | 0 | 0 | 0 | 112.3 | L503 L507 H536 | L503-N540 HydrophobicContact CD1-CB 4.3Å; L503-N540 HydrophobicContact CD2-CB 4.04Å; L503-N540 HydrophobicContact CG-CB 4.46Å; L507-N540 HydrophobicContact CD1-CB 4.35Å; L507-N540 WeakPolarHBondContact CD2-O 3.44Å; H536-N540 PolarHBondContact ND1-ND2 3.1Å; H536-N540 VanDerWaalsContact O-CB 3.29Å; H536-N540 WeakPolarHBondContact O-CB 3.48Å; H536-N540 PolarHBondContact O-N 3.2Å; H536-N540 PolarHBondContact O-ND2 2.99Å |
| 541 | L | 91.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | I | π-helix | trans | -89.6 | -37 | -170.6 | -64.7 | 179.2 | 0 | 0 | 0 | 112.8 | L503 L507 L510 L525 I532 L537 A544 I545 | L503-L541 HydrophobicContact CD1-CD1 4.48Å; L503-L541 HydrophobicContact CD1-CD2 3.72Å; L503-L541 HydrophobicContact CD1-CG 4.02Å; L507-L541 HydrophobicContact CD2-CD2 3.88Å; L510-L541 HydrophobicContact CD1-CD2 3.81Å; L525-L541 HydrophobicContact CD1-CD1 4.13Å; I532-L541 HydrophobicContact CD1-CD1 3.61Å; I532-L541 HydrophobicContact CD1-CG 4.36Å; L537-L541 HydrophobicContact CD1-CB 4.06Å; L537-L541 HydrophobicContact CD1-CD1 3.99Å; L537-L541 PolarHBondContact O-N 2.74Å; L537-L541 VanDerWaalsContact O-N 3.11Å; L541-A544 WeakPolarHBondContact O-CB 3.34Å; L541-A544 PolarHBondContact O-N 3.08Å; L541-I545 HydrophobicContact CB-CD1 4.2Å; L541-I545 WeakPolarHBondContact O-CG1 3.47Å; L541-I545 PolarHBondContact O-N 3.25Å |
| 542 | L | 92.2 | Very high | 92.1 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.8 | -42.6 | -175.9 | -177.1 | 67.2 | 0 | 0 | 0 | 113.8 | L537 T538 A544 I545 I546 L567 L571 F575 L580 | L537-L542 PolarHBondContact O-N 3.09Å; T538-L542 HydrophobicContact CG2-CD2 4.08Å; T538-L542 WeakPolarHBondContact O-CB 3.38Å; L542-A544 VanDerWaalsContact C-N 3.28Å; L542-A544 PolarHBondContact O-N 3.04Å; L542-I545 PolarHBondContact O-N 2.74Å; L542-I546 HydrophobicContact CD1-CD1 4.12Å; L542-I546 HydrophobicContact CD1-CG1 4.16Å; L542-I546 HydrophobicContact CD2-CD1 4.43Å; L542-I546 HydrophobicContact CG-CD1 3.87Å; L542-I546 HydrophobicContact CG-CG1 4.34Å; L542-I546 WeakPolarHBondContact O-CG1 3.32Å; L542-I546 PolarHBondContact O-N 3.17Å; L542-L567 HydrophobicContact CD1-CD2 4.21Å; L542-L571 HydrophobicContact CD1-CD1 4.19Å; L542-F575 HydrophobicContact CD2-CE1 3.46Å; L542-F575 VanDerWaalsContact CD2-CE1 3.46Å; L542-F575 HydrophobicContact CD2-CZ 3.41Å; L542-F575 VanDerWaalsContact CD2-CZ 3.41Å; L542-L580 HydrophobicContact CD1-CD1 4.37Å; L542-L580 HydrophobicContact CD1-CD2 4.33Å |
| 543 | P | 93.7 | Very high | 92.4 | Very high | 75 Ų | 75 | 55.4 Ų | 55.4 | 49% | 0.487 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58 | -41 | 175.1 | -25.4 | 35.8 | 0 | 0 | 0 | 112.8 | I546 Q547 | P543-I546 PolarHBondContact O-N 2.94Å; P543-Q547 PolarHBondContact O-N 3.39Å; P543-Q547 VanDerWaalsContact O-N 3.09Å |
| 544 | A | 94 | Very high | 92.8 | Very high | 5 Ų | 5 | 58.5 Ų | 58.5 | 4% | 0.041 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.9 | -41.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L510 L541 L542 I546 Q547 L548 | L510-A544 HydrophobicContact CB-CB 4.27Å; L510-A544 HydrophobicContact CD1-CB 4.22Å; L541-A544 WeakPolarHBondContact O-CB 3.34Å; L541-A544 PolarHBondContact O-N 3.08Å; L542-A544 VanDerWaalsContact C-N 3.28Å; L542-A544 PolarHBondContact O-N 3.04Å; A544-I546 VanDerWaalsContact C-N 3.34Å; A544-I546 PolarHBondContact O-N 3.25Å; A544-Q547 PolarHBondContact O-N 2.78Å; A544-L548 VanDerWaalsContact O-CG 3.29Å; A544-L548 WeakPolarHBondContact O-CG 3.45Å; A544-L548 PolarHBondContact O-N 3.16Å |
| 545 | I | 92.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.3 | -45.6 | 175.4 | -67 | 163.2 | 0 | 0 | 0 | 110.7 | I522 L525 L537 L541 L542 Q547 L548 A549 I560 Y563 L567 | I522-I545 HydrophobicContact CD1-CG1 4.42Å; L525-I545 HydrophobicContact CD2-CD1 3.73Å; L525-I545 HydrophobicContact CD2-CG1 3.97Å; L537-I545 HydrophobicContact CD1-CD1 4.4Å; L541-I545 HydrophobicContact CB-CD1 4.2Å; L541-I545 WeakPolarHBondContact O-CG1 3.47Å; L541-I545 PolarHBondContact O-N 3.25Å; L542-I545 PolarHBondContact O-N 2.74Å; I545-Q547 VanDerWaalsContact C-N 3.34Å; I545-Q547 PolarHBondContact O-N 2.63Å; I545-L548 PolarHBondContact O-N 3.32Å; I545-A549 PolarHBondContact O-N 3.03Å; I545-I560 HydrophobicContact CB-CD1 4.49Å; I545-I560 HydrophobicContact CG2-CD1 3.86Å; I545-I560 HydrophobicContact CG2-CG2 4.35Å; I545-Y563 HydrophobicContact CD1-CE1 4.08Å; I545-L567 HydrophobicContact CD1-CD1 4.49Å; I545-L567 HydrophobicContact CD1-CD2 4.29Å; I545-L567 HydrophobicContact CG2-CD2 3.94Å |
| 546 | I | 94.2 | Very high | 93.7 | Very high | 59 Ų | 59 | 55.2 Ų | 55.2 | 30% | 0.303 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 178.8 | -68.6 | 169.4 | 0 | 0 | 0 | 110.5 | L542 P543 A544 L548 A549 L580 | L542-I546 HydrophobicContact CD1-CD1 4.12Å; L542-I546 HydrophobicContact CD1-CG1 4.16Å; L542-I546 HydrophobicContact CD2-CD1 4.43Å; L542-I546 HydrophobicContact CG-CD1 3.87Å; L542-I546 HydrophobicContact CG-CG1 4.34Å; L542-I546 WeakPolarHBondContact O-CG1 3.32Å; L542-I546 PolarHBondContact O-N 3.17Å; P543-I546 PolarHBondContact O-N 2.94Å; A544-I546 VanDerWaalsContact C-N 3.34Å; A544-I546 PolarHBondContact O-N 3.25Å; I546-L548 VanDerWaalsContact C-N 3.34Å; I546-L548 PolarHBondContact O-N 3.31Å; I546-A549 VanDerWaalsContact O-CB 3.31Å; I546-A549 WeakPolarHBondContact O-CB 3.37Å; I546-A549 PolarHBondContact O-N 2.68Å; I546-L580 HydrophobicContact CD1-CD2 4.19Å; I546-L580 HydrophobicContact CG1-CD2 4.05Å |
| 547 | Q | 94.2 | Very high | 94 | Very high | 126 Ų | 126 | 53.9 Ų | 53.9 | 59% | 0.589 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -61.9 | -40.8 | 175.6 | -175.8 | -179.8 | -10 | 0 | 0 | 112.2 | P543 A544 I545 A549 E550 | P543-Q547 PolarHBondContact O-N 3.39Å; P543-Q547 VanDerWaalsContact O-N 3.09Å; A544-Q547 PolarHBondContact O-N 2.78Å; I545-Q547 VanDerWaalsContact C-N 3.34Å; I545-Q547 PolarHBondContact O-N 2.63Å; Q547-A549 VanDerWaalsContact C-N 3.3Å; Q547-A549 PolarHBondContact O-N 2.89Å; Q547-E550 PolarHBondContact O-N 2.57Å |
| 548 | L | 95.1 | Very high | 94.4 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71.1 | -23.5 | 177.9 | -69.3 | 172.9 | 0 | 0 | 0 | 113.5 | L510 R518 A544 I545 I546 E550 D551 V556 I560 | L510-L548 HydrophobicContact CB-CD1 4.31Å; L510-L548 HydrophobicContact CD2-CD1 3.53Å; R518-L548 HydrophobicContact CB-CD2 4.27Å; R518-L548 HydrophobicContact CG-CD2 4.44Å; A544-L548 VanDerWaalsContact O-CG 3.29Å; A544-L548 WeakPolarHBondContact O-CG 3.45Å; A544-L548 PolarHBondContact O-N 3.16Å; I545-L548 PolarHBondContact O-N 3.32Å; I546-L548 VanDerWaalsContact C-N 3.34Å; I546-L548 PolarHBondContact O-N 3.31Å; L548-E550 PolarHBondContact O-N 3.28Å; L548-D551 VanDerWaalsContact O-CB 3.22Å; L548-D551 WeakPolarHBondContact O-CB 3.31Å; L548-D551 PolarHBondContact O-N 3.21Å; L548-V556 HydrophobicContact CB-CG1 4.13Å; L548-V556 HydrophobicContact CD2-CG1 3.91Å; L548-I560 HydrophobicContact CB-CD1 3.81Å; L548-I560 HydrophobicContact CB-CG1 4.1Å |
| 549 | A | 95.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -20.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I545 I546 Q547 R557 I560 L583 W587 | I545-A549 PolarHBondContact O-N 3.03Å; I546-A549 VanDerWaalsContact O-CB 3.31Å; I546-A549 WeakPolarHBondContact O-CB 3.37Å; I546-A549 PolarHBondContact O-N 2.68Å; Q547-A549 VanDerWaalsContact C-N 3.3Å; Q547-A549 PolarHBondContact O-N 2.89Å; A549-R557 VanDerWaalsContact O-CD 3.25Å; A549-R557 WeakPolarHBondContact O-CD 3.36Å; A549-R557 WeakPolarHBondContact O-CG 3.14Å; A549-I560 HydrophobicContact CB-CG2 3.91Å; A549-L583 HydrophobicContact CB-CD1 3.76Å; A549-L583 HydrophobicContact CB-CD2 3.7Å; A549-L583 HydrophobicContact CB-CG 4.13Å; A549-W587 HydrophobicContact CB-CZ2 4.02Å; A549-W587 PolarHBondContact O-NE1 2.89Å |
| 550 | E | 94.8 | Very high | 94.9 | Very high | 143 Ų | 143 | 48.3 Ų | 48.3 | 67% | 0.668 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | 14.3 | 176.5 | -60.8 | -175.4 | 171.8 | 0 | 0 | 112.4 | Q547 L548 | Q547-E550 PolarHBondContact O-N 2.57Å; L548-E550 PolarHBondContact O-N 3.28Å |
| 551 | D | 96.3 | Very high | 95.2 | Very high | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.027 | 22% | 0.224 | C | C | . | . | trans | -57.9 | 140.3 | -174.3 | -165.4 | -97.7 | 0 | 0 | 0 | 112.8 | R518 L548 K553 V556 R557 | R518-D551 IonicContact CZ-OD1 2.61Å; R518-D551 IonicContact CZ-OD2 2.77Å; R518-D551 IonicContact NH1-OD2 2.85Å; R518-D551 PolarHBondContact NH1-OD2 3.02Å; R518-D551 VanDerWaalsContact NH2-CG 3.25Å; R518-D551 IonicContact NH2-OD1 2.99Å; R518-D551 PolarHBondContact NH2-OD1 3.31Å; R518-D551 IonicContact NH2-OD2 3.21Å; R518-D551 PolarHBondContact NH2-OD2 3Å; L548-D551 VanDerWaalsContact O-CB 3.22Å; L548-D551 WeakPolarHBondContact O-CB 3.31Å; L548-D551 PolarHBondContact O-N 3.21Å; D551-K553 PolarHBondContact O-N 3.3Å; D551-K553 VanDerWaalsContact O-N 3.16Å; D551-K553 WeakPolarHBondContact OD1-CA 3.47Å; D551-K553 VanDerWaalsContact OD1-CB 3.27Å; D551-K553 WeakPolarHBondContact OD1-CB 3.48Å; D551-K553 PolarHBondContact OD1-N 3.21Å; D551-V556 HydrophobicContact CB-CB 3.88Å; D551-V556 HydrophobicContact CB-CG1 3.76Å; D551-R557 HydrophobicContact CB-CG 4.19Å; D551-R557 VanDerWaalsContact O-CD 3.3Å; D551-R557 WeakPolarHBondContact O-CD 3.35Å; D551-R557 VanDerWaalsContact O-CG 3.32Å; D551-R557 WeakPolarHBondContact O-CG 3.44Å; D551-R557 PolarHBondContact O-NH1 3.17Å | ||
| 552 | P | 94.9 | Very high | 95.4 | Very high | 113 Ų | 113 | 52.4 Ų | 52.4 | 73% | 0.734 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -58.6 | -28.7 | 176.7 | -25.9 | 34.9 | 0 | 0 | 0 | 113.9 | ||
| 553 | K | 95.7 | Very high | 95.5 | Very high | 121 Ų | 121 | 53 Ų | 53 | 53% | 0.526 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -89.4 | 110.3 | 178.7 | -61.7 | -71.5 | -175.2 | 156.8 | 0 | 109.5 | P515 D551 R555 V556 R557 | P515-K553 HydrophobicContact CB-CB 4.26Å; P515-K553 HydrophobicContact CB-CG 3.82Å; P515-K553 HydrophobicContact CG-CD 4.3Å; P515-K553 HydrophobicContact CG-CG 3.62Å; D551-K553 PolarHBondContact O-N 3.3Å; D551-K553 VanDerWaalsContact O-N 3.16Å; D551-K553 WeakPolarHBondContact OD1-CA 3.47Å; D551-K553 VanDerWaalsContact OD1-CB 3.27Å; D551-K553 WeakPolarHBondContact OD1-CB 3.48Å; D551-K553 PolarHBondContact OD1-N 3.21Å; K553-R555 PolarHBondContact O-N 3.13Å; K553-R555 VanDerWaalsContact O-N 3.08Å; K553-V556 HydrophobicContact CB-CG2 4.19Å; K553-V556 WeakPolarHBondContact O-CB 3.14Å; K553-V556 PolarHBondContact O-N 3.3Å; K553-R557 PolarHBondContact O-N 3.08Å |
| 554 | W | 96.5 | Very high | 95.5 | Very high | 85 Ų | 85 | 49.4 Ų | 49.4 | 32% | 0.322 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -55 | -32.7 | -177.5 | 71.9 | -93.5 | 0 | 0 | 0 | 113.8 | V556 R557 L558 V592 A594 I595 | W554-V556 VanDerWaalsContact C-N 3.25Å; W554-V556 PolarHBondContact O-N 3.1Å; W554-R557 PolarHBondContact O-N 2.94Å; W554-R557 VanDerWaalsContact O-N 3.12Å; W554-L558 HydrophobicContact CE3-CB 4.44Å; W554-L558 HydrophobicContact CE3-CD2 4.44Å; W554-L558 HydrophobicContact CZ3-CD2 3.82Å; W554-L558 PolarHBondContact O-N 3.02Å; W554-V592 HydrophobicContact CB-CB 4.32Å; W554-V592 HydrophobicContact CB-CG1 4.23Å; W554-V592 HydrophobicContact CB-CG2 3.91Å; W554-V592 HydrophobicContact CD2-CG1 4.24Å; W554-V592 HydrophobicContact CE3-CG1 4.44Å; W554-V592 HydrophobicContact CG-CG1 4.16Å; W554-V592 HydrophobicContact CG-CG2 4.3Å; W554-A594 HydrophobicContact CE3-CB 4.48Å; W554-A594 HydrophobicContact CZ3-CB 4.11Å; W554-I595 HydrophobicContact CB-CD1 4.26Å; W554-I595 HydrophobicContact CB-CG1 4.07Å; W554-I595 HydrophobicContact CE3-CD1 4.25Å; W554-I595 WeakPolarHBondContact O-CD1 3.44Å |
| 555 | R | 97.4 | Very high | 95.5 | Very high | 143 Ų | 143 | 49.7 Ų | 49.7 | 54% | 0.54 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.1 | -34.7 | 176.3 | -68.6 | -169.4 | 178.1 | 94.5 | 2.5 | 113.2 | L519 K553 L558 A559 | L519-R555 HydrophobicContact CD2-CB 4.36Å; K553-R555 PolarHBondContact O-N 3.13Å; K553-R555 VanDerWaalsContact O-N 3.08Å; R555-L558 PolarHBondContact O-N 2.95Å; R555-A559 PolarHBondContact O-N 3.49Å; R555-A559 VanDerWaalsContact O-N 3.14Å |
| 556 | V | 96.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.5 | -45.8 | 175 | 178.4 | 0 | 0 | 0 | 0 | 109.9 | P515 L519 L548 D551 K553 W554 L558 A559 I560 | P515-V556 HydrophobicContact CB-CG2 4.42Å; L519-V556 HydrophobicContact CB-CG2 4.4Å; L548-V556 HydrophobicContact CB-CG1 4.13Å; L548-V556 HydrophobicContact CD2-CG1 3.91Å; D551-V556 HydrophobicContact CB-CB 3.88Å; D551-V556 HydrophobicContact CB-CG1 3.76Å; K553-V556 HydrophobicContact CB-CG2 4.19Å; K553-V556 WeakPolarHBondContact O-CB 3.14Å; K553-V556 PolarHBondContact O-N 3.3Å; W554-V556 VanDerWaalsContact C-N 3.25Å; W554-V556 PolarHBondContact O-N 3.1Å; V556-L558 VanDerWaalsContact C-N 3.31Å; V556-L558 PolarHBondContact O-N 3.38Å; V556-A559 PolarHBondContact O-N 3.3Å; V556-I560 WeakPolarHBondContact O-CG1 3.5Å; V556-I560 PolarHBondContact O-N 2.94Å; V556-I560 VanDerWaalsContact O-N 3.16Å |
| 557 | R | 97.4 | Very high | 95.3 | Very high | 33 Ų | 33 | 48.9 Ų | 48.9 | 13% | 0.125 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.7 | -42.9 | 174.6 | -58.7 | -160.4 | -63.7 | -108.5 | 6.1 | 111.8 | A549 D551 K553 W554 A559 I560 I561 D590 I595 | A549-R557 VanDerWaalsContact O-CD 3.25Å; A549-R557 WeakPolarHBondContact O-CD 3.36Å; A549-R557 WeakPolarHBondContact O-CG 3.14Å; D551-R557 HydrophobicContact CB-CG 4.19Å; D551-R557 VanDerWaalsContact O-CD 3.3Å; D551-R557 WeakPolarHBondContact O-CD 3.35Å; D551-R557 VanDerWaalsContact O-CG 3.32Å; D551-R557 WeakPolarHBondContact O-CG 3.44Å; D551-R557 PolarHBondContact O-NH1 3.17Å; K553-R557 PolarHBondContact O-N 3.08Å; W554-R557 PolarHBondContact O-N 2.94Å; W554-R557 VanDerWaalsContact O-N 3.12Å; R557-A559 PolarHBondContact O-N 2.71Å; R557-I560 WeakPolarHBondContact O-CB 3.42Å; R557-I560 PolarHBondContact O-N 2.92Å; R557-I561 VanDerWaalsContact O-CG1 3.26Å; R557-I561 WeakPolarHBondContact O-CG1 3.39Å; R557-I561 PolarHBondContact O-N 3.44Å; R557-D590 IonicContact CZ-OD1 3.06Å; R557-D590 IonicContact CZ-OD2 2.78Å; R557-D590 IonicContact NE-OD2 3.1Å; R557-D590 PolarHBondContact NE-OD2 3.19Å; R557-D590 IonicContact NH2-OD1 3.82Å; R557-D590 PolarHBondContact NH2-OD1 2.93Å; R557-D590 IonicContact NH2-OD2 2.74Å; R557-D590 PolarHBondContact NH2-OD2 3.04Å; R557-I595 HydrophobicContact CB-CD1 4Å |
| 558 | L | 97.7 | Very high | 95.2 | Very high | 36 Ų | 36 | 42.9 Ų | 42.9 | 19% | 0.188 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58 | -47.5 | 177.7 | -179.9 | 61 | 0 | 0 | 0 | 111.5 | W554 R555 V556 I560 I561 E562 I595 A598 | W554-L558 HydrophobicContact CE3-CB 4.44Å; W554-L558 HydrophobicContact CE3-CD2 4.44Å; W554-L558 HydrophobicContact CZ3-CD2 3.82Å; W554-L558 PolarHBondContact O-N 3.02Å; R555-L558 PolarHBondContact O-N 2.95Å; V556-L558 VanDerWaalsContact C-N 3.31Å; V556-L558 PolarHBondContact O-N 3.38Å; L558-I560 VanDerWaalsContact C-N 3.28Å; L558-I560 PolarHBondContact O-N 3.49Å; L558-I561 WeakPolarHBondContact O-CB 3.14Å; L558-I561 PolarHBondContact O-N 3.2Å; L558-E562 HydrophobicContact CD1-CG 4.37Å; L558-E562 WeakPolarHBondContact O-CG 3.16Å; L558-E562 PolarHBondContact O-N 3.26Å; L558-I595 HydrophobicContact CB-CD1 3.77Å; L558-A598 HydrophobicContact CD1-CB 3.31Å |
| 559 | A | 96.4 | Very high | 95 | Very high | 9 Ų | 9 | 48 Ų | 48 | 7% | 0.074 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.9 | -37.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L519 I522 R555 V556 R557 Y563 | L519-A559 HydrophobicContact CD1-CB 3.76Å; I522-A559 HydrophobicContact CG2-CB 3.69Å; R555-A559 PolarHBondContact O-N 3.49Å; R555-A559 VanDerWaalsContact O-N 3.14Å; V556-A559 PolarHBondContact O-N 3.3Å; R557-A559 PolarHBondContact O-N 2.71Å; A559-Y563 VanDerWaalsContact O-CB 3.25Å; A559-Y563 WeakPolarHBondContact O-CB 3.42Å; A559-Y563 PolarHBondContact O-N 2.93Å |
| 560 | I | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.8 | -42.7 | 173.6 | -61.8 | -79.7 | 0 | 0 | 0 | 111 | I522 I545 L548 A549 V556 R557 L558 Y563 M564 W587 | I522-I560 HydrophobicContact CD1-CD1 3.49Å; I522-I560 VanDerWaalsContact CD1-CD1 3.49Å; I522-I560 HydrophobicContact CG1-CD1 3.51Å; I522-I560 HydrophobicContact CG1-CG1 4.16Å; I545-I560 HydrophobicContact CB-CD1 4.49Å; I545-I560 HydrophobicContact CG2-CD1 3.86Å; I545-I560 HydrophobicContact CG2-CG2 4.35Å; L548-I560 HydrophobicContact CB-CD1 3.81Å; L548-I560 HydrophobicContact CB-CG1 4.1Å; A549-I560 HydrophobicContact CB-CG2 3.91Å; V556-I560 WeakPolarHBondContact O-CG1 3.5Å; V556-I560 PolarHBondContact O-N 2.94Å; V556-I560 VanDerWaalsContact O-N 3.16Å; R557-I560 WeakPolarHBondContact O-CB 3.42Å; R557-I560 PolarHBondContact O-N 2.92Å; L558-I560 VanDerWaalsContact C-N 3.28Å; L558-I560 PolarHBondContact O-N 3.49Å; I560-Y563 PolarHBondContact O-N 3.44Å; I560-M564 HydrophobicContact CG2-CE 4.3Å; I560-M564 WeakPolarHBondContact O-CB 3.35Å; I560-M564 PolarHBondContact O-N 3.3Å; I560-W587 HydrophobicContact CG2-CH2 4.16Å; I560-W587 HydrophobicContact CG2-CZ2 3.84Å |
| 561 | I | 97.4 | Very high | 94.4 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63 | -43.2 | 179.9 | -67.4 | 167.8 | 0 | 0 | 0 | 111.2 | R557 L558 Y563 M564 W587 I595 A598 N602 | R557-I561 VanDerWaalsContact O-CG1 3.26Å; R557-I561 WeakPolarHBondContact O-CG1 3.39Å; R557-I561 PolarHBondContact O-N 3.44Å; L558-I561 WeakPolarHBondContact O-CB 3.14Å; L558-I561 PolarHBondContact O-N 3.2Å; I561-Y563 VanDerWaalsContact C-N 3.34Å; I561-M564 PolarHBondContact O-N 3.28Å; I561-W587 HydrophobicContact CB-CE3 4.4Å; I561-W587 HydrophobicContact CB-CZ3 4.27Å; I561-W587 HydrophobicContact CD1-CB 4.17Å; I561-W587 HydrophobicContact CD1-CD2 3.88Å; I561-W587 HydrophobicContact CD1-CE3 4.19Å; I561-W587 HydrophobicContact CD1-CG 3.89Å; I561-W587 HydrophobicContact CG1-CD2 3.52Å; I561-W587 HydrophobicContact CG1-CE3 3.53Å; I561-W587 HydrophobicContact CG1-CG 4.08Å; I561-W587 HydrophobicContact CG1-CH2 3.88Å; I561-W587 HydrophobicContact CG1-CZ2 3.9Å; I561-W587 HydrophobicContact CG1-CZ3 3.72Å; I561-W587 HydrophobicContact CG2-CE3 4.36Å; I561-W587 HydrophobicContact CG2-CZ3 4.37Å; I561-I595 HydrophobicContact CD1-CD1 4.12Å; I561-I595 HydrophobicContact CD1-CG2 3.56Å; I561-A598 HydrophobicContact CG2-CB 3.85Å; I561-A598 WeakPolarHBondContact CG2-O 3.38Å; I561-N602 HydrophobicContact CG2-CB 3.7Å; I561-N602 PolarHBondContact O-ND2 3.28Å |
| 562 | E | 95.4 | Very high | 94.1 | Very high | 134 Ų | 134 | 45.4 Ų | 45.4 | 63% | 0.626 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -67.3 | -36.6 | 177.9 | -70 | 174.4 | 169.1 | 0 | 0 | 111.8 | L558 P565 | L558-E562 HydrophobicContact CD1-CG 4.37Å; L558-E562 WeakPolarHBondContact O-CG 3.16Å; L558-E562 PolarHBondContact O-N 3.26Å; E562-P565 VanDerWaalsContact O-CD 3.26Å; E562-P565 WeakPolarHBondContact O-CD 3.3Å |
| 563 | Y | 93.4 | Very high | 94 | Very high | 18 Ų | 18 | 43.4 Ų | 43.4 | 7% | 0.071 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -75.8 | -26.1 | 177.8 | 171.4 | -114.7 | 0 | 0 | 0 | 113.8 | I522 L525 N529 I545 A559 I560 I561 P565 L566 L567 | I522-Y563 HydrophobicContact CD1-CD1 4.04Å; I522-Y563 HydrophobicContact CD1-CE1 4.42Å; L525-Y563 HydrophobicContact CD2-CE1 4.01Å; N529-Y563 VanDerWaalsContact CG-OH 3.31Å; N529-Y563 WeakPolarHBondContact ND2-CE2 3.23Å; N529-Y563 VanDerWaalsContact ND2-CZ 3.32Å; N529-Y563 PolarHBondContact ND2-OH 2.77Å; I545-Y563 HydrophobicContact CD1-CE1 4.08Å; A559-Y563 VanDerWaalsContact O-CB 3.25Å; A559-Y563 WeakPolarHBondContact O-CB 3.42Å; A559-Y563 PolarHBondContact O-N 2.93Å; I560-Y563 PolarHBondContact O-N 3.44Å; I561-Y563 VanDerWaalsContact C-N 3.34Å; Y563-P565 VanDerWaalsContact C-CD 3.42Å; Y563-L566 HydrophobicContact CD2-CD2 4.29Å; Y563-L566 HydrophobicContact CE2-CD2 3.99Å; Y563-L566 PolarHBondContact O-N 3.02Å; Y563-L566 VanDerWaalsContact O-N 3.13Å; Y563-L567 HydrophobicContact CD1-CB 4.37Å; Y563-L567 HydrophobicContact CE1-CB 3.84Å; Y563-L567 HydrophobicContact CE1-CD1 4.24Å; Y563-L567 HydrophobicContact CE1-CD2 4.01Å; Y563-L567 HydrophobicContact CE1-CG 4.24Å; Y563-L567 PolarHBondContact O-N 3.38Å |
| 564 | M | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.1 | -38.8 | -172.7 | -175.4 | 58.6 | 68.7 | 0 | 0 | 115.8 | I560 I561 L566 L567 A568 F576 L580 L583 W587 | I560-M564 HydrophobicContact CG2-CE 4.3Å; I560-M564 WeakPolarHBondContact O-CB 3.35Å; I560-M564 PolarHBondContact O-N 3.3Å; I561-M564 PolarHBondContact O-N 3.28Å; M564-L566 VanDerWaalsContact C-N 3.28Å; M564-L566 PolarHBondContact O-N 3.48Å; M564-L567 HydrophobicContact CE-CD2 4.19Å; M564-L567 PolarHBondContact O-N 2.51Å; M564-L567 HydrophobicContact SD-CB 4.46Å; M564-L567 HydrophobicContact SD-CD2 4.05Å; M564-A568 WeakPolarHBondContact O-CB 3.34Å; M564-A568 PolarHBondContact O-N 3.27Å; M564-F576 HydrophobicContact CG-CE2 4.26Å; M564-F576 HydrophobicContact SD-CE2 3.94Å; M564-L580 HydrophobicContact CE-CD2 4.5Å; M564-L580 HydrophobicContact SD-CD1 4.02Å; M564-L583 HydrophobicContact CE-CD2 4.21Å; M564-W587 HydrophobicContact CB-CH2 3.99Å; M564-W587 HydrophobicContact CB-CZ3 4.21Å; M564-W587 HydrophobicContact CE-CH2 3.55Å; M564-W587 HydrophobicContact CE-CZ2 4.2Å; M564-W587 HydrophobicContact CG-CH2 3.94Å; M564-W587 HydrophobicContact CG-CZ3 4.08Å |
| 565 | P | 93.1 | Very high | 93.4 | Very high | 11 Ų | 11 | 43.7 Ų | 43.7 | 7% | 0.071 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.2 | -34.4 | 178.6 | -22.8 | 35.9 | 0 | 0 | 0 | 113.4 | E562 Y563 E569 N602 N605 L606 K609 | E562-P565 VanDerWaalsContact O-CD 3.26Å; E562-P565 WeakPolarHBondContact O-CD 3.3Å; Y563-P565 VanDerWaalsContact C-CD 3.42Å; P565-E569 PolarHBondContact O-N 3.08Å; P565-N602 VanDerWaalsContact CD-ND2 3.3Å; P565-N602 WeakPolarHBondContact CD-ND2 3.48Å; P565-N602 WeakPolarHBondContact CG-ND2 3.47Å; P565-N605 HydrophobicContact CB-CB 4.36Å; P565-N605 HydrophobicContact CG-CB 4.09Å; P565-L606 HydrophobicContact CB-CD2 4.42Å; P565-K609 HydrophobicContact CB-CD 4.4Å |
| 566 | L | 90.3 | Very high | 93.3 | Very high | 41 Ų | 41 | 36.9 Ų | 36.9 | 22% | 0.215 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -72.4 | -43.4 | 175.5 | -179.1 | 69.5 | 0 | 0 | 0 | 110.7 | E526 Y563 M564 A568 E569 Q570 | E526-L566 HydrophobicContact CB-CD2 3.72Å; E526-L566 HydrophobicContact CG-CD2 3.48Å; E526-L566 VanDerWaalsContact CG-CD2 3.48Å; E526-L566 WeakPolarHBondContact OE1-CD2 3.47Å; Y563-L566 HydrophobicContact CD2-CD2 4.29Å; Y563-L566 HydrophobicContact CE2-CD2 3.99Å; Y563-L566 PolarHBondContact O-N 3.02Å; Y563-L566 VanDerWaalsContact O-N 3.13Å; M564-L566 VanDerWaalsContact C-N 3.28Å; M564-L566 PolarHBondContact O-N 3.48Å; L566-A568 VanDerWaalsContact C-N 3.32Å; L566-A568 PolarHBondContact O-N 2.84Å; L566-E569 PolarHBondContact O-N 2.93Å; L566-Q570 WeakPolarHBondContact O-CG 3.42Å; L566-Q570 PolarHBondContact O-N 2.86Å; L566-Q570 VanDerWaalsContact O-N 3.1Å |
| 567 | L | 92.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.9 | -42.8 | 176.2 | -178.9 | 62.3 | 0 | 0 | 0 | 111.8 | L537 L542 I545 Y563 M564 E569 Q570 L571 L580 | L537-L567 HydrophobicContact CD1-CD1 4.19Å; L537-L567 HydrophobicContact CD2-CD1 3.87Å; L537-L567 HydrophobicContact CG-CD1 4.23Å; L542-L567 HydrophobicContact CD1-CD2 4.21Å; I545-L567 HydrophobicContact CD1-CD1 4.49Å; I545-L567 HydrophobicContact CD1-CD2 4.29Å; I545-L567 HydrophobicContact CG2-CD2 3.94Å; Y563-L567 HydrophobicContact CD1-CB 4.37Å; Y563-L567 HydrophobicContact CE1-CB 3.84Å; Y563-L567 HydrophobicContact CE1-CD1 4.24Å; Y563-L567 HydrophobicContact CE1-CD2 4.01Å; Y563-L567 HydrophobicContact CE1-CG 4.24Å; Y563-L567 PolarHBondContact O-N 3.38Å; M564-L567 HydrophobicContact CE-CD2 4.19Å; M564-L567 PolarHBondContact O-N 2.51Å; M564-L567 HydrophobicContact SD-CB 4.46Å; M564-L567 HydrophobicContact SD-CD2 4.05Å; L567-E569 VanDerWaalsContact C-N 3.33Å; L567-E569 PolarHBondContact O-N 3.14Å; L567-Q570 PolarHBondContact O-N 3.06Å; L567-L571 HydrophobicContact CD1-CD1 3.71Å; L567-L571 HydrophobicContact CD1-CG 3.99Å; L567-L571 HydrophobicContact CD2-CD1 4.38Å; L567-L571 HydrophobicContact CG-CD1 3.72Å; L567-L571 HydrophobicContact CG-CG 4.35Å; L567-L571 WeakPolarHBondContact O-CB 3.37Å; L567-L571 WeakPolarHBondContact O-CG 3.41Å; L567-L571 PolarHBondContact O-N 3.05Å; L567-L580 HydrophobicContact CD2-CD1 4.29Å |
| 568 | A | 93.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.5 | -40.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | M564 L566 G572 F576 L606 F610 | M564-A568 WeakPolarHBondContact O-CB 3.34Å; M564-A568 PolarHBondContact O-N 3.27Å; L566-A568 VanDerWaalsContact C-N 3.32Å; L566-A568 PolarHBondContact O-N 2.84Å; A568-G572 PolarHBondContact O-N 3.26Å; A568-G572 VanDerWaalsContact O-N 3.17Å; A568-F576 HydrophobicContact CB-CD2 3.32Å; A568-F576 HydrophobicContact CB-CE2 3.56Å; A568-F576 HydrophobicContact CB-CG 3.9Å; A568-F576 HydrophobicContact CB-CZ 4.3Å; A568-L606 HydrophobicContact CB-CD2 3.65Å; A568-F610 HydrophobicContact CB-CE2 4.03Å; A568-F610 HydrophobicContact CB-CZ 3.89Å |
| 569 | E | 89.6 | Confident | 92.5 | Very high | 112 Ų | 112 | 45.8 Ų | 45.8 | 52% | 0.523 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.7 | -42.4 | 176.1 | 179.7 | 170.4 | -168.8 | 0 | 0 | 111.8 | P565 L566 L567 K609 | P565-E569 PolarHBondContact O-N 3.08Å; L566-E569 PolarHBondContact O-N 2.93Å; L567-E569 VanDerWaalsContact C-N 3.33Å; L567-E569 PolarHBondContact O-N 3.14Å; E569-K609 IonicContact OE2-NZ 3.68Å; E569-K609 PolarHBondContact OE2-NZ 3.21Å |
| 570 | Q | 87.9 | Confident | 92.4 | Very high | 47 Ų | 47 | 45.3 Ų | 45.3 | 22% | 0.22 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71.6 | -40.4 | -178.2 | -70.2 | 175.4 | -9.6 | 0 | 0 | 113.2 | N529 I534 L537 L566 L567 G572 | N529-Q570 VanDerWaalsContact CB-OE1 3.24Å; I534-Q570 VanDerWaalsContact CD1-O 3.22Å; I534-Q570 WeakPolarHBondContact CD1-O 3.5Å; L537-Q570 HydrophobicContact CD2-CB 4.41Å; L566-Q570 WeakPolarHBondContact O-CG 3.42Å; L566-Q570 PolarHBondContact O-N 2.86Å; L566-Q570 VanDerWaalsContact O-N 3.1Å; L567-Q570 PolarHBondContact O-N 3.06Å; Q570-G572 VanDerWaalsContact C-N 3.29Å |
| 571 | L | 90.7 | Very high | 92.3 | Very high | 18 Ų | 18 | 45.7 Ų | 45.7 | 9% | 0.094 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -74.6 | -22.8 | 179.1 | -67.8 | 172.3 | 0 | 0 | 0 | 112.7 | I534 L537 T538 L542 L567 F575 L580 | I534-L571 HydrophobicContact CG2-CD2 4.27Å; L537-L571 HydrophobicContact CD2-CD2 4.27Å; T538-L571 VanDerWaalsContact OG1-CD2 3.25Å; T538-L571 WeakPolarHBondContact OG1-CD2 3.19Å; L542-L571 HydrophobicContact CD1-CD1 4.19Å; L567-L571 HydrophobicContact CD1-CD1 3.71Å; L567-L571 HydrophobicContact CD1-CG 3.99Å; L567-L571 HydrophobicContact CD2-CD1 4.38Å; L567-L571 HydrophobicContact CG-CD1 3.72Å; L567-L571 HydrophobicContact CG-CG 4.35Å; L567-L571 WeakPolarHBondContact O-CB 3.37Å; L567-L571 WeakPolarHBondContact O-CG 3.41Å; L567-L571 PolarHBondContact O-N 3.05Å; L571-F575 HydrophobicContact CB-CB 4.38Å; L571-F575 HydrophobicContact CB-CD1 3.87Å; L571-F575 HydrophobicContact CB-CG 4.35Å; L571-F575 HydrophobicContact CD1-CD1 3.81Å; L571-F575 HydrophobicContact CD1-CE1 3.85Å; L571-F575 HydrophobicContact CD2-CD1 4.25Å; L571-F575 HydrophobicContact CD2-CE1 4.27Å; L571-F575 HydrophobicContact CG-CD1 4.21Å; L571-F575 HydrophobicContact CG-CE1 4.49Å; L571-L580 HydrophobicContact CD1-CD1 3.65Å |
| 572 | G | 90.3 | Very high | 92.2 | Very high | 29 Ų | 29 | 51.8 Ų | 51.8 | 30% | 0.299 | 26% | 0.262 | S | S | . | . | trans | 84.2 | 156.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A568 Q570 E574 F575 F576 | A568-G572 PolarHBondContact O-N 3.26Å; A568-G572 VanDerWaalsContact O-N 3.17Å; Q570-G572 VanDerWaalsContact C-N 3.29Å; G572-E574 PolarHBondContact O-N 2.81Å; G572-F575 PolarHBondContact O-N 3.48Å; G572-F576 WeakPolarHBondContact O-CB 3.37Å; G572-F576 PolarHBondContact O-N 3.27Å | ||
| 573 | L | 91.3 | Very high | 92.2 | Very high | 71 Ų | 71 | 46.2 Ų | 46.2 | 37% | 0.372 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.6 | -43.6 | -169 | -171.8 | 62.8 | 0 | 0 | 0 | 113.7 | F576 N577 F610 W614 | L573-F576 PolarHBondContact O-N 3.24Å; L573-N577 WeakPolarHBondContact O-CB 3.38Å; L573-N577 PolarHBondContact O-N 2.92Å; L573-N577 PolarHBondContact O-ND2 2.86Å; L573-N577 PolarHBondContact O-OD1 3.29Å; L573-F610 HydrophobicContact CD1-CB 4.04Å; L573-F610 HydrophobicContact CD1-CD1 3.69Å; L573-F610 HydrophobicContact CD1-CD2 3.73Å; L573-F610 HydrophobicContact CD1-CE1 3.99Å; L573-F610 HydrophobicContact CD1-CE2 4.01Å; L573-F610 HydrophobicContact CD1-CG 3.55Å; L573-F610 HydrophobicContact CD1-CZ 4.13Å; L573-W614 HydrophobicContact CD1-CD2 4.46Å; L573-W614 HydrophobicContact CD1-CG 4.38Å; L573-W614 HydrophobicContact CD1-CZ2 4.41Å |
| 574 | E | 90.6 | Very high | 92.4 | Very high | 154 Ų | 154 | 45.3 Ų | 45.3 | 72% | 0.72 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -63.2 | -46.2 | -178 | -175.9 | 178 | 179.8 | 0 | 0 | 111.5 | G572 N577 N578 | G572-E574 PolarHBondContact O-N 2.81Å; E574-N577 PolarHBondContact O-N 3.36Å; E574-N578 VanDerWaalsContact O-CG 3.3Å; E574-N578 PolarHBondContact O-N 2.93Å; E574-N578 PolarHBondContact O-ND2 2.91Å; E574-N578 VanDerWaalsContact O-ND2 3.15Å |
| 575 | F | 90.6 | Very high | 92.4 | Very high | 59 Ų | 59 | 45.9 Ų | 45.9 | 26% | 0.259 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.6 | -46.3 | 177.8 | -172 | -81.5 | 0 | 0 | 0 | 111.2 | T538 L542 L571 G572 N577 N578 Q579 | T538-F575 HydrophobicContact CG2-CE2 3.74Å; T538-F575 HydrophobicContact CG2-CZ 3.66Å; L542-F575 HydrophobicContact CD2-CE1 3.46Å; L542-F575 VanDerWaalsContact CD2-CE1 3.46Å; L542-F575 HydrophobicContact CD2-CZ 3.41Å; L542-F575 VanDerWaalsContact CD2-CZ 3.41Å; L571-F575 HydrophobicContact CB-CB 4.38Å; L571-F575 HydrophobicContact CB-CD1 3.87Å; L571-F575 HydrophobicContact CB-CG 4.35Å; L571-F575 HydrophobicContact CD1-CD1 3.81Å; L571-F575 HydrophobicContact CD1-CE1 3.85Å; L571-F575 HydrophobicContact CD2-CD1 4.25Å; L571-F575 HydrophobicContact CD2-CE1 4.27Å; L571-F575 HydrophobicContact CG-CD1 4.21Å; L571-F575 HydrophobicContact CG-CE1 4.49Å; G572-F575 PolarHBondContact O-N 3.48Å; F575-N577 VanDerWaalsContact C-N 3.32Å; F575-N577 PolarHBondContact O-N 3.23Å; F575-N578 PolarHBondContact O-N 3.01Å; F575-Q579 HydrophobicContact CD1-CB 4.39Å; F575-Q579 HydrophobicContact CD1-CG 4.46Å; F575-Q579 HydrophobicContact CE1-CB 3.95Å; F575-Q579 HydrophobicContact CE1-CG 4Å; F575-Q579 HydrophobicContact CE2-CG 4.29Å; F575-Q579 HydrophobicContact CZ-CB 4.32Å; F575-Q579 HydrophobicContact CZ-CG 3.91Å; F575-Q579 PolarHBondContact O-N 3.19Å; F575-Q579 VanDerWaalsContact O-N 3.09Å |
| 576 | F | 93.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.8 | -46.1 | 178.8 | -179.5 | -97.5 | 0 | 0 | 0 | 111.9 | M564 A568 G572 L573 N578 Q579 L580 V581 L606 F610 W614 | M564-F576 HydrophobicContact CG-CE2 4.26Å; M564-F576 HydrophobicContact SD-CE2 3.94Å; A568-F576 HydrophobicContact CB-CD2 3.32Å; A568-F576 HydrophobicContact CB-CE2 3.56Å; A568-F576 HydrophobicContact CB-CG 3.9Å; A568-F576 HydrophobicContact CB-CZ 4.3Å; G572-F576 WeakPolarHBondContact O-CB 3.37Å; G572-F576 PolarHBondContact O-N 3.27Å; L573-F576 PolarHBondContact O-N 3.24Å; F576-N578 VanDerWaalsContact C-N 3.29Å; F576-N578 PolarHBondContact O-N 3.35Å; F576-Q579 PolarHBondContact O-N 2.98Å; F576-L580 HydrophobicContact CD2-CB 3.64Å; F576-L580 HydrophobicContact CD2-CD1 3.95Å; F576-L580 HydrophobicContact CD2-CG 4.4Å; F576-L580 HydrophobicContact CE2-CB 3.68Å; F576-L580 HydrophobicContact CE2-CD1 4.4Å; F576-L580 HydrophobicContact CG-CB 4.42Å; F576-L580 HydrophobicContact CZ-CB 4.49Å; F576-L580 PolarHBondContact O-N 3.26Å; F576-V581 HydrophobicContact CD1-CG2 3.77Å; F576-V581 HydrophobicContact CE1-CG2 3.51Å; F576-V581 HydrophobicContact CZ-CG2 4.35Å; F576-V581 PolarHBondContact O-N 2.64Å; F576-L606 HydrophobicContact CE1-CD1 4.27Å; F576-L606 HydrophobicContact CE1-CD2 4.46Å; F576-L606 HydrophobicContact CE2-CD1 4.49Å; F576-L606 HydrophobicContact CE2-CD2 4.38Å; F576-L606 HydrophobicContact CZ-CD1 3.65Å; F576-L606 HydrophobicContact CZ-CD2 4.02Å; F576-L606 HydrophobicContact CZ-CG 4.49Å; F576-F610 HydrophobicContact CD1-CE2 4.04Å; F576-F610 HydrophobicContact CE1-CE2 4.3Å; F576-F610 HydrophobicContact CG-CE2 4.47Å; F576-W614 HydrophobicContact CD1-CH2 4.43Å; F576-W614 AromaticContact CD1-CZ2 3.9Å; F576-W614 HydrophobicContact CD1-CZ2 3.9Å; F576-W614 AromaticContact CE1-CH2 3.83Å; F576-W614 HydrophobicContact CE1-CH2 3.83Å; F576-W614 AromaticContact CE1-CZ2 3.69Å; F576-W614 HydrophobicContact CE1-CZ2 3.69Å |
| 577 | N | 92.9 | Very high | 92.9 | Very high | 25 Ų | 25 | 46 Ų | 46 | 13% | 0.134 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.1 | -39.2 | 179.1 | -69.1 | -18.4 | 0 | 0 | 0 | 112.8 | L573 E574 F575 W614 Y618 | L573-N577 WeakPolarHBondContact O-CB 3.38Å; L573-N577 PolarHBondContact O-N 2.92Å; L573-N577 PolarHBondContact O-ND2 2.86Å; L573-N577 PolarHBondContact O-OD1 3.29Å; E574-N577 PolarHBondContact O-N 3.36Å; F575-N577 VanDerWaalsContact C-N 3.32Å; F575-N577 PolarHBondContact O-N 3.23Å; N577-W614 PolarHBondContact OD1-NE1 3.27Å; N577-Y618 HydrophobicContact CB-CE1 3.91Å; N577-Y618 PolarHBondContact ND2-OH 2.87Å |
| 578 | N | 92.1 | Very high | 93.1 | Very high | 113 Ų | 113 | 46 Ų | 46 | 60% | 0.604 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -78.9 | -30.1 | -175.5 | -68.8 | -25.9 | 0 | 0 | 0 | 113.3 | E574 F575 F576 | E574-N578 VanDerWaalsContact O-CG 3.3Å; E574-N578 PolarHBondContact O-N 2.93Å; E574-N578 PolarHBondContact O-ND2 2.91Å; E574-N578 VanDerWaalsContact O-ND2 3.15Å; F575-N578 PolarHBondContact O-N 3.01Å; F576-N578 VanDerWaalsContact C-N 3.29Å; F576-N578 PolarHBondContact O-N 3.35Å |
| 579 | Q | 89.7 | Confident | 93.3 | Very high | 118 Ų | 118 | 49.6 Ų | 49.6 | 55% | 0.551 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -120.5 | -25.2 | -166.4 | -64.4 | -77.1 | 69.5 | 0 | 0 | 114.8 | F575 F576 | F575-Q579 HydrophobicContact CD1-CB 4.39Å; F575-Q579 HydrophobicContact CD1-CG 4.46Å; F575-Q579 HydrophobicContact CE1-CB 3.95Å; F575-Q579 HydrophobicContact CE1-CG 4Å; F575-Q579 HydrophobicContact CE2-CG 4.29Å; F575-Q579 HydrophobicContact CZ-CB 4.32Å; F575-Q579 HydrophobicContact CZ-CG 3.91Å; F575-Q579 PolarHBondContact O-N 3.19Å; F575-Q579 VanDerWaalsContact O-N 3.09Å; F576-Q579 PolarHBondContact O-N 2.98Å |
| 580 | L | 94.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.6 | -15.5 | -166.2 | -62.8 | 177.9 | 0 | 0 | 0 | 114.8 | L542 I546 M564 L567 L571 F576 D582 L583 C584 | L542-L580 HydrophobicContact CD1-CD1 4.37Å; L542-L580 HydrophobicContact CD1-CD2 4.33Å; I546-L580 HydrophobicContact CD1-CD2 4.19Å; I546-L580 HydrophobicContact CG1-CD2 4.05Å; M564-L580 HydrophobicContact CE-CD2 4.5Å; M564-L580 HydrophobicContact SD-CD1 4.02Å; L567-L580 HydrophobicContact CD2-CD1 4.29Å; L571-L580 HydrophobicContact CD1-CD1 3.65Å; F576-L580 HydrophobicContact CD2-CB 3.64Å; F576-L580 HydrophobicContact CD2-CD1 3.95Å; F576-L580 HydrophobicContact CD2-CG 4.4Å; F576-L580 HydrophobicContact CE2-CB 3.68Å; F576-L580 HydrophobicContact CE2-CD1 4.4Å; F576-L580 HydrophobicContact CG-CB 4.42Å; F576-L580 HydrophobicContact CZ-CB 4.49Å; F576-L580 PolarHBondContact O-N 3.26Å; L580-D582 PolarHBondContact O-N 3.26Å; L580-L583 HydrophobicContact CD2-CD2 4.04Å; L580-L583 WeakPolarHBondContact O-CB 3.29Å; L580-L583 PolarHBondContact O-N 3.01Å; L580-C584 PolarHBondContact O-N 3.36Å; L580-C584 PolarHBondContact O-SG 3.29Å |
| 581 | V | 95.4 | Very high | 94 | Very high | 7 Ų | 7 | 50.5 Ų | 50.5 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.1 | -46.8 | 176.7 | 162.3 | 0 | 0 | 0 | 0 | 111.7 | F576 L583 C584 L585 W614 Y618 F619 | F576-V581 HydrophobicContact CD1-CG2 3.77Å; F576-V581 HydrophobicContact CE1-CG2 3.51Å; F576-V581 HydrophobicContact CZ-CG2 4.35Å; F576-V581 PolarHBondContact O-N 2.64Å; V581-L583 VanDerWaalsContact C-N 3.26Å; V581-L583 PolarHBondContact O-N 3.46Å; V581-C584 PolarHBondContact O-N 3.37Å; V581-C584 VanDerWaalsContact O-N 3.16Å; V581-L585 HydrophobicContact CG1-CD1 3.75Å; V581-L585 HydrophobicContact CG1-CG 4.44Å; V581-L585 WeakPolarHBondContact O-CG 3.49Å; V581-L585 PolarHBondContact O-N 2.92Å; V581-W614 HydrophobicContact CG2-CZ2 4.26Å; V581-Y618 HydrophobicContact CG1-CD1 4.23Å; V581-Y618 HydrophobicContact CG2-CD1 4.37Å; V581-F619 HydrophobicContact CG1-CD1 4.45Å; V581-F619 HydrophobicContact CG1-CE1 4.12Å; V581-F619 HydrophobicContact CG2-CE1 4.36Å |
| 582 | D | 94.8 | Very high | 94.3 | Very high | 130 Ų | 130 | 51.8 Ų | 51.8 | 70% | 0.695 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -64.2 | -34.2 | 180 | -75.4 | -31 | 0 | 0 | 0 | 112.1 | L580 L585 S586 | L580-D582 PolarHBondContact O-N 3.26Å; D582-L585 PolarHBondContact O-N 3.45Å; D582-S586 PolarHBondContact O-N 3.01Å |
| 583 | L | 95.6 | Very high | 94.5 | Very high | 17 Ų | 17 | 56.4 Ų | 56.4 | 9% | 0.089 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.9 | -45.6 | 173.3 | -179.2 | 63.3 | 0 | 0 | 0 | 111.3 | A549 M564 L580 V581 L585 S586 W587 | A549-L583 HydrophobicContact CB-CD1 3.76Å; A549-L583 HydrophobicContact CB-CD2 3.7Å; A549-L583 HydrophobicContact CB-CG 4.13Å; M564-L583 HydrophobicContact CE-CD2 4.21Å; L580-L583 HydrophobicContact CD2-CD2 4.04Å; L580-L583 WeakPolarHBondContact O-CB 3.29Å; L580-L583 PolarHBondContact O-N 3.01Å; V581-L583 VanDerWaalsContact C-N 3.26Å; V581-L583 PolarHBondContact O-N 3.46Å; L583-L585 VanDerWaalsContact C-N 3.27Å; L583-L585 PolarHBondContact O-N 2.98Å; L583-S586 PolarHBondContact O-N 2.87Å; L583-S586 PolarHBondContact O-OG 3.3Å; L583-W587 HydrophobicContact CD1-CZ2 4.5Å; L583-W587 HydrophobicContact CD2-CZ2 4.21Å; L583-W587 HydrophobicContact CG-CZ2 3.93Å |
| 584 | C | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.3 | -38.3 | 178 | -62.5 | 0 | 0 | 0 | 0 | 112.1 | L580 V581 S586 W587 L603 | L580-C584 PolarHBondContact O-N 3.36Å; L580-C584 PolarHBondContact O-SG 3.29Å; V581-C584 PolarHBondContact O-N 3.37Å; V581-C584 VanDerWaalsContact O-N 3.16Å; C584-S586 VanDerWaalsContact C-N 3.35Å; C584-W587 VanDerWaalsContact CA-CE3 3.46Å; C584-W587 HydrophobicContact CB-CE3 4.18Å; C584-W587 HydrophobicContact CB-CZ3 4.11Å; C584-L603 HydrophobicContact CB-CD2 4.29Å |
| 585 | L | 96.3 | Very high | 95.2 | Very high | 11 Ų | 11 | 47.2 Ų | 47.2 | 6% | 0.058 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -72.7 | -26.6 | 178.2 | -69.2 | 170.8 | 0 | 0 | 0 | 112.8 | V581 D582 L583 W587 L588 L603 F619 K622 | V581-L585 HydrophobicContact CG1-CD1 3.75Å; V581-L585 HydrophobicContact CG1-CG 4.44Å; V581-L585 WeakPolarHBondContact O-CG 3.49Å; V581-L585 PolarHBondContact O-N 2.92Å; D582-L585 PolarHBondContact O-N 3.45Å; L583-L585 VanDerWaalsContact C-N 3.27Å; L583-L585 PolarHBondContact O-N 2.98Å; L585-W587 VanDerWaalsContact C-N 3.31Å; L585-L588 HydrophobicContact CD2-CD1 4.17Å; L585-L588 PolarHBondContact O-N 3.16Å; L585-L603 HydrophobicContact CD2-CD1 4.5Å; L585-F619 HydrophobicContact CD1-CD1 4.42Å; L585-F619 HydrophobicContact CD2-CD1 3.86Å; L585-F619 HydrophobicContact CD2-CE1 4.44Å; L585-F619 HydrophobicContact CG-CD1 4.23Å; L585-F619 HydrophobicContact CG-CE1 4.47Å; L585-K622 HydrophobicContact CB-CG 4.25Å; L585-K622 HydrophobicContact CD1-CB 3.92Å; L585-K622 HydrophobicContact CD1-CG 3.97Å; L585-K622 HydrophobicContact CD2-CB 3.96Å; L585-K622 HydrophobicContact CD2-CG 4.01Å; L585-K622 HydrophobicContact CG-CB 4.49Å; L585-K622 HydrophobicContact CG-CG 4.3Å |
| 586 | S | 95.7 | Very high | 95.5 | Very high | 50 Ų | 50 | 45.2 Ų | 45.2 | 35% | 0.35 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -69 | -30.1 | 177.5 | 81.5 | 0 | 0 | 0 | 0 | 112.1 | D582 L583 C584 L588 I589 | D582-S586 PolarHBondContact O-N 3.01Å; L583-S586 PolarHBondContact O-N 2.87Å; L583-S586 PolarHBondContact O-OG 3.3Å; C584-S586 VanDerWaalsContact C-N 3.35Å; S586-L588 VanDerWaalsContact C-N 3.25Å; S586-L588 PolarHBondContact O-N 3.16Å; S586-I589 WeakPolarHBondContact O-CG1 3.14Å; S586-I589 PolarHBondContact O-N 3.11Å |
| 587 | W | 97.5 | Very high | 95.7 | Very high | 5 Ų | 5 | 48.7 Ų | 48.7 | 2% | 0.019 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -66.1 | -23.5 | 177.6 | -59 | -38.7 | 0 | 0 | 0 | 114.2 | A549 I560 I561 M564 L583 C584 L585 I589 D590 I595 A599 | A549-W587 HydrophobicContact CB-CZ2 4.02Å; A549-W587 PolarHBondContact O-NE1 2.89Å; I560-W587 HydrophobicContact CG2-CH2 4.16Å; I560-W587 HydrophobicContact CG2-CZ2 3.84Å; I561-W587 HydrophobicContact CB-CE3 4.4Å; I561-W587 HydrophobicContact CB-CZ3 4.27Å; I561-W587 HydrophobicContact CD1-CB 4.17Å; I561-W587 HydrophobicContact CD1-CD2 3.88Å; I561-W587 HydrophobicContact CD1-CE3 4.19Å; I561-W587 HydrophobicContact CD1-CG 3.89Å; I561-W587 HydrophobicContact CG1-CD2 3.52Å; I561-W587 HydrophobicContact CG1-CE3 3.53Å; I561-W587 HydrophobicContact CG1-CG 4.08Å; I561-W587 HydrophobicContact CG1-CH2 3.88Å; I561-W587 HydrophobicContact CG1-CZ2 3.9Å; I561-W587 HydrophobicContact CG1-CZ3 3.72Å; I561-W587 HydrophobicContact CG2-CE3 4.36Å; I561-W587 HydrophobicContact CG2-CZ3 4.37Å; M564-W587 HydrophobicContact CB-CH2 3.99Å; M564-W587 HydrophobicContact CB-CZ3 4.21Å; M564-W587 HydrophobicContact CE-CH2 3.55Å; M564-W587 HydrophobicContact CE-CZ2 4.2Å; M564-W587 HydrophobicContact CG-CH2 3.94Å; M564-W587 HydrophobicContact CG-CZ3 4.08Å; L583-W587 HydrophobicContact CD1-CZ2 4.5Å; L583-W587 HydrophobicContact CD2-CZ2 4.21Å; L583-W587 HydrophobicContact CG-CZ2 3.93Å; C584-W587 VanDerWaalsContact CA-CE3 3.46Å; C584-W587 HydrophobicContact CB-CE3 4.18Å; C584-W587 HydrophobicContact CB-CZ3 4.11Å; L585-W587 VanDerWaalsContact C-N 3.31Å; W587-I589 PolarHBondContact O-N 2.89Å; W587-D590 WeakPolarHBondContact O-CB 3.4Å; W587-D590 PolarHBondContact O-N 2.9Å; W587-D590 VanDerWaalsContact O-N 3.16Å; W587-I595 HydrophobicContact CB-CG2 4.29Å; W587-A599 HydrophobicContact CB-CB 3.57Å |
| 588 | L | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -61.2 | -26.1 | 175.1 | -68.5 | 176.8 | 0 | 0 | 0 | 112.5 | L585 S586 R596 A599 V600 L603 I623 L626 I637 | L585-L588 HydrophobicContact CD2-CD1 4.17Å; L585-L588 PolarHBondContact O-N 3.16Å; S586-L588 VanDerWaalsContact C-N 3.25Å; S586-L588 PolarHBondContact O-N 3.16Å; L588-R596 WeakPolarHBondContact O-CD 3.47Å; L588-R596 WeakPolarHBondContact O-CG 3.48Å; L588-A599 HydrophobicContact CD2-CB 4.01Å; L588-V600 HydrophobicContact CD2-CG2 3.85Å; L588-L603 HydrophobicContact CD1-CD1 3.9Å; L588-L603 HydrophobicContact CD2-CD1 4Å; L588-L603 HydrophobicContact CG-CD1 4.24Å; L588-I623 HydrophobicContact CD1-CG1 4.22Å; L588-L626 HydrophobicContact CB-CD1 4.14Å; L588-L626 HydrophobicContact CD1-CD1 3.86Å; L588-I637 HydrophobicContact CD2-CG1 4.22Å; L588-I637 WeakPolarHBondContact O-CG2 3.28Å |
| 589 | I | 96 | Very high | 96.2 | Very high | 75 Ų | 75 | 42.9 Ų | 42.9 | 39% | 0.385 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -106.4 | 17.7 | -179.5 | 62.4 | 165.7 | 0 | 0 | 0 | 112.6 | S586 W587 L626 | S586-I589 WeakPolarHBondContact O-CG1 3.14Å; S586-I589 PolarHBondContact O-N 3.11Å; W587-I589 PolarHBondContact O-N 2.89Å; I589-L626 HydrophobicContact CG2-CD2 3.66Å |
| 590 | D | 97.1 | Very high | 96.6 | Very high | 22 Ų | 22 | 37.4 Ų | 37.4 | 12% | 0.118 | 19% | 0.194 | C | C | . | . | trans | -60.4 | 149 | 174.9 | -165.2 | -72.2 | 0 | 0 | 0 | 111.1 | R557 W587 V592 I595 R596 | R557-D590 IonicContact CZ-OD1 3.06Å; R557-D590 IonicContact CZ-OD2 2.78Å; R557-D590 IonicContact NE-OD2 3.1Å; R557-D590 PolarHBondContact NE-OD2 3.19Å; R557-D590 IonicContact NH2-OD1 3.82Å; R557-D590 PolarHBondContact NH2-OD1 2.93Å; R557-D590 IonicContact NH2-OD2 2.74Å; R557-D590 PolarHBondContact NH2-OD2 3.04Å; W587-D590 WeakPolarHBondContact O-CB 3.4Å; W587-D590 PolarHBondContact O-N 2.9Å; W587-D590 VanDerWaalsContact O-N 3.16Å; D590-V592 VanDerWaalsContact C-N 3.29Å; D590-V592 PolarHBondContact O-N 2.96Å; D590-V592 WeakPolarHBondContact OD1-CB 3.27Å; D590-V592 PolarHBondContact OD1-N 3.01Å; D590-I595 HydrophobicContact CB-CB 3.81Å; D590-I595 HydrophobicContact CB-CG2 3.39Å; D590-I595 WeakPolarHBondContact OD2-CG2 3.31Å; D590-R596 HydrophobicContact CB-CG 4.2Å; D590-R596 VanDerWaalsContact O-CD 3.22Å; D590-R596 WeakPolarHBondContact O-CD 3.35Å; D590-R596 VanDerWaalsContact O-CG 3.27Å; D590-R596 WeakPolarHBondContact O-CG 3.21Å; D590-R596 PolarHBondContact O-NH1 3.37Å | ||
| 591 | Q | 95 | Very high | 96.8 | Very high | 156 Ų | 156 | 41.4 Ų | 41.4 | 73% | 0.729 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -67.6 | -30.7 | 178.9 | -59.1 | -61.6 | -9.2 | 0 | 0 | 112.3 | R596 | Q591-R596 VanDerWaalsContact C-NH1 3.33Å; Q591-R596 PolarHBondContact O-NH1 3.43Å |
| 592 | V | 96.7 | Very high | 96.9 | Very high | 45 Ų | 45 | 41.3 Ų | 41.3 | 27% | 0.273 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -86.7 | 125.7 | -178.1 | -179.4 | 0 | 0 | 0 | 0 | 110.5 | W554 D590 A594 I595 R596 | W554-V592 HydrophobicContact CB-CB 4.32Å; W554-V592 HydrophobicContact CB-CG1 4.23Å; W554-V592 HydrophobicContact CB-CG2 3.91Å; W554-V592 HydrophobicContact CD2-CG1 4.24Å; W554-V592 HydrophobicContact CE3-CG1 4.44Å; W554-V592 HydrophobicContact CG-CG1 4.16Å; W554-V592 HydrophobicContact CG-CG2 4.3Å; D590-V592 VanDerWaalsContact C-N 3.29Å; D590-V592 PolarHBondContact O-N 2.96Å; D590-V592 WeakPolarHBondContact OD1-CB 3.27Å; D590-V592 PolarHBondContact OD1-N 3.01Å; V592-A594 HydrophobicContact CG1-CB 4.23Å; V592-A594 PolarHBondContact O-N 3.47Å; V592-I595 HydrophobicContact CB-CB 4.33Å; V592-I595 HydrophobicContact CB-CG1 3.9Å; V592-I595 HydrophobicContact CG1-CG1 4.11Å; V592-I595 WeakPolarHBondContact O-CB 3.38Å; V592-I595 PolarHBondContact O-N 3.1Å; V592-I595 VanDerWaalsContact O-N 3.17Å; V592-R596 PolarHBondContact O-N 2.94Å |
| 593 | Y | 95.3 | Very high | 97 | Very high | 127 Ų | 127 | 35.1 Ų | 35.1 | 50% | 0.498 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -56.5 | -47.2 | -180 | 171.7 | -92.6 | 0 | 0 | 0 | 113 | I595 R596 E597 | Y593-I595 PolarHBondContact O-N 3.31Å; Y593-R596 WeakPolarHBondContact O-CB 3.2Å; Y593-R596 PolarHBondContact O-N 2.92Å; Y593-E597 HydrophobicContact CE1-CB 4.21Å; Y593-E597 WeakPolarHBondContact CE1-OE2 3.41Å; Y593-E597 PolarHBondContact O-N 3.12Å; Y593-E597 PolarHBondContact OH-OE1 3.29Å |
| 594 | A | 97.7 | Very high | 97 | Very high | 31 Ų | 31 | 35 Ų | 35 | 26% | 0.256 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -57.7 | -32.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | W554 V592 A598 | W554-A594 HydrophobicContact CE3-CB 4.48Å; W554-A594 HydrophobicContact CZ3-CB 4.11Å; V592-A594 HydrophobicContact CG1-CB 4.23Å; V592-A594 PolarHBondContact O-N 3.47Å; A594-A598 VanDerWaalsContact O-CB 3.29Å; A594-A598 WeakPolarHBondContact O-CB 3.26Å; A594-A598 PolarHBondContact O-N 3.42Å |
| 595 | I | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -71.4 | -44.7 | 175.4 | -62 | -59.2 | 0 | 0 | 0 | 111.2 | W554 R557 L558 I561 W587 D590 V592 Y593 E597 A598 A599 | W554-I595 HydrophobicContact CB-CD1 4.26Å; W554-I595 HydrophobicContact CB-CG1 4.07Å; W554-I595 HydrophobicContact CE3-CD1 4.25Å; W554-I595 WeakPolarHBondContact O-CD1 3.44Å; R557-I595 HydrophobicContact CB-CD1 4Å; L558-I595 HydrophobicContact CB-CD1 3.77Å; I561-I595 HydrophobicContact CD1-CD1 4.12Å; I561-I595 HydrophobicContact CD1-CG2 3.56Å; W587-I595 HydrophobicContact CB-CG2 4.29Å; D590-I595 HydrophobicContact CB-CB 3.81Å; D590-I595 HydrophobicContact CB-CG2 3.39Å; D590-I595 WeakPolarHBondContact OD2-CG2 3.31Å; V592-I595 HydrophobicContact CB-CB 4.33Å; V592-I595 HydrophobicContact CB-CG1 3.9Å; V592-I595 HydrophobicContact CG1-CG1 4.11Å; V592-I595 WeakPolarHBondContact O-CB 3.38Å; V592-I595 PolarHBondContact O-N 3.1Å; V592-I595 VanDerWaalsContact O-N 3.17Å; Y593-I595 PolarHBondContact O-N 3.31Å; I595-E597 VanDerWaalsContact C-N 3.29Å; I595-E597 PolarHBondContact O-N 2.9Å; I595-A598 PolarHBondContact O-N 3.35Å; I595-A599 VanDerWaalsContact O-CB 3.29Å; I595-A599 WeakPolarHBondContact O-CB 3.17Å; I595-A599 PolarHBondContact O-N 2.92Å |
| 596 | R | 97.7 | Very high | 97 | Very high | 18 Ų | 18 | 37.7 Ų | 37.7 | 7% | 0.068 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.2 | -40.8 | 176.4 | -61.8 | -165.4 | -64 | -85.6 | 1.1 | 111.6 | L588 D590 Q591 V592 Y593 A599 V600 I637 | L588-R596 WeakPolarHBondContact O-CD 3.47Å; L588-R596 WeakPolarHBondContact O-CG 3.48Å; D590-R596 HydrophobicContact CB-CG 4.2Å; D590-R596 VanDerWaalsContact O-CD 3.22Å; D590-R596 WeakPolarHBondContact O-CD 3.35Å; D590-R596 VanDerWaalsContact O-CG 3.27Å; D590-R596 WeakPolarHBondContact O-CG 3.21Å; D590-R596 PolarHBondContact O-NH1 3.37Å; Q591-R596 VanDerWaalsContact C-NH1 3.33Å; Q591-R596 PolarHBondContact O-NH1 3.43Å; V592-R596 PolarHBondContact O-N 2.94Å; Y593-R596 WeakPolarHBondContact O-CB 3.2Å; Y593-R596 PolarHBondContact O-N 2.92Å; R596-A599 WeakPolarHBondContact O-CB 3.44Å; R596-A599 PolarHBondContact O-N 2.79Å; R596-V600 WeakPolarHBondContact O-CG2 3.46Å; R596-V600 PolarHBondContact O-N 3.45Å; R596-V600 VanDerWaalsContact O-N 3.12Å; R596-I637 HydrophobicContact CB-CD1 3.66Å; R596-I637 HydrophobicContact CB-CG1 4.03Å |
| 597 | E | 97.5 | Very high | 97 | Very high | 73 Ų | 73 | 35.4 Ų | 35.4 | 34% | 0.341 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -64 | -51.3 | 176.3 | -174.3 | 170.2 | -117.4 | 0 | 0 | 111.5 | Y593 I595 A599 V600 D601 | Y593-E597 HydrophobicContact CE1-CB 4.21Å; Y593-E597 WeakPolarHBondContact CE1-OE2 3.41Å; Y593-E597 PolarHBondContact O-N 3.12Å; Y593-E597 PolarHBondContact OH-OE1 3.29Å; I595-E597 VanDerWaalsContact C-N 3.29Å; I595-E597 PolarHBondContact O-N 2.9Å; E597-A599 PolarHBondContact O-N 3.17Å; E597-V600 WeakPolarHBondContact O-CB 3.27Å; E597-V600 PolarHBondContact O-N 3.07Å; E597-D601 PolarHBondContact O-N 3.38Å; E597-D601 VanDerWaalsContact O-N 3.1Å |
| 598 | A | 98.1 | Very high | 96.9 | Very high | 16 Ų | 16 | 41.6 Ų | 41.6 | 13% | 0.132 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.8 | -34.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L558 I561 A594 I595 D601 N602 | L558-A598 HydrophobicContact CD1-CB 3.31Å; I561-A598 HydrophobicContact CG2-CB 3.85Å; I561-A598 WeakPolarHBondContact CG2-O 3.38Å; A594-A598 VanDerWaalsContact O-CB 3.29Å; A594-A598 WeakPolarHBondContact O-CB 3.26Å; A594-A598 PolarHBondContact O-N 3.42Å; I595-A598 PolarHBondContact O-N 3.35Å; A598-D601 PolarHBondContact O-N 3.32Å; A598-N602 VanDerWaalsContact O-CB 3.23Å; A598-N602 WeakPolarHBondContact O-CB 3.42Å; A598-N602 PolarHBondContact O-N 2.89Å |
| 599 | A | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.9 | -42 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | W587 L588 I595 R596 E597 N602 L603 | W587-A599 HydrophobicContact CB-CB 3.57Å; L588-A599 HydrophobicContact CD2-CB 4.01Å; I595-A599 VanDerWaalsContact O-CB 3.29Å; I595-A599 WeakPolarHBondContact O-CB 3.17Å; I595-A599 PolarHBondContact O-N 2.92Å; R596-A599 WeakPolarHBondContact O-CB 3.44Å; R596-A599 PolarHBondContact O-N 2.79Å; E597-A599 PolarHBondContact O-N 3.17Å; A599-N602 WeakPolarHBondContact O-CB 3.26Å; A599-N602 PolarHBondContact O-N 2.79Å; A599-L603 WeakPolarHBondContact O-CG 3.4Å; A599-L603 PolarHBondContact O-N 3.36Å |
| 600 | V | 98.2 | Very high | 96.5 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61 | -46.8 | 175.1 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | L588 R596 E597 N602 L603 V604 I637 Q640 S641 S644 | L588-V600 HydrophobicContact CD2-CG2 3.85Å; R596-V600 WeakPolarHBondContact O-CG2 3.46Å; R596-V600 PolarHBondContact O-N 3.45Å; R596-V600 VanDerWaalsContact O-N 3.12Å; E597-V600 WeakPolarHBondContact O-CB 3.27Å; E597-V600 PolarHBondContact O-N 3.07Å; V600-N602 VanDerWaalsContact C-N 3.29Å; V600-N602 PolarHBondContact O-N 2.94Å; V600-L603 PolarHBondContact O-N 2.92Å; V600-V604 WeakPolarHBondContact O-CG2 3.35Å; V600-V604 PolarHBondContact O-N 2.88Å; V600-I637 HydrophobicContact CG2-CD1 3.67Å; V600-I637 HydrophobicContact CG2-CG1 3.92Å; V600-Q640 HydrophobicContact CG2-CG 4.4Å; V600-S641 WeakPolarHBondContact CG2-OG 3.48Å; V600-S644 WeakPolarHBondContact CG1-OG 3.25Å |
| 601 | D | 97.9 | Very high | 96.4 | Very high | 85 Ų | 85 | 45.6 Ų | 45.6 | 46% | 0.455 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.8 | -37.4 | 177.7 | -71.1 | -26.8 | 0 | 0 | 0 | 111.9 | E597 A598 V604 N605 | E597-D601 PolarHBondContact O-N 3.38Å; E597-D601 VanDerWaalsContact O-N 3.1Å; A598-D601 PolarHBondContact O-N 3.32Å; D601-V604 WeakPolarHBondContact O-CB 3.48Å; D601-V604 PolarHBondContact O-N 3.48Å; D601-N605 PolarHBondContact O-N 3.42Å; D601-N605 PolarHBondContact O-ND2 3.39Å |
| 602 | N | 97.2 | Very high | 96.3 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.4 | -47.4 | 173.2 | 179.3 | -94.8 | 0 | 0 | 0 | 111.7 | I561 P565 A598 A599 V600 V604 N605 L606 | I561-N602 HydrophobicContact CG2-CB 3.7Å; I561-N602 PolarHBondContact O-ND2 3.28Å; P565-N602 VanDerWaalsContact CD-ND2 3.3Å; P565-N602 WeakPolarHBondContact CD-ND2 3.48Å; P565-N602 WeakPolarHBondContact CG-ND2 3.47Å; A598-N602 VanDerWaalsContact O-CB 3.23Å; A598-N602 WeakPolarHBondContact O-CB 3.42Å; A598-N602 PolarHBondContact O-N 2.89Å; A599-N602 WeakPolarHBondContact O-CB 3.26Å; A599-N602 PolarHBondContact O-N 2.79Å; V600-N602 VanDerWaalsContact C-N 3.29Å; V600-N602 PolarHBondContact O-N 2.94Å; N602-V604 VanDerWaalsContact C-N 3.29Å; N602-V604 PolarHBondContact O-N 3.2Å; N602-N605 PolarHBondContact O-N 2.91Å; N602-N605 VanDerWaalsContact O-N 3.15Å; N602-L606 WeakPolarHBondContact O-CG 3.34Å; N602-L606 PolarHBondContact O-N 3.3Å; N602-L606 WeakPolarHBondContact OD1-CD1 3.45Å |
| 603 | L | 97.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62 | -37.5 | 176.2 | -61.3 | -175.3 | 0 | 0 | 0 | 112 | C584 L585 L588 A599 V600 L606 C607 F619 I623 L645 | C584-L603 HydrophobicContact CB-CD2 4.29Å; L585-L603 HydrophobicContact CD2-CD1 4.5Å; L588-L603 HydrophobicContact CD1-CD1 3.9Å; L588-L603 HydrophobicContact CD2-CD1 4Å; L588-L603 HydrophobicContact CG-CD1 4.24Å; A599-L603 WeakPolarHBondContact O-CG 3.4Å; A599-L603 PolarHBondContact O-N 3.36Å; V600-L603 PolarHBondContact O-N 2.92Å; L603-L606 PolarHBondContact O-N 3.49Å; L603-C607 VanDerWaalsContact O-CB 3.23Å; L603-C607 WeakPolarHBondContact O-CB 3.38Å; L603-C607 PolarHBondContact O-N 2.78Å; L603-F619 HydrophobicContact CB-CD2 4.15Å; L603-F619 HydrophobicContact CB-CE2 4.11Å; L603-F619 HydrophobicContact CD2-CD1 4.09Å; L603-F619 HydrophobicContact CD2-CD2 3.8Å; L603-F619 HydrophobicContact CD2-CE1 3.77Å; L603-F619 HydrophobicContact CD2-CE2 3.44Å; L603-F619 VanDerWaalsContact CD2-CE2 3.44Å; L603-F619 HydrophobicContact CD2-CG 4.09Å; L603-F619 HydrophobicContact CD2-CZ 3.4Å; L603-F619 HydrophobicContact CG-CD2 4.38Å; L603-F619 HydrophobicContact CG-CE2 4.3Å; L603-I623 HydrophobicContact CD1-CD1 4.1Å; L603-L645 HydrophobicContact CB-CD2 4.45Å |
| 604 | V | 97.1 | Very high | 96.2 | Very high | 13 Ų | 13 | 39.2 Ų | 39.2 | 8% | 0.079 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.9 | -45.6 | 174.3 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | V600 D601 N602 C607 K608 L645 V648 | V600-V604 WeakPolarHBondContact O-CG2 3.35Å; V600-V604 PolarHBondContact O-N 2.88Å; D601-V604 WeakPolarHBondContact O-CB 3.48Å; D601-V604 PolarHBondContact O-N 3.48Å; N602-V604 VanDerWaalsContact C-N 3.29Å; N602-V604 PolarHBondContact O-N 3.2Å; V604-C607 PolarHBondContact O-N 2.9Å; V604-K608 HydrophobicContact CG1-CD 4.39Å; V604-K608 WeakPolarHBondContact O-CG 3.46Å; V604-K608 PolarHBondContact O-N 3.43Å; V604-L645 HydrophobicContact CG2-CD2 3.95Å; V604-L645 HydrophobicContact CG2-CG 4.33Å; V604-V648 HydrophobicContact CG1-CG1 3.94Å; V604-V648 HydrophobicContact CG1-CG2 4.2Å |
| 605 | N | 96.3 | Very high | 96.1 | Very high | 68 Ų | 68 | 37.8 Ų | 37.8 | 36% | 0.364 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.9 | -41.4 | 179.2 | -70.5 | -28.3 | 0 | 0 | 0 | 112.3 | P565 D601 N602 K608 K609 | P565-N605 HydrophobicContact CB-CB 4.36Å; P565-N605 HydrophobicContact CG-CB 4.09Å; D601-N605 PolarHBondContact O-N 3.42Å; D601-N605 PolarHBondContact O-ND2 3.39Å; N602-N605 PolarHBondContact O-N 2.91Å; N602-N605 VanDerWaalsContact O-N 3.15Å; N605-K608 PolarHBondContact O-N 3.14Å; N605-K609 WeakPolarHBondContact O-CG 3.31Å; N605-K609 PolarHBondContact O-N 3.22Å; N605-K609 VanDerWaalsContact O-N 3.14Å |
| 606 | L | 96 | Very high | 96 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.3 | -40.8 | 173.7 | -69.2 | 170.5 | 0 | 0 | 0 | 111.6 | P565 A568 F576 N602 L603 K608 K609 F610 W614 F619 | P565-L606 HydrophobicContact CB-CD2 4.42Å; A568-L606 HydrophobicContact CB-CD2 3.65Å; F576-L606 HydrophobicContact CE1-CD1 4.27Å; F576-L606 HydrophobicContact CE1-CD2 4.46Å; F576-L606 HydrophobicContact CE2-CD1 4.49Å; F576-L606 HydrophobicContact CE2-CD2 4.38Å; F576-L606 HydrophobicContact CZ-CD1 3.65Å; F576-L606 HydrophobicContact CZ-CD2 4.02Å; F576-L606 HydrophobicContact CZ-CG 4.49Å; N602-L606 WeakPolarHBondContact O-CG 3.34Å; N602-L606 PolarHBondContact O-N 3.3Å; N602-L606 WeakPolarHBondContact OD1-CD1 3.45Å; L603-L606 PolarHBondContact O-N 3.49Å; L606-K608 PolarHBondContact O-N 3.14Å; L606-K609 PolarHBondContact O-N 3.25Å; L606-F610 HydrophobicContact CD2-CD2 4.43Å; L606-F610 HydrophobicContact CD2-CE2 3.84Å; L606-F610 PolarHBondContact O-N 2.99Å; L606-W614 HydrophobicContact CB-CH2 4.15Å; L606-W614 HydrophobicContact CB-CZ3 4.1Å; L606-F619 HydrophobicContact CB-CE2 3.98Å; L606-F619 HydrophobicContact CB-CZ 4.31Å; L606-F619 HydrophobicContact CD1-CE2 4.22Å; L606-F619 HydrophobicContact CD1-CZ 3.83Å |
| 607 | C | 95.8 | Very high | 95.9 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.014 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.1 | -39.4 | 175.4 | -175.4 | 0 | 0 | 0 | 0 | 112.2 | L603 V604 K609 G611 A615 L645 V648 | L603-C607 VanDerWaalsContact O-CB 3.23Å; L603-C607 WeakPolarHBondContact O-CB 3.38Å; L603-C607 PolarHBondContact O-N 2.78Å; V604-C607 PolarHBondContact O-N 2.9Å; C607-K609 VanDerWaalsContact C-N 3.26Å; C607-K609 PolarHBondContact O-N 2.94Å; C607-G611 CarbonylContact O-C 3.58Å; C607-G611 VanDerWaalsContact O-CA 3.25Å; C607-G611 WeakPolarHBondContact O-CA 3.28Å; C607-G611 PolarHBondContact O-N 3.35Å; C607-A615 HydrophobicContact CB-CB 4.17Å; C607-A615 VanDerWaalsContact SG-CB 3.56Å; C607-L645 HydrophobicContact CB-CD2 4.21Å; C607-V648 HydrophobicContact CB-CG2 4.08Å |
| 608 | K | 95 | Very high | 95.7 | Very high | 136 Ų | 136 | 43.6 Ų | 43.6 | 59% | 0.591 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -61.9 | -35.7 | 173.9 | -73.4 | 172.6 | -177.4 | 171.1 | 0 | 111.9 | V604 N605 L606 V648 | V604-K608 HydrophobicContact CG1-CD 4.39Å; V604-K608 WeakPolarHBondContact O-CG 3.46Å; V604-K608 PolarHBondContact O-N 3.43Å; N605-K608 PolarHBondContact O-N 3.14Å; L606-K608 PolarHBondContact O-N 3.14Å; K608-V648 HydrophobicContact CD-CG1 4.26Å; K608-V648 HydrophobicContact CG-CB 4.29Å; K608-V648 HydrophobicContact CG-CG1 3.74Å |
| 609 | K | 91.1 | Very high | 95.6 | Very high | 101 Ų | 101 | 42.8 Ų | 42.8 | 44% | 0.439 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -78 | -46.2 | -179.9 | -73.7 | 179.4 | 178.3 | -77.1 | 0 | 113.1 | P565 E569 N605 L606 C607 | P565-K609 HydrophobicContact CB-CD 4.4Å; E569-K609 IonicContact OE2-NZ 3.68Å; E569-K609 PolarHBondContact OE2-NZ 3.21Å; N605-K609 WeakPolarHBondContact O-CG 3.31Å; N605-K609 PolarHBondContact O-N 3.22Å; N605-K609 VanDerWaalsContact O-N 3.14Å; L606-K609 PolarHBondContact O-N 3.25Å; C607-K609 VanDerWaalsContact C-N 3.26Å; C607-K609 PolarHBondContact O-N 2.94Å |
| 610 | F | 93.7 | Very high | 95.4 | Very high | 49 Ų | 49 | 42.9 Ų | 42.9 | 22% | 0.215 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -100.8 | -8.4 | -172 | -57.5 | -40.9 | 0 | 0 | 0 | 114.5 | A568 L573 F576 L606 W614 | A568-F610 HydrophobicContact CB-CE2 4.03Å; A568-F610 HydrophobicContact CB-CZ 3.89Å; L573-F610 HydrophobicContact CD1-CB 4.04Å; L573-F610 HydrophobicContact CD1-CD1 3.69Å; L573-F610 HydrophobicContact CD1-CD2 3.73Å; L573-F610 HydrophobicContact CD1-CE1 3.99Å; L573-F610 HydrophobicContact CD1-CE2 4.01Å; L573-F610 HydrophobicContact CD1-CG 3.55Å; L573-F610 HydrophobicContact CD1-CZ 4.13Å; F576-F610 HydrophobicContact CD1-CE2 4.04Å; F576-F610 HydrophobicContact CE1-CE2 4.3Å; F576-F610 HydrophobicContact CG-CE2 4.47Å; L606-F610 HydrophobicContact CD2-CD2 4.43Å; L606-F610 HydrophobicContact CD2-CE2 3.84Å; L606-F610 PolarHBondContact O-N 2.99Å; F610-W614 HydrophobicContact CB-CB 4.25Å; F610-W614 HydrophobicContact CB-CD2 3.58Å; F610-W614 HydrophobicContact CB-CE3 3.56Å; F610-W614 HydrophobicContact CB-CG 3.89Å; F610-W614 HydrophobicContact CB-CZ3 4.11Å; F610-W614 HydrophobicContact CD2-CD2 4.15Å; F610-W614 AromaticContact CD2-CE2 3.98Å; F610-W614 HydrophobicContact CD2-CE3 4.07Å; F610-W614 AromaticContact CD2-CH2 3.6Å; F610-W614 HydrophobicContact CD2-CH2 3.6Å; F610-W614 AromaticContact CD2-CZ2 3.74Å; F610-W614 HydrophobicContact CD2-CZ2 3.74Å; F610-W614 AromaticContact CD2-CZ3 3.79Å; F610-W614 HydrophobicContact CD2-CZ3 3.79Å; F610-W614 HydrophobicContact CE2-CH2 4.29Å; F610-W614 HydrophobicContact CE2-CZ2 4.34Å; F610-W614 HydrophobicContact CG-CD2 4.3Å; F610-W614 HydrophobicContact CG-CE3 4.33Å; F610-W614 HydrophobicContact CG-CZ3 4.47Å; F610-W614 WeakPolarHBondContact O-CB 3.47Å |
| 611 | G | 93.9 | Very high | 95.3 | Very high | 30 Ų | 30 | 46.3 Ų | 46.3 | 31% | 0.309 | 24% | 0.235 | S | C | . | . | trans | 90.9 | 166.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | C607 A615 | C607-G611 CarbonylContact O-C 3.58Å; C607-G611 VanDerWaalsContact O-CA 3.25Å; C607-G611 WeakPolarHBondContact O-CA 3.28Å; C607-G611 PolarHBondContact O-N 3.35Å; G611-A615 PolarHBondContact O-N 3.3Å | ||
| 612 | S | 94.6 | Very high | 95.2 | Very high | 37 Ų | 37 | 46.9 Ų | 46.9 | 26% | 0.259 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.5 | -37.6 | -172.2 | 64 | 0 | 0 | 0 | 0 | 113.6 | A615 S616 I653 | S612-A615 PolarHBondContact O-N 3.34Å; S612-S616 PolarHBondContact O-N 3.03Å; S612-I653 VanDerWaalsContact O-CD1 3.25Å; S612-I653 WeakPolarHBondContact O-CD1 3.49Å |
| 613 | E | 94.9 | Very high | 95.1 | Very high | 139 Ų | 139 | 46.7 Ų | 46.7 | 65% | 0.65 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -66.3 | -41.3 | -179.1 | -169.4 | 59.4 | -154.6 | 0 | 0 | 111.3 | A615 S616 Q617 | E613-A615 PolarHBondContact O-N 3.15Å; E613-S616 VanDerWaalsContact O-CB 3.32Å; E613-S616 WeakPolarHBondContact O-CB 3.49Å; E613-S616 PolarHBondContact O-N 3.05Å; E613-Q617 PolarHBondContact O-N 3.39Å; E613-Q617 VanDerWaalsContact O-N 3.12Å |
| 614 | W | 94.6 | Very high | 95.1 | Very high | 19 Ų | 19 | 48.1 Ų | 48.1 | 7% | 0.072 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.4 | -45.1 | 174.1 | 174.1 | 83.9 | 0 | 0 | 0 | 111.5 | L573 F576 N577 V581 L606 F610 S616 Q617 Y618 F619 | L573-W614 HydrophobicContact CD1-CD2 4.46Å; L573-W614 HydrophobicContact CD1-CG 4.38Å; L573-W614 HydrophobicContact CD1-CZ2 4.41Å; F576-W614 HydrophobicContact CD1-CH2 4.43Å; F576-W614 AromaticContact CD1-CZ2 3.9Å; F576-W614 HydrophobicContact CD1-CZ2 3.9Å; F576-W614 AromaticContact CE1-CH2 3.83Å; F576-W614 HydrophobicContact CE1-CH2 3.83Å; F576-W614 AromaticContact CE1-CZ2 3.69Å; F576-W614 HydrophobicContact CE1-CZ2 3.69Å; N577-W614 PolarHBondContact OD1-NE1 3.27Å; V581-W614 HydrophobicContact CG2-CZ2 4.26Å; L606-W614 HydrophobicContact CB-CH2 4.15Å; L606-W614 HydrophobicContact CB-CZ3 4.1Å; F610-W614 HydrophobicContact CB-CB 4.25Å; F610-W614 HydrophobicContact CB-CD2 3.58Å; F610-W614 HydrophobicContact CB-CE3 3.56Å; F610-W614 HydrophobicContact CB-CG 3.89Å; F610-W614 HydrophobicContact CB-CZ3 4.11Å; F610-W614 HydrophobicContact CD2-CD2 4.15Å; F610-W614 AromaticContact CD2-CE2 3.98Å; F610-W614 HydrophobicContact CD2-CE3 4.07Å; F610-W614 AromaticContact CD2-CH2 3.6Å; F610-W614 HydrophobicContact CD2-CH2 3.6Å; F610-W614 AromaticContact CD2-CZ2 3.74Å; F610-W614 HydrophobicContact CD2-CZ2 3.74Å; F610-W614 AromaticContact CD2-CZ3 3.79Å; F610-W614 HydrophobicContact CD2-CZ3 3.79Å; F610-W614 HydrophobicContact CE2-CH2 4.29Å; F610-W614 HydrophobicContact CE2-CZ2 4.34Å; F610-W614 HydrophobicContact CG-CD2 4.3Å; F610-W614 HydrophobicContact CG-CE3 4.33Å; F610-W614 HydrophobicContact CG-CZ3 4.47Å; F610-W614 WeakPolarHBondContact O-CB 3.47Å; W614-S616 VanDerWaalsContact C-N 3.28Å; W614-S616 PolarHBondContact O-N 2.84Å; W614-Q617 PolarHBondContact O-N 2.98Å; W614-Q617 VanDerWaalsContact O-N 3.09Å; W614-Y618 AromaticContact CD1-CD2 3.49Å; W614-Y618 VanDerWaalsContact CD1-CD2 3.49Å; W614-Y618 AromaticContact CD1-CE2 3.6Å; W614-Y618 HydrophobicContact CD2-CD2 4.38Å; W614-Y618 AromaticContact CE2-CD2 3.91Å; W614-Y618 HydrophobicContact CG-CD2 4.16Å; W614-Y618 AromaticContact NE1-CD2 3.29Å; W614-Y618 VanDerWaalsContact NE1-CD2 3.29Å; W614-Y618 AromaticContact NE1-CE2 3.55Å; W614-Y618 WeakPolarHBondContact O-CD2 3.26Å; W614-Y618 PolarHBondContact O-N 3.39Å; W614-Y618 VanDerWaalsContact O-N 3.08Å; W614-F619 HydrophobicContact CE3-CE2 4.45Å; W614-F619 HydrophobicContact CH2-CD2 4.17Å; W614-F619 AromaticContact CH2-CE1 3.87Å; W614-F619 HydrophobicContact CH2-CE1 3.87Å; W614-F619 AromaticContact CH2-CE2 3.34Å; W614-F619 HydrophobicContact CH2-CE2 3.34Å; W614-F619 AromaticContact CH2-CZ 3.18Å; W614-F619 HydrophobicContact CH2-CZ 3.18Å; W614-F619 HydrophobicContact CZ2-CE1 4.46Å; W614-F619 HydrophobicContact CZ2-CZ 4.13Å; W614-F619 AromaticContact CZ3-CD2 3.83Å; W614-F619 HydrophobicContact CZ3-CD2 3.83Å; W614-F619 HydrophobicContact CZ3-CE1 4.48Å; W614-F619 AromaticContact CZ3-CE2 3.27Å; W614-F619 HydrophobicContact CZ3-CE2 3.27Å; W614-F619 AromaticContact CZ3-CZ 3.68Å; W614-F619 HydrophobicContact CZ3-CZ 3.68Å |
| 615 | A | 95.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.2 | -37.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | C607 G611 S612 E613 Q617 Y618 F619 I620 V649 | C607-A615 HydrophobicContact CB-CB 4.17Å; C607-A615 VanDerWaalsContact SG-CB 3.56Å; G611-A615 PolarHBondContact O-N 3.3Å; S612-A615 PolarHBondContact O-N 3.34Å; E613-A615 PolarHBondContact O-N 3.15Å; A615-Q617 VanDerWaalsContact C-N 3.27Å; A615-Q617 PolarHBondContact O-N 2.9Å; A615-Y618 PolarHBondContact O-N 2.99Å; A615-F619 HydrophobicContact CB-CD2 4.5Å; A615-F619 PolarHBondContact O-N 3.14Å; A615-I620 WeakPolarHBondContact O-CG1 3.45Å; A615-I620 PolarHBondContact O-N 2.85Å; A615-V649 HydrophobicContact CB-CG1 4.48Å |
| 616 | S | 95.4 | Very high | 95.1 | Very high | 17 Ų | 17 | 50.2 Ų | 50.2 | 12% | 0.119 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.1 | -35.9 | 174.6 | -169.8 | 0 | 0 | 0 | 0 | 112.7 | S612 E613 W614 P621 | S612-S616 PolarHBondContact O-N 3.03Å; E613-S616 VanDerWaalsContact O-CB 3.32Å; E613-S616 WeakPolarHBondContact O-CB 3.49Å; E613-S616 PolarHBondContact O-N 3.05Å; W614-S616 VanDerWaalsContact C-N 3.28Å; W614-S616 PolarHBondContact O-N 2.84Å; S616-P621 VanDerWaalsContact O-CD 3.29Å; S616-P621 WeakPolarHBondContact O-CD 3.26Å |
| 617 | Q | 95.2 | Very high | 95.1 | Very high | 127 Ų | 127 | 50.9 Ų | 50.9 | 59% | 0.593 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -76.3 | -44.4 | 179.4 | -176.4 | 177.5 | -3.8 | 0 | 0 | 112.8 | E613 W614 A615 | E613-Q617 PolarHBondContact O-N 3.39Å; E613-Q617 VanDerWaalsContact O-N 3.12Å; W614-Q617 PolarHBondContact O-N 2.98Å; W614-Q617 VanDerWaalsContact O-N 3.09Å; A615-Q617 VanDerWaalsContact C-N 3.27Å; A615-Q617 PolarHBondContact O-N 2.9Å |
| 618 | Y | 94.4 | Very high | 95 | Very high | 69 Ų | 69 | 60 Ų | 60 | 27% | 0.271 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -103.1 | -39 | -167.8 | -70.2 | -84 | 0 | 0 | 0 | 114.5 | N577 V581 W614 A615 | N577-Y618 HydrophobicContact CB-CE1 3.91Å; N577-Y618 PolarHBondContact ND2-OH 2.87Å; V581-Y618 HydrophobicContact CG1-CD1 4.23Å; V581-Y618 HydrophobicContact CG2-CD1 4.37Å; W614-Y618 AromaticContact CD1-CD2 3.49Å; W614-Y618 VanDerWaalsContact CD1-CD2 3.49Å; W614-Y618 AromaticContact CD1-CE2 3.6Å; W614-Y618 HydrophobicContact CD2-CD2 4.38Å; W614-Y618 AromaticContact CE2-CD2 3.91Å; W614-Y618 HydrophobicContact CG-CD2 4.16Å; W614-Y618 AromaticContact NE1-CD2 3.29Å; W614-Y618 VanDerWaalsContact NE1-CD2 3.29Å; W614-Y618 AromaticContact NE1-CE2 3.55Å; W614-Y618 WeakPolarHBondContact O-CD2 3.26Å; W614-Y618 PolarHBondContact O-N 3.39Å; W614-Y618 VanDerWaalsContact O-N 3.08Å; A615-Y618 PolarHBondContact O-N 2.99Å |
| 619 | F | 94.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -46.7 | -171.5 | -65.2 | -18.5 | 0 | 0 | 0 | 113.2 | V581 L585 L603 L606 W614 A615 P621 K622 I623 | V581-F619 HydrophobicContact CG1-CD1 4.45Å; V581-F619 HydrophobicContact CG1-CE1 4.12Å; V581-F619 HydrophobicContact CG2-CE1 4.36Å; L585-F619 HydrophobicContact CD1-CD1 4.42Å; L585-F619 HydrophobicContact CD2-CD1 3.86Å; L585-F619 HydrophobicContact CD2-CE1 4.44Å; L585-F619 HydrophobicContact CG-CD1 4.23Å; L585-F619 HydrophobicContact CG-CE1 4.47Å; L603-F619 HydrophobicContact CB-CD2 4.15Å; L603-F619 HydrophobicContact CB-CE2 4.11Å; L603-F619 HydrophobicContact CD2-CD1 4.09Å; L603-F619 HydrophobicContact CD2-CD2 3.8Å; L603-F619 HydrophobicContact CD2-CE1 3.77Å; L603-F619 HydrophobicContact CD2-CE2 3.44Å; L603-F619 VanDerWaalsContact CD2-CE2 3.44Å; L603-F619 HydrophobicContact CD2-CG 4.09Å; L603-F619 HydrophobicContact CD2-CZ 3.4Å; L603-F619 HydrophobicContact CG-CD2 4.38Å; L603-F619 HydrophobicContact CG-CE2 4.3Å; L606-F619 HydrophobicContact CB-CE2 3.98Å; L606-F619 HydrophobicContact CB-CZ 4.31Å; L606-F619 HydrophobicContact CD1-CE2 4.22Å; L606-F619 HydrophobicContact CD1-CZ 3.83Å; W614-F619 HydrophobicContact CE3-CE2 4.45Å; W614-F619 HydrophobicContact CH2-CD2 4.17Å; W614-F619 AromaticContact CH2-CE1 3.87Å; W614-F619 HydrophobicContact CH2-CE1 3.87Å; W614-F619 AromaticContact CH2-CE2 3.34Å; W614-F619 HydrophobicContact CH2-CE2 3.34Å; W614-F619 AromaticContact CH2-CZ 3.18Å; W614-F619 HydrophobicContact CH2-CZ 3.18Å; W614-F619 HydrophobicContact CZ2-CE1 4.46Å; W614-F619 HydrophobicContact CZ2-CZ 4.13Å; W614-F619 AromaticContact CZ3-CD2 3.83Å; W614-F619 HydrophobicContact CZ3-CD2 3.83Å; W614-F619 HydrophobicContact CZ3-CE1 4.48Å; W614-F619 AromaticContact CZ3-CE2 3.27Å; W614-F619 HydrophobicContact CZ3-CE2 3.27Å; W614-F619 AromaticContact CZ3-CZ 3.68Å; W614-F619 HydrophobicContact CZ3-CZ 3.68Å; A615-F619 HydrophobicContact CB-CD2 4.5Å; A615-F619 PolarHBondContact O-N 3.14Å; F619-P621 VanDerWaalsContact C-CD 3.48Å; F619-K622 PolarHBondContact O-N 3.49Å; F619-K622 VanDerWaalsContact O-N 3.09Å; F619-I623 HydrophobicContact CB-CD1 4.23Å; F619-I623 WeakPolarHBondContact O-CG1 3.46Å; F619-I623 PolarHBondContact O-N 3.39Å |
| 620 | I | 95.9 | Very high | 94.8 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.7 | -43.9 | -174.9 | -62.4 | -46.3 | 0 | 0 | 0 | 112.9 | A615 K622 I623 I624 L645 I653 Y657 L658 | A615-I620 WeakPolarHBondContact O-CG1 3.45Å; A615-I620 PolarHBondContact O-N 2.85Å; I620-K622 VanDerWaalsContact C-N 3.29Å; I620-K622 PolarHBondContact O-N 2.99Å; I620-I623 HydrophobicContact CD1-CD1 4.4Å; I620-I623 PolarHBondContact O-N 2.94Å; I620-I624 HydrophobicContact CG2-CD1 3.59Å; I620-I624 HydrophobicContact CG2-CG1 4.21Å; I620-I624 VanDerWaalsContact O-CG1 3.29Å; I620-I624 WeakPolarHBondContact O-CG1 3.41Å; I620-I624 PolarHBondContact O-N 3.41Å; I620-L645 HydrophobicContact CD1-CD1 4.17Å; I620-I653 HydrophobicContact CG1-CG2 4.25Å; I620-Y657 HydrophobicContact CG2-CG 4.21Å; I620-L658 HydrophobicContact CD1-CD2 3.88Å; I620-L658 HydrophobicContact CG2-CD2 4.2Å |
| 621 | P | 96.2 | Very high | 94.8 | Very high | 73 Ų | 73 | 59.2 Ų | 59.2 | 47% | 0.474 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.5 | -39.1 | 179.2 | -24.8 | 36.1 | 0 | 0 | 0 | 112.6 | S616 F619 H625 | S616-P621 VanDerWaalsContact O-CD 3.29Å; S616-P621 WeakPolarHBondContact O-CD 3.26Å; F619-P621 VanDerWaalsContact C-CD 3.48Å; P621-H625 PolarHBondContact O-N 2.99Å; P621-H625 VanDerWaalsContact O-N 3.12Å |
| 622 | K | 94.6 | Very high | 94.9 | Very high | 98 Ų | 98 | 62.7 Ų | 62.7 | 43% | 0.426 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -72.7 | -41.2 | 179.7 | -170 | 70.1 | 173.5 | -170.4 | 0 | 111.7 | L585 F619 I620 I624 H625 L626 | L585-K622 HydrophobicContact CB-CG 4.25Å; L585-K622 HydrophobicContact CD1-CB 3.92Å; L585-K622 HydrophobicContact CD1-CG 3.97Å; L585-K622 HydrophobicContact CD2-CB 3.96Å; L585-K622 HydrophobicContact CD2-CG 4.01Å; L585-K622 HydrophobicContact CG-CB 4.49Å; L585-K622 HydrophobicContact CG-CG 4.3Å; F619-K622 PolarHBondContact O-N 3.49Å; F619-K622 VanDerWaalsContact O-N 3.09Å; I620-K622 VanDerWaalsContact C-N 3.29Å; I620-K622 PolarHBondContact O-N 2.99Å; K622-I624 VanDerWaalsContact C-N 3.35Å; K622-I624 PolarHBondContact O-N 3.1Å; K622-H625 WeakPolarHBondContact O-CB 3.31Å; K622-H625 PolarHBondContact O-N 3.43Å; K622-L626 PolarHBondContact O-N 3.41Å |
| 623 | I | 96.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.6 | -46.6 | 176.3 | -67.7 | 167.2 | 0 | 0 | 0 | 110.2 | L588 L603 F619 I620 H625 L626 C638 I642 L645 | L588-I623 HydrophobicContact CD1-CG1 4.22Å; L603-I623 HydrophobicContact CD1-CD1 4.1Å; F619-I623 HydrophobicContact CB-CD1 4.23Å; F619-I623 WeakPolarHBondContact O-CG1 3.46Å; F619-I623 PolarHBondContact O-N 3.39Å; I620-I623 HydrophobicContact CD1-CD1 4.4Å; I620-I623 PolarHBondContact O-N 2.94Å; I623-H625 PolarHBondContact O-N 3.49Å; I623-L626 WeakPolarHBondContact O-CB 3.27Å; I623-L626 PolarHBondContact O-N 3.16Å; I623-C638 PolarHBondContact O-SG 3.24Å; I623-I642 HydrophobicContact CG2-CG1 4.33Å; I623-L645 HydrophobicContact CD1-CD1 3.25Å |
| 624 | I | 96.6 | Very high | 94.9 | Very high | 30 Ų | 30 | 58.3 Ų | 58.3 | 15% | 0.154 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.3 | -37.2 | 177.5 | -67.5 | 172.1 | 0 | 0 | 0 | 111.2 | I620 K622 L626 S627 Y657 T661 | I620-I624 HydrophobicContact CG2-CD1 3.59Å; I620-I624 HydrophobicContact CG2-CG1 4.21Å; I620-I624 VanDerWaalsContact O-CG1 3.29Å; I620-I624 WeakPolarHBondContact O-CG1 3.41Å; I620-I624 PolarHBondContact O-N 3.41Å; K622-I624 VanDerWaalsContact C-N 3.35Å; K622-I624 PolarHBondContact O-N 3.1Å; I624-L626 PolarHBondContact O-N 2.82Å; I624-S627 WeakPolarHBondContact O-CB 3.32Å; I624-S627 PolarHBondContact O-N 3.35Å; I624-S627 VanDerWaalsContact O-N 3.13Å; I624-S627 PolarHBondContact O-OG 3.43Å; I624-Y657 HydrophobicContact CD1-CD1 4.37Å; I624-T661 HydrophobicContact CG1-CG2 4.32Å; I624-T661 WeakPolarHBondContact CG1-OG1 3.37Å; I624-T661 HydrophobicContact CG2-CG2 4.32Å |
| 625 | H | 95.9 | Very high | 95 | Very high | 113 Ų | 113 | 59 Ų | 59 | 52% | 0.523 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.1 | -33.3 | 176.7 | -173.5 | 77.7 | 0 | 0 | 0 | 112.5 | P621 K622 I623 S627 R628 | P621-H625 PolarHBondContact O-N 2.99Å; P621-H625 VanDerWaalsContact O-N 3.12Å; K622-H625 WeakPolarHBondContact O-CB 3.31Å; K622-H625 PolarHBondContact O-N 3.43Å; I623-H625 PolarHBondContact O-N 3.49Å; H625-S627 PolarHBondContact O-N 2.68Å; H625-R628 PolarHBondContact O-N 3.01Å; H625-R628 VanDerWaalsContact O-N 3.11Å |
| 626 | L | 96.1 | Very high | 95 | Very high | 13 Ų | 13 | 60.7 Ų | 60.7 | 7% | 0.068 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.9 | -24.2 | 177.2 | -63.5 | 173.9 | 0 | 0 | 0 | 113 | L588 I589 K622 I623 I624 R628 G629 H634 I637 C638 | L588-L626 HydrophobicContact CB-CD1 4.14Å; L588-L626 HydrophobicContact CD1-CD1 3.86Å; I589-L626 HydrophobicContact CG2-CD2 3.66Å; K622-L626 PolarHBondContact O-N 3.41Å; I623-L626 WeakPolarHBondContact O-CB 3.27Å; I623-L626 PolarHBondContact O-N 3.16Å; I624-L626 PolarHBondContact O-N 2.82Å; L626-R628 PolarHBondContact O-N 3.22Å; L626-G629 PolarHBondContact O-N 3.34Å; L626-G629 VanDerWaalsContact O-N 3.12Å; L626-H634 HydrophobicContact CD2-CB 4.2Å; L626-I637 HydrophobicContact CD1-CG2 4.04Å; L626-C638 HydrophobicContact CB-CB 3.91Å |
| 627 | S | 96 | Very high | 95.1 | Very high | 14 Ų | 14 | 60.2 Ų | 60.2 | 10% | 0.098 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -22.9 | 174.7 | 70.3 | 0 | 0 | 0 | 0 | 113.2 | I624 H625 R635 M665 | I624-S627 WeakPolarHBondContact O-CB 3.32Å; I624-S627 PolarHBondContact O-N 3.35Å; I624-S627 VanDerWaalsContact O-N 3.13Å; I624-S627 PolarHBondContact O-OG 3.43Å; H625-S627 PolarHBondContact O-N 2.68Å; S627-R635 VanDerWaalsContact O-CD 3.26Å; S627-R635 WeakPolarHBondContact O-CD 3.37Å; S627-M665 VanDerWaalsContact CB-SD 3.51Å |
| 628 | R | 94 | Very high | 95.2 | Very high | 194 Ų | 194 | 54.1 Ų | 54.1 | 73% | 0.732 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 3.1 | -179.4 | -56.1 | 178.9 | -176.2 | 168.7 | 1.3 | 113.1 | H625 L626 | H625-R628 PolarHBondContact O-N 3.01Å; H625-R628 VanDerWaalsContact O-N 3.11Å; L626-R628 PolarHBondContact O-N 3.22Å |
| 629 | G | 90.3 | Very high | 95.4 | Very high | 18 Ų | 18 | 50.9 Ų | 50.9 | 19% | 0.186 | 24% | 0.24 | C | C | . | . | trans | -69.4 | 141.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L626 N631 R635 | L626-G629 PolarHBondContact O-N 3.34Å; L626-G629 VanDerWaalsContact O-N 3.12Å; G629-N631 VanDerWaalsContact C-N 3.34Å; G629-R635 VanDerWaalsContact O-CD 3.27Å; G629-R635 WeakPolarHBondContact O-CD 3.22Å; G629-R635 VanDerWaalsContact O-CG 3.3Å; G629-R635 WeakPolarHBondContact O-CG 3.49Å; G629-R635 PolarHBondContact O-NH1 2.91Å | ||
| 630 | E | 92.4 | Very high | 95.5 | Very high | 191 Ų | 191 | 52.6 Ų | 52.6 | 89% | 0.893 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -66.5 | -37.1 | 176.4 | -63.9 | -178.6 | 174.7 | 0 | 0 | 112 | Y632 R635 | E630-Y632 PolarHBondContact O-N 3.18Å; E630-R635 VanDerWaalsContact C-NH1 3.32Å; E630-R635 PolarHBondContact O-NH1 3.11Å |
| 631 | N | 93.6 | Very high | 95.6 | Very high | 59 Ų | 59 | 52.5 Ų | 52.5 | 32% | 0.316 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -70.4 | 118.9 | 174.6 | -172.3 | -15.5 | 0 | 0 | 0 | 110.2 | G629 L633 H634 R635 | G629-N631 VanDerWaalsContact C-N 3.34Å; N631-L633 PolarHBondContact O-N 3.23Å; N631-L633 VanDerWaalsContact O-N 3.17Å; N631-L633 WeakPolarHBondContact OD1-CB 3.08Å; N631-L633 PolarHBondContact OD1-N 3.46Å; N631-H634 WeakPolarHBondContact O-CB 3.29Å; N631-H634 PolarHBondContact O-N 3.04Å; N631-R635 PolarHBondContact O-N 3.09Å |
| 632 | Y | 94.9 | Very high | 95.7 | Very high | 104 Ų | 104 | 49 Ų | 49 | 41% | 0.408 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.9 | -27.6 | 179.5 | 82.9 | -86 | 0 | 0 | 0 | 112.6 | E630 H634 R635 M636 V670 I673 | E630-Y632 PolarHBondContact O-N 3.18Å; Y632-H634 VanDerWaalsContact C-N 3.27Å; Y632-H634 PolarHBondContact O-N 3.32Å; Y632-R635 PolarHBondContact O-N 2.95Å; Y632-M636 WeakPolarHBondContact O-CB 3.01Å; Y632-M636 PolarHBondContact O-N 3.32Å; Y632-V670 HydrophobicContact CD2-CG1 4.22Å; Y632-V670 HydrophobicContact CG-CG2 4.44Å; Y632-I673 WeakPolarHBondContact O-CD1 3.29Å |
| 633 | L | 94.6 | Very high | 95.9 | Very high | 39 Ų | 39 | 45 Ų | 45 | 20% | 0.204 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.3 | -34.3 | 175.9 | -65 | 177.1 | 0 | 0 | 0 | 112.1 | N631 M636 I637 | N631-L633 PolarHBondContact O-N 3.23Å; N631-L633 VanDerWaalsContact O-N 3.17Å; N631-L633 WeakPolarHBondContact OD1-CB 3.08Å; N631-L633 PolarHBondContact OD1-N 3.46Å; L633-M636 WeakPolarHBondContact O-CB 3.35Å; L633-M636 PolarHBondContact O-N 3.48Å; L633-I637 PolarHBondContact O-N 3.05Å |
| 634 | H | 95.4 | Very high | 95.9 | Very high | 45 Ų | 45 | 45.6 Ų | 45.6 | 21% | 0.208 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70 | -40.4 | 175.6 | -60 | 175.7 | 0 | 0 | 0 | 110.9 | L626 N631 Y632 M636 I637 C638 | L626-H634 HydrophobicContact CD2-CB 4.2Å; N631-H634 WeakPolarHBondContact O-CB 3.29Å; N631-H634 PolarHBondContact O-N 3.04Å; Y632-H634 VanDerWaalsContact C-N 3.27Å; Y632-H634 PolarHBondContact O-N 3.32Å; H634-M636 VanDerWaalsContact C-N 3.3Å; H634-M636 PolarHBondContact O-N 2.75Å; H634-I637 WeakPolarHBondContact O-CG2 3.4Å; H634-I637 PolarHBondContact O-N 3.24Å; H634-C638 WeakPolarHBondContact O-CB 3.45Å; H634-C638 PolarHBondContact O-N 2.82Å |
| 635 | R | 97.1 | Very high | 95.9 | Very high | 32 Ų | 32 | 44.2 Ų | 44.2 | 12% | 0.121 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.6 | -36.9 | 174.4 | -59.6 | -162.3 | -56.8 | -82.5 | 5.1 | 111.3 | S627 G629 E630 N631 Y632 C638 L639 M665 D668 I673 | S627-R635 VanDerWaalsContact O-CD 3.26Å; S627-R635 WeakPolarHBondContact O-CD 3.37Å; G629-R635 VanDerWaalsContact O-CD 3.27Å; G629-R635 WeakPolarHBondContact O-CD 3.22Å; G629-R635 VanDerWaalsContact O-CG 3.3Å; G629-R635 WeakPolarHBondContact O-CG 3.49Å; G629-R635 PolarHBondContact O-NH1 2.91Å; E630-R635 VanDerWaalsContact C-NH1 3.32Å; E630-R635 PolarHBondContact O-NH1 3.11Å; N631-R635 PolarHBondContact O-N 3.09Å; Y632-R635 PolarHBondContact O-N 2.95Å; R635-C638 WeakPolarHBondContact O-CB 3.34Å; R635-C638 PolarHBondContact O-N 3.19Å; R635-L639 PolarHBondContact O-N 3.19Å; R635-M665 HydrophobicContact CB-CE 3.7Å; R635-M665 HydrophobicContact CG-CE 4.4Å; R635-M665 WeakPolarHBondContact O-CE 3.43Å; R635-D668 WeakPolarHBondContact CD-OD2 3.28Å; R635-D668 IonicContact CZ-OD1 2.75Å; R635-D668 IonicContact CZ-OD2 2.66Å; R635-D668 IonicContact NE-OD1 3Å; R635-D668 IonicContact NE-OD2 3.37Å; R635-D668 PolarHBondContact NE-OD2 3.01Å; R635-D668 IonicContact NH2-OD1 3.83Å; R635-D668 PolarHBondContact NH2-OD1 3.08Å; R635-D668 IonicContact NH2-OD2 3.42Å; R635-D668 PolarHBondContact NH2-OD2 3.1Å; R635-I673 HydrophobicContact CB-CD1 3.79Å |
| 636 | M | 96.4 | Very high | 95.9 | Very high | 37 Ų | 37 | 38.9 Ų | 38.9 | 18% | 0.182 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64 | -49.8 | 177 | -167.3 | 64.7 | 70.4 | 0 | 0 | 111.7 | Y632 L633 H634 C638 L639 Q640 N672 I673 K676 | Y632-M636 WeakPolarHBondContact O-CB 3.01Å; Y632-M636 PolarHBondContact O-N 3.32Å; L633-M636 WeakPolarHBondContact O-CB 3.35Å; L633-M636 PolarHBondContact O-N 3.48Å; H634-M636 VanDerWaalsContact C-N 3.3Å; H634-M636 PolarHBondContact O-N 2.75Å; M636-C638 VanDerWaalsContact C-N 3.27Å; M636-C638 PolarHBondContact O-N 3.22Å; M636-L639 PolarHBondContact O-N 2.72Å; M636-L639 VanDerWaalsContact O-N 3.16Å; M636-Q640 PolarHBondContact O-N 3.08Å; M636-N672 VanDerWaalsContact CE-C 3.48Å; M636-N672 HydrophobicContact CE-CB 3.29Å; M636-I673 VanDerWaalsContact CA-CD1 3.48Å; M636-I673 HydrophobicContact CB-CD1 3.78Å; M636-I673 HydrophobicContact CE-CD1 3.51Å; M636-I673 HydrophobicContact CE-CG1 4.1Å; M636-I673 HydrophobicContact CG-CD1 4.47Å; M636-I673 VanDerWaalsContact N-CD1 3.26Å; M636-I673 HydrophobicContact SD-CD1 3.91Å; M636-K676 HydrophobicContact SD-CB 3.89Å; M636-K676 HydrophobicContact SD-CD 4Å; M636-K676 HydrophobicContact SD-CG 3.83Å |
| 637 | I | 96.7 | Very high | 95.8 | Very high | 6 Ų | 6 | 44.5 Ų | 44.5 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.4 | -28.2 | -178.3 | -159 | 66.6 | 0 | 0 | 0 | 111.7 | L588 R596 V600 L626 L633 H634 L639 Q640 S641 | L588-I637 HydrophobicContact CD2-CG1 4.22Å; L588-I637 WeakPolarHBondContact O-CG2 3.28Å; R596-I637 HydrophobicContact CB-CD1 3.66Å; R596-I637 HydrophobicContact CB-CG1 4.03Å; V600-I637 HydrophobicContact CG2-CD1 3.67Å; V600-I637 HydrophobicContact CG2-CG1 3.92Å; L626-I637 HydrophobicContact CD1-CG2 4.04Å; L633-I637 PolarHBondContact O-N 3.05Å; H634-I637 WeakPolarHBondContact O-CG2 3.4Å; H634-I637 PolarHBondContact O-N 3.24Å; I637-L639 PolarHBondContact O-N 3.36Å; I637-Q640 HydrophobicContact CD1-CB 4.13Å; I637-Q640 HydrophobicContact CD1-CG 4.28Å; I637-Q640 PolarHBondContact O-N 2.78Å; I637-S641 WeakPolarHBondContact O-CB 3.26Å; I637-S641 PolarHBondContact O-N 3.43Å; I637-S641 PolarHBondContact O-OG 2.93Å |
| 638 | C | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.5 | -52 | 168.3 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | I623 L626 H634 R635 M636 S641 I642 | I623-C638 PolarHBondContact O-SG 3.24Å; L626-C638 HydrophobicContact CB-CB 3.91Å; H634-C638 WeakPolarHBondContact O-CB 3.45Å; H634-C638 PolarHBondContact O-N 2.82Å; R635-C638 WeakPolarHBondContact O-CB 3.34Å; R635-C638 PolarHBondContact O-N 3.19Å; M636-C638 VanDerWaalsContact C-N 3.27Å; M636-C638 PolarHBondContact O-N 3.22Å; C638-S641 WeakPolarHBondContact O-CB 2.98Å; C638-S641 PolarHBondContact O-N 3.1Å; C638-I642 WeakPolarHBondContact O-CG1 3.46Å; C638-I642 PolarHBondContact O-N 3.29Å |
| 639 | L | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.9 | -39.6 | 179.8 | -69 | 170.5 | 0 | 0 | 0 | 112.2 | R635 M636 I637 S641 I642 I643 V662 M665 I673 K676 V677 A680 | R635-L639 PolarHBondContact O-N 3.19Å; M636-L639 PolarHBondContact O-N 2.72Å; M636-L639 VanDerWaalsContact O-N 3.16Å; I637-L639 PolarHBondContact O-N 3.36Å; L639-S641 VanDerWaalsContact C-N 3.34Å; L639-S641 PolarHBondContact O-N 3.24Å; L639-I642 PolarHBondContact O-N 3.49Å; L639-I643 WeakPolarHBondContact O-CD1 3.35Å; L639-I643 WeakPolarHBondContact O-CG1 3.49Å; L639-I643 PolarHBondContact O-N 2.84Å; L639-V662 HydrophobicContact CD2-CG1 4.41Å; L639-V662 HydrophobicContact CD2-CG2 4.04Å; L639-M665 HydrophobicContact CD1-CE 3.9Å; L639-M665 HydrophobicContact CD1-SD 4.36Å; L639-M665 HydrophobicContact CD2-CE 4.32Å; L639-M665 HydrophobicContact CD2-SD 3.73Å; L639-M665 HydrophobicContact CG-CE 3.85Å; L639-M665 HydrophobicContact CG-SD 3.91Å; L639-I673 HydrophobicContact CD1-CG2 3.74Å; L639-I673 WeakPolarHBondContact CD1-O 3.47Å; L639-K676 HydrophobicContact CB-CB 4.28Å; L639-K676 HydrophobicContact CB-CG 3.59Å; L639-K676 HydrophobicContact CD1-CB 3.77Å; L639-K676 HydrophobicContact CD1-CG 4.03Å; L639-K676 HydrophobicContact CG-CG 4.47Å; L639-V677 HydrophobicContact CD1-CG2 3.73Å; L639-V677 HydrophobicContact CD2-CG2 4Å; L639-A680 HydrophobicContact CD2-CB 4.29Å |
| 640 | Q | 97.7 | Very high | 96.1 | Very high | 37 Ų | 37 | 37.5 Ų | 37.5 | 17% | 0.173 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.5 | -40.4 | 174.2 | -176.1 | 60.6 | 31.2 | 0 | 0 | 112.3 | V600 M636 I637 I642 I643 S644 | V600-Q640 HydrophobicContact CG2-CG 4.4Å; M636-Q640 PolarHBondContact O-N 3.08Å; I637-Q640 HydrophobicContact CD1-CB 4.13Å; I637-Q640 HydrophobicContact CD1-CG 4.28Å; I637-Q640 PolarHBondContact O-N 2.78Å; Q640-I642 VanDerWaalsContact C-N 3.33Å; Q640-I643 PolarHBondContact O-N 3.33Å; Q640-S644 PolarHBondContact O-N 3.33Å; Q640-S644 VanDerWaalsContact O-N 3.12Å; Q640-S644 PolarHBondContact O-OG 3.24Å |
| 641 | S | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.8 | -43.7 | 174.9 | -56 | 0 | 0 | 0 | 0 | 110.5 | V600 I637 C638 L639 S644 L645 | V600-S641 WeakPolarHBondContact CG2-OG 3.48Å; I637-S641 WeakPolarHBondContact O-CB 3.26Å; I637-S641 PolarHBondContact O-N 3.43Å; I637-S641 PolarHBondContact O-OG 2.93Å; C638-S641 WeakPolarHBondContact O-CB 2.98Å; C638-S641 PolarHBondContact O-N 3.1Å; L639-S641 VanDerWaalsContact C-N 3.34Å; L639-S641 PolarHBondContact O-N 3.24Å; S641-S644 PolarHBondContact O-N 2.91Å; S641-L645 VanDerWaalsContact O-CB 3.24Å; S641-L645 WeakPolarHBondContact O-CB 3.5Å; S641-L645 VanDerWaalsContact O-CG 3.32Å; S641-L645 WeakPolarHBondContact O-CG 3.35Å; S641-L645 PolarHBondContact O-N 3.3Å |
| 642 | I | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63 | -46.4 | 177.3 | -68.7 | 167.9 | 0 | 0 | 0 | 111.3 | I623 C638 L639 Q640 S644 L645 C646 L658 T661 V662 L684 | I623-I642 HydrophobicContact CG2-CG1 4.33Å; C638-I642 WeakPolarHBondContact O-CG1 3.46Å; C638-I642 PolarHBondContact O-N 3.29Å; L639-I642 PolarHBondContact O-N 3.49Å; Q640-I642 VanDerWaalsContact C-N 3.33Å; I642-S644 PolarHBondContact O-N 3.45Å; I642-L645 PolarHBondContact O-N 3.47Å; I642-C646 VanDerWaalsContact O-CB 3.28Å; I642-C646 WeakPolarHBondContact O-CB 3.48Å; I642-C646 PolarHBondContact O-N 3.45Å; I642-C646 PolarHBondContact O-SG 3.29Å; I642-L658 HydrophobicContact CG1-CD2 4.27Å; I642-L658 HydrophobicContact CG2-CB 4Å; I642-L658 HydrophobicContact CG2-CD1 4.29Å; I642-T661 HydrophobicContact CD1-CG2 4.06Å; I642-V662 HydrophobicContact CB-CG2 4.44Å; I642-V662 HydrophobicContact CD1-CG2 3.8Å; I642-V662 HydrophobicContact CG2-CG2 3.7Å; I642-L684 HydrophobicContact CG2-CD1 4.02Å; I642-L684 HydrophobicContact CG2-CG 4.35Å |
| 643 | I | 97.4 | Very high | 96.3 | Very high | 12 Ų | 12 | 28.5 Ų | 28.5 | 6% | 0.062 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -55.1 | -37.8 | 176.7 | -75.4 | 159.5 | 0 | 0 | 0 | 111.7 | L639 Q640 C646 K647 K676 Q679 A680 N683 | L639-I643 WeakPolarHBondContact O-CD1 3.35Å; L639-I643 WeakPolarHBondContact O-CG1 3.49Å; L639-I643 PolarHBondContact O-N 2.84Å; Q640-I643 PolarHBondContact O-N 3.33Å; I643-C646 PolarHBondContact O-SG 3.02Å; I643-K647 WeakPolarHBondContact O-CE 3.36Å; I643-K676 HydrophobicContact CD1-CD 4.21Å; I643-K676 HydrophobicContact CD1-CG 4.21Å; I643-Q679 HydrophobicContact CD1-CB 4.04Å; I643-A680 HydrophobicContact CD1-CB 4.13Å; I643-A680 VanDerWaalsContact CG1-CA 3.49Å; I643-A680 HydrophobicContact CG1-CB 3.74Å; I643-N683 HydrophobicContact CG2-CB 4.49Å |
| 644 | S | 97.1 | Very high | 96.3 | Very high | 14 Ų | 14 | 26.7 Ų | 26.7 | 10% | 0.098 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -86.4 | -44.2 | -175 | -50.8 | 0 | 0 | 0 | 0 | 111.5 | V600 Q640 S641 I642 K647 | V600-S644 WeakPolarHBondContact CG1-OG 3.25Å; Q640-S644 PolarHBondContact O-N 3.33Å; Q640-S644 VanDerWaalsContact O-N 3.12Å; Q640-S644 PolarHBondContact O-OG 3.24Å; S641-S644 PolarHBondContact O-N 2.91Å; I642-S644 PolarHBondContact O-N 3.45Å; S644-K647 PolarHBondContact O-N 3.05Å |
| 645 | L | 96.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -71.6 | -29.7 | -178.5 | -72.6 | 170.1 | 0 | 0 | 0 | 113.3 | L603 V604 C607 I620 I623 S641 I642 K647 V648 V649 | L603-L645 HydrophobicContact CB-CD2 4.45Å; V604-L645 HydrophobicContact CG2-CD2 3.95Å; V604-L645 HydrophobicContact CG2-CG 4.33Å; C607-L645 HydrophobicContact CB-CD2 4.21Å; I620-L645 HydrophobicContact CD1-CD1 4.17Å; I623-L645 HydrophobicContact CD1-CD1 3.25Å; S641-L645 VanDerWaalsContact O-CB 3.24Å; S641-L645 WeakPolarHBondContact O-CB 3.5Å; S641-L645 VanDerWaalsContact O-CG 3.32Å; S641-L645 WeakPolarHBondContact O-CG 3.35Å; S641-L645 PolarHBondContact O-N 3.3Å; I642-L645 PolarHBondContact O-N 3.47Å; L645-K647 PolarHBondContact O-N 2.94Å; L645-V648 HydrophobicContact CD2-CG2 4.12Å; L645-V648 VanDerWaalsContact O-CG2 3.3Å; L645-V648 WeakPolarHBondContact O-CG2 3.48Å; L645-V648 PolarHBondContact O-N 3.14Å; L645-V649 HydrophobicContact CB-CG1 4.44Å; L645-V649 WeakPolarHBondContact O-CG2 3.29Å; L645-V649 PolarHBondContact O-N 3.41Å |
| 646 | C | 96.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -18.6 | 178.3 | 74 | 0 | 0 | 0 | 0 | 113.1 | I642 I643 V648 L658 L684 Q687 | I642-C646 VanDerWaalsContact O-CB 3.28Å; I642-C646 WeakPolarHBondContact O-CB 3.48Å; I642-C646 PolarHBondContact O-N 3.45Å; I642-C646 PolarHBondContact O-SG 3.29Å; I643-C646 PolarHBondContact O-SG 3.02Å; C646-V648 VanDerWaalsContact C-N 3.34Å; C646-L658 HydrophobicContact CB-CD1 4.29Å; C646-L684 HydrophobicContact CB-CD2 3.57Å; C646-L684 HydrophobicContact CB-CG 4.28Å; C646-Q687 VanDerWaalsContact O-CG 3.29Å; C646-Q687 WeakPolarHBondContact O-CG 3.41Å |
| 647 | K | 94.7 | Very high | 96.1 | Very high | 132 Ų | 132 | 32.5 Ų | 32.5 | 57% | 0.574 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -15.1 | 176.7 | -57.8 | 176.6 | -176.4 | 176 | 0 | 113.3 | I643 S644 L645 N683 | I643-K647 WeakPolarHBondContact O-CE 3.36Å; S644-K647 PolarHBondContact O-N 3.05Å; L645-K647 PolarHBondContact O-N 2.94Å; K647-N683 WeakPolarHBondContact CE-OD1 3.47Å |
| 648 | V | 95.1 | Very high | 96.2 | Very high | 40 Ų | 40 | 32.2 Ų | 32.2 | 24% | 0.242 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.1 | -20.3 | -173.4 | -63.3 | 0 | 0 | 0 | 0 | 114.5 | V604 C607 K608 L645 C646 | V604-V648 HydrophobicContact CG1-CG1 3.94Å; V604-V648 HydrophobicContact CG1-CG2 4.2Å; C607-V648 HydrophobicContact CB-CG2 4.08Å; K608-V648 HydrophobicContact CD-CG1 4.26Å; K608-V648 HydrophobicContact CG-CB 4.29Å; K608-V648 HydrophobicContact CG-CG1 3.74Å; L645-V648 HydrophobicContact CD2-CG2 4.12Å; L645-V648 VanDerWaalsContact O-CG2 3.3Å; L645-V648 WeakPolarHBondContact O-CG2 3.48Å; L645-V648 PolarHBondContact O-N 3.14Å; C646-V648 VanDerWaalsContact C-N 3.34Å |
| 649 | V | 96.1 | Very high | 96.1 | Very high | 6 Ų | 6 | 32.2 Ų | 32.2 | 4% | 0.036 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -85.8 | 161.2 | 172.5 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | A615 L645 I653 C654 L658 | A615-V649 HydrophobicContact CB-CG1 4.48Å; L645-V649 HydrophobicContact CB-CG1 4.44Å; L645-V649 WeakPolarHBondContact O-CG2 3.29Å; L645-V649 PolarHBondContact O-N 3.41Å; V649-I653 HydrophobicContact CB-CB 4.36Å; V649-I653 HydrophobicContact CB-CD1 4.43Å; V649-I653 HydrophobicContact CB-CG2 4.2Å; V649-I653 HydrophobicContact CG2-CB 4.28Å; V649-I653 HydrophobicContact CG2-CG2 4.01Å; V649-C654 VanDerWaalsContact CG2-SG 3.57Å; V649-L658 HydrophobicContact CG2-CD1 3.94Å |
| 650 | S | 95 | Very high | 96.1 | Very high | 33 Ų | 33 | 35.1 Ų | 35.1 | 23% | 0.231 | 19% | 0.189 | C | C | . | . | trans | -68.6 | 151.3 | -178.4 | 68.7 | 0 | 0 | 0 | 0 | 112.3 | T652 I653 C654 | S650-T652 PolarHBondContact O-N 3.2Å; S650-T652 VanDerWaalsContact O-N 3.12Å; S650-I653 PolarHBondContact O-N 3.35Å; S650-I653 PolarHBondContact OG-N 2.99Å; S650-C654 PolarHBondContact O-N 3.44Å; S650-C654 VanDerWaalsContact O-N 3.07Å | ||
| 651 | P | 94.1 | Very high | 96.1 | Very high | 66 Ų | 66 | 33.9 Ų | 33.9 | 43% | 0.429 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -50.1 | -36 | 171.9 | -31.4 | 36.9 | 0 | 0 | 0 | 113.5 | I653 C654 C655 Q687 | P651-I653 PolarHBondContact O-N 3.27Å; P651-C654 WeakPolarHBondContact O-CB 3.38Å; P651-C654 PolarHBondContact O-N 3.32Å; P651-C655 PolarHBondContact O-N 3.04Å; P651-C655 PolarHBondContact O-SG 3.06Å; P651-C655 VanDerWaalsContact O-SG 3.35Å; P651-Q687 WeakPolarHBondContact CB-O 3.46Å |
| 652 | T | 95.2 | Very high | 96.1 | Very high | 94 Ų | 94 | 33.9 Ų | 33.9 | 58% | 0.577 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -60.2 | -46.4 | 176.8 | -49.9 | 0 | 0 | 0 | 0 | 112 | S650 C655 Q656 | S650-T652 PolarHBondContact O-N 3.2Å; S650-T652 VanDerWaalsContact O-N 3.12Å; T652-C655 PolarHBondContact O-N 3.29Å; T652-Q656 WeakPolarHBondContact O-CB 3.22Å; T652-Q656 PolarHBondContact O-N 3.08Å |
| 653 | I | 94.4 | Very high | 96 | Very high | 5 Ų | 5 | 35.2 Ų | 35.2 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.2 | -39.8 | 177.6 | -68.6 | 162.4 | 0 | 0 | 0 | 110.5 | S612 I620 V649 S650 P651 C655 Q656 Y657 L658 | S612-I653 VanDerWaalsContact O-CD1 3.25Å; S612-I653 WeakPolarHBondContact O-CD1 3.49Å; I620-I653 HydrophobicContact CG1-CG2 4.25Å; V649-I653 HydrophobicContact CB-CB 4.36Å; V649-I653 HydrophobicContact CB-CD1 4.43Å; V649-I653 HydrophobicContact CB-CG2 4.2Å; V649-I653 HydrophobicContact CG2-CB 4.28Å; V649-I653 HydrophobicContact CG2-CG2 4.01Å; S650-I653 PolarHBondContact O-N 3.35Å; S650-I653 PolarHBondContact OG-N 2.99Å; P651-I653 PolarHBondContact O-N 3.27Å; I653-C655 PolarHBondContact O-N 3.14Å; I653-Q656 PolarHBondContact O-N 3.32Å; I653-Y657 HydrophobicContact CG2-CD2 4.19Å; I653-Y657 WeakPolarHBondContact O-CB 3.47Å; I653-Y657 PolarHBondContact O-N 3.3Å; I653-L658 PolarHBondContact O-N 3.47Å |
| 654 | C | 95.8 | Very high | 96 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -55.6 | -51.9 | 174.2 | -71.1 | 0 | 0 | 0 | 0 | 111.4 | V649 S650 P651 L658 L659 L684 Q687 | V649-C654 VanDerWaalsContact CG2-SG 3.57Å; S650-C654 PolarHBondContact O-N 3.44Å; S650-C654 VanDerWaalsContact O-N 3.07Å; P651-C654 WeakPolarHBondContact O-CB 3.38Å; P651-C654 PolarHBondContact O-N 3.32Å; C654-L658 PolarHBondContact O-N 3.44Å; C654-L659 WeakPolarHBondContact O-CB 3.46Å; C654-L659 PolarHBondContact O-N 3.4Å; C654-L684 HydrophobicContact CB-CD2 4Å; C654-Q687 HydrophobicContact CB-CB 4.12Å |
| 655 | C | 94.6 | Very high | 96 | Very high | 40 Ų | 40 | 37.9 Ų | 37.9 | 27% | 0.27 | 21% | 0.21 | S | C | . | . | I | π-helix | trans | -66.5 | -42.6 | 179.5 | -68.8 | 0 | 0 | 0 | 0 | 112.9 | P651 T652 I653 P660 L688 | P651-C655 PolarHBondContact O-N 3.04Å; P651-C655 PolarHBondContact O-SG 3.06Å; P651-C655 VanDerWaalsContact O-SG 3.35Å; T652-C655 PolarHBondContact O-N 3.29Å; I653-C655 PolarHBondContact O-N 3.14Å; C655-P660 VanDerWaalsContact O-CD 3.28Å; C655-P660 WeakPolarHBondContact O-CD 3.44Å; C655-L688 HydrophobicContact CB-CD2 4.48Å; C655-L688 WeakPolarHBondContact SG-CD2 3.48Å |
| 656 | Q | 94.4 | Very high | 96 | Very high | 111 Ų | 111 | 39.1 Ų | 39.1 | 52% | 0.519 | 22% | 0.216 | S | C | . | . | I | π-helix | trans | -77.2 | -33.9 | -171.4 | -175.4 | 175.3 | -6.3 | 0 | 0 | 113.2 | T652 I653 | T652-Q656 WeakPolarHBondContact O-CB 3.22Å; T652-Q656 PolarHBondContact O-N 3.08Å; I653-Q656 PolarHBondContact O-N 3.32Å |
| 657 | Y | 95.8 | Very high | 95.9 | Very high | 85 Ų | 85 | 43.8 Ų | 43.8 | 33% | 0.333 | 24% | 0.244 | S | C | . | . | I | π-helix | trans | -126.4 | -46.5 | -166.9 | -65.3 | -65.9 | 0 | 0 | 0 | 113.6 | I620 I624 I653 T661 | I620-Y657 HydrophobicContact CG2-CG 4.21Å; I624-Y657 HydrophobicContact CD1-CD1 4.37Å; I653-Y657 HydrophobicContact CG2-CD2 4.19Å; I653-Y657 WeakPolarHBondContact O-CB 3.47Å; I653-Y657 PolarHBondContact O-N 3.3Å; Y657-T661 WeakPolarHBondContact O-CB 3.42Å; Y657-T661 PolarHBondContact O-OG1 3.19Å |
| 658 | L | 97.3 | Very high | 96 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -77.8 | -49.4 | -172.9 | -51.3 | -170.1 | 0 | 0 | 0 | 112.1 | I620 I642 C646 V649 I653 C654 T661 V662 L684 | I620-L658 HydrophobicContact CD1-CD2 3.88Å; I620-L658 HydrophobicContact CG2-CD2 4.2Å; I642-L658 HydrophobicContact CG1-CD2 4.27Å; I642-L658 HydrophobicContact CG2-CB 4Å; I642-L658 HydrophobicContact CG2-CD1 4.29Å; C646-L658 HydrophobicContact CB-CD1 4.29Å; V649-L658 HydrophobicContact CG2-CD1 3.94Å; I653-L658 PolarHBondContact O-N 3.47Å; C654-L658 PolarHBondContact O-N 3.44Å; L658-T661 WeakPolarHBondContact O-CB 3.36Å; L658-T661 PolarHBondContact O-N 2.94Å; L658-T661 VanDerWaalsContact O-N 3.14Å; L658-V662 WeakPolarHBondContact O-CG2 3.34Å; L658-V662 PolarHBondContact O-N 3.18Å; L658-L684 HydrophobicContact CB-CD2 4.17Å; L658-L684 HydrophobicContact CD1-CD2 4.5Å |
| 659 | L | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.8 | -51.3 | 180 | 171.3 | 67.4 | 0 | 0 | 0 | 112.1 | C654 T661 V662 L663 L681 L688 N692 V697 | C654-L659 WeakPolarHBondContact O-CB 3.46Å; C654-L659 PolarHBondContact O-N 3.4Å; L659-T661 PolarHBondContact O-N 3.46Å; L659-V662 PolarHBondContact O-N 3.29Å; L659-L663 HydrophobicContact CD1-CD1 3.78Å; L659-L663 HydrophobicContact CD1-CD2 4.3Å; L659-L663 HydrophobicContact CD1-CG 3.83Å; L659-L663 HydrophobicContact CG-CD1 3.82Å; L659-L663 HydrophobicContact CG-CG 4.3Å; L659-L663 VanDerWaalsContact O-CG 3.29Å; L659-L663 WeakPolarHBondContact O-CG 3.42Å; L659-L663 PolarHBondContact O-N 2.6Å; L659-L681 HydrophobicContact CD1-CD2 3.92Å; L659-L688 HydrophobicContact CB-CD2 4.41Å; L659-L688 HydrophobicContact CD1-CD1 3.98Å; L659-L688 HydrophobicContact CD2-CD1 3.93Å; L659-L688 HydrophobicContact CD2-CD2 3.91Å; L659-L688 HydrophobicContact CG-CD1 4.43Å; L659-N692 HydrophobicContact CD2-CB 4.24Å; L659-V697 HydrophobicContact CD1-CG2 3.98Å |
| 660 | P | 96.9 | Very high | 96.1 | Very high | 60 Ų | 60 | 45.6 Ų | 45.6 | 39% | 0.39 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -56.8 | -34.6 | 176.6 | -28.1 | 36.4 | 0 | 0 | 0 | 113.3 | C655 S664 | C655-P660 VanDerWaalsContact O-CD 3.28Å; C655-P660 WeakPolarHBondContact O-CD 3.44Å; P660-S664 PolarHBondContact O-N 3.27Å; P660-S664 VanDerWaalsContact O-N 3.12Å |
| 661 | T | 97.6 | Very high | 96.2 | Very high | 11 Ų | 11 | 45.9 Ų | 45.9 | 7% | 0.067 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.8 | -49 | 178.6 | -59.6 | 0 | 0 | 0 | 0 | 110.8 | I624 I642 Y657 L658 L659 L663 S664 M665 | I624-T661 HydrophobicContact CG1-CG2 4.32Å; I624-T661 WeakPolarHBondContact CG1-OG1 3.37Å; I624-T661 HydrophobicContact CG2-CG2 4.32Å; I642-T661 HydrophobicContact CD1-CG2 4.06Å; Y657-T661 WeakPolarHBondContact O-CB 3.42Å; Y657-T661 PolarHBondContact O-OG1 3.19Å; L658-T661 WeakPolarHBondContact O-CB 3.36Å; L658-T661 PolarHBondContact O-N 2.94Å; L658-T661 VanDerWaalsContact O-N 3.14Å; L659-T661 PolarHBondContact O-N 3.46Å; T661-L663 VanDerWaalsContact C-N 3.34Å; T661-L663 PolarHBondContact O-N 2.98Å; T661-S664 WeakPolarHBondContact O-CB 3.38Å; T661-S664 PolarHBondContact O-N 3.05Å; T661-S664 VanDerWaalsContact O-N 3.1Å; T661-S664 PolarHBondContact O-OG 3.47Å; T661-M665 HydrophobicContact CG2-SD 4.47Å; T661-M665 WeakPolarHBondContact O-CG 3.45Å |
| 662 | V | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.3 | -45.4 | 176.4 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | L639 I642 L658 L659 S664 M665 V677 A680 L681 L684 | L639-V662 HydrophobicContact CD2-CG1 4.41Å; L639-V662 HydrophobicContact CD2-CG2 4.04Å; I642-V662 HydrophobicContact CB-CG2 4.44Å; I642-V662 HydrophobicContact CD1-CG2 3.8Å; I642-V662 HydrophobicContact CG2-CG2 3.7Å; L658-V662 WeakPolarHBondContact O-CG2 3.34Å; L658-V662 PolarHBondContact O-N 3.18Å; L659-V662 PolarHBondContact O-N 3.29Å; V662-S664 PolarHBondContact O-N 3.12Å; V662-M665 PolarHBondContact O-N 3.32Å; V662-M665 VanDerWaalsContact O-N 3.08Å; V662-V677 HydrophobicContact CG1-CB 4.43Å; V662-V677 HydrophobicContact CG1-CG1 3.79Å; V662-A680 HydrophobicContact CG1-CB 3.9Å; V662-A680 HydrophobicContact CG2-CB 3.93Å; V662-L681 HydrophobicContact CB-CD2 4.4Å; V662-L681 HydrophobicContact CG1-CD2 3.63Å; V662-L681 HydrophobicContact CG1-CG 3.71Å; V662-L684 HydrophobicContact CB-CD1 4.33Å; V662-L684 HydrophobicContact CG2-CD1 3.79Å |
| 663 | L | 97.3 | Very high | 96.4 | Very high | 29 Ų | 29 | 41.7 Ų | 41.7 | 15% | 0.152 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.1 | -27.1 | 178 | -67.7 | 172.7 | 0 | 0 | 0 | 112.6 | L659 T661 M665 H666 L681 E696 C700 | L659-L663 HydrophobicContact CD1-CD1 3.78Å; L659-L663 HydrophobicContact CD1-CD2 4.3Å; L659-L663 HydrophobicContact CD1-CG 3.83Å; L659-L663 HydrophobicContact CG-CD1 3.82Å; L659-L663 HydrophobicContact CG-CG 4.3Å; L659-L663 VanDerWaalsContact O-CG 3.29Å; L659-L663 WeakPolarHBondContact O-CG 3.42Å; L659-L663 PolarHBondContact O-N 2.6Å; T661-L663 VanDerWaalsContact C-N 3.34Å; T661-L663 PolarHBondContact O-N 2.98Å; L663-M665 VanDerWaalsContact C-N 3.29Å; L663-M665 PolarHBondContact O-N 3.42Å; L663-H666 PolarHBondContact O-CE1 3.36Å; L663-H666 PolarHBondContact O-ND1 3.22Å; L663-L681 HydrophobicContact CD2-CD2 4.07Å; L663-E696 HydrophobicContact CD1-CB 3.8Å; L663-E696 HydrophobicContact CD1-CG 4.4Å; L663-E696 VanDerWaalsContact CD1-OE2 3.26Å; L663-E696 WeakPolarHBondContact CD1-OE2 3.34Å; L663-C700 HydrophobicContact CD2-CB 3.6Å |
| 664 | S | 96.1 | Very high | 96.5 | Very high | 74 Ų | 74 | 43.2 Ų | 43.2 | 52% | 0.517 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -74.5 | -16.3 | 177.3 | 76.5 | 0 | 0 | 0 | 0 | 114.1 | P660 T661 V662 | P660-S664 PolarHBondContact O-N 3.27Å; P660-S664 VanDerWaalsContact O-N 3.12Å; T661-S664 WeakPolarHBondContact O-CB 3.38Å; T661-S664 PolarHBondContact O-N 3.05Å; T661-S664 VanDerWaalsContact O-N 3.1Å; T661-S664 PolarHBondContact O-OG 3.47Å; V662-S664 PolarHBondContact O-N 3.12Å |
| 665 | M | 97.5 | Very high | 96.6 | Very high | 7 Ų | 7 | 44.7 Ų | 44.7 | 3% | 0.034 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -2.2 | -170.8 | -62.5 | 177.1 | 74.2 | 0 | 0 | 114.5 | S627 R635 L639 T661 V662 L663 T667 D668 I673 V677 | S627-M665 VanDerWaalsContact CB-SD 3.51Å; R635-M665 HydrophobicContact CB-CE 3.7Å; R635-M665 HydrophobicContact CG-CE 4.4Å; R635-M665 WeakPolarHBondContact O-CE 3.43Å; L639-M665 HydrophobicContact CD1-CE 3.9Å; L639-M665 HydrophobicContact CD1-SD 4.36Å; L639-M665 HydrophobicContact CD2-CE 4.32Å; L639-M665 HydrophobicContact CD2-SD 3.73Å; L639-M665 HydrophobicContact CG-CE 3.85Å; L639-M665 HydrophobicContact CG-SD 3.91Å; T661-M665 HydrophobicContact CG2-SD 4.47Å; T661-M665 WeakPolarHBondContact O-CG 3.45Å; V662-M665 PolarHBondContact O-N 3.32Å; V662-M665 VanDerWaalsContact O-N 3.08Å; L663-M665 VanDerWaalsContact C-N 3.29Å; L663-M665 PolarHBondContact O-N 3.42Å; M665-T667 PolarHBondContact O-N 3.01Å; M665-D668 WeakPolarHBondContact O-CB 3.48Å; M665-D668 PolarHBondContact O-N 3.16Å; M665-D668 VanDerWaalsContact O-N 3.16Å; M665-I673 HydrophobicContact CE-CG2 4Å; M665-V677 HydrophobicContact CB-CG2 3.74Å |
| 666 | H | 95.9 | Very high | 96.8 | Very high | 27 Ų | 27 | 44.3 Ų | 44.3 | 13% | 0.125 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -18 | -175.4 | 73.5 | -73.7 | 0 | 0 | 0 | 114.8 | L663 R674 V677 C700 R703 L704 | L663-H666 PolarHBondContact O-CE1 3.36Å; L663-H666 PolarHBondContact O-ND1 3.22Å; H666-R674 WeakPolarHBondContact O-CD 3.43Å; H666-R674 WeakPolarHBondContact O-CG 3.43Å; H666-V677 HydrophobicContact CB-CG1 4.05Å; H666-C700 WeakPolarHBondContact CB-SG 3.37Å; H666-R703 PolarHBondContact CE1-NH1 3.24Å; H666-R703 PolarHBondContact NE2-NH1 2.81Å; H666-R703 PolarHBondContact NE2-NH2 3.12Å; H666-L704 HydrophobicContact CB-CD2 4.23Å |
| 667 | T | 95.4 | Very high | 96.9 | Very high | 98 Ų | 98 | 39 Ų | 39 | 60% | 0.601 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 20.7 | 175.2 | 60.2 | 0 | 0 | 0 | 0 | 112.9 | M665 | M665-T667 PolarHBondContact O-N 3.01Š|
| 668 | D | 97.4 | Very high | 97 | Very high | 23 Ų | 23 | 35 Ų | 35 | 12% | 0.123 | 20% | 0.197 | C | C | . | . | trans | -61.6 | 142.7 | 178 | -158.3 | -75.5 | 0 | 0 | 0 | 111.2 | R635 M665 V670 I673 R674 | R635-D668 WeakPolarHBondContact CD-OD2 3.28Å; R635-D668 IonicContact CZ-OD1 2.75Å; R635-D668 IonicContact CZ-OD2 2.66Å; R635-D668 IonicContact NE-OD1 3Å; R635-D668 IonicContact NE-OD2 3.37Å; R635-D668 PolarHBondContact NE-OD2 3.01Å; R635-D668 IonicContact NH2-OD1 3.83Å; R635-D668 PolarHBondContact NH2-OD1 3.08Å; R635-D668 IonicContact NH2-OD2 3.42Å; R635-D668 PolarHBondContact NH2-OD2 3.1Å; M665-D668 WeakPolarHBondContact O-CB 3.48Å; M665-D668 PolarHBondContact O-N 3.16Å; M665-D668 VanDerWaalsContact O-N 3.16Å; D668-V670 PolarHBondContact O-N 3.12Å; D668-V670 WeakPolarHBondContact OD1-CB 3.38Å; D668-V670 PolarHBondContact OD1-N 3.37Å; D668-I673 HydrophobicContact CB-CB 3.8Å; D668-I673 HydrophobicContact CB-CG2 3.53Å; D668-R674 HydrophobicContact CB-CG 4.24Å; D668-R674 WeakPolarHBondContact O-CD 3.19Å; D668-R674 WeakPolarHBondContact O-CG 3.49Å; D668-R674 PolarHBondContact O-NE 2.8Å | ||
| 669 | N | 95.4 | Very high | 97.1 | Very high | 156 Ų | 156 | 36.9 Ų | 36.9 | 83% | 0.834 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -67.4 | -20.9 | 178.9 | -64.7 | -28 | 0 | 0 | 0 | 112.6 | P671 | N669-P671 WeakPolarHBondContact O-CD 3.38Š|
| 670 | V | 96.8 | Very high | 97.1 | Very high | 37 Ų | 37 | 36.9 Ų | 36.9 | 22% | 0.224 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -92.3 | 117.5 | -178.8 | -178.5 | 0 | 0 | 0 | 0 | 109.9 | Y632 D668 N672 I673 R674 | Y632-V670 HydrophobicContact CD2-CG1 4.22Å; Y632-V670 HydrophobicContact CG-CG2 4.44Å; D668-V670 PolarHBondContact O-N 3.12Å; D668-V670 WeakPolarHBondContact OD1-CB 3.38Å; D668-V670 PolarHBondContact OD1-N 3.37Å; V670-N672 HydrophobicContact CG1-CB 4.17Å; V670-N672 PolarHBondContact O-N 3.38Å; V670-I673 HydrophobicContact CB-CB 4.43Å; V670-I673 HydrophobicContact CB-CG1 3.86Å; V670-I673 HydrophobicContact CG1-CG1 4.13Å; V670-I673 WeakPolarHBondContact O-CB 3.43Å; V670-I673 PolarHBondContact O-N 2.81Å; V670-R674 PolarHBondContact O-N 3.3Å |
| 671 | P | 96.9 | Very high | 97.1 | Very high | 39 Ų | 39 | 34 Ų | 34 | 25% | 0.253 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -54.6 | -38.9 | 179.2 | -25.9 | 33.8 | 0 | 0 | 0 | 113.7 | N669 I673 R674 F675 D709 V712 | N669-P671 WeakPolarHBondContact O-CD 3.38Å; P671-I673 PolarHBondContact O-N 3.42Å; P671-I673 VanDerWaalsContact O-N 3.16Å; P671-R674 PolarHBondContact O-N 2.9Å; P671-F675 PolarHBondContact O-N 3.24Å; P671-D709 HydrophobicContact CB-CB 4Å; P671-D709 WeakPolarHBondContact CB-OD2 3.48Å; P671-D709 HydrophobicContact CG-CB 4.4Å; P671-V712 HydrophobicContact CB-CG2 4.2Å; P671-V712 WeakPolarHBondContact O-CG2 3.46Å |
| 672 | N | 95.9 | Very high | 97.1 | Very high | 73 Ų | 73 | 34.6 Ų | 34.6 | 39% | 0.39 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.2 | -32.5 | 178 | -62.3 | 0.4 | 0 | 0 | 0 | 113.1 | M636 V670 F675 K676 | M636-N672 VanDerWaalsContact CE-C 3.48Å; M636-N672 HydrophobicContact CE-CB 3.29Å; V670-N672 HydrophobicContact CG1-CB 4.17Å; V670-N672 PolarHBondContact O-N 3.38Å; N672-F675 HydrophobicContact CB-CE1 3.79Å; N672-F675 HydrophobicContact CB-CZ 3.75Å; N672-F675 WeakPolarHBondContact O-CD2 3.33Å; N672-F675 WeakPolarHBondContact O-CE2 3.31Å; N672-F675 WeakPolarHBondContact OD1-CE1 3.29Å; N672-K676 VanDerWaalsContact O-CB 3.23Å; N672-K676 WeakPolarHBondContact O-CB 3.48Å; N672-K676 PolarHBondContact O-N 3.32Å |
| 673 | I | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -72.2 | -45.8 | 175.9 | -60.3 | -66.6 | 0 | 0 | 0 | 109.6 | Y632 R635 M636 L639 M665 D668 V670 P671 F675 K676 V677 | Y632-I673 WeakPolarHBondContact O-CD1 3.29Å; R635-I673 HydrophobicContact CB-CD1 3.79Å; M636-I673 VanDerWaalsContact CA-CD1 3.48Å; M636-I673 HydrophobicContact CB-CD1 3.78Å; M636-I673 HydrophobicContact CE-CD1 3.51Å; M636-I673 HydrophobicContact CE-CG1 4.1Å; M636-I673 HydrophobicContact CG-CD1 4.47Å; M636-I673 VanDerWaalsContact N-CD1 3.26Å; M636-I673 HydrophobicContact SD-CD1 3.91Å; L639-I673 HydrophobicContact CD1-CG2 3.74Å; L639-I673 WeakPolarHBondContact CD1-O 3.47Å; M665-I673 HydrophobicContact CE-CG2 4Å; D668-I673 HydrophobicContact CB-CB 3.8Å; D668-I673 HydrophobicContact CB-CG2 3.53Å; V670-I673 HydrophobicContact CB-CB 4.43Å; V670-I673 HydrophobicContact CB-CG1 3.86Å; V670-I673 HydrophobicContact CG1-CG1 4.13Å; V670-I673 WeakPolarHBondContact O-CB 3.43Å; V670-I673 PolarHBondContact O-N 2.81Å; P671-I673 PolarHBondContact O-N 3.42Å; P671-I673 VanDerWaalsContact O-N 3.16Å; I673-F675 PolarHBondContact O-N 2.86Å; I673-K676 CarbonylContact O-C 3.57Å; I673-K676 WeakPolarHBondContact O-CA 3.49Å; I673-K676 WeakPolarHBondContact O-CB 3.5Å; I673-K676 PolarHBondContact O-N 3.47Å; I673-K676 VanDerWaalsContact O-N 3.08Å; I673-V677 WeakPolarHBondContact O-CG2 3.34Å; I673-V677 PolarHBondContact O-N 3.18Å |
| 674 | R | 98.1 | Very high | 96.9 | Very high | 36 Ų | 36 | 35.7 Ų | 35.7 | 14% | 0.136 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.7 | -40.6 | -178.8 | -65.2 | -173.3 | -69.6 | 168.7 | 8.4 | 112.9 | H666 D668 V670 P671 K676 V677 A678 L704 D707 V712 | H666-R674 WeakPolarHBondContact O-CD 3.43Å; H666-R674 WeakPolarHBondContact O-CG 3.43Å; D668-R674 HydrophobicContact CB-CG 4.24Å; D668-R674 WeakPolarHBondContact O-CD 3.19Å; D668-R674 WeakPolarHBondContact O-CG 3.49Å; D668-R674 PolarHBondContact O-NE 2.8Å; V670-R674 PolarHBondContact O-N 3.3Å; P671-R674 PolarHBondContact O-N 2.9Å; R674-K676 VanDerWaalsContact C-N 3.32Å; R674-V677 WeakPolarHBondContact O-CB 3.42Å; R674-V677 PolarHBondContact O-N 3.13Å; R674-A678 PolarHBondContact O-N 3.39Å; R674-L704 HydrophobicContact CB-CD2 4.1Å; R674-D707 VanDerWaalsContact CZ-CG 3.45Å; R674-D707 IonicContact CZ-OD1 3.77Å; R674-D707 IonicContact CZ-OD2 2.67Å; R674-D707 IonicContact NE-OD1 3.09Å; R674-D707 IonicContact NE-OD2 2.86Å; R674-D707 IonicContact NH1-OD1 3.75Å; R674-D707 PolarHBondContact NH1-OD1 3.45Å; R674-D707 IonicContact NH1-OD2 3.04Å; R674-D707 PolarHBondContact NH1-OD2 3.14Å; R674-D707 IonicContact NH2-OD1 2.78Å; R674-D707 PolarHBondContact NH2-OD1 3.05Å; R674-D707 IonicContact NH2-OD2 3.06Å; R674-V712 HydrophobicContact CB-CG1 3.96Å; R674-V712 HydrophobicContact CB-CG2 3.77Å |
| 675 | F | 97.1 | Very high | 96.7 | Very high | 31 Ų | 31 | 32.5 Ų | 32.5 | 14% | 0.136 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -70.7 | -32.4 | 173.8 | 73.1 | -128.2 | 0 | 0 | 0 | 111.7 | P671 N672 I673 V677 A678 Q679 D711 V712 Y715 | P671-F675 PolarHBondContact O-N 3.24Å; N672-F675 HydrophobicContact CB-CE1 3.79Å; N672-F675 HydrophobicContact CB-CZ 3.75Å; N672-F675 WeakPolarHBondContact O-CD2 3.33Å; N672-F675 WeakPolarHBondContact O-CE2 3.31Å; N672-F675 WeakPolarHBondContact OD1-CE1 3.29Å; I673-F675 PolarHBondContact O-N 2.86Å; F675-V677 VanDerWaalsContact C-N 3.27Å; F675-V677 PolarHBondContact O-N 3.33Å; F675-A678 WeakPolarHBondContact O-CB 3.49Å; F675-A678 PolarHBondContact O-N 2.97Å; F675-A678 VanDerWaalsContact O-N 3.1Å; F675-Q679 PolarHBondContact O-N 3.5Å; F675-D711 HydrophobicContact CD1-CB 3.88Å; F675-D711 HydrophobicContact CE1-CB 4.37Å; F675-V712 HydrophobicContact CB-CB 4.46Å; F675-V712 HydrophobicContact CB-CG2 4.08Å; F675-Y715 HydrophobicContact CB-CD2 3.7Å; F675-Y715 HydrophobicContact CB-CG 4.27Å; F675-Y715 HydrophobicContact CD2-CD2 4.07Å; F675-Y715 HydrophobicContact CD2-CE2 4.25Å; F675-Y715 AromaticContact CG-CD2 3.91Å; F675-Y715 HydrophobicContact CG-CD2 3.91Å; F675-Y715 HydrophobicContact CG-CE2 4.32Å |
| 676 | K | 97.6 | Very high | 96.2 | Very high | 32 Ų | 32 | 36.6 Ų | 36.6 | 14% | 0.139 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.1 | -31.5 | 175.8 | -160.4 | 80.1 | -175.7 | 167.4 | 0 | 111.4 | M636 L639 I643 N672 I673 R674 Q679 A680 | M636-K676 HydrophobicContact SD-CB 3.89Å; M636-K676 HydrophobicContact SD-CD 4Å; M636-K676 HydrophobicContact SD-CG 3.83Å; L639-K676 HydrophobicContact CB-CB 4.28Å; L639-K676 HydrophobicContact CB-CG 3.59Å; L639-K676 HydrophobicContact CD1-CB 3.77Å; L639-K676 HydrophobicContact CD1-CG 4.03Å; L639-K676 HydrophobicContact CG-CG 4.47Å; I643-K676 HydrophobicContact CD1-CD 4.21Å; I643-K676 HydrophobicContact CD1-CG 4.21Å; N672-K676 VanDerWaalsContact O-CB 3.23Å; N672-K676 WeakPolarHBondContact O-CB 3.48Å; N672-K676 PolarHBondContact O-N 3.32Å; I673-K676 CarbonylContact O-C 3.57Å; I673-K676 WeakPolarHBondContact O-CA 3.49Å; I673-K676 WeakPolarHBondContact O-CB 3.5Å; I673-K676 PolarHBondContact O-N 3.47Å; I673-K676 VanDerWaalsContact O-N 3.08Å; R674-K676 VanDerWaalsContact C-N 3.32Å; K676-Q679 PolarHBondContact O-N 3.48Å; K676-A680 WeakPolarHBondContact O-CB 3.4Å; K676-A680 PolarHBondContact O-N 3.16Å |
| 677 | V | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.6 | -46.2 | 168.7 | 168.4 | 0 | 0 | 0 | 0 | 110.3 | L639 V662 M665 H666 I673 R674 F675 Q679 A680 L681 L704 | L639-V677 HydrophobicContact CD1-CG2 3.73Å; L639-V677 HydrophobicContact CD2-CG2 4Å; V662-V677 HydrophobicContact CG1-CB 4.43Å; V662-V677 HydrophobicContact CG1-CG1 3.79Å; M665-V677 HydrophobicContact CB-CG2 3.74Å; H666-V677 HydrophobicContact CB-CG1 4.05Å; I673-V677 WeakPolarHBondContact O-CG2 3.34Å; I673-V677 PolarHBondContact O-N 3.18Å; R674-V677 WeakPolarHBondContact O-CB 3.42Å; R674-V677 PolarHBondContact O-N 3.13Å; F675-V677 VanDerWaalsContact C-N 3.27Å; F675-V677 PolarHBondContact O-N 3.33Å; V677-Q679 PolarHBondContact O-N 2.88Å; V677-A680 PolarHBondContact O-N 3.06Å; V677-L681 HydrophobicContact CG1-CD1 4.11Å; V677-L681 HydrophobicContact CG1-CG 4.4Å; V677-L681 WeakPolarHBondContact O-CG 3.32Å; V677-L681 PolarHBondContact O-N 3.47Å; V677-L704 HydrophobicContact CB-CD1 4.46Å; V677-L704 HydrophobicContact CG1-CD1 3.98Å |
| 678 | A | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.3 | -45 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R674 F675 A680 L681 S682 L701 L704 A716 A719 | R674-A678 PolarHBondContact O-N 3.39Å; F675-A678 WeakPolarHBondContact O-CB 3.49Å; F675-A678 PolarHBondContact O-N 2.97Å; F675-A678 VanDerWaalsContact O-N 3.1Å; A678-A680 VanDerWaalsContact C-N 3.33Å; A678-A680 PolarHBondContact O-N 3.33Å; A678-L681 PolarHBondContact O-N 3.21Å; A678-S682 PolarHBondContact O-N 3.31Å; A678-L701 HydrophobicContact CB-CD2 4.11Å; A678-L704 HydrophobicContact CB-CD1 4.14Å; A678-A716 HydrophobicContact CB-CB 4.32Å; A678-A719 WeakPolarHBondContact O-CB 3.43Å |
| 679 | Q | 97.7 | Very high | 95.5 | Very high | 42 Ų | 42 | 39.4 Ų | 39.4 | 20% | 0.196 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.7 | -41.6 | 174.1 | -67.8 | -175.6 | -18.7 | 0 | 0 | 112.5 | I643 F675 K676 V677 S682 N683 Y715 | I643-Q679 HydrophobicContact CD1-CB 4.04Å; F675-Q679 PolarHBondContact O-N 3.5Å; K676-Q679 PolarHBondContact O-N 3.48Å; V677-Q679 PolarHBondContact O-N 2.88Å; Q679-S682 WeakPolarHBondContact O-CB 3.24Å; Q679-S682 PolarHBondContact O-N 2.83Å; Q679-N683 PolarHBondContact O-N 3.34Å; Q679-N683 VanDerWaalsContact O-N 3.1Å; Q679-N683 PolarHBondContact O-ND2 3.1Å; Q679-Y715 HydrophobicContact CG-CD1 3.84Å; Q679-Y715 HydrophobicContact CG-CE1 4.35Å; Q679-Y715 HydrophobicContact CG-CG 4.25Å |
| 680 | A | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.2 | -42.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L639 I643 V662 K676 V677 A678 N683 L684 | L639-A680 HydrophobicContact CD2-CB 4.29Å; I643-A680 HydrophobicContact CD1-CB 4.13Å; I643-A680 VanDerWaalsContact CG1-CA 3.49Å; I643-A680 HydrophobicContact CG1-CB 3.74Å; V662-A680 HydrophobicContact CG1-CB 3.9Å; V662-A680 HydrophobicContact CG2-CB 3.93Å; K676-A680 WeakPolarHBondContact O-CB 3.4Å; K676-A680 PolarHBondContact O-N 3.16Å; V677-A680 PolarHBondContact O-N 3.06Å; A678-A680 VanDerWaalsContact C-N 3.33Å; A678-A680 PolarHBondContact O-N 3.33Å; A680-N683 PolarHBondContact O-N 2.66Å; A680-L684 WeakPolarHBondContact O-CB 3.23Å; A680-L684 WeakPolarHBondContact O-CG 3.47Å; A680-L684 PolarHBondContact O-N 2.99Å |
| 681 | L | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.1 | -41.2 | 175.1 | -70.4 | 176.7 | 0 | 0 | 0 | 112 | L659 V662 L663 V677 A678 L684 G685 V697 C700 L701 | L659-L681 HydrophobicContact CD1-CD2 3.92Å; V662-L681 HydrophobicContact CB-CD2 4.4Å; V662-L681 HydrophobicContact CG1-CD2 3.63Å; V662-L681 HydrophobicContact CG1-CG 3.71Å; L663-L681 HydrophobicContact CD2-CD2 4.07Å; V677-L681 HydrophobicContact CG1-CD1 4.11Å; V677-L681 HydrophobicContact CG1-CG 4.4Å; V677-L681 WeakPolarHBondContact O-CG 3.32Å; V677-L681 PolarHBondContact O-N 3.47Å; A678-L681 PolarHBondContact O-N 3.21Å; L681-L684 PolarHBondContact O-N 3.43Å; L681-G685 PolarHBondContact O-N 2.93Å; L681-V697 HydrophobicContact CB-CG1 4.05Å; L681-V697 HydrophobicContact CD1-CG1 4.38Å; L681-V697 HydrophobicContact CD2-CG1 4.24Å; L681-V697 HydrophobicContact CD2-CG2 4.29Å; L681-V697 HydrophobicContact CG-CG1 4.44Å; L681-C700 HydrophobicContact CD1-CB 3.9Å; L681-L701 HydrophobicContact CB-CD2 4.31Å; L681-L701 HydrophobicContact CD1-CD2 3.87Å; L681-L701 HydrophobicContact CD1-CG 4Å |
| 682 | S | 95.9 | Very high | 94.4 | Very high | 23 Ų | 23 | 44.4 Ų | 44.4 | 16% | 0.161 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.4 | -48.8 | 174.6 | -174.7 | 0 | 0 | 0 | 0 | 111.8 | A678 Q679 G685 | A678-S682 PolarHBondContact O-N 3.31Å; Q679-S682 WeakPolarHBondContact O-CB 3.24Å; Q679-S682 PolarHBondContact O-N 2.83Å; S682-G685 PolarHBondContact O-N 3.28Å |
| 683 | N | 95.6 | Very high | 94.1 | Very high | 51 Ų | 51 | 42.1 Ų | 42.1 | 27% | 0.273 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -68.5 | -41.9 | 179.7 | -79.3 | -96.1 | 0 | 0 | 0 | 112.4 | I643 K647 Q679 A680 G685 S686 | I643-N683 HydrophobicContact CG2-CB 4.49Å; K647-N683 WeakPolarHBondContact CE-OD1 3.47Å; Q679-N683 PolarHBondContact O-N 3.34Å; Q679-N683 VanDerWaalsContact O-N 3.1Å; Q679-N683 PolarHBondContact O-ND2 3.1Å; A680-N683 PolarHBondContact O-N 2.66Å; N683-G685 VanDerWaalsContact C-N 3.28Å; N683-G685 PolarHBondContact O-N 3.19Å; N683-S686 PolarHBondContact O-OG 3.44Å |
| 684 | L | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.7 | -33.3 | 178.7 | -83.1 | 168.1 | 0 | 0 | 0 | 112.4 | I642 C646 C654 L658 V662 A680 L681 S686 Q687 L688 | I642-L684 HydrophobicContact CG2-CD1 4.02Å; I642-L684 HydrophobicContact CG2-CG 4.35Å; C646-L684 HydrophobicContact CB-CD2 3.57Å; C646-L684 HydrophobicContact CB-CG 4.28Å; C654-L684 HydrophobicContact CB-CD2 4Å; L658-L684 HydrophobicContact CB-CD2 4.17Å; L658-L684 HydrophobicContact CD1-CD2 4.5Å; V662-L684 HydrophobicContact CB-CD1 4.33Å; V662-L684 HydrophobicContact CG2-CD1 3.79Å; A680-L684 WeakPolarHBondContact O-CB 3.23Å; A680-L684 WeakPolarHBondContact O-CG 3.47Å; A680-L684 PolarHBondContact O-N 2.99Å; L681-L684 PolarHBondContact O-N 3.43Å; L684-S686 PolarHBondContact O-N 2.94Å; L684-Q687 WeakPolarHBondContact O-CA 3.38Å; L684-Q687 WeakPolarHBondContact O-CB 3.35Å; L684-Q687 PolarHBondContact O-N 2.7Å; L684-L688 HydrophobicContact CB-CD1 4.17Å; L684-L688 WeakPolarHBondContact O-CG 3.43Å; L684-L688 PolarHBondContact O-N 3.4Å |
| 685 | G | 91.6 | Very high | 93.2 | Very high | 7 Ų | 7 | 48.8 Ų | 48.8 | 7% | 0.072 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.8 | -28 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L681 S682 N683 Q687 L688 | L681-G685 PolarHBondContact O-N 2.93Å; S682-G685 PolarHBondContact O-N 3.28Å; N683-G685 VanDerWaalsContact C-N 3.28Å; N683-G685 PolarHBondContact O-N 3.19Å; G685-Q687 PolarHBondContact O-N 2.87Å; G685-L688 PolarHBondContact O-N 3.44Å |
| 686 | S | 88.5 | Confident | 93 | Very high | 93 Ų | 93 | 51.1 Ų | 51.1 | 65% | 0.65 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -20.1 | 172.6 | 66.1 | 0 | 0 | 0 | 0 | 114.6 | N683 L684 | N683-S686 PolarHBondContact O-OG 3.44Å; L684-S686 PolarHBondContact O-N 2.94Å |
| 687 | Q | 91.1 | Very high | 92.8 | Very high | 51 Ų | 51 | 49.6 Ų | 49.6 | 24% | 0.238 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -4.3 | -178.5 | -56.4 | -60.1 | -42.2 | 0 | 0 | 113.1 | C646 P651 C654 L684 G685 | C646-Q687 VanDerWaalsContact O-CG 3.29Å; C646-Q687 WeakPolarHBondContact O-CG 3.41Å; P651-Q687 WeakPolarHBondContact CB-O 3.46Å; C654-Q687 HydrophobicContact CB-CB 4.12Å; L684-Q687 WeakPolarHBondContact O-CA 3.38Å; L684-Q687 WeakPolarHBondContact O-CB 3.35Å; L684-Q687 PolarHBondContact O-N 2.7Å; G685-Q687 PolarHBondContact O-N 2.87Å |
| 688 | L | 92.3 | Very high | 92.6 | Very high | 17 Ų | 17 | 51.9 Ų | 51.9 | 9% | 0.089 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -105.3 | 148.2 | -172.4 | -62.2 | 176.7 | 0 | 0 | 0 | 111.1 | C655 L659 L684 G685 N692 I693 V697 | C655-L688 HydrophobicContact CB-CD2 4.48Å; C655-L688 WeakPolarHBondContact SG-CD2 3.48Å; L659-L688 HydrophobicContact CB-CD2 4.41Å; L659-L688 HydrophobicContact CD1-CD1 3.98Å; L659-L688 HydrophobicContact CD2-CD1 3.93Å; L659-L688 HydrophobicContact CD2-CD2 3.91Å; L659-L688 HydrophobicContact CG-CD1 4.43Å; L684-L688 HydrophobicContact CB-CD1 4.17Å; L684-L688 WeakPolarHBondContact O-CG 3.43Å; L684-L688 PolarHBondContact O-N 3.4Å; G685-L688 PolarHBondContact O-N 3.44Å; L688-N692 HydrophobicContact CB-CB 4.27Å; L688-I693 HydrophobicContact CB-CG1 4.09Å; L688-V697 HydrophobicContact CD1-CG2 3.81Å |
| 689 | E | 90.3 | Very high | 92.4 | Very high | 139 Ų | 139 | 54.9 Ų | 54.9 | 65% | 0.65 | 28% | 0.282 | S | S | * | . | trans | -71.1 | 152.4 | 170.1 | -63.6 | -179.9 | -178.6 | 0 | 0 | 110.8 | K691 N692 I693 | E689-K691 PolarHBondContact O-N 3.26Å; E689-N692 PolarHBondContact O-N 2.81Å; E689-I693 PolarHBondContact O-N 3.45Å | ||
| 690 | E | 87.5 | Confident | 92.3 | Very high | 157 Ų | 157 | 52.9 Ų | 52.9 | 73% | 0.734 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -51.8 | -34.3 | 178.8 | -171.4 | 176.9 | -174.6 | 0 | 0 | 112.4 | N692 I693 E694 | E690-N692 PolarHBondContact O-N 3.15Å; E690-I693 PolarHBondContact O-N 3.02Å; E690-E694 WeakPolarHBondContact O-CB 3.5Å; E690-E694 PolarHBondContact O-N 3.42Å |
| 691 | K | 90 | Very high | 92.2 | Very high | 149 Ų | 149 | 52.9 Ų | 52.9 | 65% | 0.648 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.7 | -42.1 | 176.1 | -175.2 | -176.1 | 174.9 | -172.4 | 0 | 112.9 | E689 I693 N695 | E689-K691 PolarHBondContact O-N 3.26Å; K691-I693 VanDerWaalsContact C-N 3.34Å; K691-N695 WeakPolarHBondContact CG-ND2 3.43Å; K691-N695 WeakPolarHBondContact O-CB 3.5Å; K691-N695 PolarHBondContact O-N 3.37Å; K691-N695 PolarHBondContact O-ND2 3.14Å |
| 692 | N | 88.2 | Confident | 92 | Very high | 32 Ų | 32 | 55.5 Ų | 55.5 | 17% | 0.171 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.5 | -36.8 | 177.8 | -65.8 | 98.9 | 0 | 0 | 0 | 110.6 | L659 L688 E689 E690 E696 V697 | L659-N692 HydrophobicContact CD2-CB 4.24Å; L688-N692 HydrophobicContact CB-CB 4.27Å; E689-N692 PolarHBondContact O-N 2.81Å; E690-N692 PolarHBondContact O-N 3.15Å; N692-E696 PolarHBondContact O-N 2.75Å; N692-V697 PolarHBondContact O-N 3.13Å |
| 693 | I | 89.5 | Confident | 91.9 | Very high | 25 Ų | 25 | 59.8 Ų | 59.8 | 13% | 0.128 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -63.1 | -51.6 | 177.8 | -61.2 | 174.3 | 0 | 0 | 0 | 110.6 | L688 E689 E690 K691 N695 K698 I725 | L688-I693 HydrophobicContact CB-CG1 4.09Å; E689-I693 PolarHBondContact O-N 3.45Å; E690-I693 PolarHBondContact O-N 3.02Å; K691-I693 VanDerWaalsContact C-N 3.34Å; I693-N695 PolarHBondContact O-N 2.89Å; I693-K698 VanDerWaalsContact O-CB 3.3Å; I693-K698 WeakPolarHBondContact O-CB 3.34Å; I693-K698 PolarHBondContact O-N 3.23Å; I693-I725 HydrophobicContact CG2-CD1 4.04Å; I693-I725 HydrophobicContact CG2-CG1 4.12Å |
| 694 | E | 88.3 | Confident | 91.9 | Very high | 75 Ų | 75 | 57.5 Ų | 57.5 | 35% | 0.35 | 29% | 0.289 | S | S | . | . | I | π-helix | trans | -69.1 | -34.2 | -176.3 | -80.4 | -65.6 | 153.9 | 0 | 0 | 113.7 | E690 K698 | E690-E694 WeakPolarHBondContact O-CB 3.5Å; E690-E694 PolarHBondContact O-N 3.42Å; E694-K698 WeakPolarHBondContact O-CB 3.44Å; E694-K698 IonicContact OE1-NZ 3.68Å; E694-K698 VanDerWaalsContact OE2-CD 3.25Å; E694-K698 WeakPolarHBondContact OE2-CD 3.49Å; E694-K698 IonicContact OE2-NZ 3.94Å; E694-K698 PolarHBondContact OE2-NZ 2.91Å |
| 695 | N | 88.6 | Confident | 91.9 | Very high | 101 Ų | 101 | 58.1 Ų | 58.1 | 54% | 0.54 | 29% | 0.293 | S | S | . | . | I | π-helix | trans | -89.6 | -53.9 | -175.9 | -66.2 | -52.6 | 0 | 0 | 0 | 112.7 | K691 I693 S699 | K691-N695 WeakPolarHBondContact CG-ND2 3.43Å; K691-N695 WeakPolarHBondContact O-CB 3.5Å; K691-N695 PolarHBondContact O-N 3.37Å; K691-N695 PolarHBondContact O-ND2 3.14Å; I693-N695 PolarHBondContact O-N 2.89Å; N695-S699 VanDerWaalsContact O-CB 3.3Å; N695-S699 WeakPolarHBondContact O-CB 3.4Å |
| 696 | E | 92.1 | Very high | 92 | Very high | 80 Ų | 80 | 65 Ų | 65 | 37% | 0.374 | 32% | 0.323 | S | S | . | . | I | π-helix | trans | -96.6 | -51.5 | -167.9 | -64.7 | 175.4 | -147.2 | 0 | 0 | 111.6 | L663 N692 S699 C700 | L663-E696 HydrophobicContact CD1-CB 3.8Å; L663-E696 HydrophobicContact CD1-CG 4.4Å; L663-E696 VanDerWaalsContact CD1-OE2 3.26Å; L663-E696 WeakPolarHBondContact CD1-OE2 3.34Å; N692-E696 PolarHBondContact O-N 2.75Å; E696-S699 PolarHBondContact O-N 3.33Å; E696-C700 PolarHBondContact O-N 3.21Å |
| 697 | V | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | I | π-helix | trans | -66.1 | -48.7 | -175.7 | -179.6 | 0 | 0 | 0 | 0 | 110.9 | L659 L681 L688 N692 S699 C700 L701 L723 I725 | L659-V697 HydrophobicContact CD1-CG2 3.98Å; L681-V697 HydrophobicContact CB-CG1 4.05Å; L681-V697 HydrophobicContact CD1-CG1 4.38Å; L681-V697 HydrophobicContact CD2-CG1 4.24Å; L681-V697 HydrophobicContact CD2-CG2 4.29Å; L681-V697 HydrophobicContact CG-CG1 4.44Å; L688-V697 HydrophobicContact CD1-CG2 3.81Å; N692-V697 PolarHBondContact O-N 3.13Å; V697-S699 PolarHBondContact O-N 3.15Å; V697-C700 WeakPolarHBondContact O-CB 3.28Å; V697-C700 PolarHBondContact O-N 3.05Å; V697-C700 VanDerWaalsContact O-N 3.14Å; V697-L701 HydrophobicContact CG1-CD1 3.78Å; V697-L701 HydrophobicContact CG1-CG 4.25Å; V697-L701 WeakPolarHBondContact O-CG 3.44Å; V697-L701 PolarHBondContact O-N 2.59Å; V697-L723 HydrophobicContact CG1-CD1 3.77Å; V697-I725 HydrophobicContact CG1-CD1 4.48Å |
| 698 | K | 93.3 | Very high | 92.5 | Very high | 48 Ų | 48 | 63.8 Ų | 63.8 | 21% | 0.209 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.3 | -48.5 | 176.4 | 176.8 | 171.4 | -166.4 | 168.5 | 0 | 112 | I693 E694 C700 L701 T702 I725 | I693-K698 VanDerWaalsContact O-CB 3.3Å; I693-K698 WeakPolarHBondContact O-CB 3.34Å; I693-K698 PolarHBondContact O-N 3.23Å; E694-K698 WeakPolarHBondContact O-CB 3.44Å; E694-K698 IonicContact OE1-NZ 3.68Å; E694-K698 VanDerWaalsContact OE2-CD 3.25Å; E694-K698 WeakPolarHBondContact OE2-CD 3.49Å; E694-K698 IonicContact OE2-NZ 3.94Å; E694-K698 PolarHBondContact OE2-NZ 2.91Å; K698-C700 VanDerWaalsContact C-N 3.26Å; K698-C700 PolarHBondContact O-N 2.98Å; K698-L701 PolarHBondContact O-N 2.67Å; K698-T702 WeakPolarHBondContact O-CB 3.49Å; K698-T702 PolarHBondContact O-N 3.03Å; K698-T702 PolarHBondContact O-OG1 2.66Å; K698-I725 HydrophobicContact CB-CD1 4.25Å; K698-I725 HydrophobicContact CB-CG2 4.03Å; K698-I725 HydrophobicContact CD-CG2 3.67Å; K698-I725 HydrophobicContact CG-CG2 3.54Å |
| 699 | S | 93.9 | Very high | 92.7 | Very high | 62 Ų | 62 | 65 Ų | 65 | 43% | 0.434 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.9 | -36.7 | 177.7 | -178.5 | 0 | 0 | 0 | 0 | 112.4 | N695 E696 V697 R703 | N695-S699 VanDerWaalsContact O-CB 3.3Å; N695-S699 WeakPolarHBondContact O-CB 3.4Å; E696-S699 PolarHBondContact O-N 3.33Å; V697-S699 PolarHBondContact O-N 3.15Å; S699-R703 WeakPolarHBondContact O-CG 3.4Å; S699-R703 PolarHBondContact O-NE 3.22Å; S699-R703 VanDerWaalsContact O-NE 3.08Å |
| 700 | C | 95.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.9 | -48.7 | 175.1 | -164.9 | 0 | 0 | 0 | 0 | 112.5 | L663 H666 L681 E696 V697 K698 T702 R703 L704 | L663-C700 HydrophobicContact CD2-CB 3.6Å; H666-C700 WeakPolarHBondContact CB-SG 3.37Å; L681-C700 HydrophobicContact CD1-CB 3.9Å; E696-C700 PolarHBondContact O-N 3.21Å; V697-C700 WeakPolarHBondContact O-CB 3.28Å; V697-C700 PolarHBondContact O-N 3.05Å; V697-C700 VanDerWaalsContact O-N 3.14Å; K698-C700 VanDerWaalsContact C-N 3.26Å; K698-C700 PolarHBondContact O-N 2.98Å; C700-T702 PolarHBondContact O-N 3.31Å; C700-R703 PolarHBondContact O-N 2.92Å; C700-L704 PolarHBondContact O-N 3.27Å; C700-L704 VanDerWaalsContact O-N 3.15Å |
| 701 | L | 95.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.1 | -37.9 | -178.2 | -70.4 | 174.8 | 0 | 0 | 0 | 112.7 | A678 L681 V697 K698 R703 L704 V705 A716 A719 M720 L723 I725 | A678-L701 HydrophobicContact CB-CD2 4.11Å; L681-L701 HydrophobicContact CB-CD2 4.31Å; L681-L701 HydrophobicContact CD1-CD2 3.87Å; L681-L701 HydrophobicContact CD1-CG 4Å; V697-L701 HydrophobicContact CG1-CD1 3.78Å; V697-L701 HydrophobicContact CG1-CG 4.25Å; V697-L701 WeakPolarHBondContact O-CG 3.44Å; V697-L701 PolarHBondContact O-N 2.59Å; K698-L701 PolarHBondContact O-N 2.67Å; L701-R703 PolarHBondContact O-N 3.4Å; L701-L704 HydrophobicContact CD2-CD1 4.44Å; L701-L704 PolarHBondContact O-N 2.96Å; L701-L704 VanDerWaalsContact O-N 3.12Å; L701-V705 WeakPolarHBondContact O-CG2 3.37Å; L701-V705 PolarHBondContact O-N 3.41Å; L701-A716 HydrophobicContact CD2-CB 4.49Å; L701-A719 HydrophobicContact CD1-CB 3.96Å; L701-A719 HydrophobicContact CD2-CB 3.73Å; L701-M720 HydrophobicContact CB-CE 4.35Å; L701-M720 HydrophobicContact CB-CG 3.59Å; L701-M720 HydrophobicContact CB-SD 3.96Å; L701-M720 HydrophobicContact CD1-CG 3.76Å; L701-M720 HydrophobicContact CG-CG 4.23Å; L701-L723 HydrophobicContact CD1-CD1 4.18Å; L701-I725 HydrophobicContact CD1-CD1 3.86Å |
| 702 | T | 94 | Very high | 93.5 | Very high | 55 Ų | 55 | 51.9 Ų | 51.9 | 34% | 0.337 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.6 | -36.8 | 174.1 | -58 | 0 | 0 | 0 | 0 | 111.8 | K698 C700 E706 | K698-T702 WeakPolarHBondContact O-CB 3.49Å; K698-T702 PolarHBondContact O-N 3.03Å; K698-T702 PolarHBondContact O-OG1 2.66Å; C700-T702 PolarHBondContact O-N 3.31Å; T702-E706 PolarHBondContact O-N 3.2Å |
| 703 | R | 94 | Very high | 93.9 | Very high | 114 Ų | 114 | 53 Ų | 53 | 43% | 0.43 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -70.9 | -37.7 | 175.6 | -70.2 | -179.4 | -71.7 | 156.2 | 8.2 | 112.6 | H666 S699 C700 L701 V705 E706 | H666-R703 PolarHBondContact CE1-NH1 3.24Å; H666-R703 PolarHBondContact NE2-NH1 2.81Å; H666-R703 PolarHBondContact NE2-NH2 3.12Å; S699-R703 WeakPolarHBondContact O-CG 3.4Å; S699-R703 PolarHBondContact O-NE 3.22Å; S699-R703 VanDerWaalsContact O-NE 3.08Å; C700-R703 PolarHBondContact O-N 2.92Å; L701-R703 PolarHBondContact O-N 3.4Å; R703-V705 VanDerWaalsContact C-N 3.33Å; R703-E706 PolarHBondContact O-N 3.45Å |
| 704 | L | 95.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71.4 | -27.3 | 176.5 | -66.4 | 173.8 | 0 | 0 | 0 | 112.7 | H666 R674 V677 A678 C700 L701 E706 D707 V712 A716 | H666-L704 HydrophobicContact CB-CD2 4.23Å; R674-L704 HydrophobicContact CB-CD2 4.1Å; V677-L704 HydrophobicContact CB-CD1 4.46Å; V677-L704 HydrophobicContact CG1-CD1 3.98Å; A678-L704 HydrophobicContact CB-CD1 4.14Å; C700-L704 PolarHBondContact O-N 3.27Å; C700-L704 VanDerWaalsContact O-N 3.15Å; L701-L704 HydrophobicContact CD2-CD1 4.44Å; L701-L704 PolarHBondContact O-N 2.96Å; L701-L704 VanDerWaalsContact O-N 3.12Å; L704-E706 PolarHBondContact O-N 3.41Å; L704-D707 WeakPolarHBondContact O-CB 3.39Å; L704-D707 PolarHBondContact O-N 2.84Å; L704-V712 HydrophobicContact CB-CG1 4.06Å; L704-V712 HydrophobicContact CD2-CG1 3.76Å; L704-V712 HydrophobicContact CG-CG1 4.46Å; L704-A716 HydrophobicContact CB-CB 3.61Å |
| 705 | V | 94.3 | Very high | 94.5 | Very high | 14 Ų | 14 | 53.9 Ų | 53.9 | 9% | 0.085 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.2 | -27.2 | 170.6 | 157.5 | 0 | 0 | 0 | 0 | 112.3 | L701 R703 D707 K713 A716 Y717 M720 | L701-V705 WeakPolarHBondContact O-CG2 3.37Å; L701-V705 PolarHBondContact O-N 3.41Å; R703-V705 VanDerWaalsContact C-N 3.33Å; V705-D707 VanDerWaalsContact C-N 3.34Å; V705-K713 WeakPolarHBondContact O-CG 3.44Å; V705-A716 HydrophobicContact CG2-CB 3.76Å; V705-Y717 HydrophobicContact CB-CE2 4.19Å; V705-Y717 HydrophobicContact CG1-CD2 4.34Å; V705-Y717 HydrophobicContact CG1-CE1 3.95Å; V705-Y717 HydrophobicContact CG1-CE2 3.5Å; V705-Y717 WeakPolarHBondContact CG1-OH 3.38Å; V705-Y717 HydrophobicContact CG2-CD1 4.12Å; V705-Y717 HydrophobicContact CG2-CD2 3.94Å; V705-Y717 HydrophobicContact CG2-CE1 4.16Å; V705-Y717 HydrophobicContact CG2-CE2 3.94Å; V705-Y717 HydrophobicContact CG2-CG 4.02Å; V705-M720 HydrophobicContact CG2-SD 3.62Å |
| 706 | E | 93.8 | Very high | 94.8 | Very high | 152 Ų | 152 | 49.1 Ų | 49.1 | 71% | 0.71 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 8.9 | 177.5 | -65.3 | -180 | 173.6 | 0 | 0 | 113.1 | T702 R703 L704 | T702-E706 PolarHBondContact O-N 3.2Å; R703-E706 PolarHBondContact O-N 3.45Å; L704-E706 PolarHBondContact O-N 3.41Å |
| 707 | D | 95.8 | Very high | 94.9 | Very high | 17 Ų | 17 | 47.4 Ų | 47.4 | 9% | 0.091 | 24% | 0.244 | C | C | . | . | trans | -59.8 | 166.9 | -176.8 | -155.7 | -77.6 | 0 | 0 | 0 | 112.5 | R674 L704 V705 D709 V712 K713 | R674-D707 VanDerWaalsContact CZ-CG 3.45Å; R674-D707 IonicContact CZ-OD1 3.77Å; R674-D707 IonicContact CZ-OD2 2.67Å; R674-D707 IonicContact NE-OD1 3.09Å; R674-D707 IonicContact NE-OD2 2.86Å; R674-D707 IonicContact NH1-OD1 3.75Å; R674-D707 PolarHBondContact NH1-OD1 3.45Å; R674-D707 IonicContact NH1-OD2 3.04Å; R674-D707 PolarHBondContact NH1-OD2 3.14Å; R674-D707 IonicContact NH2-OD1 2.78Å; R674-D707 PolarHBondContact NH2-OD1 3.05Å; R674-D707 IonicContact NH2-OD2 3.06Å; L704-D707 WeakPolarHBondContact O-CB 3.39Å; L704-D707 PolarHBondContact O-N 2.84Å; V705-D707 VanDerWaalsContact C-N 3.34Å; D707-D709 PolarHBondContact OD1-N 3.41Å; D707-V712 HydrophobicContact CB-CB 3.92Å; D707-V712 HydrophobicContact CB-CG1 3.62Å; D707-K713 WeakPolarHBondContact O-CE 3.41Å; D707-K713 PolarHBondContact O-NZ 2.74Å | ||
| 708 | S | 94.4 | Very high | 94.8 | Very high | 100 Ų | 100 | 51.8 Ų | 51.8 | 70% | 0.699 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -78.3 | -32.8 | 170.1 | 57.4 | 0 | 0 | 0 | 0 | 111.7 | ||
| 709 | D | 96.1 | Very high | 94.9 | Very high | 43 Ų | 43 | 49.6 Ų | 49.6 | 23% | 0.23 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -83.5 | 137.3 | -173 | -174.6 | -86.5 | 0 | 0 | 0 | 112.7 | P671 D707 D711 V712 K713 | P671-D709 HydrophobicContact CB-CB 4Å; P671-D709 WeakPolarHBondContact CB-OD2 3.48Å; P671-D709 HydrophobicContact CG-CB 4.4Å; D707-D709 PolarHBondContact OD1-N 3.41Å; D709-D711 WeakPolarHBondContact OD1-CB 3.32Å; D709-D711 PolarHBondContact OD1-N 3.37Å; D709-V712 HydrophobicContact CB-CB 4.15Å; D709-V712 HydrophobicContact CB-CG2 3.75Å; D709-V712 PolarHBondContact OD1-N 2.89Å; D709-V712 VanDerWaalsContact OD1-N 3.1Å; D709-K713 WeakPolarHBondContact O-CG 3.06Å; D709-K713 PolarHBondContact O-N 3.36Å |
| 710 | T | 94.6 | Very high | 94.8 | Very high | 86 Ų | 86 | 46.8 Ų | 46.8 | 53% | 0.528 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -70.3 | -39.7 | -174.4 | -52.3 | 0 | 0 | 0 | 0 | 112.6 | K713 F714 F732 | T710-K713 PolarHBondContact O-N 2.83Å; T710-F714 WeakPolarHBondContact O-CB 3.34Å; T710-F714 PolarHBondContact O-N 3.22Å; T710-F732 HydrophobicContact CG2-CZ 4.1Å |
| 711 | D | 93.4 | Very high | 94.6 | Very high | 83 Ų | 83 | 53.1 Ų | 53.1 | 44% | 0.444 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.7 | -39.3 | -179.7 | -67.7 | -27.2 | 0 | 0 | 0 | 110 | F675 D709 K713 F714 Y715 | F675-D711 HydrophobicContact CD1-CB 3.88Å; F675-D711 HydrophobicContact CE1-CB 4.37Å; D709-D711 WeakPolarHBondContact OD1-CB 3.32Å; D709-D711 PolarHBondContact OD1-N 3.37Å; D711-K713 VanDerWaalsContact C-N 3.34Å; D711-K713 PolarHBondContact O-N 2.8Å; D711-F714 PolarHBondContact O-N 3.42Å; D711-Y715 HydrophobicContact CB-CD2 4.45Å; D711-Y715 HydrophobicContact CB-CE2 4.48Å; D711-Y715 WeakPolarHBondContact O-CD2 3.13Å; D711-Y715 PolarHBondContact O-N 3.18Å |
| 712 | V | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.2 | -46.4 | 174.3 | -177.6 | 0 | 0 | 0 | 0 | 111.3 | P671 R674 F675 L704 D707 D709 F714 A716 | P671-V712 HydrophobicContact CB-CG2 4.2Å; P671-V712 WeakPolarHBondContact O-CG2 3.46Å; R674-V712 HydrophobicContact CB-CG1 3.96Å; R674-V712 HydrophobicContact CB-CG2 3.77Å; F675-V712 HydrophobicContact CB-CB 4.46Å; F675-V712 HydrophobicContact CB-CG2 4.08Å; L704-V712 HydrophobicContact CB-CG1 4.06Å; L704-V712 HydrophobicContact CD2-CG1 3.76Å; L704-V712 HydrophobicContact CG-CG1 4.46Å; D707-V712 HydrophobicContact CB-CB 3.92Å; D707-V712 HydrophobicContact CB-CG1 3.62Å; D709-V712 HydrophobicContact CB-CB 4.15Å; D709-V712 HydrophobicContact CB-CG2 3.75Å; D709-V712 PolarHBondContact OD1-N 2.89Å; D709-V712 VanDerWaalsContact OD1-N 3.1Å; V712-F714 PolarHBondContact O-N 2.89Å; V712-A716 WeakPolarHBondContact O-CB 3.46Å; V712-A716 PolarHBondContact O-N 2.97Å |
| 713 | K | 95.8 | Very high | 94.2 | Very high | 56 Ų | 56 | 55.9 Ų | 55.9 | 24% | 0.243 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.7 | -49.1 | 175 | -67.8 | 178.3 | -173.2 | 170.6 | 0 | 111.3 | V705 D707 D709 T710 D711 A716 Y717 F732 | V705-K713 WeakPolarHBondContact O-CG 3.44Å; D707-K713 WeakPolarHBondContact O-CE 3.41Å; D707-K713 PolarHBondContact O-NZ 2.74Å; D709-K713 WeakPolarHBondContact O-CG 3.06Å; D709-K713 PolarHBondContact O-N 3.36Å; T710-K713 PolarHBondContact O-N 2.83Å; D711-K713 VanDerWaalsContact C-N 3.34Å; D711-K713 PolarHBondContact O-N 2.8Å; K713-A716 PolarHBondContact O-N 3.49Å; K713-Y717 WeakPolarHBondContact O-CD2 3.25Å; K713-Y717 PolarHBondContact O-N 3.14Å; K713-F732 HydrophobicContact CB-CD2 4.4Å; K713-F732 HydrophobicContact CB-CE2 3.84Å; K713-F732 HydrophobicContact CB-CZ 3.95Å; K713-F732 HydrophobicContact CD-CE2 3.69Å; K713-F732 HydrophobicContact CD-CZ 4.19Å; K713-F732 HydrophobicContact CG-CE2 4.41Å |
| 714 | F | 94.5 | Very high | 93.9 | Very high | 54 Ų | 54 | 59.3 Ų | 59.3 | 24% | 0.237 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.4 | -56.2 | -177 | 173.5 | -97.1 | 0 | 0 | 0 | 111.6 | T710 D711 V712 A716 Y717 E718 F732 Y736 | T710-F714 WeakPolarHBondContact O-CB 3.34Å; T710-F714 PolarHBondContact O-N 3.22Å; D711-F714 PolarHBondContact O-N 3.42Å; V712-F714 PolarHBondContact O-N 2.89Å; F714-A716 VanDerWaalsContact C-N 3.27Å; F714-A716 PolarHBondContact O-N 2.85Å; F714-Y717 PolarHBondContact O-N 3Å; F714-E718 PolarHBondContact O-N 3.43Å; F714-F732 HydrophobicContact CB-CE1 4.41Å; F714-Y736 WeakPolarHBondContact CE2-OH 3.34Å |
| 715 | Y | 96 | Very high | 93.4 | Very high | 65 Ų | 65 | 59.7 Ų | 59.7 | 26% | 0.255 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.4 | -27.9 | -179.3 | -72.9 | -69.7 | 0 | 0 | 0 | 112.4 | F675 Q679 D711 E718 A719 | F675-Y715 HydrophobicContact CB-CD2 3.7Å; F675-Y715 HydrophobicContact CB-CG 4.27Å; F675-Y715 HydrophobicContact CD2-CD2 4.07Å; F675-Y715 HydrophobicContact CD2-CE2 4.25Å; F675-Y715 AromaticContact CG-CD2 3.91Å; F675-Y715 HydrophobicContact CG-CD2 3.91Å; F675-Y715 HydrophobicContact CG-CE2 4.32Å; Q679-Y715 HydrophobicContact CG-CD1 3.84Å; Q679-Y715 HydrophobicContact CG-CE1 4.35Å; Q679-Y715 HydrophobicContact CG-CG 4.25Å; D711-Y715 HydrophobicContact CB-CD2 4.45Å; D711-Y715 HydrophobicContact CB-CE2 4.48Å; D711-Y715 WeakPolarHBondContact O-CD2 3.13Å; D711-Y715 PolarHBondContact O-N 3.18Å; Y715-E718 VanDerWaalsContact CD1-OE2 3.26Å; Y715-E718 WeakPolarHBondContact CD1-OE2 3.31Å; Y715-A719 VanDerWaalsContact O-CB 3.27Å; Y715-A719 WeakPolarHBondContact O-CB 3.48Å; Y715-A719 PolarHBondContact O-N 2.92Å |
| 716 | A | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.1 | -45.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | A678 L701 L704 V705 V712 K713 F714 A719 M720 | A678-A716 HydrophobicContact CB-CB 4.32Å; L701-A716 HydrophobicContact CD2-CB 4.49Å; L704-A716 HydrophobicContact CB-CB 3.61Å; V705-A716 HydrophobicContact CG2-CB 3.76Å; V712-A716 WeakPolarHBondContact O-CB 3.46Å; V712-A716 PolarHBondContact O-N 2.97Å; K713-A716 PolarHBondContact O-N 3.49Å; F714-A716 VanDerWaalsContact C-N 3.27Å; F714-A716 PolarHBondContact O-N 2.85Å; A716-A719 PolarHBondContact O-N 3.39Å; A716-M720 VanDerWaalsContact O-CG 3.27Å; A716-M720 WeakPolarHBondContact O-CG 3.16Å; A716-M720 PolarHBondContact O-N 3.49Å |
| 717 | Y | 93.4 | Very high | 90.8 | Very high | 45 Ų | 45 | 59.9 Ų | 59.9 | 18% | 0.176 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 174.4 | -85.6 | -70.7 | 0 | 0 | 0 | 112.1 | V705 K713 F714 A719 M720 D721 S729 F732 | V705-Y717 HydrophobicContact CB-CE2 4.19Å; V705-Y717 HydrophobicContact CG1-CD2 4.34Å; V705-Y717 HydrophobicContact CG1-CE1 3.95Å; V705-Y717 HydrophobicContact CG1-CE2 3.5Å; V705-Y717 WeakPolarHBondContact CG1-OH 3.38Å; V705-Y717 HydrophobicContact CG2-CD1 4.12Å; V705-Y717 HydrophobicContact CG2-CD2 3.94Å; V705-Y717 HydrophobicContact CG2-CE1 4.16Å; V705-Y717 HydrophobicContact CG2-CE2 3.94Å; V705-Y717 HydrophobicContact CG2-CG 4.02Å; K713-Y717 WeakPolarHBondContact O-CD2 3.25Å; K713-Y717 PolarHBondContact O-N 3.14Å; F714-Y717 PolarHBondContact O-N 3Å; Y717-A719 VanDerWaalsContact C-N 3.32Å; Y717-A719 PolarHBondContact O-N 2.97Å; Y717-M720 PolarHBondContact O-N 3.4Å; Y717-D721 WeakPolarHBondContact O-CB 3.26Å; Y717-D721 PolarHBondContact O-N 3.16Å; Y717-S729 PolarHBondContact OH-OG 2.96Å; Y717-F732 HydrophobicContact CD1-CB 4.33Å; Y717-F732 HydrophobicContact CD2-CB 3.38Å; Y717-F732 AromaticContact CD2-CD2 3.89Å; Y717-F732 HydrophobicContact CD2-CD2 3.89Å; Y717-F732 AromaticContact CD2-CG 3.71Å; Y717-F732 HydrophobicContact CD2-CG 3.71Å; Y717-F732 HydrophobicContact CE1-CB 4.45Å; Y717-F732 HydrophobicContact CE2-CB 3.55Å; Y717-F732 AromaticContact CE2-CD2 3.59Å; Y717-F732 HydrophobicContact CE2-CD2 3.59Å; Y717-F732 AromaticContact CE2-CG 3.84Å; Y717-F732 HydrophobicContact CE2-CG 3.84Å; Y717-F732 HydrophobicContact CG-CB 3.82Å |
| 718 | E | 93.4 | Very high | 89 | Confident | 92 Ų | 92 | 65.7 Ų | 65.7 | 43% | 0.43 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.2 | -43 | 176.1 | -175.3 | -176.7 | -152.6 | 0 | 0 | 111.6 | F714 Y715 D721 T722 | F714-E718 PolarHBondContact O-N 3.43Å; Y715-E718 VanDerWaalsContact CD1-OE2 3.26Å; Y715-E718 WeakPolarHBondContact CD1-OE2 3.31Å; E718-D721 PolarHBondContact O-N 3.35Å; E718-T722 WeakPolarHBondContact O-CB 3.39Å; E718-T722 PolarHBondContact O-N 3.42Å; E718-T722 PolarHBondContact O-OG1 3.11Å |
| 719 | A | 94.6 | Very high | 87.1 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.008 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64 | -41.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A678 L701 Y715 A716 Y717 T722 L723 | A678-A719 WeakPolarHBondContact O-CB 3.43Å; L701-A719 HydrophobicContact CD1-CB 3.96Å; L701-A719 HydrophobicContact CD2-CB 3.73Å; Y715-A719 VanDerWaalsContact O-CB 3.27Å; Y715-A719 WeakPolarHBondContact O-CB 3.48Å; Y715-A719 PolarHBondContact O-N 2.92Å; A716-A719 PolarHBondContact O-N 3.39Å; Y717-A719 VanDerWaalsContact C-N 3.32Å; Y717-A719 PolarHBondContact O-N 2.97Å; A719-T722 PolarHBondContact O-N 3.03Å; A719-L723 WeakPolarHBondContact O-CB 3.38Å; A719-L723 VanDerWaalsContact O-CG 3.24Å; A719-L723 WeakPolarHBondContact O-CG 3.45Å; A719-L723 PolarHBondContact O-N 3.21Å |
| 720 | M | 92.8 | Very high | 85.1 | Confident | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.02 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 176.8 | -69.1 | -175.5 | 93.1 | 0 | 0 | 112.1 | L701 V705 A716 Y717 L723 K724 I725 T727 | L701-M720 HydrophobicContact CB-CE 4.35Å; L701-M720 HydrophobicContact CB-CG 3.59Å; L701-M720 HydrophobicContact CB-SD 3.96Å; L701-M720 HydrophobicContact CD1-CG 3.76Å; L701-M720 HydrophobicContact CG-CG 4.23Å; V705-M720 HydrophobicContact CG2-SD 3.62Å; A716-M720 VanDerWaalsContact O-CG 3.27Å; A716-M720 WeakPolarHBondContact O-CG 3.16Å; A716-M720 PolarHBondContact O-N 3.49Å; Y717-M720 PolarHBondContact O-N 3.4Å; M720-L723 CarbonylContact O-C 3.28Å; M720-L723 PolarHBondContact O-N 3.24Å; M720-K724 PolarHBondContact O-N 3.4Å; M720-I725 HydrophobicContact CB-CB 4.29Å; M720-I725 HydrophobicContact CE-CB 4.2Å; M720-I725 HydrophobicContact CE-CG2 3.53Å; M720-I725 PolarHBondContact O-N 3.45Å; M720-T727 HydrophobicContact CE-CG2 3.08Å; M720-T727 HydrophobicContact SD-CG2 3.68Å |
| 721 | D | 90.8 | Very high | 83.4 | Confident | 132 Ų | 132 | 71.3 Ų | 71.3 | 71% | 0.706 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -65.3 | -47.7 | 176.8 | -171.4 | 55.2 | 0 | 0 | 0 | 111.3 | Y717 E718 L723 K724 | Y717-D721 WeakPolarHBondContact O-CB 3.26Å; Y717-D721 PolarHBondContact O-N 3.16Å; E718-D721 PolarHBondContact O-N 3.35Å; D721-L723 PolarHBondContact O-N 2.66Å; D721-K724 PolarHBondContact O-N 2.7Å |
| 722 | T | 91.1 | Very high | 81.6 | Confident | 83 Ų | 83 | 70.8 Ų | 70.8 | 51% | 0.509 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -56.1 | -40 | 176.3 | -57.7 | 0 | 0 | 0 | 0 | 111.7 | E718 A719 | E718-T722 WeakPolarHBondContact O-CB 3.39Å; E718-T722 PolarHBondContact O-N 3.42Å; E718-T722 PolarHBondContact O-OG1 3.11Å; A719-T722 PolarHBondContact O-N 3.03Å |
| 723 | L | 91.3 | Very high | 79.5 | Confident | 30 Ų | 30 | 76 Ų | 76 | 16% | 0.157 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 3.4 | 179.5 | -60.9 | -179.7 | 0 | 0 | 0 | 113.9 | V697 L701 A719 M720 D721 I725 | V697-L723 HydrophobicContact CG1-CD1 3.77Å; L701-L723 HydrophobicContact CD1-CD1 4.18Å; A719-L723 WeakPolarHBondContact O-CB 3.38Å; A719-L723 VanDerWaalsContact O-CG 3.24Å; A719-L723 WeakPolarHBondContact O-CG 3.45Å; A719-L723 PolarHBondContact O-N 3.21Å; M720-L723 CarbonylContact O-C 3.28Å; M720-L723 PolarHBondContact O-N 3.24Å; D721-L723 PolarHBondContact O-N 2.66Å; L723-I725 HydrophobicContact CB-CD1 3.85Å; L723-I725 HydrophobicContact CB-CG1 3.87Å; L723-I725 HydrophobicContact CD1-CD1 4.15Å; L723-I725 PolarHBondContact O-N 3.4Å |
| 724 | K | 88.2 | Confident | 77.2 | Confident | 186 Ų | 186 | 76 Ų | 76 | 81% | 0.809 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 34.1 | -179.4 | -56.5 | 178.6 | -178.3 | 175.2 | 0 | 113.8 | M720 D721 T726 | M720-K724 PolarHBondContact O-N 3.4Å; D721-K724 PolarHBondContact O-N 2.7Å; K724-T726 PolarHBondContact O-N 2.96Å |
| 725 | I | 83.7 | Confident | 75.2 | Confident | 10 Ų | 10 | 81.4 Ų | 81.4 | 5% | 0.051 | 42% | 0.423 | C | S | . | . | trans | -78.6 | 115.5 | 179.1 | -62 | 172.6 | 0 | 0 | 0 | 108.2 | I693 V697 K698 L701 M720 L723 T727 | I693-I725 HydrophobicContact CG2-CD1 4.04Å; I693-I725 HydrophobicContact CG2-CG1 4.12Å; V697-I725 HydrophobicContact CG1-CD1 4.48Å; K698-I725 HydrophobicContact CB-CD1 4.25Å; K698-I725 HydrophobicContact CB-CG2 4.03Å; K698-I725 HydrophobicContact CD-CG2 3.67Å; K698-I725 HydrophobicContact CG-CG2 3.54Å; L701-I725 HydrophobicContact CD1-CD1 3.86Å; M720-I725 HydrophobicContact CB-CB 4.29Å; M720-I725 HydrophobicContact CE-CB 4.2Å; M720-I725 HydrophobicContact CE-CG2 3.53Å; M720-I725 PolarHBondContact O-N 3.45Å; L723-I725 HydrophobicContact CB-CD1 3.85Å; L723-I725 HydrophobicContact CB-CG1 3.87Å; L723-I725 HydrophobicContact CD1-CD1 4.15Å; L723-I725 PolarHBondContact O-N 3.4Å; I725-T727 PolarHBondContact O-N 3.5Å | ||
| 726 | T | 71.7 | Confident | 72.9 | Confident | 112 Ų | 112 | 86.2 Ų | 86.2 | 69% | 0.687 | 44% | 0.442 | S | S | * | . | trans | -67.8 | 124 | 178.9 | 44.2 | 0 | 0 | 0 | 0 | 111.5 | K724 | K724-T726 PolarHBondContact O-N 2.96Š| ||
| 727 | T | 62.5 | Low | 70.4 | Confident | 59 Ų | 59 | 92.7 Ų | 92.7 | 36% | 0.362 | 48% | 0.475 | S | S | . | . | trans | -116.9 | 143.6 | 173.9 | 53.1 | 0 | 0 | 0 | 0 | 111.8 | M720 I725 S729 | M720-T727 HydrophobicContact CE-CG2 3.08Å; M720-T727 HydrophobicContact SD-CG2 3.68Å; I725-T727 PolarHBondContact O-N 3.5Å; T727-S729 VanDerWaalsContact C-N 3.27Å; T727-S729 WeakPolarHBondContact CB-OG 3.47Å | ||
| 728 | S | 58.4 | Low | 67.5 | Low | 139 Ų | 139 | 99.4 Ų | 99.4 | 97% | 0.972 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -80.2 | -7.4 | 170.1 | 53.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 729 | S | 53.9 | Low | 64.9 | Low | 47 Ų | 47 | 100.6 Ų | 100.6 | 33% | 0.329 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -78.5 | 143.1 | -179.9 | 51.2 | 0 | 0 | 0 | 0 | 111.7 | Y717 T727 | Y717-S729 PolarHBondContact OH-OG 2.96Å; T727-S729 VanDerWaalsContact C-N 3.27Å; T727-S729 WeakPolarHBondContact CB-OG 3.47Å |
| 730 | K | 55.6 | Low | 62.1 | Low | 186 Ų | 186 | 108 Ų | 108 | 81% | 0.809 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -57 | 141.5 | 174.6 | -73.1 | -179.7 | 177 | 179.6 | 0 | 109.8 | F732 | K730-F732 PolarHBondContact O-N 3.39Š|
| 731 | P | 57.3 | Low | 59.3 | Low | 113 Ų | 113 | 115.5 Ų | 115.5 | 73% | 0.734 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 132.5 | 177.8 | 22.3 | -31.6 | 0 | 0 | 0 | 110.4 | Q733 | P731-Q733 PolarHBondContact O-N 3.17Š|
| 732 | F | 56.5 | Low | 56.7 | Low | 72 Ų | 72 | 116.8 Ų | 116.8 | 32% | 0.316 | 59% | 0.592 | S | S | . | * | trans | -66.5 | 113.4 | 177.7 | -165.5 | -101.3 | 0 | 0 | 0 | 109.3 | T710 K713 F714 Y717 K730 C734 | T710-F732 HydrophobicContact CG2-CZ 4.1Å; K713-F732 HydrophobicContact CB-CD2 4.4Å; K713-F732 HydrophobicContact CB-CE2 3.84Å; K713-F732 HydrophobicContact CB-CZ 3.95Å; K713-F732 HydrophobicContact CD-CE2 3.69Å; K713-F732 HydrophobicContact CD-CZ 4.19Å; K713-F732 HydrophobicContact CG-CE2 4.41Å; F714-F732 HydrophobicContact CB-CE1 4.41Å; Y717-F732 HydrophobicContact CD1-CB 4.33Å; Y717-F732 HydrophobicContact CD2-CB 3.38Å; Y717-F732 AromaticContact CD2-CD2 3.89Å; Y717-F732 HydrophobicContact CD2-CD2 3.89Å; Y717-F732 AromaticContact CD2-CG 3.71Å; Y717-F732 HydrophobicContact CD2-CG 3.71Å; Y717-F732 HydrophobicContact CE1-CB 4.45Å; Y717-F732 HydrophobicContact CE2-CB 3.55Å; Y717-F732 AromaticContact CE2-CD2 3.59Å; Y717-F732 HydrophobicContact CE2-CD2 3.59Å; Y717-F732 AromaticContact CE2-CG 3.84Å; Y717-F732 HydrophobicContact CE2-CG 3.84Å; Y717-F732 HydrophobicContact CG-CB 3.82Å; K730-F732 PolarHBondContact O-N 3.39Å; F732-C734 PolarHBondContact O-N 3.04Å | ||
| 733 | Q | 53.5 | Low | 54 | Low | 111 Ų | 111 | 119.3 Ų | 119.3 | 52% | 0.519 | 60% | 0.603 | S | S | . | * | trans | -96.9 | 93.7 | -172.8 | -156.5 | 152.1 | 10 | 0 | 0 | 108.9 | P731 S758 | P731-Q733 PolarHBondContact O-N 3.17Å; Q733-S758 VanDerWaalsContact NE2-CB 3.29Å; Q733-S758 PolarHBondContact NE2-OG 2.92Å; Q733-S758 VanDerWaalsContact NE2-OG 3.1Å | ||
| 734 | C | 47.5 | Very low | 51.3 | Low | 56 Ų | 56 | 122.6 Ų | 122.6 | 38% | 0.378 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -90.5 | 129.7 | 174.1 | -156.5 | 0 | 0 | 0 | 0 | 109.5 | F732 Y736 | F732-C734 PolarHBondContact O-N 3.04Å; C734-Y736 HydrophobicContact CB-CE2 4.41Å |
| 735 | Y | 51.9 | Low | 48.7 | Very low | 166 Ų | 166 | 117 Ų | 117 | 65% | 0.651 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -96 | 117.1 | 175.2 | -62.5 | -88.2 | 0 | 0 | 0 | 108.3 | ||
| 736 | Y | 47.8 | Very low | 46.3 | Very low | 166 Ų | 166 | 123.8 Ų | 123.8 | 65% | 0.651 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -94 | 127.9 | 173.2 | -50.6 | -84 | 0 | 0 | 0 | 109.3 | F714 C734 K738 | F714-Y736 WeakPolarHBondContact CE2-OH 3.34Å; C734-Y736 HydrophobicContact CB-CE2 4.41Å; Y736-K738 PolarHBondContact O-N 3.46Å; Y736-K738 VanDerWaalsContact O-N 3.16Å |
| 737 | I | 41.8 | Very low | 44.5 | Very low | 137 Ų | 137 | 125.7 Ų | 125.7 | 70% | 0.703 | 66% | 0.655 | S | S | * | * | trans | -78.3 | 97.6 | 163.2 | -57.8 | 175.4 | 0 | 0 | 0 | 106.3 | V739 | I737-V739 HydrophobicContact CG2-CG2 4.03Å; I737-V739 PolarHBondContact O-N 3.31Å; I737-V739 VanDerWaalsContact O-N 3.08Å | ||
| 738 | K | 34.2 | Very low | 42.9 | Very low | 186 Ų | 186 | 129.2 Ų | 129.2 | 81% | 0.809 | 67% | 0.671 | S | S | * | * | trans | -76.6 | 94.6 | 168.5 | -162 | 174.3 | -172.2 | 176.3 | 0 | 107.3 | Y736 K740 | Y736-K738 PolarHBondContact O-N 3.46Å; Y736-K738 VanDerWaalsContact O-N 3.16Å; K738-K740 VanDerWaalsContact C-N 3.34Å; K738-K740 PolarHBondContact O-N 3.04Å | ||
| 739 | V | 38.5 | Very low | 41.8 | Very low | 116 Ų | 116 | 128.5 Ų | 128.5 | 70% | 0.703 | 66% | 0.663 | S | S | * | * | trans | -63.9 | 98.1 | 171.7 | -176.9 | 0 | 0 | 0 | 0 | 107.1 | I737 Q741 | I737-V739 HydrophobicContact CG2-CG2 4.03Å; I737-V739 PolarHBondContact O-N 3.31Å; I737-V739 VanDerWaalsContact O-N 3.08Å; V739-Q741 PolarHBondContact O-N 3Å | ||
| 740 | K | 34.6 | Very low | 40.7 | Very low | 157 Ų | 157 | 132.9 Ų | 132.9 | 68% | 0.683 | 68% | 0.682 | S | S | * | * | trans | -71.1 | 115 | 165.2 | -86 | -173.3 | 174.8 | -176.9 | 0 | 106.3 | K738 N742 | K738-K740 VanDerWaalsContact C-N 3.34Å; K738-K740 PolarHBondContact O-N 3.04Å; K740-N742 PolarHBondContact O-N 2.79Å | ||
| 741 | Q | 35.4 | Very low | 39.5 | Very low | 161 Ų | 161 | 132.5 Ų | 132.5 | 75% | 0.752 | 68% | 0.683 | S | S | * | * | trans | -59.5 | 121.5 | 162.1 | -77 | 176.9 | -27 | 0 | 0 | 107 | V739 N743 | V739-Q741 PolarHBondContact O-N 3Å; Q741-N743 PolarHBondContact O-N 2.79Å | ||
| 742 | N | 34.7 | Very low | 38.3 | Very low | 160 Ų | 160 | 134.8 Ų | 134.8 | 86% | 0.856 | 69% | 0.689 | S | S | * | * | trans | -66.3 | 80.9 | 168 | -91.4 | -5.8 | 0 | 0 | 0 | 107.8 | K740 S744 | K740-N742 PolarHBondContact O-N 2.79Å; N742-S744 VanDerWaalsContact C-N 3.31Å; N742-S744 PolarHBondContact O-N 2.97Å | ||
| 743 | N | 36 | Very low | 37.2 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | trans | -78.6 | 94.5 | 159.3 | -73.6 | 0 | 0 | 0 | 0 | 105.4 | Q741 | Q741-N743 PolarHBondContact O-N 2.79Š| ||
| 744 | S | 34.3 | Very low | 36.1 | Very low | 99 Ų | 99 | 142.6 Ų | 142.6 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | trans | -52.5 | 144.2 | 164.9 | 49.9 | 0 | 0 | 0 | 0 | 108.7 | N742 | N742-S744 VanDerWaalsContact C-N 3.31Å; N742-S744 PolarHBondContact O-N 2.97Å | ||
| 745 | S | 33.2 | Very low | 35.4 | Very low | 68 Ų | 68 | 145.4 Ų | 145.4 | 48% | 0.476 | 74% | 0.742 | S | S | . | * | trans | 94.7 | 73.7 | -179.5 | -33.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 746 | N | 34.1 | Very low | 34.4 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | 177.3 | 97.6 | 130.1 | -94.3 | -23.8 | 0 | 0 | 0 | 110.8 | N748 | N746-N748 PolarHBondContact O-N 2.79Š| ||
| 747 | D | 32 | Very low | 33.8 | Very low | 151 Ų | 151 | 140.5 Ų | 140.5 | 81% | 0.807 | 75% | 0.754 | S | S | * | * | trans | -71.1 | 92.3 | 167.6 | -68.8 | -45 | 0 | 0 | 0 | 109.7 | ||||
| 748 | N | 30.3 | Very low | 33.5 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | trans | -126.6 | 133.3 | 154.2 | -95.1 | -34.9 | 0 | 0 | 0 | 107.9 | N746 I750 | N746-N748 PolarHBondContact O-N 2.79Å; N748-I750 PolarHBondContact O-N 2.97Å | ||
| 749 | P | 34.1 | Very low | 33.2 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 81% | 0.805 | 72% | 0.722 | S | S | * | * | trans | -67.1 | 102.9 | -174.3 | 28.4 | -33.6 | 0 | 0 | 0 | 108.6 | Q751 | P749-Q751 PolarHBondContact O-N 3.12Å; P749-Q751 VanDerWaalsContact O-N 3.09Å | ||
| 750 | I | 32.1 | Very low | 33.1 | Very low | 139 Ų | 139 | 131.4 Ų | 131.4 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | trans | -54.3 | 115.9 | 176.6 | -63.8 | 168.9 | 0 | 0 | 0 | 107.1 | N748 N752 | N748-I750 PolarHBondContact O-N 2.97Å; I750-N752 PolarHBondContact O-N 3.39Å | ||
| 751 | Q | 29.4 | Very low | 33 | Very low | 179 Ų | 179 | 129.9 Ų | 129.9 | 84% | 0.836 | 73% | 0.727 | S | S | * | * | trans | -52.8 | 126 | 170.5 | -75.7 | 177.9 | -20.7 | 0 | 0 | 108 | P749 E753 | P749-Q751 PolarHBondContact O-N 3.12Å; P749-Q751 VanDerWaalsContact O-N 3.09Å; Q751-E753 PolarHBondContact O-N 3.02Å | ||
| 752 | N | 31.7 | Very low | 32.9 | Very low | 161 Ų | 161 | 127.7 Ų | 127.7 | 86% | 0.861 | 72% | 0.724 | S | S | * | * | trans | -58.1 | 85.6 | 172.6 | -75.9 | -25.1 | 0 | 0 | 0 | 109.1 | I750 L754 | I750-N752 PolarHBondContact O-N 3.39Å; N752-L754 PolarHBondContact O-N 3.45Å | ||
| 753 | E | 33.1 | Very low | 32.7 | Very low | 170 Ų | 170 | 126 Ų | 126 | 79% | 0.794 | 72% | 0.72 | S | S | * | * | trans | -55.2 | 123.2 | 157.2 | -99.8 | -175.6 | 156.8 | 0 | 0 | 106.1 | Q751 L755 | Q751-E753 PolarHBondContact O-N 3.02Å; E753-L755 PolarHBondContact O-N 3.39Å | ||
| 754 | L | 30.4 | Very low | 32.5 | Very low | 177 Ų | 177 | 123.6 Ų | 123.6 | 93% | 0.927 | 72% | 0.719 | S | S | * | * | trans | -59.6 | 85.4 | 173.2 | -81.1 | 122.3 | 0 | 0 | 0 | 108.5 | N752 | N752-L754 PolarHBondContact O-N 3.45Š| ||
| 755 | L | 32.9 | Very low | 32.3 | Very low | 115 Ų | 115 | 123.1 Ų | 123.1 | 60% | 0.602 | 72% | 0.721 | S | S | * | * | trans | -63.9 | 132.8 | 169.7 | -79.2 | 155.7 | 0 | 0 | 0 | 107.3 | E753 T759 | E753-L755 PolarHBondContact O-N 3.39Å; L755-T759 HydrophobicContact CD1-CG2 4.31Å; L755-T759 HydrophobicContact CD2-CG2 4.3Å | ||
| 756 | P | 31 | Very low | 32.1 | Very low | 98 Ų | 98 | 123.2 Ų | 123.2 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | trans | -56.5 | 146 | 177.4 | 21.3 | -29.5 | 0 | 0 | 0 | 109.4 | S758 T759 | P756-S758 PolarHBondContact O-N 3.25Å; P756-T759 PolarHBondContact O-N 2.76Å; P756-T759 VanDerWaalsContact O-N 3.17Å; P756-T759 PolarHBondContact O-OG1 3.24Å | ||
| 757 | S | 36.8 | Very low | 31.9 | Very low | 131 Ų | 131 | 124.7 Ų | 124.7 | 92% | 0.916 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | 17.5 | -168.3 | 50.9 | 0 | 0 | 0 | 0 | 116.7 | ||
| 758 | S | 33.9 | Very low | 31.8 | Very low | 59 Ų | 59 | 124.8 Ų | 124.8 | 41% | 0.413 | 73% | 0.733 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -122.3 | 11.8 | 177.7 | -51.6 | 0 | 0 | 0 | 0 | 113.2 | Q733 P756 | Q733-S758 VanDerWaalsContact NE2-CB 3.29Å; Q733-S758 PolarHBondContact NE2-OG 2.92Å; Q733-S758 VanDerWaalsContact NE2-OG 3.1Å; P756-S758 PolarHBondContact O-N 3.25Å |
| 759 | T | 29.4 | Very low | 31.8 | Very low | 72 Ų | 72 | 127.7 Ų | 127.7 | 44% | 0.442 | 74% | 0.742 | S | S | . | * | trans | -92.6 | 107.5 | 175.9 | -48.6 | 0 | 0 | 0 | 0 | 110 | L755 P756 | L755-T759 HydrophobicContact CD1-CG2 4.31Å; L755-T759 HydrophobicContact CD2-CG2 4.3Å; P756-T759 PolarHBondContact O-N 2.76Å; P756-T759 VanDerWaalsContact O-N 3.17Å; P756-T759 PolarHBondContact O-OG1 3.24Å | ||
| 760 | T | 35.5 | Very low | 31.6 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 71% | 0.712 | 74% | 0.742 | S | S | * | * | trans | -96.2 | 111.7 | 169.2 | -53.6 | 0 | 0 | 0 | 0 | 108.9 | V762 | T760-V762 HydrophobicContact CG2-CG2 4.48Š| ||
| 761 | T | 32.9 | Very low | 31.3 | Very low | 126 Ų | 126 | 130.3 Ų | 130.3 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | trans | -77.5 | 115.7 | 169.1 | 16 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 762 | V | 34.1 | Very low | 31.3 | Very low | 114 Ų | 114 | 127.8 Ų | 127.8 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | trans | -96.9 | 112.5 | 169.6 | -177 | 0 | 0 | 0 | 0 | 107.8 | T760 | T760-V762 HydrophobicContact CG2-CG2 4.48Š| ||
| 763 | T | 30 | Very low | 31.2 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 76% | 0.761 | 74% | 0.744 | S | S | * | * | trans | -81.6 | 120.6 | 168.4 | 48.5 | 0 | 0 | 0 | 0 | 108.3 | A765 | T763-A765 PolarHBondContact O-N 3.48Š| ||
| 764 | A | 32.5 | Very low | 30.8 | Very low | 87 Ų | 87 | 126.1 Ų | 126.1 | 72% | 0.719 | 75% | 0.747 | S | S | * | * | trans | -61.9 | 109.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | G766 | A764-G766 PolarHBondContact O-N 2.94Š| ||
| 765 | A | 29.3 | Very low | 30.8 | Very low | 89 Ų | 89 | 123.1 Ų | 123.1 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | trans | -77.4 | 117.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109 | T763 | T763-A765 PolarHBondContact O-N 3.48Š| ||
| 766 | G | 29.1 | Very low | 30.5 | Very low | 69 Ų | 69 | 123.6 Ų | 123.6 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | trans | 39.8 | 87.8 | 156 | 0 | 0 | 0 | 0 | 0 | 117 | A764 | A764-G766 PolarHBondContact O-N 2.94Š| ||
| 767 | F | 29.8 | Very low | 30.5 | Very low | 184 Ų | 184 | 124.6 Ų | 124.6 | 81% | 0.807 | 76% | 0.764 | S | S | * | * | trans | -87.5 | 103.7 | 152.1 | -74.5 | -82.6 | 0 | 0 | 0 | 106.9 | E769 | F767-E769 PolarHBondContact O-N 3.08Š| ||
| 768 | D | 30.6 | Very low | 29.9 | Very low | 154 Ų | 154 | 124 Ų | 124 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | trans | -56.7 | 130.8 | 170.5 | -77.8 | -34.5 | 0 | 0 | 0 | 109.1 | V770 | D768-V770 PolarHBondContact O-N 3.2Å; D768-V770 VanDerWaalsContact O-N 3.13Å | ||
| 769 | E | 29.6 | Very low | 29.6 | Very low | 193 Ų | 193 | 126.6 Ų | 126.6 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | trans | -50.2 | 114.2 | -179.2 | -72.1 | 174.2 | 146.3 | 0 | 0 | 110.9 | F767 E771 | F767-E769 PolarHBondContact O-N 3.08Å; E769-E771 PolarHBondContact O-N 2.77Å | ||
| 770 | V | 28.7 | Very low | 29.4 | Very low | 133 Ų | 133 | 129.3 Ų | 129.3 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | -74.8 | 106.6 | 169.4 | 179.1 | 0 | 0 | 0 | 0 | 107.3 | D768 T772 | D768-V770 PolarHBondContact O-N 3.2Å; D768-V770 VanDerWaalsContact O-N 3.13Å; V770-T772 PolarHBondContact O-N 3.04Å | ||
| 771 | E | 27.2 | Very low | 29.1 | Very low | 185 Ų | 185 | 128.8 Ų | 128.8 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -45.7 | 108.2 | 175 | -74.6 | 179.7 | 148.1 | 0 | 0 | 111.7 | E769 V773 | E769-E771 PolarHBondContact O-N 2.77Å; E771-V773 PolarHBondContact O-N 3.35Å | ||
| 772 | T | 28.6 | Very low | 28.7 | Very low | 127 Ų | 127 | 128 Ų | 128 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | trans | -73.3 | 109.4 | 170.2 | 43.1 | 0 | 0 | 0 | 0 | 109.6 | V770 N774 | V770-T772 PolarHBondContact O-N 3.04Å; T772-N774 PolarHBondContact O-N 3.49Å; T772-N774 VanDerWaalsContact O-N 3.11Å | ||
| 773 | V | 28.9 | Very low | 28.5 | Very low | 135 Ų | 135 | 128.6 Ų | 128.6 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -62.7 | 109.5 | 176.1 | 178.5 | 0 | 0 | 0 | 0 | 110.1 | E771 S775 | E771-V773 PolarHBondContact O-N 3.35Å; V773-S775 PolarHBondContact O-N 3.16Å; V773-S775 VanDerWaalsContact O-N 3.16Å | ||
| 774 | N | 26.6 | Very low | 28.4 | Very low | 160 Ų | 160 | 127.5 Ų | 127.5 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | -55.4 | 111.4 | 170.7 | -79.2 | -31.4 | 0 | 0 | 0 | 111 | T772 | T772-N774 PolarHBondContact O-N 3.49Å; T772-N774 VanDerWaalsContact O-N 3.11Å | ||
| 775 | S | 30.3 | Very low | 28.2 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -121.1 | 106.4 | 160.1 | 50.4 | 0 | 0 | 0 | 0 | 109.2 | V773 | V773-S775 PolarHBondContact O-N 3.16Å; V773-S775 VanDerWaalsContact O-N 3.16Å | ||
| 776 | S | 26.1 | Very low | 28.2 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | trans | -71 | 120.2 | 179.8 | 40.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 777 | S | 29.8 | Very low | 28.1 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | -161 | 123.6 | 142.9 | 51.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 778 | S | 25.7 | Very low | 28 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -61.7 | 127.3 | 178.7 | 49.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 779 | S | 26.6 | Very low | 27.8 | Very low | 114 Ų | 114 | 135 Ų | 135 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -168.9 | 133.6 | 133.5 | 49.2 | 0 | 0 | 0 | 0 | 110.5 | S781 | S779-S781 PolarHBondContact O-N 3.06Š| ||
| 780 | S | 25.9 | Very low | 27.8 | Very low | 128 Ų | 128 | 130.9 Ų | 130.9 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | trans | -64.7 | 110.9 | -176.8 | 51.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 781 | S | 27.8 | Very low | 27.8 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | -148.6 | 128.8 | 156.3 | 53.2 | 0 | 0 | 0 | 0 | 107.7 | S779 | S779-S781 PolarHBondContact O-N 3.06Š| ||
| 782 | S | 25.6 | Very low | 28 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | -33.9 | 137.4 | -176.4 | -35.9 | 0 | 0 | 0 | 0 | 113.5 | S784 | S782-S784 PolarHBondContact O-N 3.24Š| ||
| 783 | P | 29.8 | Very low | 28.2 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -64.5 | 104.3 | -176.5 | 27 | -31.1 | 0 | 0 | 0 | 108.4 | E785 | P783-E785 PolarHBondContact O-N 3.02Å; P783-E785 VanDerWaalsContact O-N 3.12Å | ||
| 784 | S | 28.7 | Very low | 28.8 | Very low | 101 Ų | 101 | 125.3 Ų | 125.3 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | -56.4 | 116.3 | 163.1 | 50 | 0 | 0 | 0 | 0 | 106.5 | S782 L786 | S782-S784 PolarHBondContact O-N 3.24Å; S784-L786 PolarHBondContact O-N 2.85Å | ||
| 785 | E | 27.8 | Very low | 29.3 | Very low | 175 Ų | 175 | 124.7 Ų | 124.7 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | -40.8 | 102.7 | 171.6 | -70 | 171.4 | 154.3 | 0 | 0 | 108.7 | P783 N787 | P783-E785 PolarHBondContact O-N 3.02Å; P783-E785 VanDerWaalsContact O-N 3.12Å; E785-N787 PolarHBondContact O-N 3.5Å | ||
| 786 | L | 28.9 | Very low | 29.8 | Very low | 151 Ų | 151 | 121.4 Ų | 121.4 | 79% | 0.791 | 72% | 0.72 | S | S | * | * | trans | -62.7 | 95.3 | 161.2 | -93.2 | 140 | 0 | 0 | 0 | 104 | S784 N788 | S784-L786 PolarHBondContact O-N 2.85Å; L786-N788 PolarHBondContact O-N 3.38Å | ||
| 787 | N | 28.1 | Very low | 30.2 | Very low | 123 Ų | 123 | 119.8 Ų | 119.8 | 66% | 0.658 | 70% | 0.702 | S | S | * | * | trans | -53 | 90.4 | 161.7 | -105.5 | -15.6 | 0 | 0 | 0 | 105.9 | E785 H789 | E785-N787 PolarHBondContact O-N 3.5Å; N787-H789 PolarHBondContact O-N 3.21Å | ||
| 788 | N | 26.6 | Very low | 30.7 | Very low | 148 Ų | 148 | 118.9 Ų | 118.9 | 79% | 0.791 | 70% | 0.695 | S | S | * | * | trans | -69.6 | 58.4 | 166.7 | -78.3 | -16 | 0 | 0 | 0 | 107.6 | L786 C790 | L786-N788 PolarHBondContact O-N 3.38Å; N788-C790 VanDerWaalsContact C-N 3.27Å; N788-C790 PolarHBondContact O-N 3.48Å | ||
| 789 | H | 26.8 | Very low | 31 | Very low | 143 Ų | 143 | 117.5 Ų | 117.5 | 66% | 0.662 | 69% | 0.685 | S | S | * | * | trans | -63.1 | 104.2 | 150.9 | -75.9 | -54.3 | 0 | 0 | 0 | 104.5 | N787 I791 | N787-H789 PolarHBondContact O-N 3.21Å; H789-I791 PolarHBondContact O-N 3.02Å | ||
| 790 | C | 29 | Very low | 31 | Very low | 107 Ų | 107 | 117 Ų | 117 | 72% | 0.723 | 67% | 0.673 | S | S | * | * | trans | -52.3 | 98.4 | 163.7 | -174.9 | 0 | 0 | 0 | 0 | 106.4 | N788 I792 | N788-C790 VanDerWaalsContact C-N 3.27Å; N788-C790 PolarHBondContact O-N 3.48Å; C790-I792 PolarHBondContact O-N 3.25Å | ||
| 791 | I | 30 | Very low | 31.1 | Very low | 155 Ų | 155 | 116 Ų | 116 | 80% | 0.795 | 67% | 0.666 | S | S | * | * | trans | -70.8 | 90.3 | 167 | -60.4 | 175.6 | 0 | 0 | 0 | 103.3 | H789 D793 | H789-I791 PolarHBondContact O-N 3.02Å; I791-D793 VanDerWaalsContact C-N 3.33Å; I791-D793 PolarHBondContact O-N 2.82Å | ||
| 792 | I | 29.6 | Very low | 31.3 | Very low | 96 Ų | 96 | 117.8 Ų | 117.8 | 49% | 0.492 | 67% | 0.666 | S | S | . | * | trans | -64.5 | 103.1 | 167.9 | -58.1 | 175.1 | 0 | 0 | 0 | 104.3 | C790 L797 | C790-I792 PolarHBondContact O-N 3.25Å; I792-L797 HydrophobicContact CG2-CD1 4.38Å; I792-L797 HydrophobicContact CG2-CG 4Å | ||
| 793 | D | 34 | Very low | 31.3 | Very low | 75 Ų | 75 | 118.3 Ų | 118.3 | 40% | 0.401 | 66% | 0.664 | S | S | . | * | trans | -66.2 | 147.1 | 171.5 | 79.2 | 7.6 | 0 | 0 | 0 | 108.9 | I791 Q795 S796 | I791-D793 VanDerWaalsContact C-N 3.33Å; I791-D793 PolarHBondContact O-N 2.82Å; D793-Q795 PolarHBondContact O-N 3.36Å; D793-Q795 WeakPolarHBondContact OD1-CB 3.19Å; D793-Q795 PolarHBondContact OD1-N 3.43Å; D793-S796 VanDerWaalsContact O-CB 3.29Å; D793-S796 WeakPolarHBondContact O-CB 3.36Å; D793-S796 PolarHBondContact O-N 2.86Å; D793-S796 WeakPolarHBondContact OD1-CB 3.38Å; D793-S796 PolarHBondContact OD1-N 3.39Å; D793-S796 PolarHBondContact OD1-OG 3.3Å | ||
| 794 | D | 40.4 | Very low | 31.3 | Very low | 137 Ų | 137 | 118.5 Ų | 118.5 | 73% | 0.733 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -60.8 | -17.7 | -178.8 | -76.5 | -37.2 | 0 | 0 | 0 | 112.4 | L797 S798 | D794-L797 PolarHBondContact O-N 3.15Å; D794-S798 PolarHBondContact O-N 3.14Å |
| 795 | Q | 37.9 | Very low | 31.2 | Very low | 147 Ų | 147 | 120.9 Ų | 120.9 | 69% | 0.687 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -70.5 | -34.3 | 175.4 | -63.5 | -169.4 | 8 | 0 | 0 | 111.7 | D793 L797 S798 S799 | D793-Q795 PolarHBondContact O-N 3.36Å; D793-Q795 WeakPolarHBondContact OD1-CB 3.19Å; D793-Q795 PolarHBondContact OD1-N 3.43Å; Q795-L797 VanDerWaalsContact C-N 3.29Å; Q795-L797 PolarHBondContact O-N 3.17Å; Q795-S798 PolarHBondContact O-N 3.26Å; Q795-S798 VanDerWaalsContact O-N 3.16Å; Q795-S798 PolarHBondContact O-OG 3.19Å; Q795-S799 PolarHBondContact O-OG 2.95Å |
| 796 | S | 39.8 | Very low | 31.4 | Very low | 46 Ų | 46 | 119.2 Ų | 119.2 | 32% | 0.322 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -63.2 | -33.9 | 175.7 | -55.7 | 0 | 0 | 0 | 0 | 112.1 | D793 S799 | D793-S796 VanDerWaalsContact O-CB 3.29Å; D793-S796 WeakPolarHBondContact O-CB 3.36Å; D793-S796 PolarHBondContact O-N 2.86Å; D793-S796 WeakPolarHBondContact OD1-CB 3.38Å; D793-S796 PolarHBondContact OD1-N 3.39Å; D793-S796 PolarHBondContact OD1-OG 3.3Å; S796-S799 PolarHBondContact O-OG 3.37Å; S796-S799 VanDerWaalsContact O-OG 3.13Å |
| 797 | L | 35.4 | Very low | 31.3 | Very low | 91 Ų | 91 | 118.9 Ų | 118.9 | 48% | 0.476 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -74.4 | -32 | 175.2 | -74.5 | 169.6 | 0 | 0 | 0 | 112.3 | I792 D794 Q795 S799 L800 | I792-L797 HydrophobicContact CG2-CD1 4.38Å; I792-L797 HydrophobicContact CG2-CG 4Å; D794-L797 PolarHBondContact O-N 3.15Å; Q795-L797 VanDerWaalsContact C-N 3.29Å; Q795-L797 PolarHBondContact O-N 3.17Å; L797-S799 PolarHBondContact O-N 3.17Å; L797-L800 HydrophobicContact CD2-CD1 4.25Å; L797-L800 PolarHBondContact O-N 2.79Å |
| 798 | S | 40.1 | Very low | 31.3 | Very low | 101 Ų | 101 | 118.8 Ų | 118.8 | 71% | 0.706 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -69.1 | -19 | -178.8 | 75 | 0 | 0 | 0 | 0 | 114.2 | D794 Q795 | D794-S798 PolarHBondContact O-N 3.14Å; Q795-S798 PolarHBondContact O-N 3.26Å; Q795-S798 VanDerWaalsContact O-N 3.16Å; Q795-S798 PolarHBondContact O-OG 3.19Å |
| 799 | S | 31.9 | Very low | 31.3 | Very low | 88 Ų | 88 | 118.6 Ų | 118.6 | 62% | 0.615 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -4.2 | -178.9 | 34.2 | 0 | 0 | 0 | 0 | 113.9 | Q795 S796 L797 S801 | Q795-S799 PolarHBondContact O-OG 2.95Å; S796-S799 PolarHBondContact O-OG 3.37Å; S796-S799 VanDerWaalsContact O-OG 3.13Å; L797-S799 PolarHBondContact O-N 3.17Å; S799-S801 PolarHBondContact O-N 2.92Å |
| 800 | L | 26.9 | Very low | 31.7 | Very low | 105 Ų | 105 | 116.8 Ų | 116.8 | 55% | 0.55 | 67% | 0.673 | S | S | . | * | trans | -81.4 | 85 | 174.9 | -68.2 | 169.4 | 0 | 0 | 0 | 110.4 | L797 I802 | L797-L800 HydrophobicContact CD2-CD1 4.25Å; L797-L800 PolarHBondContact O-N 2.79Å; L800-I802 PolarHBondContact O-N 3.45Å | ||
| 801 | S | 27.5 | Very low | 31.7 | Very low | 105 Ų | 105 | 120 Ų | 120 | 73% | 0.734 | 68% | 0.681 | S | S | * | * | trans | -71.7 | 115.4 | 168.7 | 63 | 0 | 0 | 0 | 0 | 110.2 | S799 V803 | S799-S801 PolarHBondContact O-N 2.92Å; S801-V803 PolarHBondContact O-N 3.41Å; S801-V803 VanDerWaalsContact O-N 3.17Å | ||
| 802 | I | 32.1 | Very low | 31.4 | Very low | 144 Ų | 144 | 117.9 Ų | 117.9 | 74% | 0.738 | 68% | 0.675 | S | S | * | * | trans | -66.7 | 109.8 | 172 | -61.3 | 171.1 | 0 | 0 | 0 | 107.3 | L800 N804 | L800-I802 PolarHBondContact O-N 3.45Å; I802-N804 PolarHBondContact O-N 3.01Å | ||
| 803 | V | 26.9 | Very low | 31.3 | Very low | 121 Ų | 121 | 122.6 Ų | 122.6 | 73% | 0.733 | 70% | 0.695 | S | S | * | * | trans | -71.1 | 94.8 | 171 | -178.1 | 0 | 0 | 0 | 0 | 107.6 | S801 D805 | S801-V803 PolarHBondContact O-N 3.41Å; S801-V803 VanDerWaalsContact O-N 3.17Å; V803-D805 PolarHBondContact O-N 3.34Å | ||
| 804 | N | 29.9 | Very low | 30.8 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 69% | 0.69 | 71% | 0.709 | S | S | * | * | trans | -76.5 | 99.9 | 171.6 | -89.4 | -10.1 | 0 | 0 | 0 | 109.4 | I802 L806 | I802-N804 PolarHBondContact O-N 3.01Å; N804-L806 PolarHBondContact O-N 2.75Å | ||
| 805 | D | 26.2 | Very low | 30.3 | Very low | 152 Ų | 152 | 126.7 Ų | 126.7 | 81% | 0.813 | 72% | 0.717 | S | S | * | * | trans | -71.5 | 74.2 | 164.6 | -88.6 | -20.7 | 0 | 0 | 0 | 110.1 | V803 | V803-D805 PolarHBondContact O-N 3.34Š| ||
| 806 | L | 31.9 | Very low | 29.7 | Very low | 139 Ų | 139 | 125.9 Ų | 125.9 | 73% | 0.728 | 72% | 0.717 | S | S | * | * | trans | -132.6 | 88.7 | 166 | -87.5 | 159.2 | 0 | 0 | 0 | 108.8 | N804 T808 | N804-L806 PolarHBondContact O-N 2.75Å; L806-T808 VanDerWaalsContact C-N 3.32Å; L806-T808 PolarHBondContact O-N 3.05Å | ||
| 807 | T | 26 | Very low | 29.3 | Very low | 144 Ų | 144 | 131.3 Ų | 131.3 | 88% | 0.883 | 74% | 0.743 | S | S | * | * | trans | -62.4 | 89.3 | 166.2 | 50.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 808 | T | 28 | Very low | 28.7 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | trans | -147.6 | 107.8 | 157.8 | 20 | 0 | 0 | 0 | 0 | 108.6 | L806 | L806-T808 VanDerWaalsContact C-N 3.32Å; L806-T808 PolarHBondContact O-N 3.05Å | ||
| 809 | T | 26.8 | Very low | 28.2 | Very low | 144 Ų | 144 | 136.7 Ų | 136.7 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | trans | -64.4 | 158.7 | -179.9 | 28.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 810 | P | 35.7 | Very low | 27.9 | Very low | 105 Ų | 105 | 137.3 Ų | 137.3 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | trans | -107.1 | 150.9 | -135.9 | 37.7 | -32.2 | 0 | 0 | 0 | 114.4 | ||||
| 811 | I | 27.7 | Very low | 28 | Very low | 175 Ų | 175 | 140.5 Ų | 140.5 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | trans | -94.6 | 112.6 | 159.6 | -61.3 | 175.1 | 0 | 0 | 0 | 106.8 | ||||
| 812 | V | 25.6 | Very low | 27.8 | Very low | 109 Ų | 109 | 143.5 Ų | 143.5 | 66% | 0.661 | 79% | 0.792 | S | S | * | * | trans | -74.3 | 127.4 | 177.6 | 173.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 813 | E | 27.2 | Very low | 27.6 | Very low | 195 Ų | 195 | 146.2 Ų | 146.2 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | trans | -146.4 | 107.7 | 148.2 | -109.8 | 175.7 | -162.3 | 0 | 0 | 108.9 | ||||
| 814 | D | 24 | Very low | 27.4 | Very low | 132 Ų | 132 | 145.9 Ų | 145.9 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | -58.7 | 136.4 | 173.1 | -82.2 | -45.9 | 0 | 0 | 0 | 111.2 | ||||
| 815 | N | 29.4 | Very low | 27.2 | Very low | 167 Ų | 167 | 148.9 Ų | 148.9 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | -153.8 | 105.4 | 139.3 | -91.4 | -37.8 | 0 | 0 | 0 | 110 | ||||
| 816 | N | 24.9 | Very low | 27.1 | Very low | 130 Ų | 130 | 146.6 Ų | 146.6 | 70% | 0.695 | 81% | 0.807 | S | S | * | * | trans | -52.6 | 138.6 | 159.3 | -80.3 | -41.8 | 0 | 0 | 0 | 110.3 | ||||
| 817 | D | 30.4 | Very low | 26.8 | Very low | 160 Ų | 160 | 146.3 Ų | 146.3 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | -167.9 | 128.5 | 109.4 | -95.3 | -25.4 | 0 | 0 | 0 | 112.5 | |||||
| 818 | N | 24.4 | Very low | 26.7 | Very low | 137 Ų | 137 | 145.5 Ų | 145.5 | 73% | 0.733 | 81% | 0.809 | S | S | * | * | trans | -61.9 | 139.9 | 175.4 | -65.7 | -65 | 0 | 0 | 0 | 111.4 | ||||
| 819 | N | 29.8 | Very low | 26.6 | Very low | 168 Ų | 168 | 147.3 Ų | 147.3 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | trans | -159 | 108.6 | 136.9 | -95.9 | -33 | 0 | 0 | 0 | 111.5 | ||||
| 820 | S | 24.2 | Very low | 26.5 | Very low | 101 Ų | 101 | 146 Ų | 146 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | trans | -76.9 | 137.4 | 164.4 | 48.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 821 | L | 29 | Very low | 26.1 | Very low | 172 Ų | 172 | 148.5 Ų | 148.5 | 90% | 0.901 | 81% | 0.812 | S | S | * | * | trans | -168.2 | 104.3 | 144.8 | -105.8 | 144.9 | 0 | 0 | 0 | 110.8 | ||||
| 822 | L | 23.3 | Very low | 25.8 | Very low | 168 Ų | 168 | 146.6 Ų | 146.6 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | trans | -58.6 | 127.6 | 164.4 | -71.8 | 133.1 | 0 | 0 | 0 | 110.5 | ||||
| 823 | K | 27.8 | Very low | 25.8 | Very low | 200 Ų | 200 | 147.2 Ų | 147.2 | 87% | 0.87 | 81% | 0.808 | S | S | * | * | trans | -149.6 | 116 | 147.2 | -108.1 | 175.8 | -173.9 | 179.7 | 0 | 109.6 | ||||
| 824 | S | 23.1 | Very low | 25.9 | Very low | 114 Ų | 114 | 144.9 Ų | 144.9 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -58.5 | 124.9 | 171.6 | 43.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 825 | Q | 26 | Very low | 26 | Very low | 193 Ų | 193 | 144.2 Ų | 144.2 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | -168.5 | 137 | 146.6 | -104.9 | 165.4 | 25.9 | 0 | 0 | 109.1 | ||||
| 826 | S | 23.3 | Very low | 26.1 | Very low | 103 Ų | 103 | 142.9 Ų | 142.9 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | trans | -49.3 | 146.7 | -169.8 | -28.1 | 0 | 0 | 0 | 0 | 114 | T828 | S826-T828 PolarHBondContact O-N 3.39Š| ||
| 827 | P | 25.8 | Very low | 26.3 | Very low | 133 Ų | 133 | 144 Ų | 144 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | -72 | 104.1 | -162.5 | 29 | -33 | 0 | 0 | 0 | 110.9 | ||||
| 828 | T | 24.2 | Very low | 26.2 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | -85.9 | 112.5 | 159.2 | -39.6 | 0 | 0 | 0 | 0 | 106 | S826 V830 | S826-T828 PolarHBondContact O-N 3.39Å; T828-V830 PolarHBondContact O-N 3.32Å | ||
| 829 | L | 26.9 | Very low | 26.3 | Very low | 160 Ų | 160 | 140.8 Ų | 140.8 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | trans | -48.9 | 111 | 176.5 | -84.3 | 152.7 | 0 | 0 | 0 | 110.1 | N831 | L829-N831 VanDerWaalsContact C-N 3.34Å; L829-N831 PolarHBondContact O-N 3.18Å | ||
| 830 | V | 24 | Very low | 26.4 | Very low | 118 Ų | 118 | 139.2 Ų | 139.2 | 72% | 0.715 | 81% | 0.806 | S | S | * | * | trans | -74.4 | 90.5 | 175.2 | 179.1 | 0 | 0 | 0 | 0 | 107.7 | T828 N832 | T828-V830 PolarHBondContact O-N 3.32Å; V830-N832 VanDerWaalsContact C-N 3.31Å; V830-N832 PolarHBondContact O-N 3.38Å | ||
| 831 | N | 26.3 | Very low | 26.6 | Very low | 157 Ų | 157 | 141.9 Ų | 141.9 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | trans | -69.1 | 90.7 | 163.2 | -88.3 | -13.7 | 0 | 0 | 0 | 108.6 | L829 | L829-N831 VanDerWaalsContact C-N 3.34Å; L829-N831 PolarHBondContact O-N 3.18Å | ||
| 832 | N | 22.7 | Very low | 26.6 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 72% | 0.717 | 80% | 0.803 | S | S | * | * | trans | -78.5 | 135.2 | 162.4 | -97.3 | -17.1 | 0 | 0 | 0 | 109.1 | V830 | V830-N832 VanDerWaalsContact C-N 3.31Å; V830-N832 PolarHBondContact O-N 3.38Å | ||
| 833 | T | 25.5 | Very low | 26.6 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 86.6 | 82.4 | 172.8 | 74.1 | 0 | 0 | 0 | 0 | 116.6 | ||
| 834 | N | 28.6 | Very low | 26.5 | Very low | 146 Ų | 146 | 141.5 Ų | 141.5 | 78% | 0.781 | 82% | 0.823 | S | S | * | * | 177.4 | 121.8 | 104.6 | -85 | -29 | 0 | 0 | 0 | 108.7 | V836 | N834-V836 PolarHBondContact O-N 3.49Š| |||
| 835 | S | 27.3 | Very low | 26.7 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | -58.2 | 101.5 | 172.4 | 52.5 | 0 | 0 | 0 | 0 | 109.7 | D837 | S835-D837 PolarHBondContact O-N 3.44Š| ||
| 836 | V | 29.8 | Very low | 26.7 | Very low | 139 Ų | 139 | 140.3 Ų | 140.3 | 84% | 0.842 | 82% | 0.82 | S | S | * | * | trans | -89.2 | 101.9 | 166.1 | -179.3 | 0 | 0 | 0 | 0 | 106.7 | N834 G838 | N834-V836 PolarHBondContact O-N 3.49Å; V836-G838 PolarHBondContact O-N 3.44Å | ||
| 837 | D | 29.5 | Very low | 26.9 | Very low | 154 Ų | 154 | 142.3 Ų | 142.3 | 82% | 0.824 | 83% | 0.825 | S | S | * | * | trans | -53.6 | 126.9 | 166.9 | -88.8 | -40.5 | 0 | 0 | 0 | 110.3 | S835 | S835-D837 PolarHBondContact O-N 3.44Š| ||
| 838 | G | 28.6 | Very low | 27 | Very low | 68 Ų | 68 | 142.9 Ų | 142.9 | 70% | 0.701 | 82% | 0.823 | S | S | * | * | S | Bend | trans | 66 | 107.3 | 137 | 0 | 0 | 0 | 0 | 0 | 118.8 | V836 | V836-G838 PolarHBondContact O-N 3.44Š|
| 839 | N | 27.4 | Very low | 27.2 | Very low | 162 Ų | 162 | 143.9 Ų | 143.9 | 87% | 0.866 | 83% | 0.826 | S | S | * | * | trans | 70.6 | 81.1 | 140.8 | -107.1 | 13.5 | 0 | 0 | 0 | 117.2 | ||||
| 840 | V | 30.6 | Very low | 27.2 | Very low | 134 Ų | 134 | 142.8 Ų | 142.8 | 81% | 0.812 | 83% | 0.825 | S | S | * | * | trans | -130.6 | 91.5 | 148.1 | -174 | 0 | 0 | 0 | 0 | 108.7 | C842 | V840-C842 PolarHBondContact O-N 3.36Š| ||
| 841 | N | 28.5 | Very low | 27.4 | Very low | 158 Ų | 158 | 144.6 Ų | 144.6 | 85% | 0.845 | 83% | 0.833 | S | S | * | * | trans | -65.5 | 117 | 154.3 | -100.7 | -4.7 | 0 | 0 | 0 | 107.2 | ||||
| 842 | C | 30.4 | Very low | 27.5 | Very low | 104 Ų | 104 | 143.6 Ų | 143.6 | 70% | 0.703 | 83% | 0.833 | S | S | * | * | trans | -148.8 | 103.6 | 153.1 | -88.3 | 0 | 0 | 0 | 0 | 107.8 | V840 N844 | V840-C842 PolarHBondContact O-N 3.36Å; C842-N844 PolarHBondContact O-N 3.44Å | ||
| 843 | E | 23 | Very low | 27.9 | Very low | 193 Ų | 193 | 144.4 Ų | 144.4 | 90% | 0.902 | 84% | 0.842 | S | S | * | * | trans | -61.4 | 112.4 | 149 | -72 | 175.6 | 149.2 | 0 | 0 | 107.5 | ||||
| 844 | N | 25.6 | Very low | 28.1 | Very low | 235 Ų | 235 | 146.5 Ų | 146.5 | 100% | 1.257 | 85% | 0.851 | S | S | * | * | trans | 172.2 | 0 | 153.3 | -85.8 | -21.3 | 0 | 0 | 0 | 107.1 | C842 | C842-N844 PolarHBondContact O-N 3.44Š|
Retrieved 844 of 844 residues in 1321.4 ms
(Link to these results)