| 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 | 40.5 | Very low | 51.7 | Low | 222 Ų | 222 | 111.1 Ų | 111.1 | 100% | 1.094 | 61% | 0.607 | S | S | * | * | 0 | 63.8 | 0 | -85 | -174.5 | 167.2 | 0 | 0 | 107.6 | N3 | M1-N3 PolarHBondContact O-N 3.17Å; M1-N3 VanDerWaalsContact O-N 3.1Å | |||
| 2 | E | 40.4 | Very low | 53.5 | Low | 158 Ų | 158 | 115 Ų | 115 | 74% | 0.738 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -80.3 | 20 | -175.9 | -65.3 | 102.4 | 120.4 | 0 | 0 | 114.4 | V5 | E2-V5 WeakPolarHBondContact O-CG2 3.46Š|
| 3 | N | 42.5 | Very low | 55 | Low | 164 Ų | 164 | 108.6 Ų | 108.6 | 88% | 0.877 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -103.1 | 5.1 | -172 | -67 | 6.4 | 0 | 0 | 0 | 114.3 | M1 | M1-N3 PolarHBondContact O-N 3.17Å; M1-N3 VanDerWaalsContact O-N 3.1Å |
| 4 | A | 43.8 | Very low | 56.3 | Low | 69 Ų | 69 | 101.1 Ų | 101.1 | 57% | 0.57 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -105.5 | 19 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q6 | A4-Q6 PolarHBondContact O-N 3.46Š|
| 5 | V | 42.6 | Very low | 57.6 | Low | 97 Ų | 97 | 100.6 Ų | 100.6 | 59% | 0.588 | 53% | 0.53 | S | S | * | . | trans | -70.9 | 121.1 | -178.5 | 170.6 | 0 | 0 | 0 | 0 | 109.9 | E2 | E2-V5 WeakPolarHBondContact O-CG2 3.46Š| ||
| 6 | Q | 45.2 | Very low | 58.7 | Low | 156 Ų | 156 | 99.1 Ų | 99.1 | 73% | 0.729 | 52% | 0.522 | S | S | * | . | trans | 65.9 | 76 | 171.2 | -59.3 | 164.5 | 34.4 | 0 | 0 | 116 | A4 P8 | A4-Q6 PolarHBondContact O-N 3.46Å; Q6-P8 VanDerWaalsContact O-CD 3.28Å; Q6-P8 WeakPolarHBondContact O-CD 3.42Å | ||
| 7 | S | 52.6 | Low | 59.6 | Low | 60 Ų | 60 | 94.4 Ų | 94.4 | 42% | 0.42 | 50% | 0.499 | S | S | . | . | trans | -77.4 | 102.7 | 138.3 | 43.8 | 0 | 0 | 0 | 0 | 108 | D9 L10 | S7-D9 PolarHBondContact O-N 3.1Å; S7-D9 VanDerWaalsContact O-N 3.15Å; S7-L10 PolarHBondContact O-N 3.05Å | ||
| 8 | P | 56.2 | Low | 60.5 | Low | 78 Ų | 78 | 94.8 Ų | 94.8 | 51% | 0.506 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.2 | -25.7 | -170 | 26.3 | -35.3 | 0 | 0 | 0 | 112.6 | Q6 R12 | Q6-P8 VanDerWaalsContact O-CD 3.28Å; Q6-P8 WeakPolarHBondContact O-CD 3.42Å; P8-R12 WeakPolarHBondContact O-CB 3.41Å; P8-R12 VanDerWaalsContact O-CG 3.28Å; P8-R12 WeakPolarHBondContact O-CG 3.3Å; P8-R12 PolarHBondContact O-N 3.1Å |
| 9 | D | 68 | Low | 61.3 | Low | 94 Ų | 94 | 91.8 Ų | 91.8 | 50% | 0.503 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -75.6 | -23.8 | -178.4 | -56.9 | -51.4 | 0 | 0 | 0 | 113.3 | S7 R12 L13 | S7-D9 PolarHBondContact O-N 3.1Å; S7-D9 VanDerWaalsContact O-N 3.15Å; D9-R12 IonicContact OD1-NH1 3.92Å; D9-R12 PolarHBondContact OD1-NH1 3.03Å; D9-R12 VanDerWaalsContact OD1-NH1 3.11Å; D9-L13 WeakPolarHBondContact O-CB 3.37Å; D9-L13 VanDerWaalsContact O-CG 3.3Å; D9-L13 WeakPolarHBondContact O-CG 3.38Å; D9-L13 PolarHBondContact O-N 3.28Å |
| 10 | L | 67.8 | Low | 61.9 | Low | 32 Ų | 32 | 95.7 Ų | 95.7 | 17% | 0.168 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -74.2 | -42.2 | 173.1 | -99.2 | 162.9 | 0 | 0 | 0 | 112 | S7 R12 L13 L14 L32 V43 | S7-L10 PolarHBondContact O-N 3.05Å; L10-R12 VanDerWaalsContact C-N 3.33Å; L10-L13 PolarHBondContact O-N 3.46Å; L10-L14 WeakPolarHBondContact O-CG 3.43Å; L10-L14 PolarHBondContact O-N 2.74Å; L10-L32 HydrophobicContact CD2-CD2 3.91Å; L10-V43 HydrophobicContact CD1-CG2 3.98Å; L10-V43 HydrophobicContact CD2-CG1 3.79Å; L10-V43 HydrophobicContact CD2-CG2 4.49Å |
| 11 | L | 69.2 | Low | 62.5 | Low | 92 Ų | 92 | 95 Ų | 95 | 48% | 0.482 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -42.1 | 170.4 | -82.8 | 157.8 | 0 | 0 | 0 | 111.2 | L13 L14 D15 | L11-L13 PolarHBondContact O-N 3.09Å; L11-L14 PolarHBondContact O-N 3.39Å; L11-D15 PolarHBondContact O-N 3.12Å |
| 12 | R | 73.3 | Confident | 64.3 | Low | 158 Ų | 158 | 89.6 Ų | 89.6 | 60% | 0.596 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59.5 | -42.1 | 171.9 | -77.5 | 166.7 | 149.9 | -173.6 | -8.1 | 112.7 | P8 D9 L10 L14 D15 L16 | P8-R12 WeakPolarHBondContact O-CB 3.41Å; P8-R12 VanDerWaalsContact O-CG 3.28Å; P8-R12 WeakPolarHBondContact O-CG 3.3Å; P8-R12 PolarHBondContact O-N 3.1Å; D9-R12 IonicContact OD1-NH1 3.92Å; D9-R12 PolarHBondContact OD1-NH1 3.03Å; D9-R12 VanDerWaalsContact OD1-NH1 3.11Å; L10-R12 VanDerWaalsContact C-N 3.33Å; R12-L14 VanDerWaalsContact C-N 3.34Å; R12-L14 PolarHBondContact O-N 3.15Å; R12-D15 PolarHBondContact O-N 3.41Å; R12-L16 WeakPolarHBondContact O-CB 3.34Å; R12-L16 WeakPolarHBondContact O-CG 3.48Å; R12-L16 PolarHBondContact O-N 3.23Å |
| 13 | L | 72.4 | Confident | 66.1 | Low | 32 Ų | 32 | 91.6 Ų | 91.6 | 17% | 0.168 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 176.7 | -79.8 | 169.2 | 0 | 0 | 0 | 112 | D9 L10 L11 D15 L16 V17 A28 A31 L32 | D9-L13 WeakPolarHBondContact O-CB 3.37Å; D9-L13 VanDerWaalsContact O-CG 3.3Å; D9-L13 WeakPolarHBondContact O-CG 3.38Å; D9-L13 PolarHBondContact O-N 3.28Å; L10-L13 PolarHBondContact O-N 3.46Å; L11-L13 PolarHBondContact O-N 3.09Å; L13-D15 VanDerWaalsContact C-N 3.32Å; L13-D15 PolarHBondContact O-N 3.43Å; L13-L16 PolarHBondContact O-N 3.32Å; L13-V17 WeakPolarHBondContact O-CB 3.45Å; L13-V17 PolarHBondContact O-N 3.2Å; L13-A28 HydrophobicContact CD2-CB 4.11Å; L13-A31 HydrophobicContact CD1-CB 4.33Å; L13-A31 HydrophobicContact CD2-CB 3.76Å; L13-L32 HydrophobicContact CB-CD1 4.42Å; L13-L32 HydrophobicContact CB-CD2 3.78Å; L13-L32 HydrophobicContact CB-CG 3.98Å; L13-L32 HydrophobicContact CD1-CD2 4.18Å; L13-L32 HydrophobicContact CD1-CG 4.49Å |
| 14 | L | 74.3 | Confident | 68 | Low | 4 Ų | 4 | 86.3 Ų | 86.3 | 2% | 0.021 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -65.5 | -32.2 | 174.4 | -67.1 | 171.9 | 0 | 0 | 0 | 112.8 | L10 L11 R12 V17 K18 L32 L46 M59 | L10-L14 WeakPolarHBondContact O-CG 3.43Å; L10-L14 PolarHBondContact O-N 2.74Å; L11-L14 PolarHBondContact O-N 3.39Å; R12-L14 VanDerWaalsContact C-N 3.34Å; R12-L14 PolarHBondContact O-N 3.15Å; L14-V17 WeakPolarHBondContact O-CB 3.27Å; L14-K18 WeakPolarHBondContact O-CE 3.46Å; L14-K18 WeakPolarHBondContact O-CG 3.38Å; L14-L32 HydrophobicContact CD2-CD1 4.14Å; L14-L46 HydrophobicContact CD1-CD2 3.75Å; L14-L46 HydrophobicContact CD1-CG 3.96Å; L14-M59 HydrophobicContact CD2-CE 3.46Å; L14-M59 VanDerWaalsContact CD2-CE 3.46Å |
| 15 | D | 75.4 | Confident | 69.8 | Low | 93 Ų | 93 | 83.4 Ų | 83.4 | 50% | 0.497 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -81.9 | -30.7 | 174.8 | -70.6 | -20.6 | 0 | 0 | 0 | 113.3 | L11 R12 L13 V17 K18 S19 | L11-D15 PolarHBondContact O-N 3.12Å; R12-D15 PolarHBondContact O-N 3.41Å; L13-D15 VanDerWaalsContact C-N 3.32Å; L13-D15 PolarHBondContact O-N 3.43Å; D15-V17 VanDerWaalsContact C-N 3.32Å; D15-K18 WeakPolarHBondContact O-CB 3.28Å; D15-K18 PolarHBondContact O-N 3.11Å; D15-K18 VanDerWaalsContact O-N 3.12Å; D15-K18 IonicContact OD1-NZ 2.8Å; D15-K18 PolarHBondContact OD1-NZ 3.04Å; D15-S19 PolarHBondContact O-N 2.91Å |
| 16 | L | 75.5 | Confident | 71.5 | Confident | 76 Ų | 76 | 81.3 Ų | 81.3 | 40% | 0.398 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67.9 | -32.3 | 170.1 | -70.5 | 166.1 | 0 | 0 | 0 | 111.6 | R12 L13 K18 S19 V24 A28 | R12-L16 WeakPolarHBondContact O-CB 3.34Å; R12-L16 WeakPolarHBondContact O-CG 3.48Å; R12-L16 PolarHBondContact O-N 3.23Å; L13-L16 PolarHBondContact O-N 3.32Å; L16-K18 PolarHBondContact O-N 3.44Å; L16-S19 WeakPolarHBondContact O-CB 3.42Å; L16-S19 PolarHBondContact O-N 3.24Å; L16-S19 VanDerWaalsContact O-N 3.09Å; L16-S19 PolarHBondContact O-OG 3.45Å; L16-V24 HydrophobicContact CB-CG1 4.3Å; L16-V24 HydrophobicContact CD2-CG1 3.66Å; L16-A28 HydrophobicContact CB-CB 3.8Å |
| 17 | V | 73.9 | Confident | 73.3 | Confident | 20 Ų | 20 | 78.9 Ų | 78.9 | 12% | 0.121 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -57.6 | -35.4 | 167.6 | 145.8 | 0 | 0 | 0 | 0 | 112.4 | L13 L14 D15 S19 A28 F29 L32 | L13-V17 WeakPolarHBondContact O-CB 3.45Å; L13-V17 PolarHBondContact O-N 3.2Å; L14-V17 WeakPolarHBondContact O-CB 3.27Å; D15-V17 VanDerWaalsContact C-N 3.32Å; V17-S19 PolarHBondContact O-N 3.11Å; V17-A28 HydrophobicContact CG2-CB 4.02Å; V17-F29 HydrophobicContact CB-CE1 4.33Å; V17-F29 HydrophobicContact CB-CE2 4.3Å; V17-F29 HydrophobicContact CB-CZ 4.05Å; V17-F29 HydrophobicContact CG1-CE1 3.82Å; V17-F29 HydrophobicContact CG1-CE2 3.97Å; V17-F29 HydrophobicContact CG1-CZ 3.36Å; V17-F29 HydrophobicContact CG2-CD1 3.68Å; V17-F29 HydrophobicContact CG2-CD2 3.98Å; V17-F29 HydrophobicContact CG2-CE1 3.54Å; V17-F29 HydrophobicContact CG2-CE2 3.83Å; V17-F29 HydrophobicContact CG2-CG 3.9Å; V17-F29 HydrophobicContact CG2-CZ 3.64Å; V17-L32 HydrophobicContact CG2-CD1 3.52Å |
| 18 | K | 75 | Confident | 74.7 | Confident | 101 Ų | 101 | 76.1 Ų | 76.1 | 44% | 0.439 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 2.3 | 177.9 | -59.6 | 161.4 | -158.8 | 155.2 | 0 | 112.9 | L14 D15 L16 | L14-K18 WeakPolarHBondContact O-CE 3.46Å; L14-K18 WeakPolarHBondContact O-CG 3.38Å; D15-K18 WeakPolarHBondContact O-CB 3.28Å; D15-K18 PolarHBondContact O-N 3.11Å; D15-K18 VanDerWaalsContact O-N 3.12Å; D15-K18 IonicContact OD1-NZ 2.8Å; D15-K18 PolarHBondContact OD1-NZ 3.04Å; L16-K18 PolarHBondContact O-N 3.44Å |
| 19 | S | 75.6 | Confident | 75.9 | Confident | 39 Ų | 39 | 73.1 Ų | 73.1 | 27% | 0.273 | 37% | 0.372 | S | S | . | . | trans | -73 | 145.7 | 179.8 | 72.8 | 0 | 0 | 0 | 0 | 112.6 | D15 L16 V17 D21 | D15-S19 PolarHBondContact O-N 2.91Å; L16-S19 WeakPolarHBondContact O-CB 3.42Å; L16-S19 PolarHBondContact O-N 3.24Å; L16-S19 VanDerWaalsContact O-N 3.09Å; L16-S19 PolarHBondContact O-OG 3.45Å; V17-S19 PolarHBondContact O-N 3.11Å; S19-D21 PolarHBondContact O-N 3.4Å | ||
| 20 | N | 73.3 | Confident | 76.6 | Confident | 168 Ų | 168 | 71.7 Ų | 71.7 | 90% | 0.898 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -74.1 | -3.1 | 176.8 | -73.8 | -54.1 | 0 | 0 | 0 | 113.7 | ||
| 21 | D | 75.5 | Confident | 77.3 | Confident | 82 Ų | 82 | 72 Ų | 72 | 44% | 0.439 | 38% | 0.375 | S | S | . | . | trans | -87.6 | 122.6 | 176.5 | -171.5 | -28.5 | 0 | 0 | 0 | 110 | S19 R23 V24 S25 | S19-D21 PolarHBondContact O-N 3.4Å; D21-R23 VanDerWaalsContact C-N 3.26Å; D21-R23 PolarHBondContact O-N 3.01Å; D21-R23 WeakPolarHBondContact OD1-CB 3.47Å; D21-R23 PolarHBondContact OD1-N 3.16Å; D21-V24 HydrophobicContact CB-CB 4.04Å; D21-V24 HydrophobicContact CB-CG2 3.98Å; D21-S25 VanDerWaalsContact O-CB 3.29Å; D21-S25 WeakPolarHBondContact O-CB 3.42Å; D21-S25 PolarHBondContact O-N 3.23Å; D21-S25 PolarHBondContact O-OG 2.93Å | ||
| 22 | V | 77.8 | Confident | 77.9 | Confident | 109 Ų | 109 | 67.6 Ų | 67.6 | 66% | 0.661 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -63.4 | -31.9 | -179.3 | -177.8 | 0 | 0 | 0 | 0 | 111.8 | S25 S26 | V22-S25 PolarHBondContact O-OG 3.29Å; V22-S26 WeakPolarHBondContact O-CB 3.45Å; V22-S26 PolarHBondContact O-N 3.08Å |
| 23 | R | 79.3 | Confident | 78.3 | Confident | 199 Ų | 199 | 65.7 Ų | 65.7 | 75% | 0.751 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -74.8 | -57.9 | 177.3 | -64.6 | -174.6 | 176.5 | -158.4 | -1.8 | 110.6 | D21 S25 S26 D27 | D21-R23 VanDerWaalsContact C-N 3.26Å; D21-R23 PolarHBondContact O-N 3.01Å; D21-R23 WeakPolarHBondContact OD1-CB 3.47Å; D21-R23 PolarHBondContact OD1-N 3.16Å; R23-S25 VanDerWaalsContact C-N 3.29Å; R23-S25 PolarHBondContact O-N 3.24Å; R23-S26 CarbonylContact O-C 3.59Å; R23-S26 WeakPolarHBondContact O-CA 3.44Å; R23-S26 WeakPolarHBondContact O-CB 3.41Å; R23-S26 PolarHBondContact O-N 3.38Å; R23-D27 VanDerWaalsContact O-CG 3.3Å; R23-D27 PolarHBondContact O-N 3.43Å |
| 24 | V | 81 | Confident | 78.7 | Confident | 54 Ų | 54 | 69 Ų | 69 | 33% | 0.327 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57.9 | -41.4 | -178.4 | -178.5 | 0 | 0 | 0 | 0 | 111.8 | L16 D21 A28 | L16-V24 HydrophobicContact CB-CG1 4.3Å; L16-V24 HydrophobicContact CD2-CG1 3.66Å; D21-V24 HydrophobicContact CB-CB 4.04Å; D21-V24 HydrophobicContact CB-CG2 3.98Å; V24-A28 VanDerWaalsContact O-CB 3.25Å; V24-A28 WeakPolarHBondContact O-CB 3.39Å; V24-A28 PolarHBondContact O-N 3.28Å |
| 25 | S | 81.6 | Confident | 79 | Confident | 7 Ų | 7 | 70.4 Ų | 70.4 | 5% | 0.049 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.2 | -40.7 | 173.6 | 60.8 | 0 | 0 | 0 | 0 | 112.3 | D21 V22 R23 A28 F29 K58 | D21-S25 VanDerWaalsContact O-CB 3.29Å; D21-S25 WeakPolarHBondContact O-CB 3.42Å; D21-S25 PolarHBondContact O-N 3.23Å; D21-S25 PolarHBondContact O-OG 2.93Å; V22-S25 PolarHBondContact O-OG 3.29Å; R23-S25 VanDerWaalsContact C-N 3.29Å; R23-S25 PolarHBondContact O-N 3.24Å; S25-A28 PolarHBondContact O-N 3.34Å; S25-F29 WeakPolarHBondContact O-CD2 3.29Å; S25-F29 PolarHBondContact O-N 3.38Å; S25-K58 PolarHBondContact OG-NZ 3.08Å |
| 26 | S | 79.4 | Confident | 79.3 | Confident | 54 Ų | 54 | 66 Ų | 66 | 38% | 0.378 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 176.2 | -167.5 | 0 | 0 | 0 | 0 | 112.4 | V22 R23 A28 F29 C30 | V22-S26 WeakPolarHBondContact O-CB 3.45Å; V22-S26 PolarHBondContact O-N 3.08Å; R23-S26 CarbonylContact O-C 3.59Å; R23-S26 WeakPolarHBondContact O-CA 3.44Å; R23-S26 WeakPolarHBondContact O-CB 3.41Å; R23-S26 PolarHBondContact O-N 3.38Å; S26-A28 VanDerWaalsContact C-N 3.33Å; S26-F29 PolarHBondContact O-N 3.44Å; S26-C30 PolarHBondContact O-N 2.75Å; S26-C30 PolarHBondContact O-SG 2.88Å; S26-C30 VanDerWaalsContact O-SG 3.35Å |
| 27 | D | 81.8 | Confident | 79.4 | Confident | 104 Ų | 104 | 64.1 Ų | 64.1 | 56% | 0.556 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -66.7 | -37.4 | 179.1 | -62.2 | -28.4 | 0 | 0 | 0 | 110.7 | R23 C30 A31 | R23-D27 VanDerWaalsContact O-CG 3.3Å; R23-D27 PolarHBondContact O-N 3.43Å; D27-C30 PolarHBondContact O-N 3.07Å; D27-A31 WeakPolarHBondContact O-CB 3.24Å; D27-A31 PolarHBondContact O-N 2.76Å |
| 28 | A | 81.6 | Confident | 79.6 | Confident | 3 Ų | 3 | 69 Ų | 69 | 3% | 0.025 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L13 L16 V17 V24 S25 S26 A31 L32 | L13-A28 HydrophobicContact CD2-CB 4.11Å; L16-A28 HydrophobicContact CB-CB 3.8Å; V17-A28 HydrophobicContact CG2-CB 4.02Å; V24-A28 VanDerWaalsContact O-CB 3.25Å; V24-A28 WeakPolarHBondContact O-CB 3.39Å; V24-A28 PolarHBondContact O-N 3.28Å; S25-A28 PolarHBondContact O-N 3.34Å; S26-A28 VanDerWaalsContact C-N 3.33Å; A28-A31 PolarHBondContact O-N 2.6Å; A28-L32 WeakPolarHBondContact O-CB 3.48Å; A28-L32 VanDerWaalsContact O-CG 3.32Å; A28-L32 WeakPolarHBondContact O-CG 3.19Å; A28-L32 PolarHBondContact O-N 2.76Å |
| 29 | F | 82.9 | Confident | 79.3 | Confident | 15 Ų | 15 | 65.5 Ų | 65.5 | 7% | 0.066 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65 | -37.7 | 172.9 | -81.1 | -61.2 | 0 | 0 | 0 | 112.5 | V17 S25 S26 R33 K58 M59 T62 | V17-F29 HydrophobicContact CB-CE1 4.33Å; V17-F29 HydrophobicContact CB-CE2 4.3Å; V17-F29 HydrophobicContact CB-CZ 4.05Å; V17-F29 HydrophobicContact CG1-CE1 3.82Å; V17-F29 HydrophobicContact CG1-CE2 3.97Å; V17-F29 HydrophobicContact CG1-CZ 3.36Å; V17-F29 HydrophobicContact CG2-CD1 3.68Å; V17-F29 HydrophobicContact CG2-CD2 3.98Å; V17-F29 HydrophobicContact CG2-CE1 3.54Å; V17-F29 HydrophobicContact CG2-CE2 3.83Å; V17-F29 HydrophobicContact CG2-CG 3.9Å; V17-F29 HydrophobicContact CG2-CZ 3.64Å; S25-F29 WeakPolarHBondContact O-CD2 3.29Å; S25-F29 PolarHBondContact O-N 3.38Å; S26-F29 PolarHBondContact O-N 3.44Å; F29-R33 VanDerWaalsContact O-CB 3.28Å; F29-R33 WeakPolarHBondContact O-CB 3.48Å; F29-R33 PolarHBondContact O-N 2.84Å; F29-K58 HydrophobicContact CD1-CB 4.35Å; F29-K58 HydrophobicContact CD2-CB 3.74Å; F29-K58 HydrophobicContact CD2-CD 3.62Å; F29-K58 HydrophobicContact CD2-CG 4.33Å; F29-K58 HydrophobicContact CE1-CB 3.97Å; F29-K58 HydrophobicContact CE2-CB 3.33Å; F29-K58 HydrophobicContact CE2-CD 3.42Å; F29-K58 VanDerWaalsContact CE2-CD 3.42Å; F29-K58 HydrophobicContact CE2-CG 4.04Å; F29-K58 HydrophobicContact CG-CB 4.25Å; F29-K58 HydrophobicContact CZ-CB 3.43Å; F29-K58 VanDerWaalsContact CZ-CB 3.43Å; F29-K58 HydrophobicContact CZ-CD 4.34Å; F29-M59 HydrophobicContact CE1-CB 3.88Å; F29-M59 HydrophobicContact CE1-SD 3.98Å; F29-M59 HydrophobicContact CZ-CB 4.37Å; F29-T62 VanDerWaalsContact CD1-OG1 3.28Å; F29-T62 WeakPolarHBondContact CD1-OG1 3.49Å |
| 30 | C | 82.2 | Confident | 78.9 | Confident | 64 Ų | 64 | 70.6 Ų | 70.6 | 43% | 0.432 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.7 | -49.3 | 172 | -70.5 | 0 | 0 | 0 | 0 | 111.5 | S26 D27 L32 R33 D34 | S26-C30 PolarHBondContact O-N 2.75Å; S26-C30 PolarHBondContact O-SG 2.88Å; S26-C30 VanDerWaalsContact O-SG 3.35Å; D27-C30 PolarHBondContact O-N 3.07Å; C30-L32 VanDerWaalsContact C-N 3.34Å; C30-L32 PolarHBondContact O-N 3.2Å; C30-R33 WeakPolarHBondContact O-CB 3.28Å; C30-R33 PolarHBondContact O-N 3.46Å; C30-R33 VanDerWaalsContact O-N 3.11Å; C30-D34 PolarHBondContact O-N 2.91Å |
| 31 | A | 81.6 | Confident | 78.9 | Confident | 37 Ų | 37 | 63.1 Ų | 63.1 | 31% | 0.306 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.7 | -37.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | L13 D27 A28 S35 | L13-A31 HydrophobicContact CD1-CB 4.33Å; L13-A31 HydrophobicContact CD2-CB 3.76Å; D27-A31 WeakPolarHBondContact O-CB 3.24Å; D27-A31 PolarHBondContact O-N 2.76Å; A28-A31 PolarHBondContact O-N 2.6Å; A31-S35 WeakPolarHBondContact O-CB 3.5Å; A31-S35 PolarHBondContact O-N 3.48Å; A31-S35 PolarHBondContact O-OG 3.11Å |
| 32 | L | 81.8 | Confident | 79.2 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67.1 | -40.5 | 171.3 | -75 | 171.7 | 0 | 0 | 0 | 111.9 | L10 L13 L14 V17 A28 C30 D34 S35 I36 T62 | L10-L32 HydrophobicContact CD2-CD2 3.91Å; L13-L32 HydrophobicContact CB-CD1 4.42Å; L13-L32 HydrophobicContact CB-CD2 3.78Å; L13-L32 HydrophobicContact CB-CG 3.98Å; L13-L32 HydrophobicContact CD1-CD2 4.18Å; L13-L32 HydrophobicContact CD1-CG 4.49Å; L14-L32 HydrophobicContact CD2-CD1 4.14Å; V17-L32 HydrophobicContact CG2-CD1 3.52Å; A28-L32 WeakPolarHBondContact O-CB 3.48Å; A28-L32 VanDerWaalsContact O-CG 3.32Å; A28-L32 WeakPolarHBondContact O-CG 3.19Å; A28-L32 PolarHBondContact O-N 2.76Å; C30-L32 VanDerWaalsContact C-N 3.34Å; C30-L32 PolarHBondContact O-N 3.2Å; L32-D34 VanDerWaalsContact C-N 3.33Å; L32-D34 PolarHBondContact O-N 2.81Å; L32-S35 PolarHBondContact O-N 2.85Å; L32-I36 VanDerWaalsContact O-CB 3.32Å; L32-I36 WeakPolarHBondContact O-CB 3.44Å; L32-I36 WeakPolarHBondContact O-CD1 3.37Å; L32-I36 VanDerWaalsContact O-CG1 3.24Å; L32-I36 WeakPolarHBondContact O-CG1 3.35Å; L32-I36 PolarHBondContact O-N 3.38Å; L32-T62 HydrophobicContact CB-CG2 4.48Å |
| 33 | R | 83 | Confident | 79.3 | Confident | 119 Ų | 119 | 59.9 Ų | 59.9 | 45% | 0.449 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 175.5 | -170.3 | 179.8 | -175.4 | -163.8 | -3 | 111.3 | F29 C30 I36 N37 T62 S65 | F29-R33 VanDerWaalsContact O-CB 3.28Å; F29-R33 WeakPolarHBondContact O-CB 3.48Å; F29-R33 PolarHBondContact O-N 2.84Å; C30-R33 WeakPolarHBondContact O-CB 3.28Å; C30-R33 PolarHBondContact O-N 3.46Å; C30-R33 VanDerWaalsContact O-N 3.11Å; R33-I36 PolarHBondContact O-N 3.26Å; R33-N37 PolarHBondContact O-N 2.99Å; R33-N37 VanDerWaalsContact O-N 3.15Å; R33-N37 PolarHBondContact O-ND2 3.23Å; R33-T62 HydrophobicContact CB-CG2 3.97Å; R33-S65 WeakPolarHBondContact CD-OG 3.23Å; R33-S65 PolarHBondContact NE-OG 3.35Å |
| 34 | D | 81.3 | Confident | 79.5 | Confident | 100 Ų | 100 | 50.4 Ų | 50.4 | 54% | 0.535 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -70.2 | -38.7 | 178.1 | -68.4 | -25.3 | 0 | 0 | 0 | 111 | C30 L32 I36 N37 T38 | C30-D34 PolarHBondContact O-N 2.91Å; L32-D34 VanDerWaalsContact C-N 3.33Å; L32-D34 PolarHBondContact O-N 2.81Å; D34-I36 PolarHBondContact O-N 3.25Å; D34-N37 CarbonylContact O-C 3.6Å; D34-N37 PolarHBondContact O-N 2.99Å; D34-N37 VanDerWaalsContact O-N 3.15Å; D34-T38 WeakPolarHBondContact O-CB 3.42Å; D34-T38 WeakPolarHBondContact O-CG2 3.32Å; D34-T38 PolarHBondContact O-N 3.14Å; D34-T38 PolarHBondContact O-OG1 3.34Å |
| 35 | S | 80.3 | Confident | 79.6 | Confident | 34 Ų | 34 | 52.1 Ų | 52.1 | 24% | 0.238 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 172.4 | -58.5 | 0 | 0 | 0 | 0 | 112.6 | A31 L32 N37 T38 G39 | A31-S35 WeakPolarHBondContact O-CB 3.5Å; A31-S35 PolarHBondContact O-N 3.48Å; A31-S35 PolarHBondContact O-OG 3.11Å; L32-S35 PolarHBondContact O-N 2.85Å; S35-N37 VanDerWaalsContact C-N 3.27Å; S35-N37 PolarHBondContact O-N 3.18Å; S35-T38 PolarHBondContact O-N 2.88Å; S35-G39 PolarHBondContact O-N 3.13Å |
| 36 | I | 80.4 | Confident | 79.6 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.1 | -28 | 175.8 | -77.5 | 165.7 | 0 | 0 | 0 | 112.4 | L32 R33 D34 V43 L44 C47 T62 V66 N70 | L32-I36 VanDerWaalsContact O-CB 3.32Å; L32-I36 WeakPolarHBondContact O-CB 3.44Å; L32-I36 WeakPolarHBondContact O-CD1 3.37Å; L32-I36 VanDerWaalsContact O-CG1 3.24Å; L32-I36 WeakPolarHBondContact O-CG1 3.35Å; L32-I36 PolarHBondContact O-N 3.38Å; R33-I36 PolarHBondContact O-N 3.26Å; D34-I36 PolarHBondContact O-N 3.25Å; I36-V43 HydrophobicContact CG1-CB 4.47Å; I36-V43 HydrophobicContact CG1-CG1 3.86Å; I36-L44 HydrophobicContact CD1-CD1 4.4Å; I36-L44 HydrophobicContact CG2-CB 4.4Å; I36-L44 HydrophobicContact CG2-CD1 4Å; I36-C47 HydrophobicContact CD1-CB 4.12Å; I36-T62 HydrophobicContact CD1-CG2 3.84Å; I36-V66 HydrophobicContact CG2-CG2 3.46Å; I36-V66 VanDerWaalsContact CG2-CG2 3.46Å; I36-N70 PolarHBondContact O-ND2 3.02Å |
| 37 | N | 79.1 | Confident | 79.7 | Confident | 37 Ų | 37 | 51.7 Ų | 51.7 | 20% | 0.198 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -96.2 | -5.8 | -179.8 | -75.1 | -68.1 | 0 | 0 | 0 | 114 | R33 D34 S35 R67 | R33-N37 PolarHBondContact O-N 2.99Å; R33-N37 VanDerWaalsContact O-N 3.15Å; R33-N37 PolarHBondContact O-ND2 3.23Å; D34-N37 CarbonylContact O-C 3.6Å; D34-N37 PolarHBondContact O-N 2.99Å; D34-N37 VanDerWaalsContact O-N 3.15Å; S35-N37 VanDerWaalsContact C-N 3.27Å; S35-N37 PolarHBondContact O-N 3.18Å; N37-R67 VanDerWaalsContact OD1-CB 3.3Å; N37-R67 WeakPolarHBondContact OD1-CB 3.49Å; N37-R67 VanDerWaalsContact OD1-CG 3.28Å; N37-R67 WeakPolarHBondContact OD1-CG 3.47Å; N37-R67 PolarHBondContact OD1-N 3.1Å |
| 38 | T | 78.2 | Confident | 79.8 | Confident | 121 Ų | 121 | 46.8 Ų | 46.8 | 74% | 0.742 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -121.7 | -26.5 | -179.3 | 52.6 | 0 | 0 | 0 | 0 | 114.1 | D34 S35 | D34-T38 WeakPolarHBondContact O-CB 3.42Å; D34-T38 WeakPolarHBondContact O-CG2 3.32Å; D34-T38 PolarHBondContact O-N 3.14Å; D34-T38 PolarHBondContact O-OG1 3.34Å; S35-T38 PolarHBondContact O-N 2.88Å |
| 39 | G | 66.9 | Low | 79.9 | Confident | 28 Ų | 28 | 49.7 Ų | 49.7 | 29% | 0.289 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -94.1 | 169 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S35 N70 | S35-G39 PolarHBondContact O-N 3.13Å; G39-N70 PolarHBondContact O-ND2 3.5Å |
| 40 | D | 67.2 | Low | 79.8 | Confident | 146 Ų | 146 | 50.1 Ų | 50.1 | 78% | 0.781 | 28% | 0.277 | S | S | * | . | trans | -57.6 | 144.9 | 168.1 | -67.2 | -49 | 0 | 0 | 0 | 110.9 | F42 V43 | D40-F42 PolarHBondContact O-N 3.16Å; D40-V43 PolarHBondContact O-N 3.43Å | ||
| 41 | G | 74.2 | Confident | 79.9 | Confident | 11 Ų | 11 | 47.3 Ų | 47.3 | 11% | 0.113 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -7.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | V43 L44 E45 | G41-V43 PolarHBondContact O-N 3.03Å; G41-L44 WeakPolarHBondContact O-CA 3.49Å; G41-L44 WeakPolarHBondContact O-CB 3.35Å; G41-L44 PolarHBondContact O-N 3.16Å; G41-E45 PolarHBondContact O-N 3.28Å |
| 42 | F | 81.2 | Confident | 80 | Confident | 110 Ų | 110 | 46.2 Ų | 46.2 | 48% | 0.482 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -53.8 | -35.9 | 168.9 | 178.5 | -106 | 0 | 0 | 0 | 113 | D40 L44 E45 L46 | D40-F42 PolarHBondContact O-N 3.16Å; F42-L44 VanDerWaalsContact C-N 3.3Å; F42-L44 PolarHBondContact O-N 2.84Å; F42-E45 PolarHBondContact O-N 3.46Å; F42-L46 WeakPolarHBondContact O-CB 3.42Å; F42-L46 PolarHBondContact O-N 2.88Å |
| 43 | V | 81.2 | Confident | 79.9 | Confident | 14 Ų | 14 | 50.6 Ų | 50.6 | 9% | 0.085 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.7 | -38.1 | 175.8 | -175.8 | 0 | 0 | 0 | 0 | 111.1 | L10 I36 D40 G41 C47 | L10-V43 HydrophobicContact CD1-CG2 3.98Å; L10-V43 HydrophobicContact CD2-CG1 3.79Å; L10-V43 HydrophobicContact CD2-CG2 4.49Å; I36-V43 HydrophobicContact CG1-CB 4.47Å; I36-V43 HydrophobicContact CG1-CG1 3.86Å; D40-V43 PolarHBondContact O-N 3.43Å; G41-V43 PolarHBondContact O-N 3.03Å; V43-C47 WeakPolarHBondContact O-CB 3.41Å; V43-C47 PolarHBondContact O-N 3.34Å; V43-C47 PolarHBondContact O-SG 3.45Å; V43-C47 VanDerWaalsContact O-SG 3.35Å |
| 44 | L | 82.9 | Confident | 79.7 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70.7 | -40.6 | 177 | -179.5 | 59 | 0 | 0 | 0 | 111.6 | I36 G41 F42 C47 F48 I63 V66 N70 L74 | I36-L44 HydrophobicContact CD1-CD1 4.4Å; I36-L44 HydrophobicContact CG2-CB 4.4Å; I36-L44 HydrophobicContact CG2-CD1 4Å; G41-L44 WeakPolarHBondContact O-CA 3.49Å; G41-L44 WeakPolarHBondContact O-CB 3.35Å; G41-L44 PolarHBondContact O-N 3.16Å; F42-L44 VanDerWaalsContact C-N 3.3Å; F42-L44 PolarHBondContact O-N 2.84Å; L44-C47 PolarHBondContact O-N 2.89Å; L44-F48 WeakPolarHBondContact O-CB 3.48Å; L44-F48 PolarHBondContact O-N 2.98Å; L44-I63 HydrophobicContact CD1-CB 4.43Å; L44-I63 HydrophobicContact CD1-CG1 4.29Å; L44-I63 HydrophobicContact CD1-CG2 4.15Å; L44-V66 HydrophobicContact CD1-CG2 3.72Å; L44-V66 HydrophobicContact CD2-CG1 4.34Å; L44-V66 HydrophobicContact CD2-CG2 3.67Å; L44-V66 HydrophobicContact CG-CG2 4.35Å; L44-N70 HydrophobicContact CD2-CB 4.23Å; L44-N70 WeakPolarHBondContact CD2-O 3.41Å; L44-L74 HydrophobicContact CD2-CB 4.08Å |
| 45 | E | 82.8 | Confident | 79.4 | Confident | 90 Ų | 90 | 49 Ų | 49 | 42% | 0.421 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61 | -43.1 | 173.2 | -178.5 | 176.2 | -166.6 | 0 | 0 | 111.6 | G41 F42 F48 N49 | G41-E45 PolarHBondContact O-N 3.28Å; F42-E45 PolarHBondContact O-N 3.46Å; E45-F48 PolarHBondContact O-N 2.98Å; E45-N49 WeakPolarHBondContact O-CB 3.37Å; E45-N49 PolarHBondContact O-N 2.95Å; E45-N49 PolarHBondContact O-ND2 2.89Å |
| 46 | L | 82.1 | Confident | 79.4 | Confident | 51 Ų | 51 | 49.6 Ų | 49.6 | 27% | 0.267 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.5 | -50.1 | 176.7 | -172.7 | 65.4 | 0 | 0 | 0 | 111.4 | L14 F42 F48 N49 D50 | L14-L46 HydrophobicContact CD1-CD2 3.75Å; L14-L46 HydrophobicContact CD1-CG 3.96Å; F42-L46 WeakPolarHBondContact O-CB 3.42Å; F42-L46 PolarHBondContact O-N 2.88Å; L46-F48 VanDerWaalsContact C-N 3.3Å; L46-F48 PolarHBondContact O-N 3.18Å; L46-N49 PolarHBondContact O-N 3.44Å; L46-D50 PolarHBondContact O-N 3.09Å |
| 47 | C | 81 | Confident | 79.4 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.3 | -35 | 176.5 | -71.8 | 0 | 0 | 0 | 0 | 112.8 | I36 V43 L44 D50 Y51 M59 I63 | I36-C47 HydrophobicContact CD1-CB 4.12Å; V43-C47 WeakPolarHBondContact O-CB 3.41Å; V43-C47 PolarHBondContact O-N 3.34Å; V43-C47 PolarHBondContact O-SG 3.45Å; V43-C47 VanDerWaalsContact O-SG 3.35Å; L44-C47 PolarHBondContact O-N 2.89Å; C47-D50 PolarHBondContact O-N 3.24Å; C47-Y51 PolarHBondContact O-N 3.49Å; C47-M59 HydrophobicContact CB-CE 3.82Å; C47-M59 HydrophobicContact CB-SD 3.86Å; C47-I63 HydrophobicContact CB-CG1 4.39Å |
| 48 | F | 84.8 | Confident | 79.3 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.009 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68 | -42.3 | 175.7 | -171.1 | -97.6 | 0 | 0 | 0 | 112 | L44 E45 L46 Y51 V52 I63 L74 C77 I78 V81 V92 | L44-F48 WeakPolarHBondContact O-CB 3.48Å; L44-F48 PolarHBondContact O-N 2.98Å; E45-F48 PolarHBondContact O-N 2.98Å; L46-F48 VanDerWaalsContact C-N 3.3Å; L46-F48 PolarHBondContact O-N 3.18Å; F48-Y51 PolarHBondContact O-N 3.45Å; F48-V52 HydrophobicContact CD1-CG2 4.18Å; F48-V52 HydrophobicContact CE1-CG2 4.03Å; F48-V52 VanDerWaalsContact O-CG2 3.31Å; F48-V52 WeakPolarHBondContact O-CG2 3.48Å; F48-V52 PolarHBondContact O-N 3.15Å; F48-I63 HydrophobicContact CB-CD1 4.47Å; F48-I63 HydrophobicContact CD2-CD1 4.41Å; F48-I63 HydrophobicContact CD2-CG2 4.04Å; F48-L74 HydrophobicContact CD2-CD1 4.01Å; F48-L74 HydrophobicContact CE2-CD1 4.13Å; F48-C77 HydrophobicContact CD1-CB 3.64Å; F48-C77 HydrophobicContact CE1-CB 3.8Å; F48-C77 WeakPolarHBondContact CE1-O 3.45Å; F48-C77 HydrophobicContact CG-CB 4.04Å; F48-C77 HydrophobicContact CZ-CB 4.35Å; F48-I78 HydrophobicContact CE2-CG1 3.89Å; F48-I78 HydrophobicContact CZ-CG1 3.76Å; F48-V81 HydrophobicContact CE1-CB 4.07Å; F48-V81 HydrophobicContact CE1-CG2 3.73Å; F48-V92 HydrophobicContact CE2-CG2 4.13Å |
| 49 | N | 83.6 | Confident | 79.6 | Confident | 64 Ų | 64 | 53.7 Ų | 53.7 | 34% | 0.342 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.5 | -38.2 | 173.7 | -77 | -58.6 | 0 | 0 | 0 | 112.2 | E45 L46 V52 Q53 | E45-N49 WeakPolarHBondContact O-CB 3.37Å; E45-N49 PolarHBondContact O-N 2.95Å; E45-N49 PolarHBondContact O-ND2 2.89Å; L46-N49 PolarHBondContact O-N 3.44Å; N49-V52 PolarHBondContact O-N 3.1Å; N49-Q53 WeakPolarHBondContact O-CG 3.43Å; N49-Q53 PolarHBondContact O-N 3.04Å; N49-Q53 VanDerWaalsContact O-N 3.11Å; N49-Q53 PolarHBondContact O-NE2 2.95Å |
| 50 | D | 80.4 | Confident | 80.3 | Confident | 23 Ų | 23 | 53.3 Ų | 53.3 | 12% | 0.123 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 171.2 | -100.9 | 37.5 | 0 | 0 | 0 | 111.5 | L46 C47 Q53 F54 M59 | L46-D50 PolarHBondContact O-N 3.09Å; C47-D50 PolarHBondContact O-N 3.24Å; D50-Q53 PolarHBondContact O-N 3.5Å; D50-F54 HydrophobicContact CB-CD2 4.1Å; D50-F54 HydrophobicContact CB-CE2 4.34Å; D50-F54 WeakPolarHBondContact O-CB 3.31Å; D50-F54 WeakPolarHBondContact O-CD2 3.25Å; D50-F54 PolarHBondContact O-N 3.39Å; D50-M59 HydrophobicContact CB-CE 4.13Å |
| 51 | Y | 83.7 | Confident | 81 | Confident | 6 Ų | 6 | 50.1 Ų | 50.1 | 2% | 0.024 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.6 | -39.6 | 173.7 | 172.5 | -113.7 | 0 | 0 | 0 | 112.7 | C47 F48 Q53 F54 Q55 L60 I63 V88 D91 V92 | C47-Y51 PolarHBondContact O-N 3.49Å; F48-Y51 PolarHBondContact O-N 3.45Å; Y51-Q53 PolarHBondContact O-N 2.79Å; Y51-F54 PolarHBondContact O-N 3.36Å; Y51-Q55 VanDerWaalsContact O-CA 3.27Å; Y51-Q55 WeakPolarHBondContact O-CA 3.42Å; Y51-Q55 PolarHBondContact O-N 2.87Å; Y51-L60 HydrophobicContact CD2-CB 4.01Å; Y51-L60 HydrophobicContact CE1-CB 4.41Å; Y51-L60 HydrophobicContact CE1-CD1 3.91Å; Y51-L60 HydrophobicContact CE2-CB 3.63Å; Y51-L60 HydrophobicContact CE2-CD2 4.5Å; Y51-L60 HydrophobicContact CE2-CG 4.44Å; Y51-I63 VanDerWaalsContact CB-CD1 3.48Å; Y51-I63 HydrophobicContact CD1-CD1 4.25Å; Y51-I63 HydrophobicContact CG-CD1 4Å; Y51-V88 HydrophobicContact CD1-CG1 3.97Å; Y51-V88 HydrophobicContact CE1-CG1 3.39Å; Y51-D91 WeakPolarHBondContact OH-CB 3.42Å; Y51-V92 HydrophobicContact CD1-CG2 4.4Å; Y51-V92 HydrophobicContact CE1-CG2 3.76Å |
| 52 | V | 83.4 | Confident | 81.2 | Confident | 13 Ų | 13 | 50 Ų | 50 | 8% | 0.079 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.7 | -31.1 | 173.6 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | F48 N49 V81 V88 | F48-V52 HydrophobicContact CD1-CG2 4.18Å; F48-V52 HydrophobicContact CE1-CG2 4.03Å; F48-V52 VanDerWaalsContact O-CG2 3.31Å; F48-V52 WeakPolarHBondContact O-CG2 3.48Å; F48-V52 PolarHBondContact O-N 3.15Å; N49-V52 PolarHBondContact O-N 3.1Å; V52-V81 HydrophobicContact CG2-CG1 4.04Å; V52-V81 HydrophobicContact CG2-CG2 4.19Å; V52-V88 HydrophobicContact CG2-CG1 4.13Å |
| 53 | Q | 81.2 | Confident | 81.2 | Confident | 93 Ų | 93 | 44.8 Ų | 44.8 | 44% | 0.435 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -86.8 | -33.1 | 178 | -72.7 | 177.3 | 64.1 | 0 | 0 | 114.8 | N49 D50 Y51 L651 | N49-Q53 WeakPolarHBondContact O-CG 3.43Å; N49-Q53 PolarHBondContact O-N 3.04Å; N49-Q53 VanDerWaalsContact O-N 3.11Å; N49-Q53 PolarHBondContact O-NE2 2.95Å; D50-Q53 PolarHBondContact O-N 3.5Å; Y51-Q53 PolarHBondContact O-N 2.79Å; Q53-L651 WeakPolarHBondContact O-CB 3.39Å; Q53-L651 WeakPolarHBondContact O-CD1 3.5Å; Q53-L651 WeakPolarHBondContact O-CD2 3.42Å |
| 54 | F | 77.7 | Confident | 81.1 | Confident | 70 Ų | 70 | 44.1 Ų | 44.1 | 31% | 0.307 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -115.8 | -10.5 | -171.8 | -59.3 | -61 | 0 | 0 | 0 | 114.6 | D50 Y51 C56 F653 | D50-F54 HydrophobicContact CB-CD2 4.1Å; D50-F54 HydrophobicContact CB-CE2 4.34Å; D50-F54 WeakPolarHBondContact O-CB 3.31Å; D50-F54 WeakPolarHBondContact O-CD2 3.25Å; D50-F54 PolarHBondContact O-N 3.39Å; Y51-F54 PolarHBondContact O-N 3.36Å; F54-C56 PolarHBondContact O-N 3.43Å; F54-F653 HydrophobicContact CD1-CD2 4.12Å; F54-F653 AromaticContact CE1-CD2 3.75Å; F54-F653 HydrophobicContact CE1-CD2 3.75Å; F54-F653 AromaticContact CE1-CE2 3.8Å; F54-F653 HydrophobicContact CE1-CE2 3.8Å |
| 55 | Q | 76.3 | Confident | 80.9 | Confident | 116 Ų | 116 | 45 Ų | 45 | 54% | 0.542 | 22% | 0.223 | S | C | . | . | trans | 48.7 | 27.9 | 179.5 | -62.4 | -173.4 | -13 | 0 | 0 | 114.9 | Y51 E57 | Y51-Q55 VanDerWaalsContact O-CA 3.27Å; Y51-Q55 WeakPolarHBondContact O-CA 3.42Å; Y51-Q55 PolarHBondContact O-N 2.87Å; Q55-E57 PolarHBondContact O-N 2.96Å | ||
| 56 | C | 78.8 | Confident | 80.7 | Confident | 46 Ų | 46 | 41 Ų | 41 | 31% | 0.311 | 21% | 0.205 | S | C | . | . | trans | -69 | 120.7 | -176.6 | -176.9 | 0 | 0 | 0 | 0 | 111.7 | F54 K58 M59 L60 | F54-C56 PolarHBondContact O-N 3.43Å; C56-K58 VanDerWaalsContact C-N 3.35Å; C56-K58 PolarHBondContact O-N 3.49Å; C56-M59 HydrophobicContact CB-CB 3.89Å; C56-M59 WeakPolarHBondContact O-CA 3.47Å; C56-M59 WeakPolarHBondContact O-CB 3.3Å; C56-M59 PolarHBondContact O-N 3.45Å; C56-L60 PolarHBondContact O-N 3.26Å | ||
| 57 | E | 80.1 | Confident | 80.4 | Confident | 155 Ų | 155 | 46.9 Ų | 46.9 | 72% | 0.724 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -56.7 | -42.8 | 179.9 | -174.3 | 175.5 | -151.9 | 0 | 0 | 112.9 | Q55 M59 L60 D61 | Q55-E57 PolarHBondContact O-N 2.96Å; E57-M59 VanDerWaalsContact C-N 3.28Å; E57-M59 PolarHBondContact O-N 3.36Å; E57-L60 WeakPolarHBondContact O-CB 3.23Å; E57-L60 PolarHBondContact O-N 3.47Å; E57-D61 WeakPolarHBondContact O-CB 3.39Å; E57-D61 PolarHBondContact O-N 3.22Å |
| 58 | K | 78.6 | Confident | 80.1 | Confident | 85 Ų | 85 | 51.5 Ų | 51.5 | 37% | 0.37 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.3 | -32 | 174.5 | -68.7 | -174.6 | 177.6 | -174.2 | 0 | 113 | S25 F29 C56 D61 T62 | S25-K58 PolarHBondContact OG-NZ 3.08Å; F29-K58 HydrophobicContact CD1-CB 4.35Å; F29-K58 HydrophobicContact CD2-CB 3.74Å; F29-K58 HydrophobicContact CD2-CD 3.62Å; F29-K58 HydrophobicContact CD2-CG 4.33Å; F29-K58 HydrophobicContact CE1-CB 3.97Å; F29-K58 HydrophobicContact CE2-CB 3.33Å; F29-K58 HydrophobicContact CE2-CD 3.42Å; F29-K58 VanDerWaalsContact CE2-CD 3.42Å; F29-K58 HydrophobicContact CE2-CG 4.04Å; F29-K58 HydrophobicContact CG-CB 4.25Å; F29-K58 HydrophobicContact CZ-CB 3.43Å; F29-K58 VanDerWaalsContact CZ-CB 3.43Å; F29-K58 HydrophobicContact CZ-CD 4.34Å; C56-K58 VanDerWaalsContact C-N 3.35Å; C56-K58 PolarHBondContact O-N 3.49Å; K58-D61 PolarHBondContact O-N 2.88Å; K58-T62 PolarHBondContact O-N 3.36Å; K58-T62 PolarHBondContact O-OG1 3.41Å |
| 59 | M | 82.8 | Confident | 79.4 | Confident | 5 Ų | 5 | 55.7 Ų | 55.7 | 3% | 0.025 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -73.3 | -44.6 | 176.6 | -173 | 62.3 | 113.4 | 0 | 0 | 110.8 | L14 F29 C47 D50 C56 E57 D61 T62 I63 | L14-M59 HydrophobicContact CD2-CE 3.46Å; L14-M59 VanDerWaalsContact CD2-CE 3.46Å; F29-M59 HydrophobicContact CE1-CB 3.88Å; F29-M59 HydrophobicContact CE1-SD 3.98Å; F29-M59 HydrophobicContact CZ-CB 4.37Å; C47-M59 HydrophobicContact CB-CE 3.82Å; C47-M59 HydrophobicContact CB-SD 3.86Å; D50-M59 HydrophobicContact CB-CE 4.13Å; C56-M59 HydrophobicContact CB-CB 3.89Å; C56-M59 WeakPolarHBondContact O-CA 3.47Å; C56-M59 WeakPolarHBondContact O-CB 3.3Å; C56-M59 PolarHBondContact O-N 3.45Å; E57-M59 VanDerWaalsContact C-N 3.28Å; E57-M59 PolarHBondContact O-N 3.36Å; M59-D61 PolarHBondContact O-N 2.99Å; M59-T62 WeakPolarHBondContact O-CB 3.4Å; M59-T62 PolarHBondContact O-N 3.44Å; M59-T62 VanDerWaalsContact O-N 3.12Å; M59-I63 HydrophobicContact CG-CD1 3.86Å; M59-I63 WeakPolarHBondContact O-CB 3.5Å; M59-I63 WeakPolarHBondContact O-CD1 3.38Å; M59-I63 VanDerWaalsContact O-CG1 3.26Å; M59-I63 WeakPolarHBondContact O-CG1 3.31Å; M59-I63 PolarHBondContact O-N 3.26Å |
| 60 | L | 82.9 | Confident | 79 | Confident | 19 Ų | 19 | 53.8 Ų | 53.8 | 10% | 0.099 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -53.1 | -45.3 | 168.9 | 174.1 | 62.2 | 0 | 0 | 0 | 110.9 | Y51 C56 E57 T62 I63 T64 V92 | Y51-L60 HydrophobicContact CD2-CB 4.01Å; Y51-L60 HydrophobicContact CE1-CB 4.41Å; Y51-L60 HydrophobicContact CE1-CD1 3.91Å; Y51-L60 HydrophobicContact CE2-CB 3.63Å; Y51-L60 HydrophobicContact CE2-CD2 4.5Å; Y51-L60 HydrophobicContact CE2-CG 4.44Å; C56-L60 PolarHBondContact O-N 3.26Å; E57-L60 WeakPolarHBondContact O-CB 3.23Å; E57-L60 PolarHBondContact O-N 3.47Å; L60-T62 VanDerWaalsContact C-N 3.28Å; L60-T62 PolarHBondContact O-N 2.85Å; L60-I63 PolarHBondContact O-N 3.39Å; L60-T64 HydrophobicContact CD1-CG2 3.83Å; L60-T64 PolarHBondContact O-N 2.81Å; L60-T64 PolarHBondContact O-OG1 3.09Å; L60-T64 VanDerWaalsContact O-OG1 3.12Å; L60-V92 HydrophobicContact CD1-CB 4.34Å; L60-V92 HydrophobicContact CD1-CG2 3.72Å |
| 61 | D | 80.6 | Confident | 78.9 | Confident | 79 Ų | 79 | 53 Ų | 53 | 42% | 0.422 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65 | -32.7 | -179.7 | -106.7 | -5.1 | 0 | 0 | 0 | 113.5 | E57 K58 M59 S65 K99 | E57-D61 WeakPolarHBondContact O-CB 3.39Å; E57-D61 PolarHBondContact O-N 3.22Å; K58-D61 PolarHBondContact O-N 2.88Å; M59-D61 PolarHBondContact O-N 2.99Å; D61-S65 WeakPolarHBondContact O-CB 3.39Å; D61-K99 PolarHBondContact O-NZ 3.42Å; D61-K99 WeakPolarHBondContact OD1-CE 3.37Å; D61-K99 IonicContact OD1-NZ 2.8Å; D61-K99 PolarHBondContact OD1-NZ 3.08Å |
| 62 | T | 79.7 | Confident | 78.9 | Confident | 9 Ų | 9 | 59.2 Ų | 59.2 | 6% | 0.055 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.3 | -49.9 | 173.8 | -58.6 | 0 | 0 | 0 | 0 | 110.3 | F29 L32 R33 I36 K58 M59 L60 T64 S65 | F29-T62 VanDerWaalsContact CD1-OG1 3.28Å; F29-T62 WeakPolarHBondContact CD1-OG1 3.49Å; L32-T62 HydrophobicContact CB-CG2 4.48Å; R33-T62 HydrophobicContact CB-CG2 3.97Å; I36-T62 HydrophobicContact CD1-CG2 3.84Å; K58-T62 PolarHBondContact O-N 3.36Å; K58-T62 PolarHBondContact O-OG1 3.41Å; M59-T62 WeakPolarHBondContact O-CB 3.4Å; M59-T62 PolarHBondContact O-N 3.44Å; M59-T62 VanDerWaalsContact O-N 3.12Å; L60-T62 VanDerWaalsContact C-N 3.28Å; L60-T62 PolarHBondContact O-N 2.85Å; T62-T64 PolarHBondContact O-N 2.85Å; T62-S65 PolarHBondContact O-N 2.88Å; T62-S65 PolarHBondContact O-OG 3.3Å |
| 63 | I | 81.6 | Confident | 78.8 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.7 | -45 | 179.3 | -70.2 | 162.6 | 0 | 0 | 0 | 112.3 | L44 C47 F48 Y51 M59 L60 S65 V66 L74 | L44-I63 HydrophobicContact CD1-CB 4.43Å; L44-I63 HydrophobicContact CD1-CG1 4.29Å; L44-I63 HydrophobicContact CD1-CG2 4.15Å; C47-I63 HydrophobicContact CB-CG1 4.39Å; F48-I63 HydrophobicContact CB-CD1 4.47Å; F48-I63 HydrophobicContact CD2-CD1 4.41Å; F48-I63 HydrophobicContact CD2-CG2 4.04Å; Y51-I63 VanDerWaalsContact CB-CD1 3.48Å; Y51-I63 HydrophobicContact CD1-CD1 4.25Å; Y51-I63 HydrophobicContact CG-CD1 4Å; M59-I63 HydrophobicContact CG-CD1 3.86Å; M59-I63 WeakPolarHBondContact O-CB 3.5Å; M59-I63 WeakPolarHBondContact O-CD1 3.38Å; M59-I63 VanDerWaalsContact O-CG1 3.26Å; M59-I63 WeakPolarHBondContact O-CG1 3.31Å; M59-I63 PolarHBondContact O-N 3.26Å; L60-I63 PolarHBondContact O-N 3.39Å; I63-S65 PolarHBondContact O-N 3.42Å; I63-V66 WeakPolarHBondContact O-CG2 3.44Å; I63-L74 HydrophobicContact CG2-CD1 3.57Å |
| 64 | T | 77.8 | Confident | 79 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 4.5 | -179 | 60.7 | 0 | 0 | 0 | 0 | 113.8 | L60 T62 V92 S95 V96 K99 | L60-T64 HydrophobicContact CD1-CG2 3.83Å; L60-T64 PolarHBondContact O-N 2.81Å; L60-T64 PolarHBondContact O-OG1 3.09Å; L60-T64 VanDerWaalsContact O-OG1 3.12Å; T62-T64 PolarHBondContact O-N 2.85Å; T64-V92 HydrophobicContact CG2-CG1 4.29Å; T64-S95 PolarHBondContact OG1-OG 3.17Å; T64-V96 HydrophobicContact CG2-CG2 3.69Å; T64-K99 PolarHBondContact OG1-NZ 3.45Å |
| 65 | S | 78.3 | Confident | 79.2 | Confident | 18 Ų | 18 | 53.3 Ų | 53.3 | 13% | 0.126 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 11.4 | 177.6 | 81.4 | 0 | 0 | 0 | 0 | 114.7 | R33 D61 T62 I63 | R33-S65 WeakPolarHBondContact CD-OG 3.23Å; R33-S65 PolarHBondContact NE-OG 3.35Å; D61-S65 WeakPolarHBondContact O-CB 3.39Å; T62-S65 PolarHBondContact O-N 2.88Å; T62-S65 PolarHBondContact O-OG 3.3Å; I63-S65 PolarHBondContact O-N 3.42Å |
| 66 | V | 78.5 | Confident | 79.7 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.03 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 143.3 | 176.3 | 163.1 | 0 | 0 | 0 | 0 | 112.8 | I36 L44 I63 N70 W103 | I36-V66 HydrophobicContact CG2-CG2 3.46Å; I36-V66 VanDerWaalsContact CG2-CG2 3.46Å; L44-V66 HydrophobicContact CD1-CG2 3.72Å; L44-V66 HydrophobicContact CD2-CG1 4.34Å; L44-V66 HydrophobicContact CD2-CG2 3.67Å; L44-V66 HydrophobicContact CG-CG2 4.35Å; I63-V66 WeakPolarHBondContact O-CG2 3.44Å; V66-N70 HydrophobicContact CG1-CB 3.74Å; V66-W103 PolarHBondContact O-NE1 2.9Å |
| 67 | R | 77.2 | Confident | 79.9 | Confident | 176 Ų | 176 | 51.1 Ų | 51.1 | 66% | 0.664 | 25% | 0.249 | S | C | * | . | P | Polyproline II helix | trans | -98.5 | 159.2 | 168.4 | -62.9 | 173.1 | -176.9 | 179.3 | 3 | 111 | N37 N70 | N37-R67 VanDerWaalsContact OD1-CB 3.3Å; N37-R67 WeakPolarHBondContact OD1-CB 3.49Å; N37-R67 VanDerWaalsContact OD1-CG 3.28Å; N37-R67 WeakPolarHBondContact OD1-CG 3.47Å; N37-R67 PolarHBondContact OD1-N 3.1Å; R67-N70 PolarHBondContact O-N 3.17Å; R67-N70 VanDerWaalsContact O-N 3.14Å |
| 68 | E | 73.5 | Confident | 80.1 | Confident | 96 Ų | 96 | 43.8 Ų | 43.8 | 45% | 0.449 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 140.9 | 168.4 | -51.7 | -166 | 179.8 | 0 | 0 | 109.7 | W103 K106 | E68-W103 HydrophobicContact CG-CB 4.08Å; E68-W103 HydrophobicContact CG-CG 4.44Å; E68-W103 WeakPolarHBondContact OE1-CB 3.34Å; E68-K106 IonicContact OE1-NZ 2.65Å; E68-K106 PolarHBondContact OE1-NZ 2.92Å; E68-K106 IonicContact OE2-NZ 3.98Å; E68-K106 PolarHBondContact OE2-NZ 3.5Å |
| 69 | P | 70.6 | Confident | 80.4 | Confident | 91 Ų | 91 | 40.8 Ų | 40.8 | 59% | 0.591 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -96 | 6.5 | 12 | 39 | -37.6 | 0 | 0 | 0 | 115.3 | D71 K72 | P69-D71 WeakPolarHBondContact CA-OD1 3.27Å; P69-D71 PolarHBondContact O-N 3.4Å; P69-K72 PolarHBondContact O-N 3.18Å |
| 70 | N | 75.1 | Confident | 80.5 | Confident | 23 Ų | 23 | 44.1 Ų | 44.1 | 12% | 0.123 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -2.3 | -173.9 | -74.8 | -8.6 | 0 | 0 | 0 | 113 | I36 G39 L44 V66 R67 K72 V73 L74 | I36-N70 PolarHBondContact O-ND2 3.02Å; G39-N70 PolarHBondContact O-ND2 3.5Å; L44-N70 HydrophobicContact CD2-CB 4.23Å; L44-N70 WeakPolarHBondContact CD2-O 3.41Å; V66-N70 HydrophobicContact CG1-CB 3.74Å; R67-N70 PolarHBondContact O-N 3.17Å; R67-N70 VanDerWaalsContact O-N 3.14Å; N70-K72 VanDerWaalsContact C-N 3.26Å; N70-K72 PolarHBondContact O-N 3.17Å; N70-V73 PolarHBondContact O-N 3.14Å; N70-L74 PolarHBondContact O-N 3.04Å |
| 71 | D | 79.5 | Confident | 80.5 | Confident | 6 Ų | 6 | 43.6 Ų | 43.6 | 3% | 0.032 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.5 | -36.5 | 169 | 64.7 | -58.1 | 0 | 0 | 0 | 112.3 | P69 L74 W75 W103 | P69-D71 WeakPolarHBondContact CA-OD1 3.27Å; P69-D71 PolarHBondContact O-N 3.4Å; D71-L74 WeakPolarHBondContact O-CB 3.26Å; D71-L74 PolarHBondContact O-N 2.88Å; D71-W75 PolarHBondContact O-N 3.19Å; D71-W103 HydrophobicContact CB-CB 4.11Å; D71-W103 HydrophobicContact CB-CD2 3.91Å; D71-W103 HydrophobicContact CB-CE3 4.32Å; D71-W103 HydrophobicContact CB-CG 3.83Å |
| 72 | K | 82.4 | Confident | 80.5 | Confident | 137 Ų | 137 | 40.5 Ų | 40.5 | 60% | 0.596 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -63.2 | -44.8 | 177 | -65.3 | 177.8 | -177.3 | 173.2 | 0 | 112.4 | P69 N70 L74 W75 D76 | P69-K72 PolarHBondContact O-N 3.18Å; N70-K72 VanDerWaalsContact C-N 3.26Å; N70-K72 PolarHBondContact O-N 3.17Å; K72-L74 VanDerWaalsContact C-N 3.31Å; K72-L74 PolarHBondContact O-N 3.23Å; K72-W75 WeakPolarHBondContact O-CB 3.41Å; K72-W75 PolarHBondContact O-N 3.3Å; K72-W75 VanDerWaalsContact O-N 3.12Å; K72-D76 PolarHBondContact O-N 3.06Å |
| 73 | V | 82.2 | Confident | 80.5 | Confident | 42 Ų | 42 | 48.4 Ų | 48.4 | 26% | 0.255 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.9 | -38.1 | -179.8 | -176.6 | 0 | 0 | 0 | 0 | 110.4 | N70 W75 D76 C77 | N70-V73 PolarHBondContact O-N 3.14Å; V73-W75 VanDerWaalsContact C-N 3.34Å; V73-W75 PolarHBondContact O-N 2.91Å; V73-D76 PolarHBondContact O-N 2.94Å; V73-C77 WeakPolarHBondContact O-CB 3.34Å; V73-C77 PolarHBondContact O-N 3.3Å; V73-C77 PolarHBondContact O-SG 3.26Å |
| 74 | L | 84.2 | Confident | 80.5 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.8 | -44.5 | 171.3 | -174.4 | 55.3 | 0 | 0 | 0 | 111.8 | L44 F48 I63 N70 D71 K72 C77 I78 W103 | L44-L74 HydrophobicContact CD2-CB 4.08Å; F48-L74 HydrophobicContact CD2-CD1 4.01Å; F48-L74 HydrophobicContact CE2-CD1 4.13Å; I63-L74 HydrophobicContact CG2-CD1 3.57Å; N70-L74 PolarHBondContact O-N 3.04Å; D71-L74 WeakPolarHBondContact O-CB 3.26Å; D71-L74 PolarHBondContact O-N 2.88Å; K72-L74 VanDerWaalsContact C-N 3.31Å; K72-L74 PolarHBondContact O-N 3.23Å; L74-C77 PolarHBondContact O-N 2.94Å; L74-I78 HydrophobicContact CD1-CD1 4.04Å; L74-I78 HydrophobicContact CD1-CG1 4.35Å; L74-I78 HydrophobicContact CG-CD1 3.84Å; L74-I78 WeakPolarHBondContact O-CB 3.49Å; L74-I78 WeakPolarHBondContact O-CD1 3.44Å; L74-I78 WeakPolarHBondContact O-CG1 3.4Å; L74-I78 PolarHBondContact O-N 3.47Å; L74-W103 HydrophobicContact CD2-CH2 3.9Å; L74-W103 HydrophobicContact CD2-CZ2 4.41Å |
| 75 | W | 83.7 | Confident | 80.8 | Confident | 11 Ų | 11 | 56 Ų | 56 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 177.3 | -69.3 | 130.1 | 0 | 0 | 0 | 113 | D71 K72 V73 I78 S79 F93 W103 L107 T110 V112 | D71-W75 PolarHBondContact O-N 3.19Å; K72-W75 WeakPolarHBondContact O-CB 3.41Å; K72-W75 PolarHBondContact O-N 3.3Å; K72-W75 VanDerWaalsContact O-N 3.12Å; V73-W75 VanDerWaalsContact C-N 3.34Å; V73-W75 PolarHBondContact O-N 2.91Å; W75-I78 HydrophobicContact CE3-CD1 3.72Å; W75-I78 HydrophobicContact CZ3-CD1 3.71Å; W75-I78 PolarHBondContact O-N 2.98Å; W75-S79 WeakPolarHBondContact O-CB 3.26Å; W75-S79 PolarHBondContact O-N 3.06Å; W75-F93 HydrophobicContact CH2-CE1 4.05Å; W75-F93 AromaticContact CZ3-CE1 3.7Å; W75-F93 HydrophobicContact CZ3-CE1 3.7Å; W75-F93 HydrophobicContact CZ3-CZ 4.14Å; W75-W103 HydrophobicContact CH2-CZ3 4.07Å; W75-W103 AromaticContact CZ2-CE3 3.86Å; W75-W103 HydrophobicContact CZ2-CE3 3.86Å; W75-W103 AromaticContact CZ2-CZ3 3.52Å; W75-W103 HydrophobicContact CZ2-CZ3 3.52Å; W75-L107 HydrophobicContact CE3-CD1 4.39Å; W75-L107 HydrophobicContact CH2-CD1 3.62Å; W75-L107 HydrophobicContact CZ2-CB 4.45Å; W75-L107 HydrophobicContact CZ2-CD1 3.97Å; W75-L107 HydrophobicContact CZ3-CD1 3.84Å; W75-T110 HydrophobicContact CD2-CG2 4.4Å; W75-T110 HydrophobicContact CG-CG2 4.2Å; W75-V112 HydrophobicContact CB-CG2 3.78Å; W75-V112 HydrophobicContact CE3-CB 4.39Å; W75-V112 HydrophobicContact CE3-CG1 4.26Å; W75-V112 HydrophobicContact CE3-CG2 4.46Å; W75-V112 HydrophobicContact CG-CG2 4.45Å; W75-V112 VanDerWaalsContact O-CG2 3.29Å; W75-V112 WeakPolarHBondContact O-CG2 3.46Å |
| 76 | D | 84.8 | Confident | 81 | Confident | 106 Ų | 106 | 56.9 Ų | 56.9 | 57% | 0.567 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -66.1 | -39.7 | 177.5 | -68.8 | -33.3 | 0 | 0 | 0 | 111.7 | K72 V73 S79 S80 | K72-D76 PolarHBondContact O-N 3.06Å; V73-D76 PolarHBondContact O-N 2.94Å; D76-S79 PolarHBondContact O-N 3.48Å; D76-S80 PolarHBondContact O-N 3.49Å |
| 77 | C | 83.9 | Confident | 81.3 | Confident | 9 Ų | 9 | 60.3 Ų | 60.3 | 6% | 0.061 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.1 | -46.2 | 171.4 | -68.2 | 0 | 0 | 0 | 0 | 112.3 | F48 V73 L74 S79 S80 V81 | F48-C77 HydrophobicContact CD1-CB 3.64Å; F48-C77 HydrophobicContact CE1-CB 3.8Å; F48-C77 WeakPolarHBondContact CE1-O 3.45Å; F48-C77 HydrophobicContact CG-CB 4.04Å; F48-C77 HydrophobicContact CZ-CB 4.35Å; V73-C77 WeakPolarHBondContact O-CB 3.34Å; V73-C77 PolarHBondContact O-N 3.3Å; V73-C77 PolarHBondContact O-SG 3.26Å; L74-C77 PolarHBondContact O-N 2.94Å; C77-S79 VanDerWaalsContact C-N 3.3Å; C77-S79 PolarHBondContact O-N 3.43Å; C77-S80 PolarHBondContact O-N 3Å; C77-S80 PolarHBondContact O-OG 2.99Å; C77-V81 PolarHBondContact O-N 3.25Å |
| 78 | I | 84.9 | Confident | 81.7 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 175.6 | -68.5 | 163.1 | 0 | 0 | 0 | 110.7 | F48 L74 W75 S80 V81 M82 V89 V92 V112 | F48-I78 HydrophobicContact CE2-CG1 3.89Å; F48-I78 HydrophobicContact CZ-CG1 3.76Å; L74-I78 HydrophobicContact CD1-CD1 4.04Å; L74-I78 HydrophobicContact CD1-CG1 4.35Å; L74-I78 HydrophobicContact CG-CD1 3.84Å; L74-I78 WeakPolarHBondContact O-CB 3.49Å; L74-I78 WeakPolarHBondContact O-CD1 3.44Å; L74-I78 WeakPolarHBondContact O-CG1 3.4Å; L74-I78 PolarHBondContact O-N 3.47Å; W75-I78 HydrophobicContact CE3-CD1 3.72Å; W75-I78 HydrophobicContact CZ3-CD1 3.71Å; W75-I78 PolarHBondContact O-N 2.98Å; I78-S80 VanDerWaalsContact C-N 3.33Å; I78-S80 PolarHBondContact O-N 3.39Å; I78-V81 PolarHBondContact O-N 2.92Å; I78-M82 HydrophobicContact CG2-CE 4.35Å; I78-M82 WeakPolarHBondContact O-CB 3.4Å; I78-M82 PolarHBondContact O-N 2.95Å; I78-V89 HydrophobicContact CG2-CB 4.45Å; I78-V89 HydrophobicContact CG2-CG1 3.69Å; I78-V89 HydrophobicContact CG2-CG2 4.02Å; I78-V92 HydrophobicContact CD1-CG1 3.63Å; I78-V92 HydrophobicContact CG1-CG1 4.18Å; I78-V112 HydrophobicContact CB-CG1 4.27Å; I78-V112 HydrophobicContact CG2-CG1 3.65Å |
| 79 | S | 84.9 | Confident | 82.3 | Confident | 22 Ų | 22 | 47.6 Ų | 47.6 | 15% | 0.154 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66 | -32.5 | 179 | -163 | 0 | 0 | 0 | 0 | 113.2 | W75 D76 C77 Q115 | W75-S79 WeakPolarHBondContact O-CB 3.26Å; W75-S79 PolarHBondContact O-N 3.06Å; D76-S79 PolarHBondContact O-N 3.48Å; C77-S79 VanDerWaalsContact C-N 3.3Å; C77-S79 PolarHBondContact O-N 3.43Å; S79-Q115 PolarHBondContact OG-NE2 2.78Å; S79-Q115 PolarHBondContact OG-OE1 3.08Å |
| 80 | S | 83.6 | Confident | 83.1 | Confident | 75 Ų | 75 | 43.6 Ų | 43.6 | 52% | 0.524 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -71.7 | -43.5 | 176 | 75.5 | 0 | 0 | 0 | 0 | 111 | D76 C77 I78 | D76-S80 PolarHBondContact O-N 3.49Å; C77-S80 PolarHBondContact O-N 3Å; C77-S80 PolarHBondContact O-OG 2.99Å; I78-S80 VanDerWaalsContact C-N 3.33Å; I78-S80 PolarHBondContact O-N 3.39Å |
| 81 | V | 84.1 | Confident | 83.5 | Confident | 8 Ų | 8 | 45.5 Ų | 45.5 | 5% | 0.048 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -80.5 | -21 | -175.4 | 173.5 | 0 | 0 | 0 | 0 | 114.1 | F48 V52 C77 I78 K83 T84 H85 V89 | F48-V81 HydrophobicContact CE1-CB 4.07Å; F48-V81 HydrophobicContact CE1-CG2 3.73Å; V52-V81 HydrophobicContact CG2-CG1 4.04Å; V52-V81 HydrophobicContact CG2-CG2 4.19Å; C77-V81 PolarHBondContact O-N 3.25Å; I78-V81 PolarHBondContact O-N 2.92Å; V81-K83 PolarHBondContact O-N 3.47Å; V81-T84 PolarHBondContact O-N 3.27Å; V81-T84 PolarHBondContact O-OG1 3.11Å; V81-H85 HydrophobicContact CG1-CB 3.82Å; V81-H85 PolarHBondContact O-N 2.9Å; V81-V89 HydrophobicContact CG1-CG2 4.32Å |
| 82 | M | 80.1 | Confident | 83.8 | Confident | 14 Ų | 14 | 45.2 Ų | 45.2 | 7% | 0.069 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -24.7 | 178.4 | -171.1 | -178.9 | -64.3 | 0 | 0 | 114.2 | I78 V89 V112 Q115 F116 | I78-M82 HydrophobicContact CG2-CE 4.35Å; I78-M82 WeakPolarHBondContact O-CB 3.4Å; I78-M82 PolarHBondContact O-N 2.95Å; M82-V89 HydrophobicContact CB-CG2 4.28Å; M82-V89 HydrophobicContact CE-CG1 4.13Å; M82-V112 HydrophobicContact CE-CG1 3.52Å; M82-Q115 HydrophobicContact CE-CB 4.44Å; M82-Q115 HydrophobicContact SD-CB 3.68Å; M82-F116 HydrophobicContact CE-CB 3.9Å; M82-F116 HydrophobicContact SD-CB 4.23Å |
| 83 | K | 80.7 | Confident | 84 | Confident | 176 Ų | 176 | 38.8 Ų | 38.8 | 77% | 0.765 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -19.5 | 177.3 | -64.7 | 175.3 | -174.5 | 167.2 | 0 | 114.2 | V81 | V81-K83 PolarHBondContact O-N 3.47Š|
| 84 | T | 80.9 | Confident | 84.2 | Confident | 88 Ų | 88 | 38.2 Ų | 38.2 | 54% | 0.54 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -45.5 | -174.1 | 53.2 | 0 | 0 | 0 | 0 | 112.3 | V81 | V81-T84 PolarHBondContact O-N 3.27Å; V81-T84 PolarHBondContact O-OG1 3.11Å |
| 85 | H | 83.2 | Confident | 84.2 | Confident | 72 Ų | 72 | 38.5 Ų | 38.5 | 33% | 0.333 | 20% | 0.202 | S | C | . | . | trans | -129.4 | 70.9 | -179.7 | -54.3 | -73 | 0 | 0 | 0 | 110.6 | V81 Y87 V88 | V81-H85 HydrophobicContact CG1-CB 3.82Å; V81-H85 PolarHBondContact O-N 2.9Å; H85-Y87 PolarHBondContact O-N 3.04Å; H85-Y87 VanDerWaalsContact O-N 3.15Å; H85-V88 HydrophobicContact CB-CB 4.2Å; H85-V88 HydrophobicContact CB-CG2 3.87Å; H85-V88 PolarHBondContact O-N 3.45Å | ||
| 86 | P | 82.9 | Confident | 84.2 | Confident | 37 Ų | 37 | 38 Ų | 38 | 24% | 0.24 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.9 | -27.4 | -174 | 24.3 | -35 | 0 | 0 | 0 | 113.6 | V89 L90 Y128 | P86-V89 PolarHBondContact O-N 3.45Å; P86-L90 PolarHBondContact O-N 2.85Å; P86-Y128 HydrophobicContact CB-CD2 4.04Å; P86-Y128 HydrophobicContact CB-CE2 3.64Å; P86-Y128 WeakPolarHBondContact O-CE2 3.35Å |
| 87 | Y | 85.5 | Confident | 84.2 | Confident | 77 Ų | 77 | 33.6 Ų | 33.6 | 30% | 0.302 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -69.2 | -42.9 | 176.8 | -74.6 | -77.6 | 0 | 0 | 0 | 113.1 | H85 V89 L90 D91 D125 P127 Y128 | H85-Y87 PolarHBondContact O-N 3.04Å; H85-Y87 VanDerWaalsContact O-N 3.15Å; Y87-V89 PolarHBondContact O-N 3.48Å; Y87-L90 HydrophobicContact CD1-CD1 4.03Å; Y87-L90 HydrophobicContact CE1-CD1 4.39Å; Y87-L90 WeakPolarHBondContact O-CA 3.32Å; Y87-L90 VanDerWaalsContact O-CB 3.31Å; Y87-L90 WeakPolarHBondContact O-CB 3.19Å; Y87-L90 PolarHBondContact O-N 2.88Å; Y87-D91 PolarHBondContact O-N 3.15Å; Y87-D91 VanDerWaalsContact O-N 3.15Å; Y87-D125 VanDerWaalsContact OH-CG 3.31Å; Y87-D125 PolarHBondContact OH-OD2 2.86Å; Y87-P127 HydrophobicContact CE1-CB 4.05Å; Y87-Y128 PolarHBondContact OH-N 3.02Å |
| 88 | V | 85.7 | Confident | 84.1 | Confident | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.024 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.4 | -32.7 | 176.4 | -178.1 | 0 | 0 | 0 | 0 | 110.9 | Y51 V52 H85 D91 V92 | Y51-V88 HydrophobicContact CD1-CG1 3.97Å; Y51-V88 HydrophobicContact CE1-CG1 3.39Å; V52-V88 HydrophobicContact CG2-CG1 4.13Å; H85-V88 HydrophobicContact CB-CB 4.2Å; H85-V88 HydrophobicContact CB-CG2 3.87Å; H85-V88 PolarHBondContact O-N 3.45Å; V88-D91 PolarHBondContact O-N 2.99Å; V88-V92 VanDerWaalsContact O-CG2 3.29Å; V88-V92 WeakPolarHBondContact O-CG2 3.44Å; V88-V92 PolarHBondContact O-N 3.35Å |
| 89 | V | 85.5 | Confident | 83.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69 | -31.9 | 173.9 | 172.5 | 0 | 0 | 0 | 0 | 112.8 | I78 V81 M82 P86 Y87 F93 | I78-V89 HydrophobicContact CG2-CB 4.45Å; I78-V89 HydrophobicContact CG2-CG1 3.69Å; I78-V89 HydrophobicContact CG2-CG2 4.02Å; V81-V89 HydrophobicContact CG1-CG2 4.32Å; M82-V89 HydrophobicContact CB-CG2 4.28Å; M82-V89 HydrophobicContact CE-CG1 4.13Å; P86-V89 PolarHBondContact O-N 3.45Å; Y87-V89 PolarHBondContact O-N 3.48Å; V89-F93 HydrophobicContact CG1-CD2 3.73Å; V89-F93 HydrophobicContact CG1-CE2 3.57Å; V89-F93 WeakPolarHBondContact O-CD2 3.5Å; V89-F93 PolarHBondContact O-N 2.88Å |
| 90 | L | 86.6 | Confident | 83.6 | Confident | 7 Ų | 7 | 45.9 Ų | 45.9 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.2 | -44.8 | 171.5 | -60.4 | 175.5 | 0 | 0 | 0 | 111.1 | P86 Y87 V92 F93 F94 F116 Y128 I135 | P86-L90 PolarHBondContact O-N 2.85Å; Y87-L90 HydrophobicContact CD1-CD1 4.03Å; Y87-L90 HydrophobicContact CE1-CD1 4.39Å; Y87-L90 WeakPolarHBondContact O-CA 3.32Å; Y87-L90 VanDerWaalsContact O-CB 3.31Å; Y87-L90 WeakPolarHBondContact O-CB 3.19Å; Y87-L90 PolarHBondContact O-N 2.88Å; L90-V92 VanDerWaalsContact C-N 3.31Å; L90-V92 PolarHBondContact O-N 3.38Å; L90-F93 PolarHBondContact O-N 2.94Å; L90-F93 VanDerWaalsContact O-N 3.14Å; L90-F94 HydrophobicContact CB-CD2 4.48Å; L90-F94 HydrophobicContact CB-CE2 4.48Å; L90-F94 VanDerWaalsContact O-CD2 3.24Å; L90-F94 WeakPolarHBondContact O-CD2 3.48Å; L90-F94 PolarHBondContact O-N 2.7Å; L90-F116 HydrophobicContact CD2-CE2 3.72Å; L90-F116 HydrophobicContact CD2-CZ 4.07Å; L90-Y128 HydrophobicContact CD1-CD2 3.58Å; L90-Y128 HydrophobicContact CD1-CE2 4Å; L90-Y128 HydrophobicContact CD1-CG 4.37Å; L90-Y128 HydrophobicContact CD2-CD2 4.19Å; L90-Y128 HydrophobicContact CD2-CE2 3.83Å; L90-Y128 HydrophobicContact CG-CD2 3.98Å; L90-Y128 HydrophobicContact CG-CE2 3.86Å; L90-I135 HydrophobicContact CB-CD1 4.07Å; L90-I135 HydrophobicContact CD2-CD1 3.58Å; L90-I135 HydrophobicContact CG-CD1 4.44Å |
| 91 | D | 84.7 | Confident | 83.4 | Confident | 63 Ų | 63 | 43.5 Ų | 43.5 | 34% | 0.337 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.2 | -40.4 | -179.8 | -59.9 | -34.6 | 0 | 0 | 0 | 111.4 | Y51 Y87 V88 F94 S95 | Y51-D91 WeakPolarHBondContact OH-CB 3.42Å; Y87-D91 PolarHBondContact O-N 3.15Å; Y87-D91 VanDerWaalsContact O-N 3.15Å; V88-D91 PolarHBondContact O-N 2.99Å; D91-F94 PolarHBondContact O-N 2.75Å; D91-S95 WeakPolarHBondContact O-CB 3.42Å; D91-S95 PolarHBondContact O-N 3.3Å |
| 92 | V | 85.6 | Confident | 83.1 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.3 | -47 | 171.4 | 176.1 | 0 | 0 | 0 | 0 | 111.6 | F48 Y51 L60 T64 I78 V88 L90 F94 S95 V96 | F48-V92 HydrophobicContact CE2-CG2 4.13Å; Y51-V92 HydrophobicContact CD1-CG2 4.4Å; Y51-V92 HydrophobicContact CE1-CG2 3.76Å; L60-V92 HydrophobicContact CD1-CB 4.34Å; L60-V92 HydrophobicContact CD1-CG2 3.72Å; T64-V92 HydrophobicContact CG2-CG1 4.29Å; I78-V92 HydrophobicContact CD1-CG1 3.63Å; I78-V92 HydrophobicContact CG1-CG1 4.18Å; V88-V92 VanDerWaalsContact O-CG2 3.29Å; V88-V92 WeakPolarHBondContact O-CG2 3.44Å; V88-V92 PolarHBondContact O-N 3.35Å; L90-V92 VanDerWaalsContact C-N 3.31Å; L90-V92 PolarHBondContact O-N 3.38Å; V92-F94 PolarHBondContact O-N 3.44Å; V92-S95 PolarHBondContact O-N 2.95Å; V92-V96 HydrophobicContact CG1-CG2 4.39Å; V92-V96 WeakPolarHBondContact O-CG2 3.36Å; V92-V96 PolarHBondContact O-N 3.09Å |
| 93 | F | 87 | Confident | 83.2 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.8 | -43.2 | 176 | -85.2 | -56.9 | 0 | 0 | 0 | 112.5 | W75 V89 L90 S95 V96 I97 L107 F116 I135 | W75-F93 HydrophobicContact CH2-CE1 4.05Å; W75-F93 AromaticContact CZ3-CE1 3.7Å; W75-F93 HydrophobicContact CZ3-CE1 3.7Å; W75-F93 HydrophobicContact CZ3-CZ 4.14Å; V89-F93 HydrophobicContact CG1-CD2 3.73Å; V89-F93 HydrophobicContact CG1-CE2 3.57Å; V89-F93 WeakPolarHBondContact O-CD2 3.5Å; V89-F93 PolarHBondContact O-N 2.88Å; L90-F93 PolarHBondContact O-N 2.94Å; L90-F93 VanDerWaalsContact O-N 3.14Å; F93-S95 PolarHBondContact O-N 2.86Å; F93-V96 PolarHBondContact O-N 2.92Å; F93-I97 WeakPolarHBondContact O-CB 3.36Å; F93-I97 WeakPolarHBondContact O-CD1 3.28Å; F93-I97 WeakPolarHBondContact O-CG1 3.06Å; F93-I97 PolarHBondContact O-N 2.73Å; F93-L107 HydrophobicContact CD1-CD2 4.4Å; F93-L107 HydrophobicContact CE1-CD1 3.74Å; F93-L107 HydrophobicContact CE1-CD2 3.94Å; F93-L107 HydrophobicContact CZ-CD1 4.28Å; F93-F116 HydrophobicContact CD2-CD2 4.31Å; F93-F116 HydrophobicContact CD2-CE2 4.16Å; F93-F116 HydrophobicContact CD2-CZ 4.32Å; F93-F116 HydrophobicContact CE2-CB 4.4Å; F93-F116 HydrophobicContact CE2-CD1 4.37Å; F93-F116 AromaticContact CE2-CD2 3.94Å; F93-F116 HydrophobicContact CE2-CD2 3.94Å; F93-F116 HydrophobicContact CE2-CE2 4.25Å; F93-F116 AromaticContact CE2-CG 3.99Å; F93-F116 HydrophobicContact CE2-CG 3.99Å; F93-I135 HydrophobicContact CB-CD1 3.67Å; F93-I135 HydrophobicContact CB-CG1 4.13Å; F93-I135 HydrophobicContact CB-CG2 4.37Å |
| 94 | F | 85.7 | Confident | 83.2 | Confident | 30 Ų | 30 | 41.3 Ų | 41.3 | 13% | 0.132 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.7 | -39.3 | 176.3 | -79.3 | -60.1 | 0 | 0 | 0 | 112.7 | L90 D91 V92 R98 G131 I135 V282 | L90-F94 HydrophobicContact CB-CD2 4.48Å; L90-F94 HydrophobicContact CB-CE2 4.48Å; L90-F94 VanDerWaalsContact O-CD2 3.24Å; L90-F94 WeakPolarHBondContact O-CD2 3.48Å; L90-F94 PolarHBondContact O-N 2.7Å; D91-F94 PolarHBondContact O-N 2.75Å; V92-F94 PolarHBondContact O-N 3.44Å; F94-R98 VanDerWaalsContact O-CB 3.29Å; F94-R98 WeakPolarHBondContact O-CB 3.42Å; F94-R98 PolarHBondContact O-N 2.62Å; F94-G131 VanDerWaalsContact CZ-O 3.28Å; F94-G131 WeakPolarHBondContact CZ-O 3.27Å; F94-I135 HydrophobicContact CD1-CG1 3.84Å; F94-I135 HydrophobicContact CD2-CD1 3.98Å; F94-I135 HydrophobicContact CD2-CG1 4.19Å; F94-I135 HydrophobicContact CE1-CD1 4.4Å; F94-I135 HydrophobicContact CE1-CG1 3.66Å; F94-I135 HydrophobicContact CE2-CD1 3.84Å; F94-I135 HydrophobicContact CE2-CG1 4.01Å; F94-I135 HydrophobicContact CG-CD1 4.32Å; F94-I135 HydrophobicContact CG-CG1 4.12Å; F94-I135 HydrophobicContact CZ-CD1 4.08Å; F94-I135 HydrophobicContact CZ-CG1 3.75Å; F94-V282 HydrophobicContact CD1-CB 4.38Å; F94-V282 HydrophobicContact CD1-CG1 3.5Å; F94-V282 VanDerWaalsContact CD1-CG1 3.5Å; F94-V282 HydrophobicContact CD1-CG2 3.9Å; F94-V282 HydrophobicContact CE1-CG1 3.7Å; F94-V282 HydrophobicContact CE1-CG2 4.27Å; F94-V282 HydrophobicContact CG-CG1 4.13Å; F94-V282 HydrophobicContact CZ-CG1 4.47Å |
| 95 | S | 84.5 | Confident | 83.1 | Confident | 6 Ų | 6 | 43.5 Ų | 43.5 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.5 | -39.4 | 176 | -179.5 | 0 | 0 | 0 | 0 | 112.2 | T64 D91 V92 F93 K99 | T64-S95 PolarHBondContact OG1-OG 3.17Å; D91-S95 WeakPolarHBondContact O-CB 3.42Å; D91-S95 PolarHBondContact O-N 3.3Å; V92-S95 PolarHBondContact O-N 2.95Å; F93-S95 PolarHBondContact O-N 2.86Å; S95-K99 PolarHBondContact O-N 3.33Å |
| 96 | V | 84.6 | Confident | 82.9 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.6 | -47 | 172.7 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | T64 V92 F93 R98 K99 S100 P101 W103 M104 | T64-V96 HydrophobicContact CG2-CG2 3.69Å; V92-V96 HydrophobicContact CG1-CG2 4.39Å; V92-V96 WeakPolarHBondContact O-CG2 3.36Å; V92-V96 PolarHBondContact O-N 3.09Å; F93-V96 PolarHBondContact O-N 2.92Å; V96-R98 PolarHBondContact O-N 3.3Å; V96-K99 PolarHBondContact O-N 3.39Å; V96-S100 PolarHBondContact O-N 2.94Å; V96-P101 HydrophobicContact CG1-CG 4Å; V96-P101 WeakPolarHBondContact O-CD 3.36Å; V96-W103 HydrophobicContact CG1-CH2 4.02Å; V96-W103 HydrophobicContact CG1-CZ3 3.83Å; V96-W103 HydrophobicContact CG2-CH2 3.87Å; V96-W103 HydrophobicContact CG2-CZ3 4.31Å; V96-M104 HydrophobicContact CG1-CB 4.48Å; V96-M104 HydrophobicContact CG1-CG 4.23Å; V96-M104 HydrophobicContact CG1-SD 4.08Å |
| 97 | I | 83.1 | Confident | 82.8 | Confident | 14 Ų | 14 | 42.3 Ų | 42.3 | 7% | 0.072 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.7 | -46.4 | 177.5 | -70.3 | 161.5 | 0 | 0 | 0 | 110.9 | F93 K99 S100 M104 I135 L139 L142 | F93-I97 WeakPolarHBondContact O-CB 3.36Å; F93-I97 WeakPolarHBondContact O-CD1 3.28Å; F93-I97 WeakPolarHBondContact O-CG1 3.06Å; F93-I97 PolarHBondContact O-N 2.73Å; I97-K99 PolarHBondContact O-N 2.73Å; I97-S100 PolarHBondContact O-N 2.97Å; I97-M104 HydrophobicContact CG1-SD 4.39Å; I97-I135 HydrophobicContact CD1-CB 4.22Å; I97-I135 HydrophobicContact CD1-CG1 4.01Å; I97-I135 HydrophobicContact CD1-CG2 3.99Å; I97-L139 HydrophobicContact CD1-CD1 4.21Å; I97-L139 HydrophobicContact CD1-CD2 3.93Å; I97-L139 HydrophobicContact CD1-CG 3.72Å; I97-L139 HydrophobicContact CG1-CD2 3.64Å; I97-L139 HydrophobicContact CG1-CG 4.02Å; I97-L142 HydrophobicContact CG2-CD1 4.23Å |
| 98 | R | 83.2 | Confident | 82.5 | Confident | 149 Ų | 149 | 38.8 Ų | 38.8 | 56% | 0.562 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -61.9 | -26.7 | 179.3 | -173.4 | 179.7 | -72.7 | 118.2 | -9.9 | 113 | F94 V96 | F94-R98 VanDerWaalsContact O-CB 3.29Å; F94-R98 WeakPolarHBondContact O-CB 3.42Å; F94-R98 PolarHBondContact O-N 2.62Å; V96-R98 PolarHBondContact O-N 3.3Å |
| 99 | K | 79.4 | Confident | 82.2 | Confident | 78 Ų | 78 | 45 Ų | 45 | 34% | 0.339 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -93.7 | -19.2 | 176.7 | -73.9 | 178 | -178.6 | 164.2 | 0 | 114.5 | D61 T64 S95 V96 I97 | D61-K99 PolarHBondContact O-NZ 3.42Å; D61-K99 WeakPolarHBondContact OD1-CE 3.37Å; D61-K99 IonicContact OD1-NZ 2.8Å; D61-K99 PolarHBondContact OD1-NZ 3.08Å; T64-K99 PolarHBondContact OG1-NZ 3.45Å; S95-K99 PolarHBondContact O-N 3.33Å; V96-K99 PolarHBondContact O-N 3.39Å; I97-K99 PolarHBondContact O-N 2.73Å |
| 100 | S | 79.8 | Confident | 82.1 | Confident | 63 Ų | 63 | 45.8 Ų | 45.8 | 44% | 0.441 | 23% | 0.225 | S | C | . | . | trans | 41.6 | 53.4 | -176.6 | -156.8 | 0 | 0 | 0 | 0 | 114.2 | V96 I97 M104 | V96-S100 PolarHBondContact O-N 2.94Å; I97-S100 PolarHBondContact O-N 2.97Å; S100-M104 VanDerWaalsContact OG-CE 3.25Å; S100-M104 WeakPolarHBondContact OG-CE 3.3Å | ||
| 101 | P | 77.9 | Confident | 82 | Confident | 24 Ų | 24 | 49.3 Ų | 49.3 | 16% | 0.156 | 25% | 0.249 | C | C | . | . | trans | -66.6 | 147.1 | -178.7 | 30 | -34.6 | 0 | 0 | 0 | 110.7 | V96 W103 M104 | V96-P101 HydrophobicContact CG1-CG 4Å; V96-P101 WeakPolarHBondContact O-CD 3.36Å; P101-W103 HydrophobicContact CB-CD2 4.09Å; P101-W103 HydrophobicContact CB-CG 4.48Å; P101-W103 HydrophobicContact CB-CZ2 3.9Å; P101-W103 HydrophobicContact CG-CD2 3.95Å; P101-W103 HydrophobicContact CG-CE3 4.05Å; P101-W103 HydrophobicContact CG-CH2 3.69Å; P101-W103 HydrophobicContact CG-CZ2 3.55Å; P101-W103 HydrophobicContact CG-CZ3 3.92Å; P101-W103 PolarHBondContact O-N 3.06Å; P101-W103 VanDerWaalsContact O-N 3.1Å; P101-M104 HydrophobicContact CG-CB 4.31Å; P101-M104 WeakPolarHBondContact O-CB 3.36Å; P101-M104 PolarHBondContact O-N 3.29Å | ||
| 102 | I | 78.2 | Confident | 82 | Confident | 139 Ų | 139 | 46.3 Ų | 46.3 | 71% | 0.713 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -54.4 | -38.9 | -171.4 | -54.9 | 172.8 | 0 | 0 | 0 | 112.3 | M104 Q105 | I102-M104 PolarHBondContact O-N 2.85Å; I102-Q105 PolarHBondContact O-N 2.9Å |
| 103 | W | 82.5 | Confident | 82 | Confident | 8 Ų | 8 | 46.3 Ų | 46.3 | 3% | 0.03 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -65.5 | -14.8 | 177.4 | 48 | -106.3 | 0 | 0 | 0 | 114.6 | V66 E68 D71 L74 W75 V96 P101 Q105 K106 | V66-W103 PolarHBondContact O-NE1 2.9Å; E68-W103 HydrophobicContact CG-CB 4.08Å; E68-W103 HydrophobicContact CG-CG 4.44Å; E68-W103 WeakPolarHBondContact OE1-CB 3.34Å; D71-W103 HydrophobicContact CB-CB 4.11Å; D71-W103 HydrophobicContact CB-CD2 3.91Å; D71-W103 HydrophobicContact CB-CE3 4.32Å; D71-W103 HydrophobicContact CB-CG 3.83Å; L74-W103 HydrophobicContact CD2-CH2 3.9Å; L74-W103 HydrophobicContact CD2-CZ2 4.41Å; W75-W103 HydrophobicContact CH2-CZ3 4.07Å; W75-W103 AromaticContact CZ2-CE3 3.86Å; W75-W103 HydrophobicContact CZ2-CE3 3.86Å; W75-W103 AromaticContact CZ2-CZ3 3.52Å; W75-W103 HydrophobicContact CZ2-CZ3 3.52Å; V96-W103 HydrophobicContact CG1-CH2 4.02Å; V96-W103 HydrophobicContact CG1-CZ3 3.83Å; V96-W103 HydrophobicContact CG2-CH2 3.87Å; V96-W103 HydrophobicContact CG2-CZ3 4.31Å; P101-W103 HydrophobicContact CB-CD2 4.09Å; P101-W103 HydrophobicContact CB-CG 4.48Å; P101-W103 HydrophobicContact CB-CZ2 3.9Å; P101-W103 HydrophobicContact CG-CD2 3.95Å; P101-W103 HydrophobicContact CG-CE3 4.05Å; P101-W103 HydrophobicContact CG-CH2 3.69Å; P101-W103 HydrophobicContact CG-CZ2 3.55Å; P101-W103 HydrophobicContact CG-CZ3 3.92Å; P101-W103 PolarHBondContact O-N 3.06Å; P101-W103 VanDerWaalsContact O-N 3.1Å; W103-Q105 PolarHBondContact O-N 3.37Å; W103-Q105 VanDerWaalsContact O-N 3.16Å; W103-K106 HydrophobicContact CB-CD 4.47Å; W103-K106 WeakPolarHBondContact O-CB 3.31Å; W103-K106 PolarHBondContact O-N 3.35Å |
| 104 | M | 81.8 | Confident | 82 | Confident | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.025 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -57.7 | -27.3 | 173.8 | -173.2 | 176.9 | 67.6 | 0 | 0 | 112 | V96 I97 S100 P101 I102 K106 L107 L139 L142 | V96-M104 HydrophobicContact CG1-CB 4.48Å; V96-M104 HydrophobicContact CG1-CG 4.23Å; V96-M104 HydrophobicContact CG1-SD 4.08Å; I97-M104 HydrophobicContact CG1-SD 4.39Å; S100-M104 VanDerWaalsContact OG-CE 3.25Å; S100-M104 WeakPolarHBondContact OG-CE 3.3Å; P101-M104 HydrophobicContact CG-CB 4.31Å; P101-M104 WeakPolarHBondContact O-CB 3.36Å; P101-M104 PolarHBondContact O-N 3.29Å; I102-M104 PolarHBondContact O-N 2.85Å; M104-K106 PolarHBondContact O-N 2.81Å; M104-K106 VanDerWaalsContact O-N 3.12Å; M104-L107 WeakPolarHBondContact O-CB 3.48Å; M104-L107 PolarHBondContact O-N 2.92Å; M104-L139 HydrophobicContact SD-CD2 4.11Å; M104-L142 HydrophobicContact CE-CB 4.38Å; M104-L142 HydrophobicContact CE-CD1 4.05Å |
| 105 | Q | 77.7 | Confident | 82 | Confident | 135 Ų | 135 | 49.2 Ų | 49.2 | 63% | 0.631 | 25% | 0.25 | S | S | * | . | G | 310 helix | trans | -59.6 | -22.7 | 174.5 | -64.9 | -172.7 | -1 | 0 | 0 | 113.7 | I102 W103 L143 | I102-Q105 PolarHBondContact O-N 2.9Å; W103-Q105 PolarHBondContact O-N 3.37Å; W103-Q105 VanDerWaalsContact O-N 3.16Å; Q105-L143 HydrophobicContact CG-CD2 4.43Å |
| 106 | K | 78.8 | Confident | 82.2 | Confident | 83 Ų | 83 | 48.9 Ų | 48.9 | 36% | 0.361 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -80.5 | -16.1 | 175.6 | -61.5 | 164.8 | 175.7 | 164.1 | 0 | 113.1 | E68 W103 M104 N109 | E68-K106 IonicContact OE1-NZ 2.65Å; E68-K106 PolarHBondContact OE1-NZ 2.92Å; E68-K106 IonicContact OE2-NZ 3.98Å; E68-K106 PolarHBondContact OE2-NZ 3.5Å; W103-K106 HydrophobicContact CB-CD 4.47Å; W103-K106 WeakPolarHBondContact O-CB 3.31Å; W103-K106 PolarHBondContact O-N 3.35Å; M104-K106 PolarHBondContact O-N 2.81Å; M104-K106 VanDerWaalsContact O-N 3.12Å; K106-N109 WeakPolarHBondContact O-CB 3.31Å; K106-N109 PolarHBondContact O-N 2.87Å |
| 107 | L | 80.8 | Confident | 82.3 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -49.2 | -47.2 | -172.7 | 173.3 | 62.9 | 0 | 0 | 0 | 113.8 | W75 F93 M104 N109 T110 F113 L139 L143 | W75-L107 HydrophobicContact CE3-CD1 4.39Å; W75-L107 HydrophobicContact CH2-CD1 3.62Å; W75-L107 HydrophobicContact CZ2-CB 4.45Å; W75-L107 HydrophobicContact CZ2-CD1 3.97Å; W75-L107 HydrophobicContact CZ3-CD1 3.84Å; F93-L107 HydrophobicContact CD1-CD2 4.4Å; F93-L107 HydrophobicContact CE1-CD1 3.74Å; F93-L107 HydrophobicContact CE1-CD2 3.94Å; F93-L107 HydrophobicContact CZ-CD1 4.28Å; M104-L107 WeakPolarHBondContact O-CB 3.48Å; M104-L107 PolarHBondContact O-N 2.92Å; L107-N109 PolarHBondContact O-N 3.43Å; L107-N109 VanDerWaalsContact O-N 3.12Å; L107-T110 WeakPolarHBondContact O-CB 3.43Å; L107-T110 WeakPolarHBondContact O-CG2 3.42Å; L107-T110 PolarHBondContact O-N 3.18Å; L107-T110 PolarHBondContact O-OG1 3.31Å; L107-F113 HydrophobicContact CD1-CB 3.78Å; L107-F113 HydrophobicContact CD1-CD2 3.99Å; L107-F113 HydrophobicContact CD1-CG 4.22Å; L107-F113 HydrophobicContact CD2-CD2 3.98Å; L107-F113 HydrophobicContact CD2-CE2 4.36Å; L107-F113 HydrophobicContact CG-CB 4.11Å; L107-F113 HydrophobicContact CG-CD2 3.78Å; L107-F113 HydrophobicContact CG-CG 4.08Å; L107-F113 VanDerWaalsContact O-CB 3.24Å; L107-F113 WeakPolarHBondContact O-CB 3.45Å; L107-L139 HydrophobicContact CD2-CD1 3.96Å; L107-L139 HydrophobicContact CD2-CD2 4.06Å; L107-L143 HydrophobicContact CB-CD1 4.43Å; L107-L143 HydrophobicContact CD2-CD1 4.34Å |
| 108 | P | 79.2 | Confident | 82.6 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.019 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -66.7 | -17.2 | -175.8 | -25.5 | 39.9 | 0 | 0 | 0 | 114.6 | F113 L143 S145 L146 H149 | P108-F113 HydrophobicContact CB-CD1 4.36Å; P108-L143 HydrophobicContact CG-CB 4.27Å; P108-L143 HydrophobicContact CG-CD1 3.83Å; P108-S145 WeakPolarHBondContact CG-OG 3.46Å; P108-L146 HydrophobicContact CB-CD2 4.02Å; P108-L146 HydrophobicContact CG-CD2 3.86Å; P108-L146 HydrophobicContact CG-CG 4.13Å; P108-H149 PolarHBondContact O-NE2 3.25Å |
| 109 | N | 79.7 | Confident | 82.7 | Confident | 134 Ų | 134 | 48.1 Ų | 48.1 | 72% | 0.717 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -88.5 | -9.1 | 175.1 | -61.3 | -32.9 | 0 | 0 | 0 | 112.7 | K106 L107 | K106-N109 WeakPolarHBondContact O-CB 3.31Å; K106-N109 PolarHBondContact O-N 2.87Å; L107-N109 PolarHBondContact O-N 3.43Å; L107-N109 VanDerWaalsContact O-N 3.12Å |
| 110 | T | 83 | Confident | 83 | Confident | 16 Ų | 16 | 44.8 Ų | 44.8 | 10% | 0.098 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -75.7 | 148.1 | -179.6 | 68 | 0 | 0 | 0 | 0 | 111.9 | W75 L107 V112 F113 S114 | W75-T110 HydrophobicContact CD2-CG2 4.4Å; W75-T110 HydrophobicContact CG-CG2 4.2Å; L107-T110 WeakPolarHBondContact O-CB 3.43Å; L107-T110 WeakPolarHBondContact O-CG2 3.42Å; L107-T110 PolarHBondContact O-N 3.18Å; L107-T110 PolarHBondContact O-OG1 3.31Å; T110-V112 PolarHBondContact O-N 3.09Å; T110-F113 WeakPolarHBondContact OG1-CB 3.38Å; T110-F113 PolarHBondContact OG1-N 3.4Å; T110-F113 VanDerWaalsContact OG1-N 3.07Å; T110-S114 PolarHBondContact O-N 3.17Å; T110-S114 PolarHBondContact O-OG 2.93Å |
| 111 | P | 84.9 | Confident | 83.4 | Confident | 82 Ų | 82 | 46.2 Ų | 46.2 | 53% | 0.532 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.2 | -26.2 | 169.5 | 28.2 | -35 | 0 | 0 | 0 | 111.6 | S114 Q115 | P111-S114 CarbonylContact O-C 3.57Å; P111-S114 PolarHBondContact O-N 2.84Å; P111-Q115 WeakPolarHBondContact O-CG 3.38Å; P111-Q115 PolarHBondContact O-N 3.06Å; P111-Q115 PolarHBondContact O-NE2 2.78Å |
| 112 | V | 85 | Confident | 83.8 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.7 | -51.6 | 179 | -166.8 | 0 | 0 | 0 | 0 | 111 | W75 I78 M82 T110 S114 Q115 F116 | W75-V112 HydrophobicContact CB-CG2 3.78Å; W75-V112 HydrophobicContact CE3-CB 4.39Å; W75-V112 HydrophobicContact CE3-CG1 4.26Å; W75-V112 HydrophobicContact CE3-CG2 4.46Å; W75-V112 HydrophobicContact CG-CG2 4.45Å; W75-V112 VanDerWaalsContact O-CG2 3.29Å; W75-V112 WeakPolarHBondContact O-CG2 3.46Å; I78-V112 HydrophobicContact CB-CG1 4.27Å; I78-V112 HydrophobicContact CG2-CG1 3.65Å; M82-V112 HydrophobicContact CE-CG1 3.52Å; T110-V112 PolarHBondContact O-N 3.09Å; V112-S114 VanDerWaalsContact C-N 3.27Å; V112-S114 PolarHBondContact O-N 3.09Å; V112-Q115 WeakPolarHBondContact O-CA 3.49Å; V112-Q115 WeakPolarHBondContact O-CB 3.41Å; V112-Q115 PolarHBondContact O-N 2.96Å; V112-F116 PolarHBondContact O-N 2.93Å |
| 113 | F | 86.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.5 | -38.4 | 176.6 | -169.6 | -107.4 | 0 | 0 | 0 | 111.9 | L107 P108 T110 Q115 F116 L117 L136 L139 L146 | L107-F113 HydrophobicContact CD1-CB 3.78Å; L107-F113 HydrophobicContact CD1-CD2 3.99Å; L107-F113 HydrophobicContact CD1-CG 4.22Å; L107-F113 HydrophobicContact CD2-CD2 3.98Å; L107-F113 HydrophobicContact CD2-CE2 4.36Å; L107-F113 HydrophobicContact CG-CB 4.11Å; L107-F113 HydrophobicContact CG-CD2 3.78Å; L107-F113 HydrophobicContact CG-CG 4.08Å; L107-F113 VanDerWaalsContact O-CB 3.24Å; L107-F113 WeakPolarHBondContact O-CB 3.45Å; P108-F113 HydrophobicContact CB-CD1 4.36Å; T110-F113 WeakPolarHBondContact OG1-CB 3.38Å; T110-F113 PolarHBondContact OG1-N 3.4Å; T110-F113 VanDerWaalsContact OG1-N 3.07Å; F113-Q115 VanDerWaalsContact C-N 3.26Å; F113-Q115 PolarHBondContact O-N 3.38Å; F113-F116 HydrophobicContact CD2-CD1 4.29Å; F113-F116 HydrophobicContact CE2-CD1 4.24Å; F113-F116 PolarHBondContact O-N 2.93Å; F113-L117 HydrophobicContact CD1-CD1 3.98Å; F113-L117 HydrophobicContact CD1-CG 4.2Å; F113-L117 HydrophobicContact CE1-CD1 3.53Å; F113-L117 HydrophobicContact CE1-CD2 4.14Å; F113-L117 HydrophobicContact CE1-CG 3.83Å; F113-L117 HydrophobicContact CZ-CD1 4.16Å; F113-L117 HydrophobicContact CZ-CD2 3.91Å; F113-L117 HydrophobicContact CZ-CG 4.04Å; F113-L117 WeakPolarHBondContact O-CG 3.29Å; F113-L117 PolarHBondContact O-N 3.48Å; F113-L136 HydrophobicContact CE2-CD2 4.16Å; F113-L136 HydrophobicContact CZ-CD2 3.98Å; F113-L139 HydrophobicContact CE2-CD1 3.93Å; F113-L146 HydrophobicContact CD1-CD2 4.37Å; F113-L146 HydrophobicContact CE1-CD2 3.28Å; F113-L146 HydrophobicContact CZ-CD2 3.39Å |
| 114 | S | 86 | Confident | 83.6 | Confident | 35 Ų | 35 | 52 Ų | 52 | 25% | 0.245 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.6 | -21.9 | 174.4 | -65.3 | 0 | 0 | 0 | 0 | 114 | T110 P111 V112 K118 | T110-S114 PolarHBondContact O-N 3.17Å; T110-S114 PolarHBondContact O-OG 2.93Å; P111-S114 CarbonylContact O-C 3.57Å; P111-S114 PolarHBondContact O-N 2.84Å; V112-S114 VanDerWaalsContact C-N 3.27Å; V112-S114 PolarHBondContact O-N 3.09Å; S114-K118 WeakPolarHBondContact O-CD 3.39Å; S114-K118 VanDerWaalsContact O-CE 3.29Å; S114-K118 WeakPolarHBondContact O-CE 3.22Å; S114-K118 VanDerWaalsContact O-CG 3.25Å; S114-K118 WeakPolarHBondContact O-CG 3.43Å |
| 115 | Q | 85.9 | Confident | 83.7 | Confident | 57 Ų | 57 | 55.7 Ų | 55.7 | 27% | 0.266 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -81 | -42.1 | 169.3 | -72.5 | 171 | 59.2 | 0 | 0 | 110.8 | S79 M82 P111 V112 F113 K118 S119 | S79-Q115 PolarHBondContact OG-NE2 2.78Å; S79-Q115 PolarHBondContact OG-OE1 3.08Å; M82-Q115 HydrophobicContact CE-CB 4.44Å; M82-Q115 HydrophobicContact SD-CB 3.68Å; P111-Q115 WeakPolarHBondContact O-CG 3.38Å; P111-Q115 PolarHBondContact O-N 3.06Å; P111-Q115 PolarHBondContact O-NE2 2.78Å; V112-Q115 WeakPolarHBondContact O-CA 3.49Å; V112-Q115 WeakPolarHBondContact O-CB 3.41Å; V112-Q115 PolarHBondContact O-N 2.96Å; F113-Q115 VanDerWaalsContact C-N 3.26Å; F113-Q115 PolarHBondContact O-N 3.38Å; Q115-K118 CarbonylContact O-C 3.6Å; Q115-K118 WeakPolarHBondContact O-CA 3.24Å; Q115-K118 WeakPolarHBondContact O-CB 3.33Å; Q115-K118 PolarHBondContact O-N 2.95Å; Q115-S119 PolarHBondContact O-N 2.89Å |
| 116 | F | 88.2 | Confident | 84.1 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 178.1 | 179.4 | -112.3 | 0 | 0 | 0 | 113.4 | M82 L90 F93 V112 F113 K118 S119 L120 I135 L136 | M82-F116 HydrophobicContact CE-CB 3.9Å; M82-F116 HydrophobicContact SD-CB 4.23Å; L90-F116 HydrophobicContact CD2-CE2 3.72Å; L90-F116 HydrophobicContact CD2-CZ 4.07Å; F93-F116 HydrophobicContact CD2-CD2 4.31Å; F93-F116 HydrophobicContact CD2-CE2 4.16Å; F93-F116 HydrophobicContact CD2-CZ 4.32Å; F93-F116 HydrophobicContact CE2-CB 4.4Å; F93-F116 HydrophobicContact CE2-CD1 4.37Å; F93-F116 AromaticContact CE2-CD2 3.94Å; F93-F116 HydrophobicContact CE2-CD2 3.94Å; F93-F116 HydrophobicContact CE2-CE2 4.25Å; F93-F116 AromaticContact CE2-CG 3.99Å; F93-F116 HydrophobicContact CE2-CG 3.99Å; V112-F116 PolarHBondContact O-N 2.93Å; F113-F116 HydrophobicContact CD2-CD1 4.29Å; F113-F116 HydrophobicContact CE2-CD1 4.24Å; F113-F116 PolarHBondContact O-N 2.93Å; F116-K118 PolarHBondContact O-N 3.12Å; F116-S119 WeakPolarHBondContact CA-OG 3.42Å; F116-S119 PolarHBondContact O-N 3.19Å; F116-S119 PolarHBondContact O-OG 3.11Å; F116-L120 HydrophobicContact CD1-CD1 4.11Å; F116-L120 HydrophobicContact CE1-CD1 3.55Å; F116-L120 HydrophobicContact CE2-CD1 4.01Å; F116-L120 HydrophobicContact CE2-CG 4.23Å; F116-L120 HydrophobicContact CZ-CD1 3.52Å; F116-L120 HydrophobicContact CZ-CG 4.22Å; F116-L120 PolarHBondContact O-N 3.48Å; F116-I135 HydrophobicContact CE1-CG2 3.63Å; F116-I135 HydrophobicContact CZ-CB 4.31Å; F116-I135 HydrophobicContact CZ-CD1 4.17Å; F116-I135 HydrophobicContact CZ-CG2 3.74Å; F116-L136 HydrophobicContact CE1-CD2 4.37Å |
| 117 | L | 88 | Confident | 84.4 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.016 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.1 | -31.4 | 172.3 | -68.7 | -177.8 | 0 | 0 | 0 | 112.4 | F113 K121 L136 H149 L153 I156 | F113-L117 HydrophobicContact CD1-CD1 3.98Å; F113-L117 HydrophobicContact CD1-CG 4.2Å; F113-L117 HydrophobicContact CE1-CD1 3.53Å; F113-L117 HydrophobicContact CE1-CD2 4.14Å; F113-L117 HydrophobicContact CE1-CG 3.83Å; F113-L117 HydrophobicContact CZ-CD1 4.16Å; F113-L117 HydrophobicContact CZ-CD2 3.91Å; F113-L117 HydrophobicContact CZ-CG 4.04Å; F113-L117 WeakPolarHBondContact O-CG 3.29Å; F113-L117 PolarHBondContact O-N 3.48Å; L117-K121 WeakPolarHBondContact O-CB 3.37Å; L117-K121 PolarHBondContact O-N 3.4Å; L117-L136 HydrophobicContact CD2-CD1 4.11Å; L117-L136 HydrophobicContact CD2-CD2 3.71Å; L117-H149 HydrophobicContact CD1-CB 3.78Å; L117-L153 HydrophobicContact CD2-CD2 3.94Å; L117-I156 HydrophobicContact CB-CD1 4.17Å; L117-I156 HydrophobicContact CD2-CD1 3.61Å; L117-I156 HydrophobicContact CG-CD1 4.48Å |
| 118 | K | 87.6 | Confident | 84.9 | Confident | 125 Ų | 125 | 49.8 Ų | 49.8 | 54% | 0.543 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -76.5 | -39.5 | 177.1 | -69.4 | 169.6 | -168.4 | 168.9 | 0 | 111.7 | S114 Q115 F116 K121 Q122 | S114-K118 WeakPolarHBondContact O-CD 3.39Å; S114-K118 VanDerWaalsContact O-CE 3.29Å; S114-K118 WeakPolarHBondContact O-CE 3.22Å; S114-K118 VanDerWaalsContact O-CG 3.25Å; S114-K118 WeakPolarHBondContact O-CG 3.43Å; Q115-K118 CarbonylContact O-C 3.6Å; Q115-K118 WeakPolarHBondContact O-CA 3.24Å; Q115-K118 WeakPolarHBondContact O-CB 3.33Å; Q115-K118 PolarHBondContact O-N 2.95Å; F116-K118 PolarHBondContact O-N 3.12Å; K118-K121 PolarHBondContact O-N 3.5Å; K118-Q122 WeakPolarHBondContact O-CB 3.48Å; K118-Q122 WeakPolarHBondContact O-CG 3.33Å; K118-Q122 PolarHBondContact O-N 2.88Å; K118-Q122 VanDerWaalsContact O-N 3.15Å |
| 119 | S | 85.8 | Confident | 85.3 | Confident | 19 Ų | 19 | 49.8 Ų | 49.8 | 13% | 0.133 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.9 | -46.5 | 174 | 62.5 | 0 | 0 | 0 | 0 | 110.7 | Q115 F116 K121 Q122 N123 Y128 | Q115-S119 PolarHBondContact O-N 2.89Å; F116-S119 WeakPolarHBondContact CA-OG 3.42Å; F116-S119 PolarHBondContact O-N 3.19Å; F116-S119 PolarHBondContact O-OG 3.11Å; S119-K121 VanDerWaalsContact C-N 3.27Å; S119-K121 PolarHBondContact O-N 3.42Å; S119-Q122 PolarHBondContact O-N 2.99Å; S119-N123 WeakPolarHBondContact O-CB 3.44Å; S119-N123 PolarHBondContact O-N 2.88Å; S119-N123 PolarHBondContact O-OD1 3.15Å; S119-Y128 PolarHBondContact OG-OH 3.39Å |
| 120 | L | 87 | Confident | 85.8 | Confident | 8 Ų | 8 | 44.1 Ų | 44.1 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.3 | -31.1 | 176.2 | -72.4 | 175.5 | 0 | 0 | 0 | 114 | F116 Y128 L136 I156 | F116-L120 HydrophobicContact CD1-CD1 4.11Å; F116-L120 HydrophobicContact CE1-CD1 3.55Å; F116-L120 HydrophobicContact CE2-CD1 4.01Å; F116-L120 HydrophobicContact CE2-CG 4.23Å; F116-L120 HydrophobicContact CZ-CD1 3.52Å; F116-L120 HydrophobicContact CZ-CG 4.22Å; F116-L120 PolarHBondContact O-N 3.48Å; L120-Y128 HydrophobicContact CD2-CD1 3.74Å; L120-Y128 HydrophobicContact CD2-CE1 3.44Å; L120-Y128 VanDerWaalsContact CD2-CE1 3.44Å; L120-Y128 HydrophobicContact CG-CE1 4.07Å; L120-L136 HydrophobicContact CD1-CD1 3.77Å; L120-L136 HydrophobicContact CD1-CG 4.24Å; L120-I156 HydrophobicContact CB-CD1 4.31Å; L120-I156 HydrophobicContact CB-CG2 4.45Å |
| 121 | K | 87.6 | Confident | 86 | Confident | 94 Ų | 94 | 43.8 Ų | 43.8 | 41% | 0.409 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -73.4 | -25.1 | 174.5 | -178.9 | 178.3 | 166.3 | -173.6 | 0 | 113.4 | L117 K118 S119 Q155 I156 | L117-K121 WeakPolarHBondContact O-CB 3.37Å; L117-K121 PolarHBondContact O-N 3.4Å; K118-K121 PolarHBondContact O-N 3.5Å; S119-K121 VanDerWaalsContact C-N 3.27Å; S119-K121 PolarHBondContact O-N 3.42Å; K121-Q155 HydrophobicContact CD-CB 4.34Å; K121-I156 HydrophobicContact CB-CG1 4.01Å |
| 122 | Q | 86.6 | Confident | 86.3 | Confident | 159 Ų | 159 | 39.9 Ų | 39.9 | 74% | 0.743 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -106 | -31.8 | -173.2 | -69.9 | -179.6 | -8 | 0 | 0 | 113.9 | K118 S119 A124 | K118-Q122 WeakPolarHBondContact O-CB 3.48Å; K118-Q122 WeakPolarHBondContact O-CG 3.33Å; K118-Q122 PolarHBondContact O-N 2.88Å; K118-Q122 VanDerWaalsContact O-N 3.15Å; S119-Q122 PolarHBondContact O-N 2.99Å; Q122-A124 PolarHBondContact O-N 2.78Å |
| 123 | N | 77.3 | Confident | 86.6 | Confident | 63 Ų | 63 | 40 Ų | 40 | 34% | 0.337 | 22% | 0.217 | S | C | . | . | trans | -72 | 124.8 | -176.2 | -70.9 | -2.7 | 0 | 0 | 0 | 110.4 | S119 D125 Y128 | S119-N123 WeakPolarHBondContact O-CB 3.44Å; S119-N123 PolarHBondContact O-N 2.88Å; S119-N123 PolarHBondContact O-OD1 3.15Å; N123-D125 VanDerWaalsContact C-N 3.32Å; N123-Y128 HydrophobicContact CB-CD1 3.9Å; N123-Y128 HydrophobicContact CB-CE1 4.22Å; N123-Y128 VanDerWaalsContact ND2-CD1 3.33Å; N123-Y128 WeakPolarHBondContact ND2-CD1 3.42Å; N123-Y128 WeakPolarHBondContact ND2-CE1 3.36Å | ||
| 124 | A | 78.8 | Confident | 86.9 | Confident | 71 Ų | 71 | 42 Ų | 42 | 59% | 0.587 | 23% | 0.225 | S | C | * | . | trans | -90.9 | 7.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q122 L163 | Q122-A124 PolarHBondContact O-N 2.78Å; A124-L163 HydrophobicContact CB-CD1 4.45Å; A124-L163 WeakPolarHBondContact O-CD1 3.45Å | ||
| 125 | D | 84.6 | Confident | 87 | Confident | 81 Ų | 81 | 40.4 Ų | 40.4 | 43% | 0.433 | 21% | 0.213 | S | C | . | . | trans | -83.6 | 126.3 | -175.9 | -165.9 | 8 | 0 | 0 | 0 | 111.3 | Y87 N123 P127 A129 | Y87-D125 VanDerWaalsContact OH-CG 3.31Å; Y87-D125 PolarHBondContact OH-OD2 2.86Å; N123-D125 VanDerWaalsContact C-N 3.32Å; D125-P127 VanDerWaalsContact OD1-CD 3.23Å; D125-P127 WeakPolarHBondContact OD1-CD 3.49Å; D125-A129 WeakPolarHBondContact O-CB 3.42Å; D125-A129 PolarHBondContact O-N 3.47Å | ||
| 126 | I | 85.4 | Confident | 87.2 | Confident | 22 Ų | 22 | 37.7 Ų | 37.7 | 11% | 0.113 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -72.9 | -46.7 | -163.9 | -50.9 | 172.2 | 0 | 0 | 0 | 112.2 | Y128 A129 I130 L163 H167 C172 L176 | I126-Y128 VanDerWaalsContact C-N 3.33Å; I126-Y128 PolarHBondContact O-N 3.43Å; I126-A129 PolarHBondContact O-N 3.38Å; I126-I130 HydrophobicContact CG2-CD1 3.8Å; I126-I130 HydrophobicContact CG2-CG1 4.4Å; I126-I130 VanDerWaalsContact O-CG1 3.31Å; I126-I130 WeakPolarHBondContact O-CG1 3.36Å; I126-I130 PolarHBondContact O-N 2.91Å; I126-L163 HydrophobicContact CG1-CD2 4.43Å; I126-H167 HydrophobicContact CD1-CB 4.27Å; I126-C172 HydrophobicContact CD1-CB 4.38Å; I126-C172 HydrophobicContact CG2-CB 3.81Å; I126-L176 HydrophobicContact CG2-CB 4.35Å; I126-L176 HydrophobicContact CG2-CD2 4.13Å |
| 127 | P | 85.9 | Confident | 87.3 | Confident | 70 Ų | 70 | 38 Ų | 38 | 46% | 0.455 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.8 | -37.3 | 178.9 | -18.5 | 33.8 | 0 | 0 | 0 | 111.7 | Y87 D125 I130 G131 | Y87-P127 HydrophobicContact CE1-CB 4.05Å; D125-P127 VanDerWaalsContact OD1-CD 3.23Å; D125-P127 WeakPolarHBondContact OD1-CD 3.49Å; P127-I130 PolarHBondContact O-N 3.31Å; P127-G131 PolarHBondContact O-N 2.94Å |
| 128 | Y | 89.4 | Confident | 87.2 | Confident | 3 Ų | 3 | 39.1 Ų | 39.1 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 173.4 | -173.2 | -98.7 | 0 | 0 | 0 | 112.2 | P86 Y87 L90 S119 L120 N123 I126 G132 | P86-Y128 HydrophobicContact CB-CD2 4.04Å; P86-Y128 HydrophobicContact CB-CE2 3.64Å; P86-Y128 WeakPolarHBondContact O-CE2 3.35Å; Y87-Y128 PolarHBondContact OH-N 3.02Å; L90-Y128 HydrophobicContact CD1-CD2 3.58Å; L90-Y128 HydrophobicContact CD1-CE2 4Å; L90-Y128 HydrophobicContact CD1-CG 4.37Å; L90-Y128 HydrophobicContact CD2-CD2 4.19Å; L90-Y128 HydrophobicContact CD2-CE2 3.83Å; L90-Y128 HydrophobicContact CG-CD2 3.98Å; L90-Y128 HydrophobicContact CG-CE2 3.86Å; S119-Y128 PolarHBondContact OG-OH 3.39Å; L120-Y128 HydrophobicContact CD2-CD1 3.74Å; L120-Y128 HydrophobicContact CD2-CE1 3.44Å; L120-Y128 VanDerWaalsContact CD2-CE1 3.44Å; L120-Y128 HydrophobicContact CG-CE1 4.07Å; N123-Y128 HydrophobicContact CB-CD1 3.9Å; N123-Y128 HydrophobicContact CB-CE1 4.22Å; N123-Y128 VanDerWaalsContact ND2-CD1 3.33Å; N123-Y128 WeakPolarHBondContact ND2-CD1 3.42Å; N123-Y128 WeakPolarHBondContact ND2-CE1 3.36Å; I126-Y128 VanDerWaalsContact C-N 3.33Å; I126-Y128 PolarHBondContact O-N 3.43Å; Y128-G132 PolarHBondContact O-N 2.94Å |
| 129 | A | 89.4 | Confident | 87 | Confident | 4 Ų | 4 | 33.1 Ų | 33.1 | 3% | 0.033 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.3 | -41.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D125 I126 L133 L163 | D125-A129 WeakPolarHBondContact O-CB 3.42Å; D125-A129 PolarHBondContact O-N 3.47Å; I126-A129 PolarHBondContact O-N 3.38Å; A129-L133 VanDerWaalsContact O-CB 3.26Å; A129-L133 WeakPolarHBondContact O-CB 3.38Å; A129-L133 WeakPolarHBondContact O-CD1 3.33Å; A129-L133 WeakPolarHBondContact O-CG 3.49Å; A129-L133 PolarHBondContact O-N 2.99Å; A129-L163 HydrophobicContact CB-CD2 3.81Å |
| 130 | I | 89.7 | Confident | 86.9 | Confident | 14 Ų | 14 | 32.4 Ų | 32.4 | 7% | 0.072 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.7 | -53.1 | 176.5 | -71.8 | 165.4 | 0 | 0 | 0 | 110.8 | I126 P127 G132 L133 Y134 N175 L176 A179 | I126-I130 HydrophobicContact CG2-CD1 3.8Å; I126-I130 HydrophobicContact CG2-CG1 4.4Å; I126-I130 VanDerWaalsContact O-CG1 3.31Å; I126-I130 WeakPolarHBondContact O-CG1 3.36Å; I126-I130 PolarHBondContact O-N 2.91Å; P127-I130 PolarHBondContact O-N 3.31Å; I130-G132 PolarHBondContact O-N 3.39Å; I130-L133 PolarHBondContact O-N 3.43Å; I130-Y134 HydrophobicContact CG2-CD2 3.92Å; I130-Y134 HydrophobicContact CG2-CE2 3.73Å; I130-Y134 VanDerWaalsContact O-CD2 3.27Å; I130-Y134 WeakPolarHBondContact O-CD2 3.46Å; I130-Y134 PolarHBondContact O-N 3.39Å; I130-Y134 VanDerWaalsContact O-N 3.1Å; I130-N175 HydrophobicContact CD1-CB 3.93Å; I130-L176 HydrophobicContact CD1-CB 4.23Å; I130-L176 HydrophobicContact CG1-CB 4.21Å; I130-L176 HydrophobicContact CG1-CD1 4.07Å; I130-A179 HydrophobicContact CG1-CB 4.47Å; I130-A179 HydrophobicContact CG2-CB 4.26Å |
| 131 | G | 87.7 | Confident | 86.5 | Confident | 10 Ų | 10 | 35.7 Ų | 35.7 | 10% | 0.103 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.4 | -44.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F94 P127 L133 Y134 I135 | F94-G131 VanDerWaalsContact CZ-O 3.28Å; F94-G131 WeakPolarHBondContact CZ-O 3.27Å; P127-G131 PolarHBondContact O-N 2.94Å; G131-L133 PolarHBondContact O-N 3.3Å; G131-Y134 PolarHBondContact O-N 2.98Å; G131-I135 WeakPolarHBondContact O-CG1 3.4Å; G131-I135 PolarHBondContact O-N 2.96Å |
| 132 | G | 90.6 | Very high | 86 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.8 | -33.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y128 I130 I135 L136 | Y128-G132 PolarHBondContact O-N 2.94Å; I130-G132 PolarHBondContact O-N 3.39Å; G132-I135 PolarHBondContact O-N 2.85Å; G132-L136 WeakPolarHBondContact O-CG 3.49Å; G132-L136 PolarHBondContact O-N 3.26Å |
| 133 | L | 91.8 | Very high | 85.5 | Confident | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.1 | -45.9 | 172.3 | -78.8 | 166.2 | 0 | 0 | 0 | 111.3 | A129 I130 G131 L136 S137 I156 L176 A179 V180 F183 | A129-L133 VanDerWaalsContact O-CB 3.26Å; A129-L133 WeakPolarHBondContact O-CB 3.38Å; A129-L133 WeakPolarHBondContact O-CD1 3.33Å; A129-L133 WeakPolarHBondContact O-CG 3.49Å; A129-L133 PolarHBondContact O-N 2.99Å; I130-L133 PolarHBondContact O-N 3.43Å; G131-L133 PolarHBondContact O-N 3.3Å; L133-L136 CarbonylContact O-C 3.6Å; L133-L136 PolarHBondContact O-N 2.96Å; L133-L136 VanDerWaalsContact O-N 3.16Å; L133-S137 PolarHBondContact O-N 2.79Å; L133-S137 PolarHBondContact O-OG 2.92Å; L133-S137 VanDerWaalsContact O-OG 3.13Å; L133-I156 HydrophobicContact CD2-CG2 4.37Å; L133-L176 HydrophobicContact CD1-CD1 4.15Å; L133-A179 HydrophobicContact CB-CB 3.9Å; L133-A179 HydrophobicContact CD1-CB 3.91Å; L133-V180 HydrophobicContact CD1-CG2 3.65Å; L133-F183 HydrophobicContact CD2-CB 3.79Å; L133-F183 HydrophobicContact CD2-CD1 3.37Å; L133-F183 HydrophobicContact CD2-CE1 4.08Å; L133-F183 HydrophobicContact CD2-CG 3.7Å |
| 134 | Y | 91 | Very high | 85 | Confident | 43 Ų | 43 | 27 Ų | 27 | 17% | 0.169 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.2 | -41.2 | 175.6 | -75.9 | -60 | 0 | 0 | 0 | 112.4 | I130 G131 L136 S137 S138 S178 A179 | I130-Y134 HydrophobicContact CG2-CD2 3.92Å; I130-Y134 HydrophobicContact CG2-CE2 3.73Å; I130-Y134 VanDerWaalsContact O-CD2 3.27Å; I130-Y134 WeakPolarHBondContact O-CD2 3.46Å; I130-Y134 PolarHBondContact O-N 3.39Å; I130-Y134 VanDerWaalsContact O-N 3.1Å; G131-Y134 PolarHBondContact O-N 2.98Å; Y134-L136 VanDerWaalsContact C-N 3.29Å; Y134-L136 PolarHBondContact O-N 3.27Å; Y134-S137 WeakPolarHBondContact O-CB 3.39Å; Y134-S137 PolarHBondContact O-N 3.34Å; Y134-S138 PolarHBondContact O-N 2.81Å; Y134-S138 PolarHBondContact O-OG 2.89Å; Y134-S178 WeakPolarHBondContact OH-CB 3.43Å; Y134-S178 PolarHBondContact OH-OG 3.4Å; Y134-A179 HydrophobicContact CD2-CB 4.15Å; Y134-A179 HydrophobicContact CE1-CB 4.43Å; Y134-A179 HydrophobicContact CE2-CB 3.77Å |
| 135 | I | 89.2 | Confident | 84.6 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -54 | -46 | 171.1 | -80 | 160.1 | 0 | 0 | 0 | 110.9 | L90 F93 F94 I97 F116 G131 G132 L139 | L90-I135 HydrophobicContact CB-CD1 4.07Å; L90-I135 HydrophobicContact CD2-CD1 3.58Å; L90-I135 HydrophobicContact CG-CD1 4.44Å; F93-I135 HydrophobicContact CB-CD1 3.67Å; F93-I135 HydrophobicContact CB-CG1 4.13Å; F93-I135 HydrophobicContact CB-CG2 4.37Å; F94-I135 HydrophobicContact CD1-CG1 3.84Å; F94-I135 HydrophobicContact CD2-CD1 3.98Å; F94-I135 HydrophobicContact CD2-CG1 4.19Å; F94-I135 HydrophobicContact CE1-CD1 4.4Å; F94-I135 HydrophobicContact CE1-CG1 3.66Å; F94-I135 HydrophobicContact CE2-CD1 3.84Å; F94-I135 HydrophobicContact CE2-CG1 4.01Å; F94-I135 HydrophobicContact CG-CD1 4.32Å; F94-I135 HydrophobicContact CG-CG1 4.12Å; F94-I135 HydrophobicContact CZ-CD1 4.08Å; F94-I135 HydrophobicContact CZ-CG1 3.75Å; I97-I135 HydrophobicContact CD1-CB 4.22Å; I97-I135 HydrophobicContact CD1-CG1 4.01Å; I97-I135 HydrophobicContact CD1-CG2 3.99Å; F116-I135 HydrophobicContact CE1-CG2 3.63Å; F116-I135 HydrophobicContact CZ-CB 4.31Å; F116-I135 HydrophobicContact CZ-CD1 4.17Å; F116-I135 HydrophobicContact CZ-CG2 3.74Å; G131-I135 WeakPolarHBondContact O-CG1 3.4Å; G131-I135 PolarHBondContact O-N 2.96Å; G132-I135 PolarHBondContact O-N 2.85Å; I135-L139 HydrophobicContact CG2-CD1 3.64Å; I135-L139 HydrophobicContact CG2-CG 4.38Å; I135-L139 VanDerWaalsContact O-CB 3.3Å; I135-L139 WeakPolarHBondContact O-CB 3.39Å; I135-L139 WeakPolarHBondContact O-CG 3.39Å; I135-L139 PolarHBondContact O-N 2.79Å |
| 136 | L | 89.7 | Confident | 84.1 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -70 | -40.1 | 177.3 | -65.6 | 175.3 | 0 | 0 | 0 | 112.5 | F113 F116 L117 L120 G132 L133 Y134 S138 L139 L140 L153 I156 F183 | F113-L136 HydrophobicContact CE2-CD2 4.16Å; F113-L136 HydrophobicContact CZ-CD2 3.98Å; F116-L136 HydrophobicContact CE1-CD2 4.37Å; L117-L136 HydrophobicContact CD2-CD1 4.11Å; L117-L136 HydrophobicContact CD2-CD2 3.71Å; L120-L136 HydrophobicContact CD1-CD1 3.77Å; L120-L136 HydrophobicContact CD1-CG 4.24Å; G132-L136 WeakPolarHBondContact O-CG 3.49Å; G132-L136 PolarHBondContact O-N 3.26Å; L133-L136 CarbonylContact O-C 3.6Å; L133-L136 PolarHBondContact O-N 2.96Å; L133-L136 VanDerWaalsContact O-N 3.16Å; Y134-L136 VanDerWaalsContact C-N 3.29Å; Y134-L136 PolarHBondContact O-N 3.27Å; L136-S138 VanDerWaalsContact C-N 3.26Å; L136-S138 PolarHBondContact O-N 3.47Å; L136-L139 PolarHBondContact O-N 3.26Å; L136-L140 HydrophobicContact CB-CD1 4.49Å; L136-L140 WeakPolarHBondContact O-CB 3.42Å; L136-L140 WeakPolarHBondContact O-CD1 3.19Å; L136-L140 PolarHBondContact O-N 3.17Å; L136-L153 HydrophobicContact CD1-CD2 4.15Å; L136-L153 HydrophobicContact CD2-CD2 4.05Å; L136-I156 HydrophobicContact CD1-CD1 4.04Å; L136-I156 HydrophobicContact CD1-CG2 4.22Å; L136-F183 HydrophobicContact CB-CD2 3.82Å; L136-F183 HydrophobicContact CB-CE2 3.54Å; L136-F183 HydrophobicContact CB-CZ 4.3Å; L136-F183 HydrophobicContact CD1-CE2 4.17Å; L136-F183 HydrophobicContact CD1-CZ 4.1Å; L136-F183 HydrophobicContact CG-CE2 4.47Å |
| 137 | S | 89.6 | Confident | 83.7 | Confident | 6 Ų | 6 | 21.9 Ų | 21.9 | 4% | 0.042 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -55 | -41 | 174.7 | -64.8 | 0 | 0 | 0 | 0 | 112.5 | L133 Y134 P141 S182 F183 S186 | L133-S137 PolarHBondContact O-N 2.79Å; L133-S137 PolarHBondContact O-OG 2.92Å; L133-S137 VanDerWaalsContact O-OG 3.13Å; Y134-S137 WeakPolarHBondContact O-CB 3.39Å; Y134-S137 PolarHBondContact O-N 3.34Å; S137-P141 WeakPolarHBondContact O-CD 3.12Å; S137-S182 WeakPolarHBondContact CB-OG 3.49Å; S137-S182 PolarHBondContact OG-OG 2.92Å; S137-F183 WeakPolarHBondContact OG-CA 3.33Å; S137-F183 PolarHBondContact OG-N 3.5Å; S137-F183 VanDerWaalsContact OG-N 3.14Å; S137-S186 PolarHBondContact O-OG 2.68Å |
| 138 | S | 85.7 | Confident | 83.4 | Confident | 27 Ų | 27 | 22.7 Ų | 22.7 | 19% | 0.189 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -82.7 | -34.8 | 179.5 | -57.7 | 0 | 0 | 0 | 0 | 113.4 | Y134 L136 L140 L142 | Y134-S138 PolarHBondContact O-N 2.81Å; Y134-S138 PolarHBondContact O-OG 2.89Å; L136-S138 VanDerWaalsContact C-N 3.26Å; L136-S138 PolarHBondContact O-N 3.47Å; S138-L140 VanDerWaalsContact C-N 3.34Å; S138-L142 VanDerWaalsContact O-CD1 3.3Å; S138-L142 WeakPolarHBondContact O-CD1 3.39Å; S138-L142 WeakPolarHBondContact O-CG 3.41Å |
| 139 | L | 84.4 | Confident | 83.2 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.9 | -28.3 | 176.2 | -74.4 | 173.1 | 0 | 0 | 0 | 112.9 | I97 M104 L107 F113 I135 L136 L142 L143 L146 | I97-L139 HydrophobicContact CD1-CD1 4.21Å; I97-L139 HydrophobicContact CD1-CD2 3.93Å; I97-L139 HydrophobicContact CD1-CG 3.72Å; I97-L139 HydrophobicContact CG1-CD2 3.64Å; I97-L139 HydrophobicContact CG1-CG 4.02Å; M104-L139 HydrophobicContact SD-CD2 4.11Å; L107-L139 HydrophobicContact CD2-CD1 3.96Å; L107-L139 HydrophobicContact CD2-CD2 4.06Å; F113-L139 HydrophobicContact CE2-CD1 3.93Å; I135-L139 HydrophobicContact CG2-CD1 3.64Å; I135-L139 HydrophobicContact CG2-CG 4.38Å; I135-L139 VanDerWaalsContact O-CB 3.3Å; I135-L139 WeakPolarHBondContact O-CB 3.39Å; I135-L139 WeakPolarHBondContact O-CG 3.39Å; I135-L139 PolarHBondContact O-N 2.79Å; L136-L139 PolarHBondContact O-N 3.26Å; L139-L142 PolarHBondContact O-N 2.91Å; L139-L143 HydrophobicContact CB-CD1 4.44Å; L139-L143 HydrophobicContact CD2-CD1 3.75Å; L139-L143 WeakPolarHBondContact O-CB 3.36Å; L139-L143 PolarHBondContact O-N 2.95Å; L139-L146 HydrophobicContact CB-CD1 4.35Å; L139-L146 WeakPolarHBondContact O-CD1 3.39Å |
| 140 | L | 84 | Confident | 83.1 | Confident | 3 Ų | 3 | 24.5 Ų | 24.5 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58 | -53.1 | -176 | -111.1 | 71.8 | 0 | 0 | 0 | 113.3 | L136 S138 L142 L146 L153 F183 L187 L190 | L136-L140 HydrophobicContact CB-CD1 4.49Å; L136-L140 WeakPolarHBondContact O-CB 3.42Å; L136-L140 WeakPolarHBondContact O-CD1 3.19Å; L136-L140 PolarHBondContact O-N 3.17Å; S138-L140 VanDerWaalsContact C-N 3.34Å; L140-L142 VanDerWaalsContact C-N 3.32Å; L140-L142 PolarHBondContact O-N 3.42Å; L140-L146 HydrophobicContact CD1-CD1 3.94Å; L140-L146 HydrophobicContact CG-CD1 4.4Å; L140-L153 HydrophobicContact CD1-CD1 4.02Å; L140-L153 HydrophobicContact CD1-CD2 4.15Å; L140-F183 HydrophobicContact CD1-CE2 4.11Å; L140-F183 HydrophobicContact CD2-CE2 4.3Å; L140-L187 HydrophobicContact CD2-CB 4.4Å; L140-L187 HydrophobicContact CD2-CD2 3.7Å; L140-L187 HydrophobicContact CD2-CG 3.72Å; L140-L190 VanDerWaalsContact C-CD1 3.45Å; L140-L190 HydrophobicContact CB-CD1 3.68Å; L140-L190 HydrophobicContact CD2-CD1 4.22Å; L140-L190 HydrophobicContact CG-CD1 4.09Å; L140-L190 WeakPolarHBondContact O-CD1 3.22Å |
| 141 | P | 77.5 | Confident | 83.1 | Confident | 78 Ų | 78 | 28.6 Ų | 28.6 | 51% | 0.506 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -67 | -31.4 | 176.1 | -22.1 | 34.7 | 0 | 0 | 0 | 113.4 | S137 | S137-P141 WeakPolarHBondContact O-CD 3.12Å |
| 142 | L | 77.2 | Confident | 83.2 | Confident | 80 Ų | 80 | 29.5 Ų | 29.5 | 42% | 0.419 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -76.3 | -21.6 | -176.5 | -65.2 | 173.5 | 0 | 0 | 0 | 113.7 | I97 M104 S138 L139 L140 | I97-L142 HydrophobicContact CG2-CD1 4.23Å; M104-L142 HydrophobicContact CE-CB 4.38Å; M104-L142 HydrophobicContact CE-CD1 4.05Å; S138-L142 VanDerWaalsContact O-CD1 3.3Å; S138-L142 WeakPolarHBondContact O-CD1 3.39Å; S138-L142 WeakPolarHBondContact O-CG 3.41Å; L139-L142 PolarHBondContact O-N 2.91Å; L140-L142 VanDerWaalsContact C-N 3.32Å; L140-L142 PolarHBondContact O-N 3.42Å |
| 143 | L | 75.8 | Confident | 83.3 | Confident | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | trans | -134.6 | 83.1 | -169.2 | -62.8 | 177.8 | 0 | 0 | 0 | 113.4 | Q105 L107 P108 L139 S145 L146 | Q105-L143 HydrophobicContact CG-CD2 4.43Å; L107-L143 HydrophobicContact CB-CD1 4.43Å; L107-L143 HydrophobicContact CD2-CD1 4.34Å; P108-L143 HydrophobicContact CG-CB 4.27Å; P108-L143 HydrophobicContact CG-CD1 3.83Å; L139-L143 HydrophobicContact CB-CD1 4.44Å; L139-L143 HydrophobicContact CD2-CD1 3.75Å; L139-L143 WeakPolarHBondContact O-CB 3.36Å; L139-L143 PolarHBondContact O-N 2.95Å; L143-S145 PolarHBondContact O-N 2.93Å; L143-L146 HydrophobicContact CB-CD1 3.8Å; L143-L146 HydrophobicContact CB-CG 3.95Å; L143-L146 VanDerWaalsContact O-CB 3.3Å; L143-L146 WeakPolarHBondContact O-CB 3.28Å; L143-L146 WeakPolarHBondContact O-CD1 3.46Å; L143-L146 VanDerWaalsContact O-CG 3.23Å; L143-L146 WeakPolarHBondContact O-CG 3.4Å; L143-L146 PolarHBondContact O-N 2.66Å | ||
| 144 | P | 67.6 | Low | 83.2 | Confident | 51 Ų | 51 | 29.4 Ų | 29.4 | 33% | 0.331 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -55.3 | -21.2 | 174.4 | -29.3 | 36.8 | 0 | 0 | 0 | 116 | L146 T147 W247 | P144-L146 PolarHBondContact O-N 2.67Å; P144-L146 VanDerWaalsContact O-N 3.16Å; P144-T147 PolarHBondContact O-N 2.86Å; P144-T147 PolarHBondContact O-OG1 3.35Å; P144-T147 VanDerWaalsContact O-OG1 3.12Å; P144-W247 HydrophobicContact CB-CB 3.45Å; P144-W247 VanDerWaalsContact CB-CB 3.45Å; P144-W247 HydrophobicContact CB-CD2 4.3Å; P144-W247 HydrophobicContact CB-CG 3.71Å; P144-W247 HydrophobicContact CG-CB 3.73Å; P144-W247 HydrophobicContact CG-CG 4.26Å |
| 145 | S | 69.6 | Low | 83.3 | Confident | 44 Ų | 44 | 30.7 Ų | 30.7 | 31% | 0.308 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -65.2 | -8.4 | 173.6 | 45.7 | 0 | 0 | 0 | 0 | 114 | P108 L143 T147 | P108-S145 WeakPolarHBondContact CG-OG 3.46Å; L143-S145 PolarHBondContact O-N 2.93Å; S145-T147 PolarHBondContact O-N 3.14Å |
| 146 | L | 75.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -69.5 | -11.1 | 173.7 | -69.7 | 169.9 | 0 | 0 | 0 | 114.6 | P108 F113 L139 L140 L143 P144 A148 H149 F150 L153 | P108-L146 HydrophobicContact CB-CD2 4.02Å; P108-L146 HydrophobicContact CG-CD2 3.86Å; P108-L146 HydrophobicContact CG-CG 4.13Å; F113-L146 HydrophobicContact CD1-CD2 4.37Å; F113-L146 HydrophobicContact CE1-CD2 3.28Å; F113-L146 HydrophobicContact CZ-CD2 3.39Å; L139-L146 HydrophobicContact CB-CD1 4.35Å; L139-L146 WeakPolarHBondContact O-CD1 3.39Å; L140-L146 HydrophobicContact CD1-CD1 3.94Å; L140-L146 HydrophobicContact CG-CD1 4.4Å; L143-L146 HydrophobicContact CB-CD1 3.8Å; L143-L146 HydrophobicContact CB-CG 3.95Å; L143-L146 VanDerWaalsContact O-CB 3.3Å; L143-L146 WeakPolarHBondContact O-CB 3.28Å; L143-L146 WeakPolarHBondContact O-CD1 3.46Å; L143-L146 VanDerWaalsContact O-CG 3.23Å; L143-L146 WeakPolarHBondContact O-CG 3.4Å; L143-L146 PolarHBondContact O-N 2.66Å; P144-L146 PolarHBondContact O-N 2.67Å; P144-L146 VanDerWaalsContact O-N 3.16Å; L146-A148 PolarHBondContact O-N 3.15Å; L146-A148 VanDerWaalsContact O-N 3.15Å; L146-H149 WeakPolarHBondContact O-CA 3.48Å; L146-H149 PolarHBondContact O-N 3.22Å; L146-F150 PolarHBondContact O-N 2.8Å; L146-L153 HydrophobicContact CB-CD1 4.43Å |
| 147 | T | 76.7 | Confident | 83.5 | Confident | 21 Ų | 21 | 31 Ų | 31 | 13% | 0.129 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -43.5 | -43.3 | 169.7 | 37.4 | 0 | 0 | 0 | 0 | 113.4 | P144 S145 H149 F150 Y191 M242 | P144-T147 PolarHBondContact O-N 2.86Å; P144-T147 PolarHBondContact O-OG1 3.35Å; P144-T147 VanDerWaalsContact O-OG1 3.12Å; S145-T147 PolarHBondContact O-N 3.14Å; T147-H149 PolarHBondContact O-N 3.06Å; T147-F150 VanDerWaalsContact O-CB 3.32Å; T147-F150 WeakPolarHBondContact O-CB 3.42Å; T147-F150 PolarHBondContact O-N 3.28Å; T147-Y191 HydrophobicContact CG2-CE1 3.8Å; T147-Y191 WeakPolarHBondContact CG2-OH 3.39Å; T147-M242 VanDerWaalsContact O-CE 3.31Å; T147-M242 WeakPolarHBondContact O-CE 3.4Å |
| 148 | A | 80.5 | Confident | 83.5 | Confident | 87 Ų | 87 | 31.3 Ų | 31.3 | 72% | 0.719 | 19% | 0.191 | S | C | * | . | G | 310 helix | trans | -63.3 | -26.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | L146 | L146-A148 PolarHBondContact O-N 3.15Å; L146-A148 VanDerWaalsContact O-N 3.15Å |
| 149 | H | 83.6 | Confident | 83.7 | Confident | 38 Ų | 38 | 31.6 Ų | 31.6 | 18% | 0.176 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -97.5 | 2.2 | -178.1 | -65.8 | -71.2 | 0 | 0 | 0 | 113.5 | P108 L117 L146 T147 N151 C152 L153 | P108-H149 PolarHBondContact O-NE2 3.25Å; L117-H149 HydrophobicContact CD1-CB 3.78Å; L146-H149 WeakPolarHBondContact O-CA 3.48Å; L146-H149 PolarHBondContact O-N 3.22Å; T147-H149 PolarHBondContact O-N 3.06Å; H149-N151 VanDerWaalsContact C-N 3.33Å; H149-N151 PolarHBondContact O-N 3.28Å; H149-C152 WeakPolarHBondContact O-CA 3.48Å; H149-C152 WeakPolarHBondContact O-CB 3.33Å; H149-C152 PolarHBondContact O-N 2.84Å; H149-L153 PolarHBondContact O-N 3.22Å |
| 150 | F | 88.4 | Confident | 84 | Confident | 8 Ų | 8 | 31.8 Ų | 31.8 | 4% | 0.035 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -47.1 | -49.3 | -174.3 | 178.8 | -97.7 | 0 | 0 | 0 | 114 | L146 T147 C152 L153 C154 L187 Y191 N194 L195 M242 | L146-F150 PolarHBondContact O-N 2.8Å; T147-F150 VanDerWaalsContact O-CB 3.32Å; T147-F150 WeakPolarHBondContact O-CB 3.42Å; T147-F150 PolarHBondContact O-N 3.28Å; F150-C152 PolarHBondContact O-N 2.84Å; F150-L153 WeakPolarHBondContact O-CB 3.2Å; F150-L153 PolarHBondContact O-N 3.27Å; F150-L153 VanDerWaalsContact O-N 3.11Å; F150-C154 VanDerWaalsContact CE2-SG 3.56Å; F150-C154 WeakPolarHBondContact CZ-SG 3.3Å; F150-C154 PolarHBondContact O-N 3.38Å; F150-L187 HydrophobicContact CE2-CD2 4.34Å; F150-Y191 HydrophobicContact CD2-CD2 4.01Å; F150-Y191 AromaticContact CD2-CG 3.96Å; F150-Y191 HydrophobicContact CD2-CG 3.96Å; F150-Y191 HydrophobicContact CE2-CD2 4.19Å; F150-Y191 AromaticContact CE2-CG 3.93Å; F150-Y191 HydrophobicContact CE2-CG 3.93Å; F150-N194 HydrophobicContact CD1-CB 4.44Å; F150-N194 HydrophobicContact CE1-CB 3.65Å; F150-N194 HydrophobicContact CE2-CB 4.2Å; F150-N194 HydrophobicContact CZ-CB 3.51Å; F150-L195 HydrophobicContact CZ-CB 4.45Å; F150-M242 HydrophobicContact CB-CE 4.18Å |
| 151 | N | 89.3 | Confident | 84.2 | Confident | 100 Ų | 100 | 31.8 Ų | 31.8 | 54% | 0.535 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61 | -28.6 | 178.1 | -79.8 | -64.1 | 0 | 0 | 0 | 113.6 | H149 Q155 | H149-N151 VanDerWaalsContact C-N 3.33Å; H149-N151 PolarHBondContact O-N 3.28Å; N151-Q155 VanDerWaalsContact O-CD 3.22Å; N151-Q155 WeakPolarHBondContact O-CG 3.44Å; N151-Q155 PolarHBondContact O-N 3.09Å; N151-Q155 PolarHBondContact O-NE2 3.25Å; N151-Q155 VanDerWaalsContact O-NE2 3.15Å |
| 152 | C | 90.1 | Very high | 84.7 | Confident | 29 Ų | 29 | 31.8 Ų | 31.8 | 20% | 0.196 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -79 | -40.3 | 174.2 | -163.3 | 0 | 0 | 0 | 0 | 111.4 | H149 F150 C154 Q155 I156 | H149-C152 WeakPolarHBondContact O-CA 3.48Å; H149-C152 WeakPolarHBondContact O-CB 3.33Å; H149-C152 PolarHBondContact O-N 2.84Å; F150-C152 PolarHBondContact O-N 2.84Å; C152-C154 PolarHBondContact O-N 3.31Å; C152-Q155 CarbonylContact O-C 3.56Å; C152-Q155 WeakPolarHBondContact O-CB 3.43Å; C152-Q155 PolarHBondContact O-N 3.07Å; C152-Q155 VanDerWaalsContact O-N 3.1Å; C152-I156 WeakPolarHBondContact O-CG1 3.31Å; C152-I156 PolarHBondContact O-N 2.8Å |
| 153 | L | 91.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59 | -45.8 | 175.9 | -65 | 169.1 | 0 | 0 | 0 | 111.4 | L117 L136 L140 L146 H149 F150 Q155 I156 L157 F183 L187 | L117-L153 HydrophobicContact CD2-CD2 3.94Å; L136-L153 HydrophobicContact CD1-CD2 4.15Å; L136-L153 HydrophobicContact CD2-CD2 4.05Å; L140-L153 HydrophobicContact CD1-CD1 4.02Å; L140-L153 HydrophobicContact CD1-CD2 4.15Å; L146-L153 HydrophobicContact CB-CD1 4.43Å; H149-L153 PolarHBondContact O-N 3.22Å; F150-L153 WeakPolarHBondContact O-CB 3.2Å; F150-L153 PolarHBondContact O-N 3.27Å; F150-L153 VanDerWaalsContact O-N 3.11Å; L153-Q155 VanDerWaalsContact C-N 3.29Å; L153-Q155 PolarHBondContact O-N 3.49Å; L153-I156 PolarHBondContact O-N 3.38Å; L153-L157 PolarHBondContact O-N 2.96Å; L153-F183 HydrophobicContact CB-CZ 4.09Å; L153-F183 HydrophobicContact CD2-CE2 4.28Å; L153-F183 HydrophobicContact CD2-CZ 4.03Å; L153-L187 HydrophobicContact CB-CD2 4.16Å |
| 154 | C | 91.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.3 | -26.4 | 175.1 | -63.7 | 0 | 0 | 0 | 0 | 113.7 | F150 C152 L158 F198 | F150-C154 VanDerWaalsContact CE2-SG 3.56Å; F150-C154 WeakPolarHBondContact CZ-SG 3.3Å; F150-C154 PolarHBondContact O-N 3.38Å; C152-C154 PolarHBondContact O-N 3.31Å; C154-L158 PolarHBondContact O-N 2.68Å; C154-F198 HydrophobicContact CB-CD1 3.58Å; C154-F198 HydrophobicContact CB-CD2 4.07Å; C154-F198 HydrophobicContact CB-CE1 3.49Å; C154-F198 VanDerWaalsContact CB-CE1 3.49Å; C154-F198 HydrophobicContact CB-CE2 4.01Å; C154-F198 HydrophobicContact CB-CG 3.86Å; C154-F198 HydrophobicContact CB-CZ 3.73Å; C154-F198 WeakPolarHBondContact O-CE1 3.48Å |
| 155 | Q | 91.6 | Very high | 86.5 | Confident | 69 Ų | 69 | 28.6 Ų | 28.6 | 32% | 0.322 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -75.9 | -34.2 | 172.1 | -72.9 | 168.6 | 32.9 | 0 | 0 | 112.3 | K121 N151 C152 L153 L158 A159 F198 | K121-Q155 HydrophobicContact CD-CB 4.34Å; N151-Q155 VanDerWaalsContact O-CD 3.22Å; N151-Q155 WeakPolarHBondContact O-CG 3.44Å; N151-Q155 PolarHBondContact O-N 3.09Å; N151-Q155 PolarHBondContact O-NE2 3.25Å; N151-Q155 VanDerWaalsContact O-NE2 3.15Å; C152-Q155 CarbonylContact O-C 3.56Å; C152-Q155 WeakPolarHBondContact O-CB 3.43Å; C152-Q155 PolarHBondContact O-N 3.07Å; C152-Q155 VanDerWaalsContact O-N 3.1Å; L153-Q155 VanDerWaalsContact C-N 3.29Å; L153-Q155 PolarHBondContact O-N 3.49Å; Q155-L158 PolarHBondContact O-N 2.85Å; Q155-A159 WeakPolarHBondContact O-CB 3.29Å; Q155-A159 PolarHBondContact O-N 2.81Å; Q155-F198 HydrophobicContact CG-CZ 4.2Å |
| 156 | I | 91.9 | Very high | 87.2 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.7 | -44.3 | 170.5 | -67.6 | 163.9 | 0 | 0 | 0 | 109.7 | L117 L120 K121 L133 L136 C152 L153 L158 A159 S160 F183 | L117-I156 HydrophobicContact CB-CD1 4.17Å; L117-I156 HydrophobicContact CD2-CD1 3.61Å; L117-I156 HydrophobicContact CG-CD1 4.48Å; L120-I156 HydrophobicContact CB-CD1 4.31Å; L120-I156 HydrophobicContact CB-CG2 4.45Å; K121-I156 HydrophobicContact CB-CG1 4.01Å; L133-I156 HydrophobicContact CD2-CG2 4.37Å; L136-I156 HydrophobicContact CD1-CD1 4.04Å; L136-I156 HydrophobicContact CD1-CG2 4.22Å; C152-I156 WeakPolarHBondContact O-CG1 3.31Å; C152-I156 PolarHBondContact O-N 2.8Å; L153-I156 PolarHBondContact O-N 3.38Å; I156-L158 VanDerWaalsContact C-N 3.32Å; I156-L158 PolarHBondContact O-N 2.95Å; I156-A159 WeakPolarHBondContact O-CB 3.27Å; I156-A159 PolarHBondContact O-N 3.06Å; I156-A159 VanDerWaalsContact O-N 3.08Å; I156-S160 WeakPolarHBondContact O-CB 3.18Å; I156-S160 PolarHBondContact O-N 3.41Å; I156-S160 PolarHBondContact O-OG 3.48Å; I156-F183 HydrophobicContact CB-CE1 4.45Å; I156-F183 HydrophobicContact CG2-CE1 4.19Å |
| 157 | L | 91.8 | Very high | 87.5 | Confident | 5 Ų | 5 | 36.8 Ų | 36.8 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -53.8 | -47 | 174.2 | 179.8 | 69.3 | 0 | 0 | 0 | 111.7 | L153 A161 F183 F184 L187 L195 M223 | L153-L157 PolarHBondContact O-N 2.96Å; L157-A161 VanDerWaalsContact O-CB 3.27Å; L157-A161 WeakPolarHBondContact O-CB 3.33Å; L157-A161 PolarHBondContact O-N 2.83Å; L157-F183 HydrophobicContact CB-CD1 4.23Å; L157-F183 HydrophobicContact CB-CE1 3.91Å; L157-F183 HydrophobicContact CD1-CD1 3.98Å; L157-F183 HydrophobicContact CD1-CE1 4.49Å; L157-F184 HydrophobicContact CD1-CB 4.04Å; L157-F184 HydrophobicContact CD1-CD2 4.47Å; L157-F184 HydrophobicContact CD2-CD2 3.99Å; L157-L187 HydrophobicContact CB-CD1 4.2Å; L157-L187 HydrophobicContact CD2-CD1 4.07Å; L157-L195 HydrophobicContact CD2-CD1 3.84Å; L157-M223 HydrophobicContact CD1-CE 4.01Å |
| 158 | L | 90.4 | Very high | 87.4 | Confident | 13 Ų | 13 | 38.6 Ų | 38.6 | 7% | 0.068 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.6 | -33.2 | 176.3 | -73 | -177.4 | 0 | 0 | 0 | 113.7 | C154 Q155 I156 K162 F198 Q202 F203 | C154-L158 PolarHBondContact O-N 2.68Å; Q155-L158 PolarHBondContact O-N 2.85Å; I156-L158 VanDerWaalsContact C-N 3.32Å; I156-L158 PolarHBondContact O-N 2.95Å; L158-K162 WeakPolarHBondContact O-CB 3.45Å; L158-K162 VanDerWaalsContact O-CG 3.23Å; L158-K162 WeakPolarHBondContact O-CG 3.49Å; L158-K162 PolarHBondContact O-N 2.88Å; L158-F198 HydrophobicContact CD1-CE1 3.52Å; L158-F198 HydrophobicContact CD1-CZ 3.79Å; L158-F198 HydrophobicContact CG-CE1 3.96Å; L158-Q202 HydrophobicContact CD1-CB 4.15Å; L158-Q202 HydrophobicContact CD1-CG 3.81Å; L158-F203 HydrophobicContact CD2-CE2 3.8Å; L158-F203 HydrophobicContact CD2-CZ 3.69Å |
| 159 | A | 90.2 | Very high | 87.1 | Confident | 32 Ų | 32 | 44.5 Ų | 44.5 | 26% | 0.264 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.5 | -47.5 | 175 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q155 I156 K162 L163 | Q155-A159 WeakPolarHBondContact O-CB 3.29Å; Q155-A159 PolarHBondContact O-N 2.81Å; I156-A159 WeakPolarHBondContact O-CB 3.27Å; I156-A159 PolarHBondContact O-N 3.06Å; I156-A159 VanDerWaalsContact O-N 3.08Å; A159-K162 CarbonylContact O-C 3.58Å; A159-K162 WeakPolarHBondContact O-CB 3.41Å; A159-K162 PolarHBondContact O-N 3.42Å; A159-L163 PolarHBondContact O-N 2.88Å |
| 160 | S | 89.7 | Confident | 86.7 | Confident | 5 Ų | 5 | 45.4 Ų | 45.4 | 4% | 0.035 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.7 | -36.5 | 178.4 | -58.3 | 0 | 0 | 0 | 0 | 112.9 | I156 K162 L163 Q164 | I156-S160 WeakPolarHBondContact O-CB 3.18Å; I156-S160 PolarHBondContact O-N 3.41Å; I156-S160 PolarHBondContact O-OG 3.48Å; S160-K162 VanDerWaalsContact C-N 3.34Å; S160-K162 PolarHBondContact O-N 3.08Å; S160-L163 WeakPolarHBondContact O-CB 3.26Å; S160-L163 PolarHBondContact O-N 2.93Å; S160-Q164 PolarHBondContact O-N 3.3Å |
| 161 | A | 88.6 | Confident | 85.9 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 2% | 0.017 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.8 | -40.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L157 L163 Q164 Q165 L215 V219 | L157-A161 VanDerWaalsContact O-CB 3.27Å; L157-A161 WeakPolarHBondContact O-CB 3.33Å; L157-A161 PolarHBondContact O-N 2.83Å; A161-L163 VanDerWaalsContact C-N 3.34Å; A161-Q164 PolarHBondContact O-N 3.23Å; A161-Q165 PolarHBondContact O-N 2.87Å; A161-L215 HydrophobicContact CB-CD1 4.01Å; A161-L215 WeakPolarHBondContact O-CD1 3.48Å; A161-V219 HydrophobicContact CB-CG1 3.79Å |
| 162 | K | 88.3 | Confident | 85.2 | Confident | 78 Ų | 78 | 50.9 Ų | 50.9 | 34% | 0.339 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.3 | -32.4 | 172.9 | -74.5 | 170.9 | 179.4 | 179 | 0 | 112.3 | L158 A159 S160 K166 H212 L215 | L158-K162 WeakPolarHBondContact O-CB 3.45Å; L158-K162 VanDerWaalsContact O-CG 3.23Å; L158-K162 WeakPolarHBondContact O-CG 3.49Å; L158-K162 PolarHBondContact O-N 2.88Å; A159-K162 CarbonylContact O-C 3.58Å; A159-K162 WeakPolarHBondContact O-CB 3.41Å; A159-K162 PolarHBondContact O-N 3.42Å; S160-K162 VanDerWaalsContact C-N 3.34Å; S160-K162 PolarHBondContact O-N 3.08Å; K162-K166 WeakPolarHBondContact O-CG 3.35Å; K162-K166 PolarHBondContact O-N 3.5Å; K162-K166 VanDerWaalsContact O-N 3.15Å; K162-H212 PolarHBondContact NZ-NE2 3.3Å; K162-L215 HydrophobicContact CD-CD2 4.2Å; K162-L215 HydrophobicContact CG-CD1 4.11Å; K162-L215 HydrophobicContact CG-CD2 3.56Å; K162-L215 HydrophobicContact CG-CG 4.47Å |
| 163 | L | 87.2 | Confident | 84.8 | Confident | 12 Ų | 12 | 50.5 Ų | 50.5 | 6% | 0.063 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.4 | -46.4 | 172.5 | -167.6 | 68.6 | 0 | 0 | 0 | 110.6 | A124 I126 A129 A159 S160 A161 Q165 K166 H167 L176 | A124-L163 HydrophobicContact CB-CD1 4.45Å; A124-L163 WeakPolarHBondContact O-CD1 3.45Å; I126-L163 HydrophobicContact CG1-CD2 4.43Å; A129-L163 HydrophobicContact CB-CD2 3.81Å; A159-L163 PolarHBondContact O-N 2.88Å; S160-L163 WeakPolarHBondContact O-CB 3.26Å; S160-L163 PolarHBondContact O-N 2.93Å; A161-L163 VanDerWaalsContact C-N 3.34Å; L163-Q165 VanDerWaalsContact C-N 3.33Å; L163-Q165 PolarHBondContact O-N 2.83Å; L163-K166 PolarHBondContact O-N 3.44Å; L163-H167 WeakPolarHBondContact O-CB 3.23Å; L163-H167 PolarHBondContact O-CD2 2.87Å; L163-H167 VanDerWaalsContact O-CD2 3.26Å; L163-H167 PolarHBondContact O-N 2.85Å; L163-L176 HydrophobicContact CB-CD2 4.26Å; L163-L176 HydrophobicContact CD2-CD1 4.47Å; L163-L176 HydrophobicContact CD2-CD2 4.07Å; L163-L176 HydrophobicContact CG-CD2 3.96Å |
| 164 | Q | 85.8 | Confident | 84.4 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.019 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.4 | -45 | 175.6 | -170.3 | -171 | -9.7 | 0 | 0 | 111.6 | S160 A161 K166 H167 A168 E173 L176 R177 | S160-Q164 PolarHBondContact O-N 3.3Å; A161-Q164 PolarHBondContact O-N 3.23Å; Q164-K166 PolarHBondContact O-N 2.88Å; Q164-H167 CarbonylContact O-C 3.56Å; Q164-H167 PolarHBondContact O-N 3.04Å; Q164-H167 VanDerWaalsContact O-N 3.16Å; Q164-A168 PolarHBondContact O-N 3.25Å; Q164-E173 PolarHBondContact NE2-OE1 3.43Å; Q164-L176 HydrophobicContact CB-CD2 4.07Å; Q164-L176 HydrophobicContact CB-CG 4.19Å; Q164-R177 VanDerWaalsContact NE2-CB 3.26Å |
| 165 | Q | 84.9 | Confident | 84.2 | Confident | 52 Ų | 52 | 55.1 Ų | 55.1 | 24% | 0.243 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59 | -45.2 | 176.9 | -166.3 | -175.4 | 24.3 | 0 | 0 | 112.1 | A161 L163 H167 A168 L215 E218 V219 | A161-Q165 PolarHBondContact O-N 2.87Å; L163-Q165 VanDerWaalsContact C-N 3.33Å; L163-Q165 PolarHBondContact O-N 2.83Å; Q165-H167 VanDerWaalsContact C-N 3.31Å; Q165-H167 PolarHBondContact O-N 2.97Å; Q165-A168 WeakPolarHBondContact O-CB 3.4Å; Q165-L215 HydrophobicContact CB-CD1 4.11Å; Q165-E218 WeakPolarHBondContact CG-OE2 3.26Å; Q165-E218 PolarHBondContact NE2-OE2 2.87Å; Q165-V219 HydrophobicContact CB-CG2 4.22Å |
| 166 | K | 84.3 | Confident | 84.1 | Confident | 162 Ų | 162 | 51.9 Ų | 51.9 | 70% | 0.704 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -62 | -37.4 | 175.1 | -74.3 | 173.1 | 177.2 | -176.7 | 0 | 112.9 | K162 L163 Q164 | K162-K166 WeakPolarHBondContact O-CG 3.35Å; K162-K166 PolarHBondContact O-N 3.5Å; K162-K166 VanDerWaalsContact O-N 3.15Å; L163-K166 PolarHBondContact O-N 3.44Å; Q164-K166 PolarHBondContact O-N 2.88Å |
| 167 | H | 82.2 | Confident | 84 | Confident | 53 Ų | 53 | 56.7 Ų | 56.7 | 25% | 0.245 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 15 | -172.8 | -70.7 | -76.3 | 0 | 0 | 0 | 114.1 | I126 L163 Q164 Q165 K169 T170 | I126-H167 HydrophobicContact CD1-CB 4.27Å; L163-H167 WeakPolarHBondContact O-CB 3.23Å; L163-H167 PolarHBondContact O-CD2 2.87Å; L163-H167 VanDerWaalsContact O-CD2 3.26Å; L163-H167 PolarHBondContact O-N 2.85Å; Q164-H167 CarbonylContact O-C 3.56Å; Q164-H167 PolarHBondContact O-N 3.04Å; Q164-H167 VanDerWaalsContact O-N 3.16Å; Q165-H167 VanDerWaalsContact C-N 3.31Å; Q165-H167 PolarHBondContact O-N 2.97Å; H167-K169 PolarHBondContact O-N 2.9Å; H167-T170 HydrophobicContact CB-CG2 4.23Å; H167-T170 PolarHBondContact O-N 2.88Å; H167-T170 PolarHBondContact O-OG1 3.26Å |
| 168 | A | 74.3 | Confident | 83.9 | Confident | 60 Ų | 60 | 59.3 Ų | 59.3 | 50% | 0.496 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -6.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q164 Q165 | Q164-A168 PolarHBondContact O-N 3.25Å; Q165-A168 WeakPolarHBondContact O-CB 3.4Å |
| 169 | K | 74.3 | Confident | 83.9 | Confident | 211 Ų | 211 | 58.7 Ų | 58.7 | 92% | 0.917 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.7 | 12.3 | 177.3 | -61.6 | -175.9 | 179.6 | -179.5 | 0 | 113.6 | H167 | H167-K169 PolarHBondContact O-N 2.9Š|
| 170 | T | 75.9 | Confident | 84 | Confident | 56 Ų | 56 | 57.1 Ų | 57.1 | 34% | 0.344 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -105.5 | 156.2 | -177.2 | 68.5 | 0 | 0 | 0 | 0 | 112 | H167 C172 E173 | H167-T170 HydrophobicContact CB-CG2 4.23Å; H167-T170 PolarHBondContact O-N 2.88Å; H167-T170 PolarHBondContact O-OG1 3.26Å; T170-C172 PolarHBondContact O-N 3.32Å; T170-C172 VanDerWaalsContact O-N 3.13Å; T170-E173 VanDerWaalsContact O-CB 3.24Å; T170-E173 WeakPolarHBondContact O-CB 3.44Å; T170-E173 PolarHBondContact O-N 2.69Å |
| 171 | F | 71.2 | Confident | 84.1 | Confident | 178 Ų | 178 | 58.2 Ų | 58.2 | 78% | 0.781 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -24.7 | 179.1 | -175 | -100.9 | 0 | 0 | 0 | 113.7 | E173 P174 | F171-E173 VanDerWaalsContact C-N 3.34Å; F171-P174 WeakPolarHBondContact O-CD 3.23Å |
| 172 | C | 73.9 | Confident | 84.2 | Confident | 46 Ų | 46 | 59.5 Ų | 59.5 | 31% | 0.311 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -9 | 178.5 | -53.9 | 0 | 0 | 0 | 0 | 114.3 | I126 T170 N175 L176 | I126-C172 HydrophobicContact CD1-CB 4.38Å; I126-C172 HydrophobicContact CG2-CB 3.81Å; T170-C172 PolarHBondContact O-N 3.32Å; T170-C172 VanDerWaalsContact O-N 3.13Å; C172-N175 PolarHBondContact O-N 2.7Å; C172-L176 PolarHBondContact O-N 2.89Å |
| 173 | E | 81.2 | Confident | 84.4 | Confident | 20 Ų | 20 | 55.8 Ų | 55.8 | 9% | 0.093 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -51.5 | -49.8 | -178.4 | -163.1 | -70.5 | 143.3 | 0 | 0 | 114.6 | Q164 T170 F171 N175 L176 R177 | Q164-E173 PolarHBondContact NE2-OE1 3.43Å; T170-E173 VanDerWaalsContact O-CB 3.24Å; T170-E173 WeakPolarHBondContact O-CB 3.44Å; T170-E173 PolarHBondContact O-N 2.69Å; F171-E173 VanDerWaalsContact C-N 3.34Å; E173-N175 VanDerWaalsContact C-N 3.26Å; E173-N175 PolarHBondContact O-N 3.02Å; E173-L176 PolarHBondContact O-N 3.29Å; E173-R177 VanDerWaalsContact O-CB 3.3Å; E173-R177 WeakPolarHBondContact O-CB 3.47Å; E173-R177 PolarHBondContact O-N 3.12Å; E173-R177 IonicContact OE1-CZ 3.9Å; E173-R177 IonicContact OE1-NE 2.72Å; E173-R177 PolarHBondContact OE1-NE 2.82Å; E173-R177 IonicContact OE1-NH1 2.81Å; E173-R177 PolarHBondContact OE1-NH1 3.46Å; E173-R177 IonicContact OE1-NH2 3.83Å; E173-R177 PolarHBondContact OE1-NH2 3.29Å; E173-R177 IonicContact OE2-CZ 3.47Å; E173-R177 IonicContact OE2-NH1 2.67Å; E173-R177 PolarHBondContact OE2-NH1 2.86Å; E173-R177 IonicContact OE2-NH2 3.98Å |
| 174 | P | 84.5 | Confident | 84.7 | Confident | 44 Ų | 44 | 55.3 Ų | 55.3 | 29% | 0.286 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.1 | -33.1 | -177.9 | 24.1 | -35.5 | 0 | 0 | 0 | 113 | F171 S178 | F171-P174 WeakPolarHBondContact O-CD 3.23Å; P174-S178 WeakPolarHBondContact O-CB 3.37Å; P174-S178 PolarHBondContact O-N 2.95Å |
| 175 | N | 85.8 | Confident | 85 | Confident | 54 Ų | 54 | 59.1 Ų | 59.1 | 29% | 0.289 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -77.8 | -41.1 | -178.1 | -59.3 | -14.6 | 0 | 0 | 0 | 110.5 | I130 C172 E173 S178 A179 F286 | I130-N175 HydrophobicContact CD1-CB 3.93Å; C172-N175 PolarHBondContact O-N 2.7Å; E173-N175 VanDerWaalsContact C-N 3.26Å; E173-N175 PolarHBondContact O-N 3.02Å; N175-S178 WeakPolarHBondContact O-CB 3.4Å; N175-S178 PolarHBondContact O-N 3.37Å; N175-A179 PolarHBondContact O-N 3.37Å; N175-F286 HydrophobicContact CB-CZ 4.03Å; N175-F286 WeakPolarHBondContact ND2-CE1 3.48Å |
| 176 | L | 89.7 | Confident | 85.2 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65 | -39.9 | 171.7 | -176.7 | 58.4 | 0 | 0 | 0 | 111.6 | I126 I130 L133 L163 Q164 C172 E173 A179 V180 | I126-L176 HydrophobicContact CG2-CB 4.35Å; I126-L176 HydrophobicContact CG2-CD2 4.13Å; I130-L176 HydrophobicContact CD1-CB 4.23Å; I130-L176 HydrophobicContact CG1-CB 4.21Å; I130-L176 HydrophobicContact CG1-CD1 4.07Å; L133-L176 HydrophobicContact CD1-CD1 4.15Å; L163-L176 HydrophobicContact CB-CD2 4.26Å; L163-L176 HydrophobicContact CD2-CD1 4.47Å; L163-L176 HydrophobicContact CD2-CD2 4.07Å; L163-L176 HydrophobicContact CG-CD2 3.96Å; Q164-L176 HydrophobicContact CB-CD2 4.07Å; Q164-L176 HydrophobicContact CB-CG 4.19Å; C172-L176 PolarHBondContact O-N 2.89Å; E173-L176 PolarHBondContact O-N 3.29Å; L176-A179 PolarHBondContact O-N 3.16Å; L176-V180 HydrophobicContact CD1-CG2 4.05Å; L176-V180 HydrophobicContact CG-CG2 4.42Å; L176-V180 VanDerWaalsContact O-CB 3.29Å; L176-V180 WeakPolarHBondContact O-CB 3.29Å; L176-V180 VanDerWaalsContact O-CG2 3.22Å; L176-V180 WeakPolarHBondContact O-CG2 3.21Å; L176-V180 PolarHBondContact O-N 3.25Å |
| 177 | R | 90 | Very high | 85.4 | Confident | 103 Ų | 103 | 50.1 Ų | 50.1 | 39% | 0.389 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.3 | -46.6 | 171.2 | -178.8 | 175.8 | -85.6 | 128.3 | 3.1 | 111.2 | Q164 E173 V180 V181 | Q164-R177 VanDerWaalsContact NE2-CB 3.26Å; E173-R177 VanDerWaalsContact O-CB 3.3Å; E173-R177 WeakPolarHBondContact O-CB 3.47Å; E173-R177 PolarHBondContact O-N 3.12Å; E173-R177 IonicContact OE1-CZ 3.9Å; E173-R177 IonicContact OE1-NE 2.72Å; E173-R177 PolarHBondContact OE1-NE 2.82Å; E173-R177 IonicContact OE1-NH1 2.81Å; E173-R177 PolarHBondContact OE1-NH1 3.46Å; E173-R177 IonicContact OE1-NH2 3.83Å; E173-R177 PolarHBondContact OE1-NH2 3.29Å; E173-R177 IonicContact OE2-CZ 3.47Å; E173-R177 IonicContact OE2-NH1 2.67Å; E173-R177 PolarHBondContact OE2-NH1 2.86Å; E173-R177 IonicContact OE2-NH2 3.98Å; R177-V180 PolarHBondContact O-N 3.28Å; R177-V181 HydrophobicContact CG-CG2 4.26Å; R177-V181 WeakPolarHBondContact O-CB 3.49Å; R177-V181 VanDerWaalsContact O-CG2 3.23Å; R177-V181 WeakPolarHBondContact O-CG2 3.23Å; R177-V181 PolarHBondContact O-N 2.92Å |
| 178 | S | 89.9 | Confident | 85.9 | Confident | 60 Ų | 60 | 48.3 Ų | 48.3 | 42% | 0.42 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.7 | -50.9 | 179 | -171.6 | 0 | 0 | 0 | 0 | 111.5 | Y134 P174 N175 V180 V181 S182 | Y134-S178 WeakPolarHBondContact OH-CB 3.43Å; Y134-S178 PolarHBondContact OH-OG 3.4Å; P174-S178 WeakPolarHBondContact O-CB 3.37Å; P174-S178 PolarHBondContact O-N 2.95Å; N175-S178 WeakPolarHBondContact O-CB 3.4Å; N175-S178 PolarHBondContact O-N 3.37Å; S178-V180 PolarHBondContact O-N 3.37Å; S178-V181 PolarHBondContact O-N 2.9Å; S178-S182 WeakPolarHBondContact O-CB 3.38Å; S178-S182 PolarHBondContact O-N 3.25Å |
| 179 | A | 90.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.8 | -39.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I130 L133 Y134 N175 L176 F183 | I130-A179 HydrophobicContact CG1-CB 4.47Å; I130-A179 HydrophobicContact CG2-CB 4.26Å; L133-A179 HydrophobicContact CB-CB 3.9Å; L133-A179 HydrophobicContact CD1-CB 3.91Å; Y134-A179 HydrophobicContact CD2-CB 4.15Å; Y134-A179 HydrophobicContact CE1-CB 4.43Å; Y134-A179 HydrophobicContact CE2-CB 3.77Å; N175-A179 PolarHBondContact O-N 3.37Å; L176-A179 PolarHBondContact O-N 3.16Å; A179-F183 WeakPolarHBondContact O-CB 3.23Å; A179-F183 PolarHBondContact O-N 2.97Å |
| 180 | V | 91.9 | Very high | 87 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.2 | -38.5 | 177.2 | 168.2 | 0 | 0 | 0 | 0 | 112.2 | L133 L176 R177 S178 F184 M223 | L133-V180 HydrophobicContact CD1-CG2 3.65Å; L176-V180 HydrophobicContact CD1-CG2 4.05Å; L176-V180 HydrophobicContact CG-CG2 4.42Å; L176-V180 VanDerWaalsContact O-CB 3.29Å; L176-V180 WeakPolarHBondContact O-CB 3.29Å; L176-V180 VanDerWaalsContact O-CG2 3.22Å; L176-V180 WeakPolarHBondContact O-CG2 3.21Å; L176-V180 PolarHBondContact O-N 3.25Å; R177-V180 PolarHBondContact O-N 3.28Å; S178-V180 PolarHBondContact O-N 3.37Å; V180-F184 VanDerWaalsContact O-CB 3.31Å; V180-F184 WeakPolarHBondContact O-CB 3.43Å; V180-F184 PolarHBondContact O-N 2.81Å; V180-F184 VanDerWaalsContact O-N 3.07Å; V180-M223 HydrophobicContact CG1-CE 3.5Å; V180-M223 VanDerWaalsContact CG1-CE 3.5Å; V180-M223 HydrophobicContact CG1-SD 3.74Å |
| 181 | V | 92.2 | Very high | 87.6 | Confident | 27 Ų | 27 | 35.4 Ų | 35.4 | 16% | 0.164 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.7 | -44.9 | 174 | 169 | 0 | 0 | 0 | 0 | 111 | R177 S178 F184 Q185 M223 | R177-V181 HydrophobicContact CG-CG2 4.26Å; R177-V181 WeakPolarHBondContact O-CB 3.49Å; R177-V181 VanDerWaalsContact O-CG2 3.23Å; R177-V181 WeakPolarHBondContact O-CG2 3.23Å; R177-V181 PolarHBondContact O-N 2.92Å; S178-V181 PolarHBondContact O-N 2.9Å; V181-F184 WeakPolarHBondContact O-CB 3.46Å; V181-F184 PolarHBondContact O-N 2.84Å; V181-Q185 HydrophobicContact CG1-CG 4.45Å; V181-Q185 WeakPolarHBondContact O-CG 3.39Å; V181-Q185 PolarHBondContact O-N 3.29Å; V181-M223 HydrophobicContact CG2-CG 3.97Å |
| 182 | S | 90.6 | Very high | 88.5 | Confident | 30 Ų | 30 | 27 Ų | 27 | 21% | 0.21 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.9 | -51.2 | 175.5 | 167.9 | 0 | 0 | 0 | 0 | 111.6 | S137 S178 F184 Q185 S186 | S137-S182 WeakPolarHBondContact CB-OG 3.49Å; S137-S182 PolarHBondContact OG-OG 2.92Å; S178-S182 WeakPolarHBondContact O-CB 3.38Å; S178-S182 PolarHBondContact O-N 3.25Å; S182-F184 VanDerWaalsContact C-N 3.29Å; S182-F184 PolarHBondContact O-N 2.91Å; S182-Q185 WeakPolarHBondContact O-CB 3.33Å; S182-Q185 PolarHBondContact O-N 3.25Å; S182-Q185 VanDerWaalsContact O-N 3.1Å; S182-S186 PolarHBondContact O-N 3.46Å; S182-S186 PolarHBondContact O-OG 3.2Å |
| 183 | F | 92.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.9 | -33.9 | -180 | -179.5 | -125.9 | 0 | 0 | 0 | 112.4 | L133 L136 S137 L140 L153 I156 L157 A179 L187 | L133-F183 HydrophobicContact CD2-CB 3.79Å; L133-F183 HydrophobicContact CD2-CD1 3.37Å; L133-F183 HydrophobicContact CD2-CE1 4.08Å; L133-F183 HydrophobicContact CD2-CG 3.7Å; L136-F183 HydrophobicContact CB-CD2 3.82Å; L136-F183 HydrophobicContact CB-CE2 3.54Å; L136-F183 HydrophobicContact CB-CZ 4.3Å; L136-F183 HydrophobicContact CD1-CE2 4.17Å; L136-F183 HydrophobicContact CD1-CZ 4.1Å; L136-F183 HydrophobicContact CG-CE2 4.47Å; S137-F183 WeakPolarHBondContact OG-CA 3.33Å; S137-F183 PolarHBondContact OG-N 3.5Å; S137-F183 VanDerWaalsContact OG-N 3.14Å; L140-F183 HydrophobicContact CD1-CE2 4.11Å; L140-F183 HydrophobicContact CD2-CE2 4.3Å; L153-F183 HydrophobicContact CB-CZ 4.09Å; L153-F183 HydrophobicContact CD2-CE2 4.28Å; L153-F183 HydrophobicContact CD2-CZ 4.03Å; I156-F183 HydrophobicContact CB-CE1 4.45Å; I156-F183 HydrophobicContact CG2-CE1 4.19Å; L157-F183 HydrophobicContact CB-CD1 4.23Å; L157-F183 HydrophobicContact CB-CE1 3.91Å; L157-F183 HydrophobicContact CD1-CD1 3.98Å; L157-F183 HydrophobicContact CD1-CE1 4.49Å; A179-F183 WeakPolarHBondContact O-CB 3.23Å; A179-F183 PolarHBondContact O-N 2.97Å; F183-L187 HydrophobicContact CD1-CD1 4.04Å; F183-L187 HydrophobicContact CD2-CD1 4.41Å; F183-L187 HydrophobicContact CE1-CD1 3.63Å; F183-L187 HydrophobicContact CE2-CD1 3.99Å; F183-L187 HydrophobicContact CE2-CG 4.12Å; F183-L187 HydrophobicContact CG-CD1 4.43Å; F183-L187 HydrophobicContact CZ-CD1 3.6Å; F183-L187 HydrophobicContact CZ-CG 4.19Å; F183-L187 WeakPolarHBondContact O-CB 3.24Å; F183-L187 WeakPolarHBondContact O-CG 3.45Å; F183-L187 PolarHBondContact O-N 2.87Å |
| 184 | F | 92.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.7 | -39.7 | 171.6 | 177.3 | -106.8 | 0 | 0 | 0 | 112.9 | L157 V180 V181 S182 L187 Y188 L195 L199 M223 L224 V227 | L157-F184 HydrophobicContact CD1-CB 4.04Å; L157-F184 HydrophobicContact CD1-CD2 4.47Å; L157-F184 HydrophobicContact CD2-CD2 3.99Å; V180-F184 VanDerWaalsContact O-CB 3.31Å; V180-F184 WeakPolarHBondContact O-CB 3.43Å; V180-F184 PolarHBondContact O-N 2.81Å; V180-F184 VanDerWaalsContact O-N 3.07Å; V181-F184 WeakPolarHBondContact O-CB 3.46Å; V181-F184 PolarHBondContact O-N 2.84Å; S182-F184 VanDerWaalsContact C-N 3.29Å; S182-F184 PolarHBondContact O-N 2.91Å; F184-L187 PolarHBondContact O-N 3.07Å; F184-Y188 HydrophobicContact CZ-CD2 4.3Å; F184-Y188 VanDerWaalsContact O-CB 3.26Å; F184-Y188 WeakPolarHBondContact O-CB 3.4Å; F184-Y188 PolarHBondContact O-N 3.42Å; F184-L195 HydrophobicContact CD2-CD2 3.89Å; F184-L195 HydrophobicContact CE2-CD2 3.61Å; F184-L195 HydrophobicContact CE2-CG 4.37Å; F184-L195 HydrophobicContact CZ-CD2 4.47Å; F184-L199 HydrophobicContact CE2-CD1 4.04Å; F184-M223 HydrophobicContact CB-CE 3.35Å; F184-M223 HydrophobicContact CD1-CB 3.91Å; F184-M223 HydrophobicContact CD1-CE 4.18Å; F184-M223 HydrophobicContact CD2-CE 4.01Å; F184-M223 HydrophobicContact CE1-CB 4.09Å; F184-M223 WeakPolarHBondContact CE1-O 3.38Å; F184-M223 HydrophobicContact CG-CB 4.39Å; F184-M223 HydrophobicContact CG-CE 3.58Å; F184-L224 HydrophobicContact CZ-CD2 3.82Å; F184-L224 HydrophobicContact CZ-CG 4.19Å; F184-V227 HydrophobicContact CD1-CG2 4.06Å; F184-V227 HydrophobicContact CE1-CG2 3.68Å |
| 185 | Q | 91.6 | Very high | 89.9 | Confident | 84 Ų | 84 | 23.4 Ų | 23.4 | 39% | 0.393 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -64.9 | -46.1 | 176.2 | -77.3 | 169.1 | -36.9 | 0 | 0 | 111.2 | V181 S182 L187 Y188 G189 T226 V227 | V181-Q185 HydrophobicContact CG1-CG 4.45Å; V181-Q185 WeakPolarHBondContact O-CG 3.39Å; V181-Q185 PolarHBondContact O-N 3.29Å; S182-Q185 WeakPolarHBondContact O-CB 3.33Å; S182-Q185 PolarHBondContact O-N 3.25Å; S182-Q185 VanDerWaalsContact O-N 3.1Å; Q185-L187 PolarHBondContact O-N 2.8Å; Q185-Y188 PolarHBondContact O-N 2.79Å; Q185-G189 PolarHBondContact O-N 3.46Å; Q185-T226 PolarHBondContact NE2-O 2.97Å; Q185-V227 HydrophobicContact CG-CG2 3.96Å |
| 186 | S | 89.1 | Confident | 90.1 | Very high | 25 Ų | 25 | 23.7 Ų | 23.7 | 18% | 0.175 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.1 | -42.8 | 172.7 | -60.9 | 0 | 0 | 0 | 0 | 112.2 | S137 S182 L190 | S137-S186 PolarHBondContact O-OG 2.68Å; S182-S186 PolarHBondContact O-N 3.46Å; S182-S186 PolarHBondContact O-OG 3.2Å; S186-L190 WeakPolarHBondContact O-CG 3.41Å; S186-L190 PolarHBondContact O-N 3.46Å |
| 187 | L | 89.9 | Confident | 90 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.4 | -38 | 176.2 | -86.4 | 170 | 0 | 0 | 0 | 113.1 | L140 F150 L153 L157 F183 F184 Q185 Y191 L195 | L140-L187 HydrophobicContact CD2-CB 4.4Å; L140-L187 HydrophobicContact CD2-CD2 3.7Å; L140-L187 HydrophobicContact CD2-CG 3.72Å; F150-L187 HydrophobicContact CE2-CD2 4.34Å; L153-L187 HydrophobicContact CB-CD2 4.16Å; L157-L187 HydrophobicContact CB-CD1 4.2Å; L157-L187 HydrophobicContact CD2-CD1 4.07Å; F183-L187 HydrophobicContact CD1-CD1 4.04Å; F183-L187 HydrophobicContact CD2-CD1 4.41Å; F183-L187 HydrophobicContact CE1-CD1 3.63Å; F183-L187 HydrophobicContact CE2-CD1 3.99Å; F183-L187 HydrophobicContact CE2-CG 4.12Å; F183-L187 HydrophobicContact CG-CD1 4.43Å; F183-L187 HydrophobicContact CZ-CD1 3.6Å; F183-L187 HydrophobicContact CZ-CG 4.19Å; F183-L187 WeakPolarHBondContact O-CB 3.24Å; F183-L187 WeakPolarHBondContact O-CG 3.45Å; F183-L187 PolarHBondContact O-N 2.87Å; F184-L187 PolarHBondContact O-N 3.07Å; Q185-L187 PolarHBondContact O-N 2.8Å; L187-Y191 HydrophobicContact CD2-CD2 4.49Å; L187-Y191 CarbonylContact O-C 3.56Å; L187-Y191 WeakPolarHBondContact O-CA 3.43Å; L187-Y191 PolarHBondContact O-N 2.87Å; L187-L195 HydrophobicContact CB-CD1 4.42Å; L187-L195 HydrophobicContact CB-CD2 3.9Å; L187-L195 HydrophobicContact CD1-CD1 4.44Å |
| 188 | Y | 91.4 | Very high | 90 | Very high | 15 Ų | 15 | 20.3 Ų | 20.3 | 6% | 0.059 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -78.9 | -35 | -177.5 | -176.5 | -84.5 | 0 | 0 | 0 | 112.6 | F184 Q185 L190 P192 L195 L196 V227 T228 H230 L233 | F184-Y188 HydrophobicContact CZ-CD2 4.3Å; F184-Y188 VanDerWaalsContact O-CB 3.26Å; F184-Y188 WeakPolarHBondContact O-CB 3.4Å; F184-Y188 PolarHBondContact O-N 3.42Å; Q185-Y188 PolarHBondContact O-N 2.79Å; Y188-L190 VanDerWaalsContact C-N 3.34Å; Y188-P192 HydrophobicContact CD2-CB 4.4Å; Y188-P192 HydrophobicContact CE2-CB 4.33Å; Y188-P192 VanDerWaalsContact O-CB 3.27Å; Y188-P192 WeakPolarHBondContact O-CB 3.39Å; Y188-P192 VanDerWaalsContact O-CD 3.24Å; Y188-P192 WeakPolarHBondContact O-CD 3.43Å; Y188-L195 HydrophobicContact CD2-CD2 4.3Å; Y188-L196 HydrophobicContact CE2-CD1 4.15Å; Y188-L196 HydrophobicContact CE2-CD2 4.26Å; Y188-L196 HydrophobicContact CE2-CG 4.17Å; Y188-V227 HydrophobicContact CD1-CB 4.2Å; Y188-V227 HydrophobicContact CD1-CG1 3.36Å; Y188-V227 HydrophobicContact CE1-CB 4.24Å; Y188-V227 HydrophobicContact CE1-CG1 3.55Å; Y188-V227 HydrophobicContact CG-CG1 4.17Å; Y188-T228 VanDerWaalsContact CE1-O 3.23Å; Y188-T228 WeakPolarHBondContact CE1-O 3.45Å; Y188-T228 PolarHBondContact OH-O 2.96Å; Y188-H230 HydrophobicContact CD1-CB 4.5Å; Y188-H230 HydrophobicContact CE1-CB 3.73Å; Y188-H230 PolarHBondContact OH-N 3.38Å; Y188-L233 WeakPolarHBondContact OH-CD1 3.44Å |
| 189 | G | 87.2 | Confident | 90 | Very high | 29 Ų | 29 | 18 Ų | 18 | 30% | 0.299 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -65.8 | -37.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q185 H230 | Q185-G189 PolarHBondContact O-N 3.46Å; G189-H230 PolarHBondContact O-CE1 3.12Å; G189-H230 PolarHBondContact O-NE2 3.34Å |
| 190 | L | 85.2 | Confident | 89.9 | Confident | 26 Ų | 26 | 26.9 Ų | 26.9 | 14% | 0.136 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -85.6 | -44.4 | -179.6 | -59.7 | 174.7 | 0 | 0 | 0 | 113 | L140 S186 Y188 P192 R246 W247 | L140-L190 VanDerWaalsContact C-CD1 3.45Å; L140-L190 HydrophobicContact CB-CD1 3.68Å; L140-L190 HydrophobicContact CD2-CD1 4.22Å; L140-L190 HydrophobicContact CG-CD1 4.09Å; L140-L190 WeakPolarHBondContact O-CD1 3.22Å; S186-L190 WeakPolarHBondContact O-CG 3.41Å; S186-L190 PolarHBondContact O-N 3.46Å; Y188-L190 VanDerWaalsContact C-N 3.34Å; L190-P192 VanDerWaalsContact C-CD 3.49Å; L190-R246 PolarHBondContact O-NH1 3.15Å; L190-W247 HydrophobicContact CB-CH2 3.88Å; L190-W247 HydrophobicContact CD2-CH2 3.58Å; L190-W247 HydrophobicContact CD2-CZ3 3.56Å; L190-W247 HydrophobicContact CG-CH2 4.3Å |
| 191 | Y | 88.2 | Confident | 89.6 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | trans | -130.4 | 53.7 | -168.9 | -55.7 | -68.8 | 0 | 0 | 0 | 113.8 | T147 F150 L187 S193 L195 E241 W247 | T147-Y191 HydrophobicContact CG2-CE1 3.8Å; T147-Y191 WeakPolarHBondContact CG2-OH 3.39Å; F150-Y191 HydrophobicContact CD2-CD2 4.01Å; F150-Y191 AromaticContact CD2-CG 3.96Å; F150-Y191 HydrophobicContact CD2-CG 3.96Å; F150-Y191 HydrophobicContact CE2-CD2 4.19Å; F150-Y191 AromaticContact CE2-CG 3.93Å; F150-Y191 HydrophobicContact CE2-CG 3.93Å; L187-Y191 HydrophobicContact CD2-CD2 4.49Å; L187-Y191 CarbonylContact O-C 3.56Å; L187-Y191 WeakPolarHBondContact O-CA 3.43Å; L187-Y191 PolarHBondContact O-N 2.87Å; Y191-S193 PolarHBondContact O-N 3.01Å; Y191-L195 WeakPolarHBondContact O-CB 3.48Å; Y191-L195 PolarHBondContact O-N 2.97Å; Y191-E241 VanDerWaalsContact CA-OE1 3.28Å; Y191-E241 WeakPolarHBondContact CA-OE1 3.47Å; Y191-E241 HydrophobicContact CD1-CG 4.21Å; Y191-W247 HydrophobicContact CD1-CZ2 4.4Å; Y191-W247 AromaticContact CE1-CZ2 3.72Å; Y191-W247 HydrophobicContact CE1-CZ2 3.72Å | ||
| 192 | P | 90 | Very high | 89.2 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.6 | -41.8 | -171.8 | 26 | -35.1 | 0 | 0 | 0 | 113.4 | Y188 L190 L196 H230 V232 L233 E241 | Y188-P192 HydrophobicContact CD2-CB 4.4Å; Y188-P192 HydrophobicContact CE2-CB 4.33Å; Y188-P192 VanDerWaalsContact O-CB 3.27Å; Y188-P192 WeakPolarHBondContact O-CB 3.39Å; Y188-P192 VanDerWaalsContact O-CD 3.24Å; Y188-P192 WeakPolarHBondContact O-CD 3.43Å; L190-P192 VanDerWaalsContact C-CD 3.49Å; P192-L196 WeakPolarHBondContact O-CB 3.45Å; P192-L196 VanDerWaalsContact O-CG 3.32Å; P192-L196 WeakPolarHBondContact O-CG 3.32Å; P192-L196 PolarHBondContact O-N 3.22Å; P192-H230 HydrophobicContact CB-CB 3.86Å; P192-H230 HydrophobicContact CG-CB 3.99Å; P192-V232 HydrophobicContact CG-CB 4.07Å; P192-V232 HydrophobicContact CG-CG1 4.18Å; P192-L233 HydrophobicContact CB-CD1 4.25Å; P192-L233 HydrophobicContact CB-CD2 3.91Å; P192-L233 HydrophobicContact CB-CG 3.92Å; P192-L233 HydrophobicContact CG-CD2 4.46Å; P192-L233 HydrophobicContact CG-CG 4.36Å; P192-E241 WeakPolarHBondContact CD-OE2 3.23Å; P192-E241 WeakPolarHBondContact CG-OE2 3.44Å |
| 193 | S | 87.4 | Confident | 88.8 | Confident | 11 Ų | 11 | 32.3 Ų | 32.3 | 8% | 0.077 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -74.1 | -39.9 | -173.1 | -41.8 | 0 | 0 | 0 | 0 | 111.8 | Y191 G197 E241 | Y191-S193 PolarHBondContact O-N 3.01Å; S193-G197 PolarHBondContact O-N 3.5Å; S193-E241 WeakPolarHBondContact CA-OE2 3.26Å; S193-E241 WeakPolarHBondContact CB-OE2 3.49Å; S193-E241 PolarHBondContact N-OE1 2.96Å; S193-E241 PolarHBondContact N-OE2 2.92Å; S193-E241 PolarHBondContact OG-OE2 3.36Å |
| 194 | N | 90.3 | Very high | 88.1 | Confident | 25 Ų | 25 | 39 Ų | 39 | 13% | 0.134 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -74.5 | -36.6 | 174.5 | -72.8 | -69.1 | 0 | 0 | 0 | 111.6 | F150 G197 F198 K238 E241 | F150-N194 HydrophobicContact CD1-CB 4.44Å; F150-N194 HydrophobicContact CE1-CB 3.65Å; F150-N194 HydrophobicContact CE2-CB 4.2Å; F150-N194 HydrophobicContact CZ-CB 3.51Å; N194-G197 PolarHBondContact O-N 3.23Å; N194-F198 WeakPolarHBondContact O-CB 3.36Å; N194-F198 PolarHBondContact O-N 3.24Å; N194-K238 PolarHBondContact ND2-O 3.15Å; N194-E241 VanDerWaalsContact CB-OE1 3.32Å; N194-E241 WeakPolarHBondContact CB-OE1 3.34Å; N194-E241 PolarHBondContact N-OE1 3.35Å; N194-E241 PolarHBondContact ND2-OE1 3.49Å |
| 195 | L | 91.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.3 | -49.3 | 176.8 | -176.6 | 66.4 | 0 | 0 | 0 | 111.6 | F150 L157 F184 L187 Y188 Y191 G197 F198 L199 | F150-L195 HydrophobicContact CZ-CB 4.45Å; L157-L195 HydrophobicContact CD2-CD1 3.84Å; F184-L195 HydrophobicContact CD2-CD2 3.89Å; F184-L195 HydrophobicContact CE2-CD2 3.61Å; F184-L195 HydrophobicContact CE2-CG 4.37Å; F184-L195 HydrophobicContact CZ-CD2 4.47Å; L187-L195 HydrophobicContact CB-CD1 4.42Å; L187-L195 HydrophobicContact CB-CD2 3.9Å; L187-L195 HydrophobicContact CD1-CD1 4.44Å; Y188-L195 HydrophobicContact CD2-CD2 4.3Å; Y191-L195 WeakPolarHBondContact O-CB 3.48Å; Y191-L195 PolarHBondContact O-N 2.97Å; L195-G197 VanDerWaalsContact C-N 3.26Å; L195-G197 PolarHBondContact O-N 3.24Å; L195-F198 PolarHBondContact O-N 2.89Å; L195-L199 HydrophobicContact CD1-CD1 4.36Å; L195-L199 HydrophobicContact CG-CD1 4.03Å; L195-L199 WeakPolarHBondContact O-CB 3.27Å; L195-L199 VanDerWaalsContact O-CG 3.26Å; L195-L199 WeakPolarHBondContact O-CG 3.47Å; L195-L199 PolarHBondContact O-N 2.96Å |
| 196 | L | 90.1 | Very high | 85.3 | Confident | 60 Ų | 60 | 43.8 Ų | 43.8 | 31% | 0.314 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.9 | -33.9 | 173.9 | -68.6 | -176.3 | 0 | 0 | 0 | 111.7 | Y188 P192 L199 R200 L224 L233 | Y188-L196 HydrophobicContact CE2-CD1 4.15Å; Y188-L196 HydrophobicContact CE2-CD2 4.26Å; Y188-L196 HydrophobicContact CE2-CG 4.17Å; P192-L196 WeakPolarHBondContact O-CB 3.45Å; P192-L196 VanDerWaalsContact O-CG 3.32Å; P192-L196 WeakPolarHBondContact O-CG 3.32Å; P192-L196 PolarHBondContact O-N 3.22Å; L196-L199 HydrophobicContact CD2-CD1 4.49Å; L196-R200 VanDerWaalsContact O-CB 3.28Å; L196-R200 WeakPolarHBondContact O-CB 3.48Å; L196-R200 PolarHBondContact O-N 3.2Å; L196-L224 HydrophobicContact CD2-CD2 3.85Å; L196-L233 HydrophobicContact CD1-CD1 3.81Å; L196-L233 HydrophobicContact CD1-CD2 3.89Å |
| 197 | G | 88.5 | Confident | 84.1 | Confident | 13 Ų | 13 | 47.6 Ų | 47.6 | 13% | 0.134 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.8 | -50.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S193 N194 L195 R200 T201 | S193-G197 PolarHBondContact O-N 3.5Å; N194-G197 PolarHBondContact O-N 3.23Å; L195-G197 VanDerWaalsContact C-N 3.26Å; L195-G197 PolarHBondContact O-N 3.24Å; G197-R200 PolarHBondContact O-N 3.47Å; G197-T201 PolarHBondContact O-N 2.95Å; G197-T201 VanDerWaalsContact O-N 3.13Å |
| 198 | F | 89.8 | Confident | 83 | Confident | 19 Ų | 19 | 50.2 Ų | 50.2 | 8% | 0.083 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.1 | -46.3 | 177.4 | 177.1 | -90.1 | 0 | 0 | 0 | 112 | C154 Q155 L158 N194 L195 R200 T201 Q202 | C154-F198 HydrophobicContact CB-CD1 3.58Å; C154-F198 HydrophobicContact CB-CD2 4.07Å; C154-F198 HydrophobicContact CB-CE1 3.49Å; C154-F198 VanDerWaalsContact CB-CE1 3.49Å; C154-F198 HydrophobicContact CB-CE2 4.01Å; C154-F198 HydrophobicContact CB-CG 3.86Å; C154-F198 HydrophobicContact CB-CZ 3.73Å; C154-F198 WeakPolarHBondContact O-CE1 3.48Å; Q155-F198 HydrophobicContact CG-CZ 4.2Å; L158-F198 HydrophobicContact CD1-CE1 3.52Å; L158-F198 HydrophobicContact CD1-CZ 3.79Å; L158-F198 HydrophobicContact CG-CE1 3.96Å; N194-F198 WeakPolarHBondContact O-CB 3.36Å; N194-F198 PolarHBondContact O-N 3.24Å; L195-F198 PolarHBondContact O-N 2.89Å; F198-R200 VanDerWaalsContact C-N 3.26Å; F198-R200 PolarHBondContact O-N 3.2Å; F198-T201 PolarHBondContact O-N 3.45Å; F198-T201 VanDerWaalsContact O-N 3.16Å; F198-T201 PolarHBondContact O-OG1 3.04Å; F198-Q202 HydrophobicContact CD1-CG 4.02Å; F198-Q202 HydrophobicContact CD2-CG 4.5Å; F198-Q202 HydrophobicContact CE1-CG 3.71Å; F198-Q202 HydrophobicContact CE2-CG 4.21Å; F198-Q202 HydrophobicContact CG-CG 4.41Å; F198-Q202 HydrophobicContact CZ-CG 3.81Å; F198-Q202 WeakPolarHBondContact O-CG 3.49Å; F198-Q202 PolarHBondContact O-N 2.86Å |
| 199 | L | 89.4 | Confident | 81.8 | Confident | 10 Ų | 10 | 52.2 Ų | 52.2 | 5% | 0.052 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61 | -37.5 | 177 | -67.7 | 170.1 | 0 | 0 | 0 | 111.2 | F184 L195 L196 Q202 F203 V220 | F184-L199 HydrophobicContact CE2-CD1 4.04Å; L195-L199 HydrophobicContact CD1-CD1 4.36Å; L195-L199 HydrophobicContact CG-CD1 4.03Å; L195-L199 WeakPolarHBondContact O-CB 3.27Å; L195-L199 VanDerWaalsContact O-CG 3.26Å; L195-L199 WeakPolarHBondContact O-CG 3.47Å; L195-L199 PolarHBondContact O-N 2.96Å; L196-L199 HydrophobicContact CD2-CD1 4.49Å; L199-Q202 PolarHBondContact O-N 3.26Å; L199-F203 HydrophobicContact CB-CD2 4.44Å; L199-F203 HydrophobicContact CD2-CD2 4.25Å; L199-F203 HydrophobicContact CD2-CE2 3.8Å; L199-F203 WeakPolarHBondContact O-CD2 3.32Å; L199-F203 PolarHBondContact O-N 2.99Å; L199-V220 HydrophobicContact CD1-CG1 4.48Å; L199-V220 HydrophobicContact CD2-CG1 4.25Å |
| 200 | R | 87.8 | Confident | 81.2 | Confident | 187 Ų | 187 | 55.9 Ų | 55.9 | 71% | 0.706 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -63.4 | -42.6 | 174.5 | -171.6 | 171.3 | 178.9 | 156.7 | -1 | 112.3 | L196 G197 F198 Q202 F204 | L196-R200 VanDerWaalsContact O-CB 3.28Å; L196-R200 WeakPolarHBondContact O-CB 3.48Å; L196-R200 PolarHBondContact O-N 3.2Å; G197-R200 PolarHBondContact O-N 3.47Å; F198-R200 VanDerWaalsContact C-N 3.26Å; F198-R200 PolarHBondContact O-N 3.2Å; R200-Q202 VanDerWaalsContact C-N 3.31Å; R200-Q202 PolarHBondContact O-N 2.87Å; R200-F204 HydrophobicContact CG-CB 4.37Å; R200-F204 HydrophobicContact CG-CD2 4.38Å; R200-F204 WeakPolarHBondContact O-CA 3.35Å; R200-F204 WeakPolarHBondContact O-CB 3.39Å; R200-F204 PolarHBondContact O-N 2.68Å |
| 201 | T | 86.4 | Confident | 80.8 | Confident | 92 Ų | 92 | 57.5 Ų | 57.5 | 56% | 0.564 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -68.4 | -30 | 176.7 | 60.3 | 0 | 0 | 0 | 0 | 112.9 | G197 F198 A205 | G197-T201 PolarHBondContact O-N 2.95Å; G197-T201 VanDerWaalsContact O-N 3.13Å; F198-T201 PolarHBondContact O-N 3.45Å; F198-T201 VanDerWaalsContact O-N 3.16Å; F198-T201 PolarHBondContact O-OG1 3.04Å; T201-A205 WeakPolarHBondContact O-CB 3.42Å |
| 202 | Q | 83.4 | Confident | 80.5 | Confident | 69 Ų | 69 | 59.6 Ų | 59.6 | 32% | 0.322 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -83 | -29.1 | -177.9 | -64.8 | -75.8 | -23.1 | 0 | 0 | 113.8 | L158 F198 L199 R200 | L158-Q202 HydrophobicContact CD1-CB 4.15Å; L158-Q202 HydrophobicContact CD1-CG 3.81Å; F198-Q202 HydrophobicContact CD1-CG 4.02Å; F198-Q202 HydrophobicContact CD2-CG 4.5Å; F198-Q202 HydrophobicContact CE1-CG 3.71Å; F198-Q202 HydrophobicContact CE2-CG 4.21Å; F198-Q202 HydrophobicContact CG-CG 4.41Å; F198-Q202 HydrophobicContact CZ-CG 3.81Å; F198-Q202 WeakPolarHBondContact O-CG 3.49Å; F198-Q202 PolarHBondContact O-N 2.86Å; L199-Q202 PolarHBondContact O-N 3.26Å; R200-Q202 VanDerWaalsContact C-N 3.31Å; R200-Q202 PolarHBondContact O-N 2.87Å |
| 203 | F | 83.5 | Confident | 80.2 | Confident | 11 Ų | 11 | 62.9 Ų | 62.9 | 5% | 0.048 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -112.7 | -11.5 | -175.8 | -66 | -68.4 | 0 | 0 | 0 | 115.3 | L158 L199 V208 H212 L215 F216 V220 | L158-F203 HydrophobicContact CD2-CE2 3.8Å; L158-F203 HydrophobicContact CD2-CZ 3.69Å; L199-F203 HydrophobicContact CB-CD2 4.44Å; L199-F203 HydrophobicContact CD2-CD2 4.25Å; L199-F203 HydrophobicContact CD2-CE2 3.8Å; L199-F203 WeakPolarHBondContact O-CD2 3.32Å; L199-F203 PolarHBondContact O-N 2.99Å; F203-V208 WeakPolarHBondContact O-CG2 3.43Å; F203-H212 HydrophobicContact CD1-CB 4.14Å; F203-H212 WeakPolarHBondContact CD1-O 3.42Å; F203-H212 HydrophobicContact CE1-CB 4.24Å; F203-H212 VanDerWaalsContact CE1-O 3.3Å; F203-H212 WeakPolarHBondContact CE1-O 3.37Å; F203-L215 HydrophobicContact CE1-CB 4.32Å; F203-L215 HydrophobicContact CE1-CD2 4.02Å; F203-L215 HydrophobicContact CE1-CG 4.23Å; F203-L215 HydrophobicContact CZ-CD2 3.95Å; F203-L215 HydrophobicContact CZ-CG 4.23Å; F203-F216 HydrophobicContact CB-CD2 4.1Å; F203-F216 HydrophobicContact CD1-CB 3.73Å; F203-F216 HydrophobicContact CD1-CD2 4.22Å; F203-F216 HydrophobicContact CD1-CG 4.37Å; F203-F216 AromaticContact CD2-CD2 3.97Å; F203-F216 HydrophobicContact CD2-CD2 3.97Å; F203-F216 HydrophobicContact CE1-CB 3.98Å; F203-F216 HydrophobicContact CE2-CD2 4.47Å; F203-F216 HydrophobicContact CG-CB 4.21Å; F203-F216 AromaticContact CG-CD2 3.83Å; F203-F216 HydrophobicContact CG-CD2 3.83Å; F203-F216 HydrophobicContact CG-CG 4.37Å; F203-V220 HydrophobicContact CE2-CG1 4.36Å; F203-V220 HydrophobicContact CE2-CG2 3.9Å; F203-V220 HydrophobicContact CZ-CG2 3.75Å |
| 204 | F | 76.2 | Confident | 80 | Confident | 140 Ų | 140 | 64 Ų | 64 | 61% | 0.614 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -126.1 | 19.9 | -180 | -62.4 | -97.5 | 0 | 0 | 0 | 113.7 | R200 F216 | R200-F204 HydrophobicContact CG-CB 4.37Å; R200-F204 HydrophobicContact CG-CD2 4.38Å; R200-F204 WeakPolarHBondContact O-CA 3.35Å; R200-F204 WeakPolarHBondContact O-CB 3.39Å; R200-F204 PolarHBondContact O-N 2.68Å; F204-F216 HydrophobicContact CZ-CZ 4.5Å |
| 205 | A | 67.5 | Low | 79.9 | Confident | 38 Ų | 38 | 62.8 Ų | 62.8 | 31% | 0.314 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -66.3 | 153.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | T201 S207 V208 | T201-A205 WeakPolarHBondContact O-CB 3.42Å; A205-S207 PolarHBondContact O-N 3.25Å; A205-V208 WeakPolarHBondContact O-CG2 3.4Å; A205-V208 PolarHBondContact O-N 3.48Å |
| 206 | P | 60.1 | Low | 79.7 | Confident | 147 Ų | 147 | 64.7 Ų | 64.7 | 96% | 0.955 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -9.1 | -175.8 | -26.6 | 36 | 0 | 0 | 0 | 116.8 | ||
| 207 | S | 62.6 | Low | 79.5 | Confident | 105 Ų | 105 | 65.1 Ų | 65.1 | 73% | 0.734 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.3 | 41.4 | -175.4 | 56.9 | 0 | 0 | 0 | 0 | 113.2 | A205 S209 | A205-S207 PolarHBondContact O-N 3.25Å; S207-S209 PolarHBondContact O-N 3.31Å |
| 208 | V | 66.2 | Low | 79.4 | Confident | 55 Ų | 55 | 69.9 Ų | 69.9 | 33% | 0.333 | 40% | 0.395 | S | S | . | . | trans | -59.3 | 107.6 | 179.7 | -162.5 | 0 | 0 | 0 | 0 | 111.1 | F203 A205 H212 T213 | F203-V208 WeakPolarHBondContact O-CG2 3.43Å; A205-V208 WeakPolarHBondContact O-CG2 3.4Å; A205-V208 PolarHBondContact O-N 3.48Å; V208-H212 HydrophobicContact CG1-CB 3.82Å; V208-T213 WeakPolarHBondContact CG1-OG1 3.32Å | ||
| 209 | S | 67.1 | Low | 79.3 | Confident | 58 Ų | 58 | 69.2 Ų | 69.2 | 41% | 0.406 | 39% | 0.393 | S | S | . | . | trans | -61 | 139.7 | 168 | 166.8 | 0 | 0 | 0 | 0 | 110 | S207 A211 H212 T213 | S207-S209 PolarHBondContact O-N 3.31Å; S209-A211 PolarHBondContact O-N 3.46Å; S209-H212 WeakPolarHBondContact O-CB 3.04Å; S209-H212 PolarHBondContact O-N 3.22Å; S209-T213 PolarHBondContact O-N 2.88Å | ||
| 210 | P | 75.4 | Confident | 79.3 | Confident | 105 Ų | 105 | 69 Ų | 69 | 68% | 0.682 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -56.6 | -25.3 | -177 | 21.7 | -34 | 0 | 0 | 0 | 113.7 | H212 T213 A214 | P210-H212 VanDerWaalsContact C-N 3.34Å; P210-H212 PolarHBondContact O-N 2.88Å; P210-T213 PolarHBondContact O-N 3.15Å; P210-A214 PolarHBondContact O-N 2.87Å |
| 211 | A | 76.8 | Confident | 79.3 | Confident | 60 Ų | 60 | 66.3 Ų | 66.3 | 50% | 0.496 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63 | -36.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S209 L215 | S209-A211 PolarHBondContact O-N 3.46Å; A211-L215 WeakPolarHBondContact O-CB 3.47Å; A211-L215 PolarHBondContact O-N 3.05Å |
| 212 | H | 80.9 | Confident | 79.3 | Confident | 47 Ų | 47 | 64.6 Ų | 64.6 | 22% | 0.218 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -72.2 | -36.5 | 174.1 | -68.3 | 104.2 | 0 | 0 | 0 | 111.3 | K162 F203 V208 S209 P210 L215 F216 | K162-H212 PolarHBondContact NZ-NE2 3.3Å; F203-H212 HydrophobicContact CD1-CB 4.14Å; F203-H212 WeakPolarHBondContact CD1-O 3.42Å; F203-H212 HydrophobicContact CE1-CB 4.24Å; F203-H212 VanDerWaalsContact CE1-O 3.3Å; F203-H212 WeakPolarHBondContact CE1-O 3.37Å; V208-H212 HydrophobicContact CG1-CB 3.82Å; S209-H212 WeakPolarHBondContact O-CB 3.04Å; S209-H212 PolarHBondContact O-N 3.22Å; P210-H212 VanDerWaalsContact C-N 3.34Å; P210-H212 PolarHBondContact O-N 2.88Å; H212-L215 PolarHBondContact O-N 2.73Å; H212-F216 WeakPolarHBondContact O-CB 3.36Å; H212-F216 PolarHBondContact O-N 2.89Å |
| 213 | T | 82.8 | Confident | 79.6 | Confident | 68 Ų | 68 | 61.6 Ų | 61.6 | 42% | 0.417 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.6 | -38.5 | 174.3 | -45.3 | 0 | 0 | 0 | 0 | 112.2 | V208 S209 P210 N217 | V208-T213 WeakPolarHBondContact CG1-OG1 3.32Å; S209-T213 PolarHBondContact O-N 2.88Å; P210-T213 PolarHBondContact O-N 3.15Å; T213-N217 PolarHBondContact O-N 3.44Å; T213-N217 PolarHBondContact O-ND2 3.48Å |
| 214 | A | 84 | Confident | 79.9 | Confident | 34 Ų | 34 | 64 Ų | 64 | 28% | 0.281 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.2 | -52.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | P210 F216 N217 E218 | P210-A214 PolarHBondContact O-N 2.87Å; A214-F216 PolarHBondContact O-N 2.83Å; A214-N217 PolarHBondContact O-N 2.99Å; A214-E218 WeakPolarHBondContact O-CB 3.49Å; A214-E218 WeakPolarHBondContact O-CG 3.46Å; A214-E218 PolarHBondContact O-N 3.4Å |
| 215 | L | 87.4 | Confident | 80.5 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -55 | -39.6 | 177.7 | 179.4 | 67.5 | 0 | 0 | 0 | 112.6 | A161 K162 Q165 F203 A211 H212 V219 V220 | A161-L215 HydrophobicContact CB-CD1 4.01Å; A161-L215 WeakPolarHBondContact O-CD1 3.48Å; K162-L215 HydrophobicContact CD-CD2 4.2Å; K162-L215 HydrophobicContact CG-CD1 4.11Å; K162-L215 HydrophobicContact CG-CD2 3.56Å; K162-L215 HydrophobicContact CG-CG 4.47Å; Q165-L215 HydrophobicContact CB-CD1 4.11Å; F203-L215 HydrophobicContact CE1-CB 4.32Å; F203-L215 HydrophobicContact CE1-CD2 4.02Å; F203-L215 HydrophobicContact CE1-CG 4.23Å; F203-L215 HydrophobicContact CZ-CD2 3.95Å; F203-L215 HydrophobicContact CZ-CG 4.23Å; A211-L215 WeakPolarHBondContact O-CB 3.47Å; A211-L215 PolarHBondContact O-N 3.05Å; H212-L215 PolarHBondContact O-N 2.73Å; L215-V219 HydrophobicContact CD1-CB 4.24Å; L215-V219 HydrophobicContact CD1-CG2 4.22Å; L215-V219 PolarHBondContact O-N 2.97Å; L215-V219 VanDerWaalsContact O-N 3.12Å; L215-V220 PolarHBondContact O-N 3.44Å |
| 216 | F | 87.6 | Confident | 81.5 | Confident | 41 Ų | 41 | 66.8 Ų | 66.8 | 18% | 0.18 | 38% | 0.381 | C | S | . | . | I | π-helix | trans | -61.9 | -49.3 | 174.9 | -176.6 | -102 | 0 | 0 | 0 | 111.6 | F203 F204 H212 A214 V220 R221 L224 | F203-F216 HydrophobicContact CB-CD2 4.1Å; F203-F216 HydrophobicContact CD1-CB 3.73Å; F203-F216 HydrophobicContact CD1-CD2 4.22Å; F203-F216 HydrophobicContact CD1-CG 4.37Å; F203-F216 AromaticContact CD2-CD2 3.97Å; F203-F216 HydrophobicContact CD2-CD2 3.97Å; F203-F216 HydrophobicContact CE1-CB 3.98Å; F203-F216 HydrophobicContact CE2-CD2 4.47Å; F203-F216 HydrophobicContact CG-CB 4.21Å; F203-F216 AromaticContact CG-CD2 3.83Å; F203-F216 HydrophobicContact CG-CD2 3.83Å; F203-F216 HydrophobicContact CG-CG 4.37Å; F204-F216 HydrophobicContact CZ-CZ 4.5Å; H212-F216 WeakPolarHBondContact O-CB 3.36Å; H212-F216 PolarHBondContact O-N 2.89Å; A214-F216 PolarHBondContact O-N 2.83Å; F216-V220 HydrophobicContact CD2-CB 4.11Å; F216-V220 HydrophobicContact CD2-CG1 4.18Å; F216-V220 HydrophobicContact CE2-CG1 4.31Å; F216-V220 PolarHBondContact O-N 3.22Å; F216-R221 HydrophobicContact CD1-CB 4.39Å; F216-R221 HydrophobicContact CE1-CB 4.17Å; F216-R221 HydrophobicContact CE1-CG 4.43Å; F216-R221 HydrophobicContact CZ-CB 4.42Å; F216-R221 WeakPolarHBondContact O-CB 3.4Å; F216-R221 PolarHBondContact O-N 3.27Å; F216-L224 HydrophobicContact CE2-CD1 4.12Å; F216-L224 HydrophobicContact CZ-CD1 4.42Å |
| 217 | N | 86.4 | Confident | 82.8 | Confident | 68 Ų | 68 | 61.9 Ų | 61.9 | 36% | 0.364 | 35% | 0.349 | S | S | . | . | I | π-helix | trans | -75.7 | -32.5 | -175.8 | -75.5 | -72.9 | 0 | 0 | 0 | 114 | T213 A214 R221 P222 | T213-N217 PolarHBondContact O-N 3.44Å; T213-N217 PolarHBondContact O-ND2 3.48Å; A214-N217 PolarHBondContact O-N 2.99Å; N217-R221 WeakPolarHBondContact OD1-CD 3.21Å; N217-R221 PolarHBondContact OD1-NH1 3.41Å; N217-P222 WeakPolarHBondContact O-CD 3.36Å |
| 218 | E | 86.4 | Confident | 84.1 | Confident | 113 Ų | 113 | 62.5 Ų | 62.5 | 53% | 0.528 | 35% | 0.348 | S | S | . | . | I | π-helix | trans | -86.8 | -29.2 | -175.1 | -67.1 | 177.8 | 153.4 | 0 | 0 | 113.8 | Q165 A214 | Q165-E218 WeakPolarHBondContact CG-OE2 3.26Å; Q165-E218 PolarHBondContact NE2-OE2 2.87Å; A214-E218 WeakPolarHBondContact O-CB 3.49Å; A214-E218 WeakPolarHBondContact O-CG 3.46Å; A214-E218 PolarHBondContact O-N 3.4Å |
| 219 | V | 87.5 | Confident | 85.1 | Confident | 6 Ų | 6 | 65.9 Ų | 65.9 | 4% | 0.036 | 36% | 0.364 | C | S | . | . | I | π-helix | trans | -124 | -61.1 | -173.6 | -179.3 | 0 | 0 | 0 | 0 | 111.7 | A161 Q165 L215 R221 P222 M223 | A161-V219 HydrophobicContact CB-CG1 3.79Å; Q165-V219 HydrophobicContact CB-CG2 4.22Å; L215-V219 HydrophobicContact CD1-CB 4.24Å; L215-V219 HydrophobicContact CD1-CG2 4.22Å; L215-V219 PolarHBondContact O-N 2.97Å; L215-V219 VanDerWaalsContact O-N 3.12Å; V219-R221 PolarHBondContact O-N 2.93Å; V219-P222 VanDerWaalsContact O-CD 3.3Å; V219-P222 WeakPolarHBondContact O-CD 3.43Å; V219-M223 HydrophobicContact CG1-SD 3.55Å; V219-M223 VanDerWaalsContact CG1-SD 3.55Å; V219-M223 VanDerWaalsContact O-CG 3.24Å; V219-M223 WeakPolarHBondContact O-CG 3.24Å; V219-M223 PolarHBondContact O-N 3.02Å; V219-M223 VanDerWaalsContact O-N 3.14Å |
| 220 | V | 88.7 | Confident | 86 | Confident | 5 Ų | 5 | 64.8 Ų | 64.8 | 3% | 0.03 | 35% | 0.352 | C | S | . | . | I | π-helix | trans | -69.9 | -37.5 | -170.2 | -174.7 | 0 | 0 | 0 | 0 | 112.9 | L199 F203 L215 F216 M223 L224 | L199-V220 HydrophobicContact CD1-CG1 4.48Å; L199-V220 HydrophobicContact CD2-CG1 4.25Å; F203-V220 HydrophobicContact CE2-CG1 4.36Å; F203-V220 HydrophobicContact CE2-CG2 3.9Å; F203-V220 HydrophobicContact CZ-CG2 3.75Å; L215-V220 PolarHBondContact O-N 3.44Å; F216-V220 HydrophobicContact CD2-CB 4.11Å; F216-V220 HydrophobicContact CD2-CG1 4.18Å; F216-V220 HydrophobicContact CE2-CG1 4.31Å; F216-V220 PolarHBondContact O-N 3.22Å; V220-M223 PolarHBondContact O-N 2.87Å; V220-L224 HydrophobicContact CG1-CD1 4.04Å; V220-L224 HydrophobicContact CG1-CG 4.47Å; V220-L224 WeakPolarHBondContact O-CG 3.23Å; V220-L224 PolarHBondContact O-N 3.24Å |
| 221 | R | 87.3 | Confident | 86.4 | Confident | 131 Ų | 131 | 64 Ų | 64 | 49% | 0.494 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -70.7 | -37 | 179.5 | -175.6 | 179.4 | -174.1 | -172.9 | 0.2 | 112.6 | F216 N217 V219 | F216-R221 HydrophobicContact CD1-CB 4.39Å; F216-R221 HydrophobicContact CE1-CB 4.17Å; F216-R221 HydrophobicContact CE1-CG 4.43Å; F216-R221 HydrophobicContact CZ-CB 4.42Å; F216-R221 WeakPolarHBondContact O-CB 3.4Å; F216-R221 PolarHBondContact O-N 3.27Å; N217-R221 WeakPolarHBondContact OD1-CD 3.21Å; N217-R221 PolarHBondContact OD1-NH1 3.41Å; V219-R221 PolarHBondContact O-N 2.93Å |
| 222 | P | 88 | Confident | 86.7 | Confident | 56 Ų | 56 | 62 Ų | 62 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.5 | -44.1 | 162.4 | -31.2 | 36.6 | 0 | 0 | 0 | 113.9 | N217 V219 L224 K225 | N217-P222 WeakPolarHBondContact O-CD 3.36Å; V219-P222 VanDerWaalsContact O-CD 3.3Å; V219-P222 WeakPolarHBondContact O-CD 3.43Å; P222-L224 PolarHBondContact O-N 2.88Å; P222-K225 WeakPolarHBondContact O-CB 3.38Å; P222-K225 PolarHBondContact O-N 2.9Å |
| 223 | M | 88.8 | Confident | 86.9 | Confident | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.03 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.3 | -38.5 | 179 | -64.8 | 159.6 | 65.5 | 0 | 0 | 112.7 | L157 V180 V181 F184 V219 V220 K225 T226 | L157-M223 HydrophobicContact CD1-CE 4.01Å; V180-M223 HydrophobicContact CG1-CE 3.5Å; V180-M223 VanDerWaalsContact CG1-CE 3.5Å; V180-M223 HydrophobicContact CG1-SD 3.74Å; V181-M223 HydrophobicContact CG2-CG 3.97Å; F184-M223 HydrophobicContact CB-CE 3.35Å; F184-M223 HydrophobicContact CD1-CB 3.91Å; F184-M223 HydrophobicContact CD1-CE 4.18Å; F184-M223 HydrophobicContact CD2-CE 4.01Å; F184-M223 HydrophobicContact CE1-CB 4.09Å; F184-M223 WeakPolarHBondContact CE1-O 3.38Å; F184-M223 HydrophobicContact CG-CB 4.39Å; F184-M223 HydrophobicContact CG-CE 3.58Å; V219-M223 HydrophobicContact CG1-SD 3.55Å; V219-M223 VanDerWaalsContact CG1-SD 3.55Å; V219-M223 VanDerWaalsContact O-CG 3.24Å; V219-M223 WeakPolarHBondContact O-CG 3.24Å; V219-M223 PolarHBondContact O-N 3.02Å; V219-M223 VanDerWaalsContact O-N 3.14Å; V220-M223 PolarHBondContact O-N 2.87Å; M223-K225 PolarHBondContact O-N 2.82Å; M223-K225 VanDerWaalsContact O-N 3.11Å; M223-T226 PolarHBondContact O-N 3.27Å; M223-T226 PolarHBondContact O-OG1 2.98Å |
| 224 | L | 89.6 | Confident | 86.9 | Confident | 61 Ų | 61 | 65.2 Ų | 65.2 | 32% | 0.319 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -11.1 | 173 | -76.9 | 163.8 | 0 | 0 | 0 | 113.8 | F184 L196 F216 V220 P222 | F184-L224 HydrophobicContact CZ-CD2 3.82Å; F184-L224 HydrophobicContact CZ-CG 4.19Å; L196-L224 HydrophobicContact CD2-CD2 3.85Å; F216-L224 HydrophobicContact CE2-CD1 4.12Å; F216-L224 HydrophobicContact CZ-CD1 4.42Å; V220-L224 HydrophobicContact CG1-CD1 4.04Å; V220-L224 HydrophobicContact CG1-CG 4.47Å; V220-L224 WeakPolarHBondContact O-CG 3.23Å; V220-L224 PolarHBondContact O-N 3.24Å; P222-L224 PolarHBondContact O-N 2.88Å |
| 225 | K | 89.4 | Confident | 86.6 | Confident | 171 Ų | 171 | 68.1 Ų | 68.1 | 74% | 0.743 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -7.5 | 171.5 | -67.1 | 179.2 | 177.3 | -170.9 | 0 | 113.7 | P222 M223 | P222-K225 WeakPolarHBondContact O-CB 3.38Å; P222-K225 PolarHBondContact O-N 2.9Å; M223-K225 PolarHBondContact O-N 2.82Å; M223-K225 VanDerWaalsContact O-N 3.11Å |
| 226 | T | 88.1 | Confident | 85.9 | Confident | 65 Ų | 65 | 69.8 Ų | 69.8 | 40% | 0.399 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -97.8 | 14.1 | 179.9 | 64.9 | 0 | 0 | 0 | 0 | 113.2 | Q185 M223 | Q185-T226 PolarHBondContact NE2-O 2.97Å; M223-T226 PolarHBondContact O-N 3.27Å; M223-T226 PolarHBondContact O-OG1 2.98Å |
| 227 | V | 88.7 | Confident | 85.4 | Confident | 45 Ų | 45 | 71.6 Ų | 71.6 | 27% | 0.273 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -143.4 | 145.9 | -178.6 | -153.1 | 0 | 0 | 0 | 0 | 110.4 | F184 Q185 Y188 | F184-V227 HydrophobicContact CD1-CG2 4.06Å; F184-V227 HydrophobicContact CE1-CG2 3.68Å; Q185-V227 HydrophobicContact CG-CG2 3.96Å; Y188-V227 HydrophobicContact CD1-CB 4.2Å; Y188-V227 HydrophobicContact CD1-CG1 3.36Å; Y188-V227 HydrophobicContact CE1-CB 4.24Å; Y188-V227 HydrophobicContact CE1-CG1 3.55Å; Y188-V227 HydrophobicContact CG-CG1 4.17Å |
| 228 | T | 88.2 | Confident | 85.3 | Confident | 117 Ų | 117 | 73.3 Ų | 73.3 | 72% | 0.718 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -83.4 | 171.4 | 178 | 48.6 | 0 | 0 | 0 | 0 | 111.9 | Y188 H230 | Y188-T228 VanDerWaalsContact CE1-O 3.23Å; Y188-T228 WeakPolarHBondContact CE1-O 3.45Å; Y188-T228 PolarHBondContact OH-O 2.96Å; T228-H230 PolarHBondContact O-N 3.3Å |
| 229 | L | 88.8 | Confident | 85.2 | Confident | 126 Ų | 126 | 73.6 Ų | 73.6 | 66% | 0.66 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 116.8 | 173.2 | -177.4 | 67.5 | 0 | 0 | 0 | 110.3 | L233 I234 | L229-L233 HydrophobicContact CD1-CD1 3.93Å; L229-I234 HydrophobicContact CD2-CD1 4.14Å |
| 230 | H | 85.4 | Confident | 84.8 | Confident | 36 Ų | 36 | 77.3 Ų | 77.3 | 17% | 0.167 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 132.3 | 179.2 | -153.2 | -92.1 | 0 | 0 | 0 | 112.1 | Y188 G189 P192 T228 V232 L233 | Y188-H230 HydrophobicContact CD1-CB 4.5Å; Y188-H230 HydrophobicContact CE1-CB 3.73Å; Y188-H230 PolarHBondContact OH-N 3.38Å; G189-H230 PolarHBondContact O-CE1 3.12Å; G189-H230 PolarHBondContact O-NE2 3.34Å; P192-H230 HydrophobicContact CB-CB 3.86Å; P192-H230 HydrophobicContact CG-CB 3.99Å; T228-H230 PolarHBondContact O-N 3.3Å; H230-V232 VanDerWaalsContact C-N 3.27Å; H230-V232 WeakPolarHBondContact ND1-CB 3.3Å; H230-V232 WeakPolarHBondContact ND1-CG2 3.43Å; H230-V232 PolarHBondContact O-N 3.24Å; H230-L233 HydrophobicContact CB-CD1 4.11Å; H230-L233 HydrophobicContact CB-CG 4.27Å; H230-L233 VanDerWaalsContact O-CB 3.31Å; H230-L233 WeakPolarHBondContact O-CB 3.38Å; H230-L233 PolarHBondContact O-N 2.66Å; H230-L233 VanDerWaalsContact O-N 3.07Å |
| 231 | P | 84.4 | Confident | 84.5 | Confident | 88 Ų | 88 | 77.1 Ų | 77.1 | 57% | 0.571 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -33.1 | -176.5 | 22.7 | -33.8 | 0 | 0 | 0 | 113.6 | L233 I234 S235 | P231-L233 PolarHBondContact O-N 2.97Å; P231-L233 VanDerWaalsContact O-N 3.13Å; P231-I234 PolarHBondContact O-N 3.44Å; P231-S235 PolarHBondContact O-N 3.4Å; P231-S235 PolarHBondContact O-OG 2.93Å |
| 232 | V | 82.3 | Confident | 84.2 | Confident | 17 Ų | 17 | 74.2 Ų | 74.2 | 10% | 0.103 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -55.9 | -27.5 | 176 | 177.5 | 0 | 0 | 0 | 0 | 112.6 | P192 H230 I234 S235 S236 | P192-V232 HydrophobicContact CG-CB 4.07Å; P192-V232 HydrophobicContact CG-CG1 4.18Å; H230-V232 VanDerWaalsContact C-N 3.27Å; H230-V232 WeakPolarHBondContact ND1-CB 3.3Å; H230-V232 WeakPolarHBondContact ND1-CG2 3.43Å; H230-V232 PolarHBondContact O-N 3.24Å; V232-I234 PolarHBondContact O-N 2.84Å; V232-S235 WeakPolarHBondContact CA-OG 3.48Å; V232-S235 PolarHBondContact O-N 3.22Å; V232-S236 WeakPolarHBondContact CG1-OG 3.08Å; V232-S236 PolarHBondContact O-N 3.26Å; V232-S236 PolarHBondContact O-OG 2.96Å |
| 233 | L | 85.3 | Confident | 83.6 | Confident | 49 Ų | 49 | 75.4 Ų | 75.4 | 26% | 0.257 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.9 | -16.3 | 174.9 | -66.7 | 168.3 | 0 | 0 | 0 | 114.1 | Y188 P192 L196 L229 H230 P231 | Y188-L233 WeakPolarHBondContact OH-CD1 3.44Å; P192-L233 HydrophobicContact CB-CD1 4.25Å; P192-L233 HydrophobicContact CB-CD2 3.91Å; P192-L233 HydrophobicContact CB-CG 3.92Å; P192-L233 HydrophobicContact CG-CD2 4.46Å; P192-L233 HydrophobicContact CG-CG 4.36Å; L196-L233 HydrophobicContact CD1-CD1 3.81Å; L196-L233 HydrophobicContact CD1-CD2 3.89Å; L229-L233 HydrophobicContact CD1-CD1 3.93Å; H230-L233 HydrophobicContact CB-CD1 4.11Å; H230-L233 HydrophobicContact CB-CG 4.27Å; H230-L233 VanDerWaalsContact O-CB 3.31Å; H230-L233 WeakPolarHBondContact O-CB 3.38Å; H230-L233 PolarHBondContact O-N 2.66Å; H230-L233 VanDerWaalsContact O-N 3.07Å; P231-L233 PolarHBondContact O-N 2.97Å; P231-L233 VanDerWaalsContact O-N 3.13Å |
| 234 | I | 83.5 | Confident | 82.9 | Confident | 135 Ų | 135 | 83 Ų | 83 | 69% | 0.692 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -106.5 | -39.6 | 177.6 | -52.8 | 176.3 | 0 | 0 | 0 | 110 | L229 P231 V232 | L229-I234 HydrophobicContact CD2-CD1 4.14Å; P231-I234 PolarHBondContact O-N 3.44Å; V232-I234 PolarHBondContact O-N 2.84Å |
| 235 | S | 77.7 | Confident | 82 | Confident | 95 Ų | 95 | 84.8 Ų | 84.8 | 66% | 0.664 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -90.2 | -12.2 | -172.6 | 62.1 | 0 | 0 | 0 | 0 | 115.7 | P231 V232 | P231-S235 PolarHBondContact O-N 3.4Å; P231-S235 PolarHBondContact O-OG 2.93Å; V232-S235 WeakPolarHBondContact CA-OG 3.48Å; V232-S235 PolarHBondContact O-N 3.22Å |
| 236 | S | 72.3 | Confident | 81.2 | Confident | 34 Ų | 34 | 79 Ų | 79 | 24% | 0.238 | 42% | 0.422 | C | S | . | . | trans | -131.4 | 170 | -178.2 | 92.3 | 0 | 0 | 0 | 0 | 114.1 | V232 | V232-S236 WeakPolarHBondContact CG1-OG 3.08Å; V232-S236 PolarHBondContact O-N 3.26Å; V232-S236 PolarHBondContact O-OG 2.96Å | ||
| 237 | N | 77.5 | Confident | 80.3 | Confident | 80 Ų | 80 | 78.4 Ų | 78.4 | 43% | 0.428 | 41% | 0.413 | S | S | . | . | trans | -100 | 176.1 | 161.4 | 68.9 | 19.8 | 0 | 0 | 0 | 110.2 | D239 L240 | N237-D239 VanDerWaalsContact C-N 3.29Å; N237-D239 PolarHBondContact O-N 2.82Å; N237-D239 PolarHBondContact OD1-N 2.93Å; N237-L240 WeakPolarHBondContact OD1-CB 3.36Å; N237-L240 WeakPolarHBondContact OD1-CD1 3.49Å; N237-L240 VanDerWaalsContact OD1-CG 3.22Å; N237-L240 WeakPolarHBondContact OD1-CG 3.37Å; N237-L240 PolarHBondContact OD1-N 3.07Å | ||
| 238 | K | 84.3 | Confident | 79.4 | Confident | 104 Ų | 104 | 81.5 Ų | 81.5 | 45% | 0.452 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.8 | -29.6 | -179.1 | -69.9 | 178 | -178.6 | 172.6 | 0 | 113.4 | N194 | N194-K238 PolarHBondContact ND2-O 3.15Å |
| 239 | D | 82.8 | Confident | 78.4 | Confident | 118 Ų | 118 | 81.6 Ų | 81.6 | 63% | 0.631 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -78 | -42.4 | -173 | -46.5 | -81.1 | 0 | 0 | 0 | 110.8 | N237 E241 M242 M243 | N237-D239 VanDerWaalsContact C-N 3.29Å; N237-D239 PolarHBondContact O-N 2.82Å; N237-D239 PolarHBondContact OD1-N 2.93Å; D239-E241 VanDerWaalsContact C-N 3.26Å; D239-E241 PolarHBondContact O-N 3.16Å; D239-M242 PolarHBondContact O-N 3.43Å; D239-M242 VanDerWaalsContact O-N 3.08Å; D239-M243 PolarHBondContact O-N 3.06Å |
| 240 | L | 80.2 | Confident | 77.5 | Confident | 85 Ų | 85 | 80.8 Ų | 80.8 | 45% | 0.445 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -57.3 | -38.3 | 171.5 | -74.2 | 166 | 0 | 0 | 0 | 112.1 | N237 M242 M243 | N237-L240 WeakPolarHBondContact OD1-CB 3.36Å; N237-L240 WeakPolarHBondContact OD1-CD1 3.49Å; N237-L240 VanDerWaalsContact OD1-CG 3.22Å; N237-L240 WeakPolarHBondContact OD1-CG 3.37Å; N237-L240 PolarHBondContact OD1-N 3.07Å; L240-M242 PolarHBondContact O-N 3.38Å; L240-M243 HydrophobicContact CD2-SD 3.82Å; L240-M243 WeakPolarHBondContact O-CB 3.47Å; L240-M243 PolarHBondContact O-N 2.84Å; L240-M243 VanDerWaalsContact O-N 3.14Å |
| 241 | E | 81.8 | Confident | 76.9 | Confident | 1 Ų | 1 | 81.4 Ų | 81.4 | 1% | 0.005 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.7 | -24 | 178.3 | -169.4 | -176.8 | 93.7 | 0 | 0 | 112.9 | Y191 P192 S193 N194 D239 | Y191-E241 VanDerWaalsContact CA-OE1 3.28Å; Y191-E241 WeakPolarHBondContact CA-OE1 3.47Å; Y191-E241 HydrophobicContact CD1-CG 4.21Å; P192-E241 WeakPolarHBondContact CD-OE2 3.23Å; P192-E241 WeakPolarHBondContact CG-OE2 3.44Å; S193-E241 WeakPolarHBondContact CA-OE2 3.26Å; S193-E241 WeakPolarHBondContact CB-OE2 3.49Å; S193-E241 PolarHBondContact N-OE1 2.96Å; S193-E241 PolarHBondContact N-OE2 2.92Å; S193-E241 PolarHBondContact OG-OE2 3.36Å; N194-E241 VanDerWaalsContact CB-OE1 3.32Å; N194-E241 WeakPolarHBondContact CB-OE1 3.34Å; N194-E241 PolarHBondContact N-OE1 3.35Å; N194-E241 PolarHBondContact ND2-OE1 3.49Å; D239-E241 VanDerWaalsContact C-N 3.26Å; D239-E241 PolarHBondContact O-N 3.16Å |
| 242 | M | 80.6 | Confident | 76.5 | Confident | 69 Ų | 69 | 81.7 Ų | 81.7 | 34% | 0.34 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -4.8 | 175.2 | -63.1 | -155.1 | 73.9 | 0 | 0 | 114 | T147 F150 D239 L240 | T147-M242 VanDerWaalsContact O-CE 3.31Å; T147-M242 WeakPolarHBondContact O-CE 3.4Å; F150-M242 HydrophobicContact CB-CE 4.18Å; D239-M242 PolarHBondContact O-N 3.43Å; D239-M242 VanDerWaalsContact O-N 3.08Å; L240-M242 PolarHBondContact O-N 3.38Å |
| 243 | M | 76.2 | Confident | 76.2 | Confident | 81 Ų | 81 | 85.7 Ų | 85.7 | 40% | 0.399 | 44% | 0.441 | S | S | . | . | trans | -68.2 | 143.1 | 177.1 | -77 | -179.5 | 54.3 | 0 | 0 | 111.6 | D239 L240 D245 | D239-M243 PolarHBondContact O-N 3.06Å; L240-M243 HydrophobicContact CD2-SD 3.82Å; L240-M243 WeakPolarHBondContact O-CB 3.47Å; L240-M243 PolarHBondContact O-N 2.84Å; L240-M243 VanDerWaalsContact O-N 3.14Å; M243-D245 VanDerWaalsContact C-N 3.31Å; M243-D245 HydrophobicContact CE-CB 4.48Å; M243-D245 WeakPolarHBondContact CE-OD2 3.49Å; M243-D245 PolarHBondContact O-N 3.19Å | ||
| 244 | K | 73.4 | Confident | 75.8 | Confident | 166 Ų | 166 | 86.5 Ų | 86.5 | 72% | 0.722 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -63.8 | -39.3 | 177.3 | -66.7 | -177.7 | 179.5 | 179.4 | 0 | 111.7 | R246 W247 V248 | K244-R246 PolarHBondContact O-N 3.5Å; K244-R246 VanDerWaalsContact O-N 3.16Å; K244-W247 PolarHBondContact O-N 3.05Å; K244-V248 PolarHBondContact O-N 3.12Å |
| 245 | D | 71.2 | Confident | 75.5 | Confident | 98 Ų | 98 | 84 Ų | 84 | 52% | 0.524 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -62.3 | -27.2 | -168.9 | -46.5 | -31.4 | 0 | 0 | 0 | 113.4 | M243 W247 V248 | M243-D245 VanDerWaalsContact C-N 3.31Å; M243-D245 HydrophobicContact CE-CB 4.48Å; M243-D245 WeakPolarHBondContact CE-OD2 3.49Å; M243-D245 PolarHBondContact O-N 3.19Å; D245-W247 PolarHBondContact O-N 3.26Å; D245-V248 PolarHBondContact O-N 2.99Å |
| 246 | R | 72 | Confident | 75.6 | Confident | 49 Ų | 49 | 86.8 Ų | 86.8 | 19% | 0.185 | 43% | 0.434 | C | S | . | . | G | 310 helix | trans | -54.4 | -40.2 | 171.1 | 178.5 | 178 | 176.4 | -151.2 | -10.2 | 111.7 | L190 K244 E251 | L190-R246 PolarHBondContact O-NH1 3.15Å; K244-R246 PolarHBondContact O-N 3.5Å; K244-R246 VanDerWaalsContact O-N 3.16Å; R246-E251 IonicContact CZ-OE1 3.89Å; R246-E251 IonicContact NE-OE1 3.79Å; R246-E251 PolarHBondContact NE-OE1 2.96Å; R246-E251 IonicContact NH2-OE1 3Å; R246-E251 PolarHBondContact NH2-OE1 2.89Å |
| 247 | W | 70.5 | Confident | 75.7 | Confident | 53 Ų | 53 | 89.4 Ų | 89.4 | 20% | 0.201 | 45% | 0.448 | C | S | . | . | G | 310 helix | trans | -99.9 | 1.9 | -170.9 | -46.2 | 101 | 0 | 0 | 0 | 113.8 | P144 L190 Y191 K244 D245 | P144-W247 HydrophobicContact CB-CB 3.45Å; P144-W247 VanDerWaalsContact CB-CB 3.45Å; P144-W247 HydrophobicContact CB-CD2 4.3Å; P144-W247 HydrophobicContact CB-CG 3.71Å; P144-W247 HydrophobicContact CG-CB 3.73Å; P144-W247 HydrophobicContact CG-CG 4.26Å; L190-W247 HydrophobicContact CB-CH2 3.88Å; L190-W247 HydrophobicContact CD2-CH2 3.58Å; L190-W247 HydrophobicContact CD2-CZ3 3.56Å; L190-W247 HydrophobicContact CG-CH2 4.3Å; Y191-W247 HydrophobicContact CD1-CZ2 4.4Å; Y191-W247 AromaticContact CE1-CZ2 3.72Å; Y191-W247 HydrophobicContact CE1-CZ2 3.72Å; K244-W247 PolarHBondContact O-N 3.05Å; D245-W247 PolarHBondContact O-N 3.26Å |
| 248 | V | 68.5 | Low | 75.5 | Confident | 110 Ų | 110 | 90.1 Ų | 90.1 | 67% | 0.667 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -31.9 | 173.6 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | K244 D245 | K244-V248 PolarHBondContact O-N 3.12Å; D245-V248 PolarHBondContact O-N 2.99Å |
| 249 | N | 67.2 | Low | 75.1 | Confident | 119 Ų | 119 | 88.3 Ų | 88.3 | 64% | 0.636 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -99.6 | 142.9 | 176.2 | -55.8 | -61 | 0 | 0 | 0 | 109.2 | E251 | N249-E251 PolarHBondContact O-N 2.89Š|
| 250 | K | 69.7 | Low | 74.6 | Confident | 110 Ų | 110 | 87.3 Ų | 87.3 | 48% | 0.478 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 127.2 | 164.5 | -74.5 | 177.7 | 174.1 | -116.3 | 0 | 108.7 | D254 I255 E258 | K250-D254 HydrophobicContact CB-CB 4.06Å; K250-D254 HydrophobicContact CG-CB 4.31Å; K250-I255 HydrophobicContact CB-CD1 4.44Å; K250-I255 HydrophobicContact CB-CG1 3.92Å; K250-I255 HydrophobicContact CD-CG1 4.38Å; K250-E258 IonicContact NZ-OE1 2.67Å; K250-E258 PolarHBondContact NZ-OE1 3.15Å; K250-E258 IonicContact NZ-OE2 2.88Å; K250-E258 PolarHBondContact NZ-OE2 2.75Å |
| 251 | E | 73.4 | Confident | 73.8 | Confident | 48 Ų | 48 | 89.9 Ų | 89.9 | 22% | 0.224 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 155 | 168.5 | -72.2 | -163.6 | -150.1 | 0 | 0 | 109.1 | R246 N249 H253 D254 I255 | R246-E251 IonicContact CZ-OE1 3.89Å; R246-E251 IonicContact NE-OE1 3.79Å; R246-E251 PolarHBondContact NE-OE1 2.96Å; R246-E251 IonicContact NH2-OE1 3Å; R246-E251 PolarHBondContact NH2-OE1 2.89Å; N249-E251 PolarHBondContact O-N 2.89Å; E251-H253 PolarHBondContact O-N 2.8Å; E251-H253 IonicContact OE2-CE1 3.04Å; E251-H253 PolarHBondContact OE2-CE1 2.88Å; E251-H253 IonicContact OE2-ND1 3.41Å; E251-D254 PolarHBondContact N-OD2 3.41Å; E251-D254 WeakPolarHBondContact O-CB 3.11Å; E251-D254 PolarHBondContact O-N 3.19Å; E251-I255 PolarHBondContact O-N 2.99Å |
| 252 | P | 75.7 | Confident | 73 | Confident | 94 Ų | 94 | 95.3 Ų | 95.3 | 61% | 0.61 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -56 | -28.5 | -175.8 | -28 | 35.8 | 0 | 0 | 0 | 114 | I255 F256 | P252-I255 PolarHBondContact O-N 3.42Å; P252-F256 WeakPolarHBondContact O-CD2 3.35Å; P252-F256 PolarHBondContact O-N 3.32Å; P252-F256 VanDerWaalsContact O-N 3.11Å |
| 253 | H | 76.9 | Confident | 72 | Confident | 102 Ų | 102 | 96.4 Ų | 96.4 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -74.4 | -29.9 | 177.1 | 68.3 | -94.9 | 0 | 0 | 0 | 113.5 | E251 I255 F256 V257 | E251-H253 PolarHBondContact O-N 2.8Å; E251-H253 IonicContact OE2-CE1 3.04Å; E251-H253 PolarHBondContact OE2-CE1 2.88Å; E251-H253 IonicContact OE2-ND1 3.41Å; H253-I255 VanDerWaalsContact C-N 3.29Å; H253-I255 PolarHBondContact O-N 3.16Å; H253-F256 PolarHBondContact O-N 2.94Å; H253-V257 WeakPolarHBondContact O-CG2 3.22Å; H253-V257 PolarHBondContact O-N 3.33Å |
| 254 | D | 76.7 | Confident | 70.8 | Confident | 66 Ų | 66 | 97 Ų | 97 | 35% | 0.353 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 171.5 | -58.8 | -42.7 | 0 | 0 | 0 | 110.6 | K250 E251 V257 E258 | K250-D254 HydrophobicContact CB-CB 4.06Å; K250-D254 HydrophobicContact CG-CB 4.31Å; E251-D254 PolarHBondContact N-OD2 3.41Å; E251-D254 WeakPolarHBondContact O-CB 3.11Å; E251-D254 PolarHBondContact O-N 3.19Å; D254-V257 PolarHBondContact O-N 3.49Å; D254-E258 WeakPolarHBondContact O-CB 3.36Å; D254-E258 PolarHBondContact O-N 2.89Å |
| 255 | I | 77.8 | Confident | 69.5 | Low | 83 Ų | 83 | 97 Ų | 97 | 43% | 0.426 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.4 | -41.3 | 176 | -53 | 175.5 | 0 | 0 | 0 | 109.9 | K250 E251 P252 H253 E258 C259 | K250-I255 HydrophobicContact CB-CD1 4.44Å; K250-I255 HydrophobicContact CB-CG1 3.92Å; K250-I255 HydrophobicContact CD-CG1 4.38Å; E251-I255 PolarHBondContact O-N 2.99Å; P252-I255 PolarHBondContact O-N 3.42Å; H253-I255 VanDerWaalsContact C-N 3.29Å; H253-I255 PolarHBondContact O-N 3.16Å; I255-E258 PolarHBondContact O-N 3.06Å; I255-C259 WeakPolarHBondContact O-CB 3.33Å; I255-C259 PolarHBondContact O-N 3.28Å; I255-C259 PolarHBondContact O-SG 2.65Å |
| 256 | F | 78.4 | Confident | 68 | Low | 153 Ų | 153 | 92.9 Ų | 92.9 | 67% | 0.671 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.1 | -40 | 174 | -82 | -66.6 | 0 | 0 | 0 | 113 | P252 H253 C259 V260 | P252-F256 WeakPolarHBondContact O-CD2 3.35Å; P252-F256 PolarHBondContact O-N 3.32Å; P252-F256 VanDerWaalsContact O-N 3.11Å; H253-F256 PolarHBondContact O-N 2.94Å; F256-C259 PolarHBondContact O-N 2.77Å; F256-V260 WeakPolarHBondContact O-CG2 3.23Å; F256-V260 PolarHBondContact O-N 3.27Å |
| 257 | V | 76.2 | Confident | 66.7 | Low | 88 Ų | 88 | 98.2 Ų | 98.2 | 53% | 0.533 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.2 | -45 | 176.9 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | H253 D254 C259 V260 D261 | H253-V257 WeakPolarHBondContact O-CG2 3.22Å; H253-V257 PolarHBondContact O-N 3.33Å; D254-V257 PolarHBondContact O-N 3.49Å; V257-C259 VanDerWaalsContact C-N 3.28Å; V257-C259 PolarHBondContact O-N 3.03Å; V257-V260 WeakPolarHBondContact O-CB 3.21Å; V257-V260 PolarHBondContact O-N 3.45Å; V257-D261 PolarHBondContact O-N 3.02Å; V257-D261 VanDerWaalsContact O-N 3.11Å |
| 258 | E | 72.1 | Confident | 64.9 | Low | 95 Ų | 95 | 98 Ų | 98 | 44% | 0.444 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.4 | -35.4 | 174.7 | -176.4 | 170.7 | -114.2 | 0 | 0 | 112.1 | K250 D254 I255 D261 V262 | K250-E258 IonicContact NZ-OE1 2.67Å; K250-E258 PolarHBondContact NZ-OE1 3.15Å; K250-E258 IonicContact NZ-OE2 2.88Å; K250-E258 PolarHBondContact NZ-OE2 2.75Å; D254-E258 WeakPolarHBondContact O-CB 3.36Å; D254-E258 PolarHBondContact O-N 2.89Å; I255-E258 PolarHBondContact O-N 3.06Å; E258-D261 PolarHBondContact O-N 3.19Å; E258-V262 WeakPolarHBondContact O-CG2 3.36Å; E258-V262 PolarHBondContact O-N 3.19Å |
| 259 | C | 75.3 | Confident | 63.4 | Low | 67 Ų | 67 | 98.8 Ų | 98.8 | 45% | 0.453 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.9 | -37.5 | 170.3 | -76.9 | 0 | 0 | 0 | 0 | 112.5 | I255 F256 V257 V262 T263 | I255-C259 WeakPolarHBondContact O-CB 3.33Å; I255-C259 PolarHBondContact O-N 3.28Å; I255-C259 PolarHBondContact O-SG 2.65Å; F256-C259 PolarHBondContact O-N 2.77Å; V257-C259 VanDerWaalsContact C-N 3.28Å; V257-C259 PolarHBondContact O-N 3.03Å; C259-V262 CarbonylContact O-C 3.44Å; C259-V262 PolarHBondContact O-N 2.87Å; C259-T263 WeakPolarHBondContact O-CG2 3.34Å; C259-T263 PolarHBondContact O-N 3.36Å; C259-T263 PolarHBondContact O-OG1 2.9Å |
| 260 | V | 73.2 | Confident | 61.9 | Low | 96 Ų | 96 | 96.8 Ų | 96.8 | 58% | 0.582 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62 | -45.2 | 176 | 167.5 | 0 | 0 | 0 | 0 | 111.1 | F256 V257 V262 T263 | F256-V260 WeakPolarHBondContact O-CG2 3.23Å; F256-V260 PolarHBondContact O-N 3.27Å; V257-V260 WeakPolarHBondContact O-CB 3.21Å; V257-V260 PolarHBondContact O-N 3.45Å; V260-V262 PolarHBondContact O-N 2.97Å; V260-T263 WeakPolarHBondContact CA-OG1 3.45Å; V260-T263 PolarHBondContact O-N 3.13Å; V260-T263 PolarHBondContact O-OG1 3.34Å |
| 261 | D | 63.2 | Low | 60.3 | Low | 140 Ų | 140 | 98 Ų | 98 | 75% | 0.749 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.8 | -24.5 | 177.4 | -72.3 | -20.3 | 0 | 0 | 0 | 113.1 | V257 E258 | V257-D261 PolarHBondContact O-N 3.02Å; V257-D261 VanDerWaalsContact O-N 3.11Å; E258-D261 PolarHBondContact O-N 3.19Å |
| 262 | V | 66 | Low | 58.6 | Low | 114 Ų | 114 | 103 Ų | 103 | 69% | 0.691 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -92.3 | -23.8 | 177.2 | 175.1 | 0 | 0 | 0 | 0 | 112.6 | E258 C259 V260 V264 | E258-V262 WeakPolarHBondContact O-CG2 3.36Å; E258-V262 PolarHBondContact O-N 3.19Å; C259-V262 CarbonylContact O-C 3.44Å; C259-V262 PolarHBondContact O-N 2.87Å; V260-V262 PolarHBondContact O-N 2.97Å; V262-V264 PolarHBondContact O-N 3.36Å |
| 263 | T | 58.9 | Low | 56.4 | Low | 93 Ų | 93 | 107.5 Ų | 107.5 | 57% | 0.571 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -76.5 | 103.4 | 173.5 | 49.4 | 0 | 0 | 0 | 0 | 111.6 | C259 V260 E265 | C259-T263 WeakPolarHBondContact O-CG2 3.34Å; C259-T263 PolarHBondContact O-N 3.36Å; C259-T263 PolarHBondContact O-OG1 2.9Å; V260-T263 WeakPolarHBondContact CA-OG1 3.45Å; V260-T263 PolarHBondContact O-N 3.13Å; V260-T263 PolarHBondContact O-OG1 3.34Å; T263-E265 PolarHBondContact O-N 3.23Å |
| 264 | V | 50.4 | Low | 54.3 | Low | 94 Ų | 94 | 107.9 Ų | 107.9 | 57% | 0.57 | 62% | 0.622 | S | S | * | * | trans | -54.8 | 126.3 | 171.5 | -172.2 | 0 | 0 | 0 | 0 | 110.2 | V262 G266 I850 | V262-V264 PolarHBondContact O-N 3.36Å; V264-G266 PolarHBondContact O-N 3.02Å; V264-I850 HydrophobicContact CB-CD1 4.47Å; V264-I850 HydrophobicContact CG1-CG2 3.87Å | ||
| 265 | E | 47.1 | Very low | 52.3 | Low | 164 Ų | 164 | 110.6 Ų | 110.6 | 77% | 0.766 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -60 | 85.9 | -170.3 | -74.9 | -163.3 | 124.5 | 0 | 0 | 115 | T263 R857 | T263-E265 PolarHBondContact O-N 3.23Å; E265-R857 PolarHBondContact O-NH1 2.91Å |
| 266 | G | 39.2 | Very low | 50 | Low | 12 Ų | 12 | 110 Ų | 110 | 12% | 0.124 | 64% | 0.643 | C | S | . | * | trans | -110.7 | -14.1 | -167.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | V264 N853 | V264-G266 PolarHBondContact O-N 3.02Å; G266-N853 PolarHBondContact O-ND2 3.23Å | ||
| 267 | L | 44.2 | Very low | 47.9 | Very low | 162 Ų | 162 | 107 Ų | 107 | 85% | 0.848 | 64% | 0.638 | S | S | * | * | trans | -135.8 | 141.3 | 179.4 | -75.8 | 161.5 | 0 | 0 | 0 | 107.6 | ||||
| 268 | G | 33.2 | Very low | 45.8 | Very low | 47 Ų | 47 | 110.6 Ų | 110.6 | 49% | 0.485 | 65% | 0.649 | S | S | . | * | cis | 106 | 92.5 | 17.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 269 | S | 36 | Very low | 43.9 | Very low | 127 Ų | 127 | 109.5 Ų | 109.5 | 89% | 0.888 | 66% | 0.657 | S | S | * | * | trans | 55 | 75.9 | 173.1 | 57.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 270 | A | 37 | Very low | 41.8 | Very low | 78 Ų | 78 | 111.9 Ų | 111.9 | 65% | 0.645 | 67% | 0.669 | S | S | * | * | trans | -165.8 | 125.1 | 138.3 | 0 | 0 | 0 | 0 | 0 | 111 | L272 | A270-L272 PolarHBondContact O-N 3.39Š| ||
| 271 | P | 35.1 | Very low | 39.7 | Very low | 134 Ų | 134 | 111.8 Ų | 111.8 | 87% | 0.87 | 67% | 0.669 | S | S | * | * | trans | -83.9 | 59.3 | 174.6 | 35.9 | -35.6 | 0 | 0 | 0 | 111.6 | Q273 | P271-Q273 PolarHBondContact O-N 3.02Š| ||
| 272 | L | 37.8 | Very low | 38.1 | Very low | 153 Ų | 153 | 106.3 Ų | 106.3 | 80% | 0.801 | 64% | 0.64 | S | S | * | * | trans | -69.3 | 114.2 | 154.2 | -67.4 | -178.8 | 0 | 0 | 0 | 106 | A270 P274 | A270-L272 PolarHBondContact O-N 3.39Å; L272-P274 WeakPolarHBondContact O-CD 3.31Å; L272-P274 VanDerWaalsContact O-N 3.13Å | ||
| 273 | Q | 30.9 | Very low | 36.3 | Very low | 189 Ų | 189 | 103.5 Ų | 103.5 | 88% | 0.883 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 119.4 | -177.6 | -74 | -172.9 | -65.5 | 0 | 0 | 110 | P271 V275 | P271-Q273 PolarHBondContact O-N 3.02Å; Q273-V275 PolarHBondContact O-N 3.15Å |
| 274 | P | 32.1 | Very low | 34.9 | Very low | 111 Ų | 111 | 105 Ų | 105 | 72% | 0.721 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 131.7 | 160.2 | -16.2 | 31.1 | 0 | 0 | 0 | 107.2 | L272 | L272-P274 WeakPolarHBondContact O-CD 3.31Å; L272-P274 VanDerWaalsContact O-N 3.13Å |
| 275 | V | 34.4 | Very low | 33.9 | Very low | 123 Ų | 123 | 106 Ų | 106 | 75% | 0.745 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 125.3 | 162.3 | 177.3 | 0 | 0 | 0 | 0 | 105.8 | Q273 | Q273-V275 PolarHBondContact O-N 3.15Š|
| 276 | P | 29.8 | Very low | 33 | Very low | 70 Ų | 70 | 103.4 Ų | 103.4 | 46% | 0.455 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -61.2 | 135.2 | -171.4 | 22.8 | -33.2 | 0 | 0 | 0 | 110.3 | E278 A279 | P276-E278 HydrophobicContact CB-CB 4.32Å; P276-E278 HydrophobicContact CB-CG 4.25Å; P276-E278 PolarHBondContact O-N 2.92Å; P276-A279 PolarHBondContact O-N 3.43Å |
| 277 | P | 33.2 | Very low | 32.5 | Very low | 90 Ų | 90 | 112.7 Ų | 112.7 | 58% | 0.584 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -64.3 | -3.7 | 179.5 | 25.7 | -34.1 | 0 | 0 | 0 | 113.5 | A279 T280 V281 | P277-A279 PolarHBondContact O-N 2.85Å; P277-A279 VanDerWaalsContact O-N 3.08Å; P277-T280 PolarHBondContact O-N 3.08Å; P277-T280 PolarHBondContact O-OG1 3.33Å; P277-V281 PolarHBondContact O-N 3.2Å |
| 278 | E | 32.7 | Very low | 31.6 | Very low | 163 Ų | 163 | 112.9 Ų | 112.9 | 76% | 0.762 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -53.9 | -15.4 | 161.9 | -56.8 | -176.5 | 148.6 | 0 | 0 | 113.7 | P276 | P276-E278 HydrophobicContact CB-CB 4.32Å; P276-E278 HydrophobicContact CB-CG 4.25Å; P276-E278 PolarHBondContact O-N 2.92Å |
| 279 | A | 32.9 | Very low | 31.2 | Very low | 73 Ų | 73 | 115.5 Ų | 115.5 | 60% | 0.603 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -78.8 | -21.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | P276 P277 | P276-A279 PolarHBondContact O-N 3.43Å; P277-A279 PolarHBondContact O-N 2.85Å; P277-A279 VanDerWaalsContact O-N 3.08Å |
| 280 | T | 31.2 | Very low | 30.8 | Very low | 117 Ų | 117 | 115.8 Ų | 115.8 | 72% | 0.718 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | -20.6 | -179.6 | 45.5 | 0 | 0 | 0 | 0 | 113.4 | P277 V282 | P277-T280 PolarHBondContact O-N 3.08Å; P277-T280 PolarHBondContact O-OG1 3.33Å; T280-V282 PolarHBondContact O-N 2.91Å |
| 281 | V | 29.3 | Very low | 30.5 | Very low | 94 Ų | 94 | 118 Ų | 118 | 57% | 0.57 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -79.9 | 105.5 | 169 | -179.8 | 0 | 0 | 0 | 0 | 110 | P277 P283 | P277-V281 PolarHBondContact O-N 3.2Å; V281-P283 WeakPolarHBondContact O-CD 3.35Å; V281-P283 VanDerWaalsContact O-N 3.13Å |
| 282 | V | 28.8 | Very low | 30.2 | Very low | 24 Ų | 24 | 116.5 Ų | 116.5 | 15% | 0.145 | 67% | 0.666 | C | S | . | * | trans | -52.6 | 117.2 | 167.5 | 173.2 | 0 | 0 | 0 | 0 | 109 | F94 T280 T284 | F94-V282 HydrophobicContact CD1-CB 4.38Å; F94-V282 HydrophobicContact CD1-CG1 3.5Å; F94-V282 VanDerWaalsContact CD1-CG1 3.5Å; F94-V282 HydrophobicContact CD1-CG2 3.9Å; F94-V282 HydrophobicContact CE1-CG1 3.7Å; F94-V282 HydrophobicContact CE1-CG2 4.27Å; F94-V282 HydrophobicContact CG-CG1 4.13Å; F94-V282 HydrophobicContact CZ-CG1 4.47Å; T280-V282 PolarHBondContact O-N 2.91Å; V282-T284 PolarHBondContact O-N 2.8Å; V282-T284 VanDerWaalsContact O-N 3.11Å | ||
| 283 | P | 28 | Very low | 29.8 | Very low | 55 Ų | 55 | 117 Ų | 117 | 36% | 0.357 | 67% | 0.665 | S | S | . | * | trans | -73.2 | 108.4 | -169.9 | 26.9 | -34.2 | 0 | 0 | 0 | 111.6 | V281 V285 | V281-P283 WeakPolarHBondContact O-CD 3.35Å; V281-P283 VanDerWaalsContact O-N 3.13Å; P283-V285 PolarHBondContact O-N 2.86Å | ||
| 284 | T | 29.9 | Very low | 29.8 | Very low | 125 Ų | 125 | 115.3 Ų | 115.3 | 77% | 0.767 | 66% | 0.661 | S | S | * | * | trans | -72 | 41.6 | 176 | -39 | 0 | 0 | 0 | 0 | 112.6 | V282 | V282-T284 PolarHBondContact O-N 2.8Å; V282-T284 VanDerWaalsContact O-N 3.11Å | ||
| 285 | V | 28.7 | Very low | 29.6 | Very low | 115 Ų | 115 | 114.7 Ų | 114.7 | 70% | 0.697 | 66% | 0.66 | S | S | * | * | trans | -128.5 | 50.2 | -165.8 | -162.1 | 0 | 0 | 0 | 0 | 111.3 | P283 | P283-V285 PolarHBondContact O-N 2.86Š| ||
| 286 | F | 29.1 | Very low | 29.3 | Very low | 110 Ų | 110 | 112.4 Ų | 112.4 | 48% | 0.482 | 65% | 0.649 | S | S | . | * | trans | -138.8 | 32.1 | 178.7 | -85.6 | -62 | 0 | 0 | 0 | 116.2 | N175 | N175-F286 HydrophobicContact CB-CZ 4.03Å; N175-F286 WeakPolarHBondContact ND2-CE1 3.48Å | ||
| 287 | Y | 28.1 | Very low | 29.3 | Very low | 206 Ų | 206 | 118.2 Ų | 118.2 | 81% | 0.808 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -149.4 | 88 | 159.8 | -79.8 | -62.7 | 0 | 0 | 0 | 112.1 | ||
| 288 | N | 24.6 | Very low | 29.2 | Very low | 166 Ų | 166 | 123 Ų | 123 | 89% | 0.888 | 68% | 0.675 | S | S | * | * | trans | -175.3 | 68.6 | 161.4 | -100.4 | -30.1 | 0 | 0 | 0 | 111.9 | ||||
| 289 | S | 25.5 | Very low | 29.2 | Very low | 102 Ų | 102 | 121.3 Ų | 121.3 | 71% | 0.713 | 68% | 0.676 | S | S | * | * | trans | -175.4 | 87.4 | 162.5 | -86.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 290 | T | 28.3 | Very low | 29 | Very low | 133 Ų | 133 | 123.1 Ų | 123.1 | 82% | 0.816 | 68% | 0.684 | S | S | * | * | trans | -174.8 | 132.8 | 141.2 | 18.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 291 | T | 31 | Very low | 29.1 | Very low | 126 Ų | 126 | 122.8 Ų | 122.8 | 77% | 0.773 | 68% | 0.683 | S | S | * | * | trans | 49.2 | 116.5 | 157.2 | 55 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 292 | S | 27.8 | Very low | 29.1 | Very low | 101 Ų | 101 | 122.9 Ų | 122.9 | 71% | 0.706 | 69% | 0.694 | S | S | * | * | cis | 51.7 | 104.9 | 27 | -138.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 293 | E | 30.5 | Very low | 29.5 | Very low | 164 Ų | 164 | 131.8 Ų | 131.8 | 77% | 0.766 | 73% | 0.731 | S | S | * | * | cis | -160.5 | -176.5 | 48.9 | -74.5 | -158 | 145.7 | 0 | 0 | 113.9 | ||||
| 294 | L | 29.6 | Very low | 29.4 | Very low | 153 Ų | 153 | 138 Ų | 138 | 80% | 0.801 | 76% | 0.755 | S | S | * | * | trans | 64.9 | 142.8 | 168.4 | -88.1 | 63.8 | 0 | 0 | 0 | 116.6 | ||||
| 295 | S | 27.6 | Very low | 29.6 | Very low | 99 Ų | 99 | 141.4 Ų | 141.4 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | cis | -169.8 | 167 | -28.8 | 55.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 296 | S | 29.5 | Very low | 29.6 | Very low | 74 Ų | 74 | 141 Ų | 141 | 52% | 0.517 | 77% | 0.765 | S | S | . | * | trans | 162.8 | 60.7 | 163.5 | -53.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 297 | Y | 29.4 | Very low | 29.6 | Very low | 192 Ų | 192 | 145 Ų | 145 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | trans | 67.6 | 118.6 | 158.3 | -46.6 | -53.1 | 0 | 0 | 0 | 121.4 | ||||
| 298 | K | 30.9 | Very low | 29.7 | Very low | 192 Ų | 192 | 142 Ų | 142 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | 68.4 | 124.6 | 139.9 | -59.5 | 165.8 | -172.2 | 175.8 | 0 | 117 | ||||
| 299 | T | 33.5 | Very low | 30 | Very low | 127 Ų | 127 | 142 Ų | 142 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | cis | -140.4 | 121.9 | 17.8 | 49.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 300 | S | 29 | Very low | 30.2 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | 49.7 | 140.4 | 121.6 | -146.6 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 301 | P | 31.5 | Very low | 30.1 | Very low | 110 Ų | 110 | 143.8 Ų | 143.8 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | cis | -140.7 | 166.9 | -38.2 | 39.1 | -23.6 | 0 | 0 | 0 | 115 | ||||
| 302 | A | 30.5 | Very low | 30.1 | Very low | 96 Ų | 96 | 144.1 Ų | 144.1 | 79% | 0.793 | 77% | 0.77 | S | S | * | * | trans | 66.7 | 150.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 303 | K | 36.2 | Very low | 30.2 | Very low | 212 Ų | 212 | 148.6 Ų | 148.6 | 92% | 0.922 | 77% | 0.772 | S | S | * | * | cis | -114.1 | 172.6 | -2.9 | -72.3 | -178.6 | 179.3 | 177.6 | 0 | 111.3 | ||||
| 304 | Q | 26.9 | Very low | 30.3 | Very low | 184 Ų | 184 | 149.2 Ų | 149.2 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -127.2 | 120.1 | -168.4 | 170.3 | -174.3 | -5.2 | 0 | 0 | 109.9 | ||||
| 305 | E | 32.8 | Very low | 30.3 | Very low | 198 Ų | 198 | 153.3 Ų | 153.3 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | trans | -135.8 | 139.2 | 164.8 | -71.3 | -170.9 | 174.5 | 0 | 0 | 109.6 | ||||
| 306 | S | 29.9 | Very low | 30.5 | Very low | 106 Ų | 106 | 160.3 Ų | 160.3 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -100.2 | 137.9 | -172.2 | 47.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 307 | F | 29.8 | Very low | 30.6 | Very low | 193 Ų | 193 | 162.1 Ų | 162.1 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | -116.4 | 101 | 176.1 | -119.5 | -89 | 0 | 0 | 0 | 111.3 | ||||
| 308 | D | 30.3 | Very low | 30.8 | Very low | 145 Ų | 145 | 158.9 Ų | 158.9 | 78% | 0.775 | 81% | 0.808 | S | S | * | * | trans | -80.7 | 117.8 | 172.3 | -89.3 | -46 | 0 | 0 | 0 | 111 | S310 | D308-S310 VanDerWaalsContact C-N 3.34Å; D308-S310 PolarHBondContact O-N 3.04Å | ||
| 309 | F | 29.5 | Very low | 30.8 | Very low | 165 Ų | 165 | 155.5 Ų | 155.5 | 72% | 0.724 | 81% | 0.809 | S | S | * | * | trans | -85.1 | 70 | -178.3 | -123.3 | -84.7 | 0 | 0 | 0 | 112.6 | F311 | F309-F311 HydrophobicContact CD1-CD2 4.41Å; F309-F311 PolarHBondContact O-N 2.65Å | ||
| 310 | S | 29.8 | Very low | 30.7 | Very low | 96 Ų | 96 | 159.5 Ų | 159.5 | 67% | 0.671 | 82% | 0.815 | S | S | * | * | trans | -81.4 | 102.9 | 179.4 | -75 | 0 | 0 | 0 | 0 | 113.3 | D308 T312 | D308-S310 VanDerWaalsContact C-N 3.34Å; D308-S310 PolarHBondContact O-N 3.04Å; S310-T312 PolarHBondContact O-N 3.38Å | ||
| 311 | F | 26.1 | Very low | 30.8 | Very low | 176 Ų | 176 | 163.8 Ų | 163.8 | 77% | 0.772 | 82% | 0.823 | S | S | * | * | trans | -78.6 | 73.2 | -180 | -121.2 | -81.8 | 0 | 0 | 0 | 113.4 | F309 R313 | F309-F311 HydrophobicContact CD1-CD2 4.41Å; F309-F311 PolarHBondContact O-N 2.65Å; F311-R313 PolarHBondContact O-N 3.06Å | ||
| 312 | T | 31.4 | Very low | 30.8 | Very low | 133 Ų | 133 | 167.7 Ų | 167.7 | 82% | 0.816 | 83% | 0.832 | S | S | * | * | trans | -93.5 | 89.1 | 176 | 49 | 0 | 0 | 0 | 0 | 113.5 | S310 L314 | S310-T312 PolarHBondContact O-N 3.38Å; T312-L314 PolarHBondContact O-N 3.33Å | ||
| 313 | R | 29.2 | Very low | 30.8 | Very low | 195 Ų | 195 | 168.5 Ų | 168.5 | 74% | 0.736 | 83% | 0.829 | S | S | * | * | trans | -59.6 | 114.4 | 166.2 | 175.1 | -160.4 | -60.7 | -165 | -1.6 | 111.5 | F311 | F311-R313 PolarHBondContact O-N 3.06Š| ||
| 314 | L | 32.2 | Very low | 30.5 | Very low | 178 Ų | 178 | 163.6 Ų | 163.6 | 93% | 0.932 | 82% | 0.821 | S | S | * | * | trans | -149.3 | 162.3 | 154.4 | -140.2 | 72.4 | 0 | 0 | 0 | 113.1 | T312 | T312-L314 PolarHBondContact O-N 3.33Š| ||
| 315 | R | 31.1 | Very low | 30.9 | Very low | 239 Ų | 239 | 161.5 Ų | 161.5 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | trans | -131.1 | 110.5 | -158.3 | 176.2 | -166.3 | -166.6 | -179.8 | 6 | 110.3 | ||||
| 316 | R | 31.2 | Very low | 31 | Very low | 246 Ų | 246 | 158.2 Ų | 158.2 | 93% | 0.928 | 81% | 0.808 | S | S | * | * | trans | -158.7 | 127.7 | 164.1 | -134.8 | 174.3 | -167.9 | 158.6 | 3.5 | 112.5 | ||||
| 317 | P | 32.2 | Very low | 31.1 | Very low | 111 Ų | 111 | 158.4 Ų | 158.4 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | trans | -102.6 | -174.9 | 168.9 | 43.4 | -35.6 | 0 | 0 | 0 | 110.1 | ||||
| 318 | P | 33.4 | Very low | 31.3 | Very low | 124 Ų | 124 | 156.9 Ų | 156.9 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | -126.9 | 159.6 | -68.1 | 37.4 | -23.7 | 0 | 0 | 0 | 111.7 | |||||
| 319 | S | 30.5 | Very low | 31.4 | Very low | 121 Ų | 121 | 156.1 Ų | 156.1 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -144.1 | 115.6 | 168.3 | 53.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 320 | K | 31.3 | Very low | 31.7 | Very low | 212 Ų | 212 | 156 Ų | 156 | 92% | 0.922 | 80% | 0.803 | S | S | * | * | trans | -87.7 | 120.7 | 169.9 | -69.4 | -179.8 | 178.1 | -178.7 | 0 | 108.9 | ||||
| 321 | E | 30.4 | Very low | 32.1 | Very low | 199 Ų | 199 | 160.3 Ų | 160.3 | 93% | 0.93 | 81% | 0.813 | S | S | * | * | trans | -144.2 | 114.3 | 147.5 | -75.7 | -165 | 154 | 0 | 0 | 107.9 | ||||
| 322 | E | 31.2 | Very low | 32.3 | Very low | 193 Ų | 193 | 157.3 Ų | 157.3 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | trans | -150 | 137.2 | 158.4 | -160.8 | 158 | -135.9 | 0 | 0 | 107.8 | ||||
| 323 | P | 31.8 | Very low | 32.5 | Very low | 112 Ų | 112 | 159.2 Ų | 159.2 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | -119.6 | -174.6 | -153.6 | 42.9 | -32.1 | 0 | 0 | 0 | 115.4 | ||||
| 324 | S | 28.7 | Very low | 32.4 | Very low | 110 Ų | 110 | 154.2 Ų | 154.2 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | trans | 76.1 | 153.9 | 172.2 | 79.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 325 | I | 36.2 | Very low | 32.4 | Very low | 139 Ų | 139 | 153.3 Ų | 153.3 | 71% | 0.713 | 81% | 0.81 | S | S | * | * | cis | -138.5 | 109.2 | 26.1 | -68.6 | 178.3 | 0 | 0 | 0 | 113 | ||||
| 326 | T | 35.1 | Very low | 32.4 | Very low | 129 Ų | 129 | 150 Ų | 150 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | 64.9 | -178.3 | 144.9 | 83.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 327 | P | 31.8 | Very low | 32.6 | Very low | 111 Ų | 111 | 144.6 Ų | 144.6 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | -132 | 179.2 | -124.9 | 29.7 | -3.1 | 0 | 0 | 0 | 116 | |||||
| 328 | I | 34.7 | Very low | 32.6 | Very low | 161 Ų | 161 | 143.6 Ų | 143.6 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | -178.5 | 142.2 | 135.6 | -94.3 | 153.9 | 0 | 0 | 0 | 110.2 | ||||
| 329 | N | 31.4 | Very low | 32.7 | Very low | 128 Ų | 128 | 141.4 Ų | 141.4 | 68% | 0.684 | 79% | 0.793 | S | S | * | * | trans | -7.1 | 158.3 | 172.8 | -73.6 | 23.6 | 0 | 0 | 0 | 125.5 | ||||
| 330 | E | 36.3 | Very low | 32.8 | Very low | 162 Ų | 162 | 142 Ų | 142 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | trans | 89.7 | 81.5 | 139.8 | -80.7 | 153.4 | -117.9 | 0 | 0 | 121.9 | ||||
| 331 | E | 37.2 | Very low | 33 | Very low | 188 Ų | 188 | 139.5 Ų | 139.5 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | 72.7 | 154.5 | 128.9 | -64.1 | -151.1 | 143.2 | 0 | 0 | 123.3 | |||||
| 332 | P | 31.7 | Very low | 33 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -123.1 | 159.5 | -162.9 | 41.2 | -25.9 | 0 | 0 | 0 | 115.9 | ||||
| 333 | I | 34.9 | Very low | 33.1 | Very low | 173 Ų | 173 | 133 Ų | 133 | 89% | 0.887 | 77% | 0.766 | S | S | * | * | trans | -137.4 | 142.9 | 162.2 | -59.5 | -178.5 | 0 | 0 | 0 | 109 | ||||
| 334 | A | 26.6 | Very low | 33 | Very low | 90 Ų | 90 | 136.5 Ų | 136.5 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | trans | -135.1 | 157.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 335 | L | 33 | Very low | 33.1 | Very low | 159 Ų | 159 | 139.8 Ų | 139.8 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -165.7 | -170.8 | 163.6 | -104.9 | 151.2 | 0 | 0 | 0 | 109.9 | ||||
| 336 | E | 30.4 | Very low | 32.8 | Very low | 171 Ų | 171 | 138.8 Ų | 138.8 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | trans | -155 | -165.6 | -135.5 | -80.1 | 177.5 | 79.8 | 0 | 0 | 113.3 | ||||
| 337 | V | 35.1 | Very low | 32.4 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | 81.2 | 115.6 | 165 | -168.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 338 | A | 33.6 | Very low | 32.5 | Very low | 91 Ų | 91 | 140.4 Ų | 140.4 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | cis | 87.2 | 139.6 | 14.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 339 | A | 34.6 | Very low | 32.4 | Very low | 78 Ų | 78 | 143.4 Ų | 143.4 | 65% | 0.645 | 78% | 0.776 | S | S | * | * | cis | -171.5 | 177.3 | -15.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 340 | T | 32.7 | Very low | 32.3 | Very low | 134 Ų | 134 | 146.1 Ų | 146.1 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | 74.8 | 155.1 | 165.1 | 72.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 341 | E | 36 | Very low | 32 | Very low | 159 Ų | 159 | 143.8 Ų | 143.8 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | cis | -145.2 | 158.8 | 19.5 | -67.3 | -169.3 | 161.8 | 0 | 0 | 116.3 | ||||
| 342 | N | 30.7 | Very low | 31.6 | Very low | 129 Ų | 129 | 139.7 Ų | 139.7 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | trans | 76 | 140.9 | 135.7 | -82.6 | -42.5 | 0 | 0 | 0 | 126.7 | ||||
| 343 | T | 33.6 | Very low | 31.5 | Very low | 126 Ų | 126 | 140 Ų | 140 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | 70.9 | 98.5 | 155.6 | 42.3 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 344 | K | 28.5 | Very low | 31.7 | Very low | 186 Ų | 186 | 141.7 Ų | 141.7 | 81% | 0.809 | 78% | 0.782 | S | S | * | * | 44.8 | 136.6 | 125.4 | -82.9 | -172.3 | 176.1 | -175.9 | 0 | 123 | |||||
| 345 | E | 30.8 | Very low | 31.8 | Very low | 179 Ų | 179 | 145.6 Ų | 145.6 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | 91.7 | 146.4 | 153.7 | -71.4 | 171.9 | -144.7 | 0 | 0 | 119.7 | ||||
| 346 | S | 29.8 | Very low | 32 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 76 | 160.3 | 174.7 | -158 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 347 | L | 27.7 | Very low | 32.1 | Very low | 143 Ų | 143 | 141.4 Ų | 141.4 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | trans | -56.7 | 144.2 | 162.8 | -78.2 | 53 | 0 | 0 | 0 | 109.2 | ||||
| 348 | D | 32.9 | Very low | 32 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | -171.9 | -176.8 | 79.5 | -104.2 | -36.2 | 0 | 0 | 0 | 114.5 | |||||
| 349 | W | 33.6 | Very low | 32.1 | Very low | 224 Ų | 224 | 144.5 Ų | 144.5 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | -6.7 | 113.7 | 170.7 | -87.9 | -93.7 | 0 | 0 | 0 | 122.1 | ||||
| 350 | F | 29.4 | Very low | 31.9 | Very low | 185 Ų | 185 | 146.8 Ų | 146.8 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | 41.1 | 103.4 | 122.8 | -147.1 | -75.2 | 0 | 0 | 0 | 121 | |||||
| 351 | S | 28.5 | Very low | 32.4 | Very low | 114 Ų | 114 | 145.8 Ų | 145.8 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | -167.3 | 151.9 | 122.4 | -128.9 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 352 | P | 30.4 | Very low | 32.5 | Very low | 102 Ų | 102 | 144.2 Ų | 144.2 | 66% | 0.662 | 80% | 0.796 | S | S | * | * | trans | -101.4 | 135.2 | -170.9 | 36.2 | -30.9 | 0 | 0 | 0 | 114.5 | ||||
| 353 | S | 29.3 | Very low | 32.4 | Very low | 119 Ų | 119 | 141.3 Ų | 141.3 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -156.8 | 10.8 | 168.5 | -69.9 | 0 | 0 | 0 | 0 | 116 | E355 | S353-E355 PolarHBondContact O-N 3.4Š| ||
| 354 | E | 37.5 | Very low | 32.5 | Very low | 208 Ų | 208 | 140.7 Ų | 140.7 | 97% | 0.972 | 80% | 0.798 | S | S | * | * | trans | -82.2 | 60.8 | 170.9 | -70.1 | -168.3 | 150.6 | 0 | 0 | 111.6 | ||||
| 355 | E | 30.6 | Very low | 33 | Very low | 171 Ų | 171 | 143.7 Ų | 143.7 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | trans | -89.5 | 153.8 | 161.7 | -163 | 165.5 | -134.1 | 0 | 0 | 108.6 | S353 | S353-E355 PolarHBondContact O-N 3.4Š| ||
| 356 | I | 36.8 | Very low | 33.3 | Very low | 173 Ų | 173 | 140.5 Ų | 140.5 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | trans | 70.8 | 121.9 | -177 | -45.2 | 162.8 | 0 | 0 | 0 | 114 | ||||
| 357 | G | 32.1 | Very low | 33.5 | Very low | 69 Ų | 69 | 139.9 Ų | 139.9 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | 175.3 | 14 | 175.2 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 358 | L | 33.4 | Very low | 33.8 | Very low | 174 Ų | 174 | 139.5 Ų | 139.5 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | trans | 42.1 | 103.9 | 160.5 | -56.8 | 173.4 | 0 | 0 | 0 | 119 | ||||
| 359 | S | 35.9 | Very low | 33.8 | Very low | 113 Ų | 113 | 139 Ų | 139 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | 163.6 | 140 | 91.6 | -163.6 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 360 | T | 29.9 | Very low | 33.7 | Very low | 126 Ų | 126 | 134 Ų | 134 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -50.1 | 170.5 | 170.9 | 30 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 361 | P | 42.8 | Very low | 33.8 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | trans | -108.1 | -114.8 | -156.2 | 40.7 | -29.1 | 0 | 0 | 0 | 112.5 | ||||
| 362 | P | 37.3 | Very low | 34 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | -109.8 | -175.1 | -60.5 | 37.5 | -24.5 | 0 | 0 | 0 | 113.2 | |||||
| 363 | G | 30 | Very low | 34.2 | Very low | 68 Ų | 68 | 134 Ų | 134 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | -157.1 | 116.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 364 | S | 36.2 | Very low | 34.2 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | 58.1 | 108.4 | 148.7 | 61.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 365 | R | 38.3 | Very low | 34 | Very low | 248 Ų | 248 | 129.3 Ų | 129.3 | 94% | 0.936 | 78% | 0.779 | S | S | * | * | -79.1 | 150.6 | 115.8 | -69.8 | -175.3 | 172 | -149.6 | 0 | 107.8 | |||||
| 366 | P | 36.4 | Very low | 34.3 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | -153.8 | 175.3 | 89.6 | 40.3 | -22.6 | 0 | 0 | 0 | 115.1 | |||||
| 367 | S | 35.7 | Very low | 34.2 | Very low | 104 Ų | 104 | 125.4 Ų | 125.4 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | 156.5 | 102.3 | 130 | -68.5 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 368 | T | 33.4 | Very low | 34.3 | Very low | 136 Ų | 136 | 132 Ų | 132 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | trans | 23.2 | 155.4 | 137.3 | 39.8 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 369 | P | 32 | Very low | 34.4 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | -104.8 | 174.6 | -166.5 | 42.8 | -37.4 | 0 | 0 | 0 | 115.5 | ||||
| 370 | C | 32.2 | Very low | 34.5 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -159.3 | 139 | 144.8 | -99.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 371 | P | 31.8 | Very low | 34.8 | Very low | 123 Ų | 123 | 132.1 Ų | 132.1 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | trans | -82 | 161.4 | 158.9 | 35.5 | -32.5 | 0 | 0 | 0 | 110.7 | ||||
| 372 | L | 31.4 | Very low | 34.4 | Very low | 151 Ų | 151 | 132.1 Ų | 132.1 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | -137.1 | 167.1 | 179.5 | -148.2 | 73.6 | 0 | 0 | 0 | 111.8 | ||||
| 373 | D | 34.2 | Very low | 34.5 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 67% | 0.668 | 76% | 0.761 | S | S | * | * | trans | 76.2 | 124.8 | 169 | -59 | -50.1 | 0 | 0 | 0 | 117.7 | ||||
| 374 | S | 31.3 | Very low | 34.8 | Very low | 90 Ų | 90 | 135 Ų | 135 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | cis | 85.4 | 145 | 32.7 | 96.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 375 | L | 33.3 | Very low | 34.7 | Very low | 140 Ų | 140 | 132.6 Ų | 132.6 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | cis | -151.8 | -160.1 | 5.6 | -137.1 | 164.8 | 0 | 0 | 0 | 110.4 | ||||
| 376 | D | 35.6 | Very low | 34.6 | Very low | 133 Ų | 133 | 127.8 Ų | 127.8 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | 70.9 | 147.9 | 161.7 | -58.9 | -15.2 | 0 | 0 | 0 | 121.9 | ||||
| 377 | E | 35.9 | Very low | 34.6 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 60% | 0.603 | 76% | 0.757 | S | S | * | * | cis | -162.2 | 168.8 | -46.4 | -129 | -155.3 | 145 | 0 | 0 | 112.1 | ||||
| 378 | R | 33.3 | Very low | 34.6 | Very low | 208 Ų | 208 | 132.5 Ų | 132.5 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | trans | 63.1 | 102.2 | 158.2 | -67.1 | 169.7 | -150 | -119.1 | -13.1 | 121.4 | ||||
| 379 | F | 35.1 | Very low | 34.6 | Very low | 204 Ų | 204 | 133 Ų | 133 | 90% | 0.895 | 75% | 0.752 | S | S | * | * | trans | -73.3 | 157.5 | 135.5 | -87.2 | -87.9 | 0 | 0 | 0 | 110.3 | ||||
| 380 | P | 37.9 | Very low | 34.7 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | -143.6 | -176.4 | 82.5 | 42.9 | -25.5 | 0 | 0 | 0 | 112.7 | |||||
| 381 | S | 36.8 | Very low | 34.7 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | cis | -158.6 | 153.5 | 5.3 | 2.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 382 | S | 35 | Very low | 34.7 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | 49.3 | 122.1 | 141 | -50.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 383 | P | 39.7 | Very low | 34.7 | Very low | 129 Ų | 129 | 137.8 Ų | 137.8 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | trans | -105.9 | 162 | 165.5 | 39.4 | -32.2 | 0 | 0 | 0 | 113.8 | ||||
| 384 | S | 34.6 | Very low | 34.6 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 87% | 0.867 | 75% | 0.745 | S | S | * | * | trans | -164 | 138.8 | 162.3 | 64 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 385 | G | 35.5 | Very low | 34.8 | Very low | 63 Ų | 63 | 140.4 Ų | 140.4 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | trans | 111.9 | 103.2 | 142.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 386 | N | 36 | Very low | 34.6 | Very low | 147 Ų | 147 | 145.1 Ų | 145.1 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | 61.4 | 144.5 | 118.6 | -64.9 | -13.6 | 0 | 0 | 0 | 120.5 | |||||
| 387 | R | 35 | Very low | 34.5 | Very low | 205 Ų | 205 | 143 Ų | 143 | 77% | 0.774 | 77% | 0.766 | S | S | * | * | cis | -166.5 | 161.3 | 6.8 | -125.2 | 175.7 | -170.1 | 179.1 | 0.7 | 111 | ||||
| 388 | T | 37 | Very low | 34.4 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 68% | 0.681 | 78% | 0.776 | S | S | * | * | trans | 54 | 130.6 | 152.4 | 52.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 389 | D | 32 | Very low | 34.4 | Very low | 147 Ų | 147 | 142.5 Ų | 142.5 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | cis | 105 | 158.4 | 29 | -78.5 | -56.1 | 0 | 0 | 0 | 114.4 | ||||
| 390 | E | 35.8 | Very low | 34.3 | Very low | 171 Ų | 171 | 140.7 Ų | 140.7 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | trans | 87.3 | 119.1 | 176.3 | -50.4 | -149.7 | 169.7 | 0 | 0 | 116.3 | ||||
| 391 | T | 32.4 | Very low | 34.2 | Very low | 106 Ų | 106 | 144 Ų | 144 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | cis | 76.7 | 144.5 | 37.5 | 86.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 392 | R | 30 | Very low | 34 | Very low | 219 Ų | 219 | 150.1 Ų | 150.1 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | cis | -165.3 | 166.7 | 6.7 | -134.1 | 171.6 | 172.1 | 171 | -4.1 | 111.7 | ||||
| 393 | V | 33.4 | Very low | 33.9 | Very low | 117 Ų | 117 | 149.9 Ų | 149.9 | 71% | 0.709 | 78% | 0.78 | S | S | * | * | trans | 75.4 | 126.3 | 142 | 157.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 394 | S | 30.6 | Very low | 33.5 | Very low | 100 Ų | 100 | 148.7 Ų | 148.7 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | 2.4 | 152.5 | 143.5 | -36.2 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 395 | L | 35.8 | Very low | 33.5 | Very low | 171 Ų | 171 | 149.6 Ų | 149.6 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | -160.9 | 159 | 99.9 | -103.4 | 169.1 | 0 | 0 | 0 | 114 | |||||
| 396 | R | 28.6 | Very low | 33.5 | Very low | 238 Ų | 238 | 152.1 Ų | 152.1 | 90% | 0.898 | 77% | 0.774 | S | S | * | * | trans | -96.6 | 149.9 | 170.2 | -72.5 | 171.8 | 165.4 | 165.5 | -6.4 | 109.4 | ||||
| 397 | A | 33.4 | Very low | 33.5 | Very low | 88 Ų | 88 | 153.8 Ų | 153.8 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | 171.7 | 153.6 | 116.8 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 398 | S | 35.4 | Very low | 33.4 | Very low | 116 Ų | 116 | 153.1 Ų | 153.1 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | 67.6 | 154.5 | 153.8 | -62.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 399 | R | 33.3 | Very low | 33.2 | Very low | 211 Ų | 211 | 157.5 Ų | 157.5 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | cis | -168.5 | 126.7 | -43.4 | -143.9 | -176.7 | 178.5 | -168.3 | 0.9 | 109.2 | ||||
| 400 | Q | 33.2 | Very low | 33.4 | Very low | 166 Ų | 166 | 160.8 Ų | 160.8 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | 61.3 | 146.2 | 169.1 | -61.2 | 151.3 | -83.4 | 0 | 0 | 114.5 | ||||
| 401 | K | 35.3 | Very low | 33.5 | Very low | 183 Ų | 183 | 157.3 Ų | 157.3 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | cis | -168.6 | 123.8 | 37.3 | -174.8 | 180 | -178.6 | -178.1 | 0 | 111 | ||||
| 402 | R | 32.5 | Very low | 33.6 | Very low | 225 Ų | 225 | 162 Ų | 162 | 85% | 0.849 | 79% | 0.789 | S | S | * | * | trans | 48 | 129.5 | 154.4 | -62.2 | -174.9 | 174.7 | 174.8 | -2.2 | 122.8 | ||||
| 403 | S | 32.1 | Very low | 33.9 | Very low | 111 Ų | 111 | 154.4 Ų | 154.4 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | 63.6 | 116.9 | 138.6 | 60.1 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 404 | A | 32.3 | Very low | 34.1 | Very low | 103 Ų | 103 | 154.5 Ų | 154.5 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | trans | 56.9 | 148.6 | 146.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 405 | D | 33.8 | Very low | 34.4 | Very low | 143 Ų | 143 | 153.7 Ų | 153.7 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | cis | -155.2 | -179.4 | 11.3 | -160.6 | 8.8 | 0 | 0 | 0 | 112.1 | ||||
| 406 | L | 35.7 | Very low | 34.3 | Very low | 116 Ų | 116 | 153.5 Ų | 153.5 | 61% | 0.607 | 78% | 0.783 | S | S | * | * | trans | -6.4 | 118.3 | 168.6 | -69.4 | 160.9 | 0 | 0 | 0 | 122.2 | ||||
| 407 | K | 36.4 | Very low | 34.5 | Very low | 183 Ų | 183 | 147.5 Ų | 147.5 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | 70.9 | 137.3 | 129.1 | -66.2 | 173.7 | -178.1 | 159.6 | 0 | 122.6 | |||||
| 408 | F | 31.6 | Very low | 34.8 | Very low | 191 Ų | 191 | 153 Ų | 153 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | 116.8 | 133.5 | 129.4 | -135.6 | -109.9 | 0 | 0 | 0 | 119.1 | |||||
| 409 | R | 34.4 | Very low | 34.8 | Very low | 202 Ų | 202 | 156 Ų | 156 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | 84.8 | 109.8 | 150.2 | -142.2 | 178.7 | -173.5 | -157.9 | -0.1 | 121.8 | ||||
| 410 | R | 36.2 | Very low | 35 | Very low | 217 Ų | 217 | 153.2 Ų | 153.2 | 82% | 0.819 | 78% | 0.784 | S | S | * | * | trans | 156.7 | 123.4 | 131.3 | -83.3 | 163.8 | -165.5 | -103.2 | 8 | 107.6 | ||||
| 411 | S | 36.5 | Very low | 35.1 | Very low | 97 Ų | 97 | 148.9 Ų | 148.9 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | 78.3 | 137.8 | 50.6 | 79.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 412 | F | 35.5 | Very low | 35.2 | Very low | 204 Ų | 204 | 147.7 Ų | 147.7 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | cis | -166.7 | 166.8 | 15.3 | -160.6 | -106.5 | 0 | 0 | 0 | 113.8 | ||||
| 413 | G | 35.4 | Very low | 35.8 | Very low | 61 Ų | 61 | 142 Ų | 142 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | trans | 85.5 | 157.4 | 160.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 414 | S | 38.4 | Very low | 36 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | cis | -176.4 | 167.2 | -9.8 | -87.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 415 | A | 37.3 | Very low | 36.3 | Very low | 83 Ų | 83 | 142.8 Ų | 142.8 | 69% | 0.686 | 77% | 0.766 | S | S | * | * | cis | -158.2 | 158.5 | -13.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 416 | I | 33.4 | Very low | 36.9 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | cis | 90.3 | 93.2 | 24 | -56.1 | 164.8 | 0 | 0 | 0 | 114.8 | ||||
| 417 | S | 32 | Very low | 37.1 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | 176.6 | 168.8 | 144 | -164.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 418 | K | 39.1 | Very low | 37.1 | Very low | 203 Ų | 203 | 138.7 Ų | 138.7 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | 76.1 | 97.4 | -175.1 | -59.7 | -175.1 | 179.3 | -177.5 | 0 | 116.1 | ||||
| 419 | F | 35.4 | Very low | 37.3 | Very low | 181 Ų | 181 | 133.1 Ų | 133.1 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | cis | 108.2 | 103.2 | 3.1 | -136.1 | -96.2 | 0 | 0 | 0 | 117 | ||||
| 420 | L | 38.6 | Very low | 37.4 | Very low | 151 Ų | 151 | 127.4 Ų | 127.4 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | 73.9 | 142.4 | 161.9 | -67.3 | 175.8 | 0 | 0 | 0 | 123 | ||||
| 421 | G | 34.8 | Very low | 37.3 | Very low | 76 Ų | 76 | 122.4 Ų | 122.4 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | trans | 165.2 | 100 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 422 | L | 36.9 | Very low | 37.2 | Very low | 157 Ų | 157 | 124.3 Ų | 124.3 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | -145.6 | 169.9 | -176.6 | -90.7 | 165.9 | 0 | 0 | 0 | 108.7 | ||||
| 423 | P | 45 | Very low | 37.3 | Very low | 107 Ų | 107 | 124 Ų | 124 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | cis | -118.8 | -136.1 | -5.7 | 27.4 | -1.5 | 0 | 0 | 0 | 110 | ||||
| 424 | D | 36.9 | Very low | 37.5 | Very low | 136 Ų | 136 | 127 Ų | 127 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | cis | -156.4 | -145.5 | -2 | -146 | -55.8 | 0 | 0 | 0 | 113 | ||||
| 425 | S | 37.9 | Very low | 37.5 | Very low | 93 Ų | 93 | 132.4 Ų | 132.4 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | trans | -163.3 | -167.5 | -157.1 | 68.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 426 | P | 47.4 | Very low | 37.5 | Very low | 110 Ų | 110 | 138.7 Ų | 138.7 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | cis | -132.6 | -172.4 | -37.8 | 27.1 | -5.1 | 0 | 0 | 0 | 114.2 | ||||
| 427 | T | 39.2 | Very low | 37.8 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | trans | 120.5 | 108.1 | 136.6 | -43.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 428 | S | 36.9 | Very low | 38.3 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | 31.7 | 139.4 | 138.2 | -155.8 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 429 | G | 35.6 | Very low | 38.2 | Very low | 73 Ų | 73 | 131 Ų | 131 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | 142 | 94.2 | 126.8 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 430 | G | 36.2 | Very low | 38.4 | Very low | 83 Ų | 83 | 125.8 Ų | 125.8 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | trans | 66.4 | -176.4 | 151.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 431 | S | 34.6 | Very low | 38.5 | Very low | 111 Ų | 111 | 125.2 Ų | 125.2 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | cis | -168.4 | 154.1 | -33.6 | -162.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 432 | L | 35 | Very low | 38.6 | Very low | 138 Ų | 138 | 132.4 Ų | 132.4 | 72% | 0.723 | 77% | 0.77 | S | S | * | * | trans | 70.3 | 118.4 | 149.1 | -118.1 | 76.1 | 0 | 0 | 0 | 124.5 | ||||
| 433 | R | 36.6 | Very low | 38.6 | Very low | 196 Ų | 196 | 129.2 Ų | 129.2 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | 66.2 | 164.1 | 126.8 | -87.9 | -174.7 | 173.2 | -161.8 | 10.4 | 121.2 | |||||
| 434 | Q | 40.5 | Very low | 38.4 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 59% | 0.589 | 77% | 0.766 | S | S | * | * | cis | -157.7 | 177.6 | -4.2 | -141.8 | 167.7 | -16.7 | 0 | 0 | 113.8 | ||||
| 435 | R | 37.4 | Very low | 38.7 | Very low | 231 Ų | 231 | 129.3 Ų | 129.3 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | trans | 85.2 | 151.7 | 164.1 | -71.1 | -174.4 | 165.2 | -145.7 | -1.2 | 117.5 | ||||
| 436 | R | 37.5 | Very low | 38.7 | Very low | 215 Ų | 215 | 130 Ų | 130 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | cis | 163.4 | 151.5 | -35.7 | -105.6 | -159.4 | 174.5 | 176.4 | -1.8 | 107.8 | ||||
| 437 | S | 40.7 | Very low | 38.2 | Very low | 87 Ų | 87 | 130.5 Ų | 130.5 | 61% | 0.608 | 77% | 0.774 | S | S | * | * | cis | 179.3 | 105.7 | -31.4 | 49.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 438 | T | 41.2 | Very low | 38 | Very low | 153 Ų | 153 | 130 Ų | 130 | 94% | 0.939 | 77% | 0.773 | S | S | * | * | trans | -155.4 | 157.6 | 172.2 | 22.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 439 | G | 38 | Very low | 37.7 | Very low | 81 Ų | 81 | 128.8 Ų | 128.8 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | cis | -161 | -91.4 | -0.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 440 | G | 39.1 | Very low | 37.4 | Very low | 71 Ų | 71 | 130.7 Ų | 130.7 | 73% | 0.732 | 76% | 0.762 | S | S | * | * | trans | -174.6 | 167.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 441 | T | 41 | Very low | 37.1 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | cis | -141.4 | 179.7 | -2.7 | 61.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 442 | R | 37.3 | Very low | 36.8 | Very low | 227 Ų | 227 | 137.3 Ų | 137.3 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | cis | -150.3 | -135.2 | 15.5 | -156.2 | -170.5 | 177.3 | -168 | -1.7 | 110.9 | ||||
| 443 | S | 36.9 | Very low | 36.6 | Very low | 90 Ų | 90 | 138.2 Ų | 138.2 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | trans | -65.3 | 149.2 | 174.8 | 46.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 444 | V | 39.8 | Very low | 36.3 | Very low | 133 Ų | 133 | 136.5 Ų | 136.5 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | cis | -152.7 | 154.7 | -7.1 | 121.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 445 | P | 43.4 | Very low | 35.8 | Very low | 112 Ų | 112 | 141.8 Ų | 141.8 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -101.2 | -162.3 | -151.2 | 43.4 | -39.6 | 0 | 0 | 0 | 113.8 | ||||
| 446 | P | 39.4 | Very low | 35.4 | Very low | 108 Ų | 108 | 138 Ų | 138 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | -131.4 | 175.1 | -83 | 41.4 | -26.1 | 0 | 0 | 0 | 113.7 | |||||
| 447 | S | 35.9 | Very low | 35.3 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | 178.9 | 135.8 | 122.1 | -78.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 448 | P | 35 | Very low | 34.8 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | trans | -112.3 | -177 | -179.4 | 42.6 | -34.9 | 0 | 0 | 0 | 113.6 | ||||
| 449 | S | 29.7 | Very low | 34.5 | Very low | 98 Ų | 98 | 136.3 Ų | 136.3 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | trans | 52.9 | 102.6 | 144.8 | -67.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 450 | T | 29.9 | Very low | 34.2 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 69% | 0.687 | 77% | 0.767 | S | S | * | * | 66.8 | 126.1 | 78.7 | 68.3 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 451 | K | 30 | Very low | 33.8 | Very low | 190 Ų | 190 | 142.6 Ų | 142.6 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | trans | 81.3 | 150.5 | 144 | -68.9 | 163.2 | 179.3 | 179.8 | 0 | 121.3 | ||||
| 452 | L | 27.8 | Very low | 33.6 | Very low | 144 Ų | 144 | 143.8 Ų | 143.8 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | 84.4 | 155.7 | 149.2 | -97.5 | 146.9 | 0 | 0 | 0 | 119.7 | ||||
| 453 | L | 32.4 | Very low | 33.5 | Very low | 156 Ų | 156 | 140.4 Ų | 140.4 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | trans | 66 | 108.8 | -168.3 | -48.3 | -179.6 | 0 | 0 | 0 | 113.1 | ||||
| 454 | Q | 29.8 | Very low | 33.3 | Very low | 161 Ų | 161 | 138.9 Ų | 138.9 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | cis | 64.5 | 92.9 | 9.8 | -164.2 | 168 | -2.7 | 0 | 0 | 116.3 | ||||
| 455 | R | 29.9 | Very low | 33.2 | Very low | 237 Ų | 237 | 143.8 Ų | 143.8 | 89% | 0.894 | 77% | 0.766 | S | S | * | * | trans | -81.7 | 141.4 | 134.2 | -98.2 | -178 | 176.9 | 155 | -1.7 | 107.3 | ||||
| 456 | E | 29.4 | Very low | 32.7 | Very low | 151 Ų | 151 | 144 Ų | 144 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | cis | 71 | 127.7 | 14.8 | -138.8 | -174.8 | -118.2 | 0 | 0 | 115.8 | ||||
| 457 | L | 33.9 | Very low | 32.4 | Very low | 134 Ų | 134 | 142.4 Ų | 142.4 | 70% | 0.702 | 77% | 0.766 | S | S | * | * | trans | 64 | 100.7 | 178.2 | -60.7 | 158.8 | 0 | 0 | 0 | 114.8 | ||||
| 458 | E | 31.5 | Very low | 32.2 | Very low | 180 Ų | 180 | 144.5 Ų | 144.5 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | 87.5 | 159.7 | 59.4 | -72 | -177 | -172.1 | 0 | 0 | 114.8 | |||||
| 459 | A | 33.4 | Very low | 31.9 | Very low | 106 Ų | 106 | 147.6 Ų | 147.6 | 88% | 0.876 | 77% | 0.765 | S | S | * | * | trans | -11.9 | 140.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 460 | G | 32.8 | Very low | 32 | Very low | 66 Ų | 66 | 148.2 Ų | 148.2 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | cis | 131.3 | 167.1 | 6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 461 | R | 31.4 | Very low | 31.9 | Very low | 218 Ų | 218 | 148.1 Ų | 148.1 | 82% | 0.823 | 77% | 0.767 | S | S | * | * | trans | 67.2 | 157.1 | -179 | -55.9 | 175.9 | -171.2 | -106.2 | 5.4 | 113.5 | ||||
| 462 | H | 36.6 | Very low | 32 | Very low | 163 Ų | 163 | 143.7 Ų | 143.7 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | cis | -161.3 | 150.7 | -11.2 | -115.5 | -29.6 | 0 | 0 | 0 | 108.2 | ||||
| 463 | I | 34.4 | Very low | 32.3 | Very low | 156 Ų | 156 | 142.9 Ų | 142.9 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | trans | 58.3 | 132.8 | 149.3 | -56.7 | 162.3 | 0 | 0 | 0 | 117.2 | ||||
| 464 | G | 33.6 | Very low | 32.6 | Very low | 58 Ų | 58 | 141.1 Ų | 141.1 | 60% | 0.598 | 76% | 0.759 | S | S | * | * | cis | 150.4 | -172.2 | 6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 465 | R | 38 | Very low | 32.7 | Very low | 236 Ų | 236 | 138.7 Ų | 138.7 | 89% | 0.891 | 76% | 0.76 | S | S | * | * | trans | 75.4 | 129.6 | -170.6 | -49.6 | -178.4 | 176.6 | -172.4 | -2.3 | 112.5 | ||||
| 466 | S | 32.3 | Very low | 32.8 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | cis | 73.3 | 137.1 | 26.6 | -42.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 467 | A | 33.1 | Very low | 32.9 | Very low | 74 Ų | 74 | 136.2 Ų | 136.2 | 61% | 0.612 | 75% | 0.751 | S | S | * | * | cis | -162.4 | 152.1 | -4.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 468 | E | 31 | Very low | 32.7 | Very low | 163 Ų | 163 | 137.5 Ų | 137.5 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | trans | 65.5 | 169.1 | 142.5 | -65.5 | 163.5 | -160.1 | 0 | 0 | 122 | ||||
| 469 | F | 30.1 | Very low | 32.8 | Very low | 179 Ų | 179 | 133.2 Ų | 133.2 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | 66.1 | 139.1 | 171.1 | -70.6 | -95.1 | 0 | 0 | 0 | 120.2 | ||||
| 470 | V | 30.1 | Very low | 32.7 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 68% | 0.679 | 74% | 0.743 | S | S | * | * | cis | -171 | 155.2 | -32.7 | 108.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 471 | C | 28.9 | Very low | 32.8 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | trans | 63.2 | 139 | 159.1 | -83.2 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 472 | S | 32.5 | Very low | 33 | Very low | 98 Ų | 98 | 132.7 Ų | 132.7 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | trans | 63.4 | 107.8 | 137.7 | -52.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 473 | T | 33 | Very low | 32.9 | Very low | 127 Ų | 127 | 133 Ų | 133 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | 49.1 | 147.4 | 64.7 | 78.5 | 0 | 0 | 0 | 0 | 116 | |||||
| 474 | P | 38.9 | Very low | 32.8 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 77% | 0.766 | 74% | 0.739 | S | S | * | * | -138.9 | 168.9 | -56.1 | 39.3 | -23.7 | 0 | 0 | 0 | 112.6 | |||||
| 475 | S | 31.6 | Very low | 32.9 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | trans | -161.6 | 134.9 | 165.8 | 44 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 476 | Y | 32.1 | Very low | 32.7 | Very low | 200 Ų | 200 | 128.7 Ų | 128.7 | 78% | 0.784 | 73% | 0.734 | S | S | * | * | trans | 57.4 | 102.4 | 138.3 | -78.7 | -104.2 | 0 | 0 | 0 | 122.8 | ||||
| 477 | Q | 31.5 | Very low | 32.8 | Very low | 136 Ų | 136 | 130.7 Ų | 130.7 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | 54.1 | 118.6 | 112.1 | -73.6 | -175 | -46.9 | 0 | 0 | 122.6 | |||||
| 478 | Q | 30.2 | Very low | 33 | Very low | 162 Ų | 162 | 133.3 Ų | 133.3 | 76% | 0.757 | 73% | 0.733 | S | S | * | * | 73.5 | 160 | 124.8 | -66.8 | 178 | -83 | 0 | 0 | 121.5 | |||||
| 479 | A | 33.2 | Very low | 33.4 | Very low | 89 Ų | 89 | 131.9 Ų | 131.9 | 74% | 0.736 | 74% | 0.736 | S | S | * | * | trans | 68.6 | 147.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 480 | E | 31 | Very low | 33.6 | Very low | 163 Ų | 163 | 126.8 Ų | 126.8 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | cis | -177.2 | 150.6 | -40.6 | -118.4 | 177.3 | 135.2 | 0 | 0 | 108.7 | ||||
| 481 | I | 36.2 | Very low | 33.9 | Very low | 140 Ų | 140 | 129.3 Ų | 129.3 | 72% | 0.718 | 74% | 0.742 | S | S | * | * | trans | 67.8 | 161.4 | 146.8 | -68.8 | 165.6 | 0 | 0 | 0 | 118.8 | ||||
| 482 | A | 35.4 | Very low | 34.3 | Very low | 76 Ų | 76 | 128 Ų | 128 | 63% | 0.628 | 74% | 0.739 | S | S | * | * | trans | 71 | 125.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 483 | E | 34.1 | Very low | 34.4 | Very low | 169 Ų | 169 | 131.4 Ų | 131.4 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | cis | 73.7 | 140.5 | 48 | -60.8 | 173.3 | 137.3 | 0 | 0 | 111.9 | ||||
| 484 | E | 33.1 | Very low | 34.7 | Very low | 176 Ų | 176 | 128.5 Ų | 128.5 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | cis | -154.5 | -169.9 | 9.1 | -139.8 | -176.9 | 166.2 | 0 | 0 | 111.4 | ||||
| 485 | A | 35 | Very low | 34.6 | Very low | 88 Ų | 88 | 132.6 Ų | 132.6 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | 69.7 | 129.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 486 | S | 32.8 | Very low | 35 | Very low | 96 Ų | 96 | 132.3 Ų | 132.3 | 67% | 0.671 | 74% | 0.74 | S | S | * | * | cis | 66.2 | 145.4 | 35.6 | -126.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 487 | E | 35 | Very low | 35.3 | Very low | 159 Ų | 159 | 130.9 Ų | 130.9 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | cis | -168.1 | -170.2 | 17.1 | -152 | 161.2 | -98.6 | 0 | 0 | 112.3 | ||||
| 488 | I | 38.5 | Very low | 35.7 | Very low | 129 Ų | 129 | 128.9 Ų | 128.9 | 66% | 0.662 | 74% | 0.739 | S | S | * | * | trans | 78.1 | 96.2 | 151.4 | -69.2 | 173.3 | 0 | 0 | 0 | 120.4 | ||||
| 489 | T | 37.6 | Very low | 36.1 | Very low | 134 Ų | 134 | 128.2 Ų | 128.2 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | 48 | 155.1 | 129.9 | 74.6 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 490 | G | 34.6 | Very low | 36.4 | Very low | 71 Ų | 71 | 130.9 Ų | 130.9 | 73% | 0.732 | 74% | 0.738 | S | S | * | * | trans | -165.3 | 10.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 491 | I | 37.4 | Very low | 36.8 | Very low | 166 Ų | 166 | 126.6 Ų | 126.6 | 85% | 0.851 | 74% | 0.738 | S | S | * | * | trans | 71.9 | 146.1 | 156.3 | -64.4 | 164.4 | 0 | 0 | 0 | 120.9 | ||||
| 492 | A | 36.6 | Very low | 37 | Very low | 81 Ų | 81 | 124.4 Ų | 124.4 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | trans | 67.5 | 123.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 493 | D | 34.9 | Very low | 37.2 | Very low | 170 Ų | 170 | 128 Ų | 128 | 91% | 0.909 | 75% | 0.749 | S | S | * | * | cis | 91.4 | 126.1 | 36.2 | -73 | -48.9 | 0 | 0 | 0 | 115.1 | ||||
| 494 | G | 38.7 | Very low | 37.5 | Very low | 65 Ų | 65 | 131.6 Ų | 131.6 | 67% | 0.67 | 76% | 0.756 | S | S | * | * | trans | 169.3 | 70.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 495 | F | 37.1 | Very low | 37.6 | Very low | 204 Ų | 204 | 132.9 Ų | 132.9 | 90% | 0.895 | 76% | 0.758 | S | S | * | * | trans | 63.4 | 158.1 | 156.7 | -68.9 | -103.2 | 0 | 0 | 0 | 121 | ||||
| 496 | D | 39.8 | Very low | 37.8 | Very low | 104 Ų | 104 | 133.7 Ų | 133.7 | 56% | 0.556 | 76% | 0.759 | S | S | * | * | cis | -173.3 | 156.5 | -38.8 | -165 | 1.8 | 0 | 0 | 0 | 110.3 | ||||
| 497 | K | 39.8 | Very low | 38.1 | Very low | 170 Ų | 170 | 135.2 Ų | 135.2 | 74% | 0.739 | 76% | 0.764 | S | S | * | * | trans | 63.1 | 152.7 | 161.1 | -81.4 | 145.9 | -170.1 | 145 | 0 | 118.8 | ||||
| 498 | S | 38.6 | Very low | 38.1 | Very low | 95 Ų | 95 | 133.9 Ų | 133.9 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | cis | -175.8 | 164.5 | -17.5 | -122 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 499 | Q | 39.9 | Very low | 38 | Very low | 147 Ų | 147 | 131.6 Ų | 131.6 | 69% | 0.687 | 77% | 0.767 | S | S | * | * | cis | -166.5 | 163 | -5.3 | -147.8 | 176.8 | 95.7 | 0 | 0 | 109.9 | ||||
| 500 | N | 38.4 | Very low | 38 | Very low | 145 Ų | 145 | 132.6 Ų | 132.6 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | trans | 66 | 139.9 | 162.7 | -54.6 | -39.2 | 0 | 0 | 0 | 118.1 | ||||
| 501 | G | 39 | Very low | 37.9 | Very low | 74 Ų | 74 | 136 Ų | 136 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | cis | -173.6 | 176.4 | -4.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 502 | A | 41.5 | Very low | 37.7 | Very low | 94 Ų | 94 | 135.7 Ų | 135.7 | 78% | 0.777 | 77% | 0.766 | S | S | * | * | cis | -155.7 | 151.3 | 1.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 503 | N | 39.3 | Very low | 37.4 | Very low | 150 Ų | 150 | 139.3 Ų | 139.3 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | trans | 9.2 | 133.6 | 157.1 | -62.8 | -38.2 | 0 | 0 | 0 | 120 | ||||
| 504 | R | 40 | Very low | 37.4 | Very low | 246 Ų | 246 | 135.9 Ų | 135.9 | 93% | 0.928 | 76% | 0.761 | S | S | * | * | -153.8 | 163.7 | 65.7 | -84.6 | 176.7 | 174.9 | 177.9 | -1.8 | 113.9 | |||||
| 505 | K | 36.1 | Very low | 37.3 | Very low | 202 Ų | 202 | 143 Ų | 143 | 88% | 0.878 | 77% | 0.767 | S | S | * | * | trans | -126 | 148.2 | 178.9 | -59.9 | 177.3 | 179.3 | 179.2 | 0 | 111.6 | ||||
| 506 | S | 37.9 | Very low | 37.4 | Very low | 106 Ų | 106 | 140.4 Ų | 140.4 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | trans | -168.7 | 118.6 | 154.9 | 52.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 507 | T | 38.6 | Very low | 37.3 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | 83.9 | 92 | 100.6 | -54 | 0 | 0 | 0 | 0 | 112 | |||||
| 508 | V | 36.4 | Very low | 37.1 | Very low | 132 Ų | 132 | 141.5 Ų | 141.5 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | 87.5 | 110.7 | 82.9 | 166.3 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 509 | A | 34.9 | Very low | 37.1 | Very low | 81 Ų | 81 | 144 Ų | 144 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | trans | 45.8 | 140.8 | 139.2 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 510 | I | 37.8 | Very low | 37.1 | Very low | 154 Ų | 154 | 144 Ų | 144 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | 79.8 | 131 | 146.5 | -69.3 | 158.9 | 0 | 0 | 0 | 119.4 | ||||
| 511 | N | 33.3 | Very low | 37.1 | Very low | 143 Ų | 143 | 142.9 Ų | 142.9 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | trans | 17.9 | 132.3 | 158.2 | -62.8 | -22.4 | 0 | 0 | 0 | 120.9 | ||||
| 512 | L | 33 | Very low | 37 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | -175.9 | 128.8 | 103.3 | -97 | 163 | 0 | 0 | 0 | 114.9 | |||||
| 513 | M | 30.7 | Very low | 36.8 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | 43.9 | 129.9 | 137.5 | -73.1 | -76.5 | -85.1 | 0 | 0 | 124 | ||||
| 514 | S | 34.3 | Very low | 36.4 | Very low | 98 Ų | 98 | 143.5 Ų | 143.5 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | trans | 72.5 | 134.2 | 147.3 | 77 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 515 | R | 36.7 | Very low | 36.1 | Very low | 214 Ų | 214 | 135.5 Ų | 135.5 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | -163.5 | 148.7 | 58 | -81.5 | 178.3 | 173.6 | -173.8 | -4.6 | 112.8 | |||||
| 516 | L | 39 | Very low | 35.9 | Very low | 151 Ų | 151 | 130 Ų | 130 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | trans | 48.4 | 154.1 | 137.8 | -56 | 169 | 0 | 0 | 0 | 121.4 | ||||
| 517 | N | 37.3 | Very low | 35.6 | Very low | 128 Ų | 128 | 132.9 Ų | 132.9 | 68% | 0.684 | 75% | 0.747 | S | S | * | * | cis | -175.2 | 169.9 | -37.7 | -143.9 | -11.5 | 0 | 0 | 0 | 107.3 | ||||
| 518 | F | 37.6 | Very low | 35.5 | Very low | 169 Ų | 169 | 130.3 Ų | 130.3 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | trans | 67.5 | 138 | 179.8 | -59.9 | -94.2 | 0 | 0 | 0 | 115.9 | ||||
| 519 | Q | 37.7 | Very low | 35.1 | Very low | 146 Ų | 146 | 129.6 Ų | 129.6 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | cis | -166 | 166.1 | -29.2 | -117.2 | -179.2 | 53.8 | 0 | 0 | 104.6 | ||||
| 520 | K | 40.4 | Very low | 35 | Very low | 149 Ų | 149 | 135 Ų | 135 | 65% | 0.648 | 76% | 0.755 | S | S | * | * | cis | -149.8 | -174.5 | 12 | -132.8 | 170 | 170.8 | -75.4 | 0 | 105.9 | ||||
| 521 | D | 38.6 | Very low | 34.8 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 65% | 0.647 | 74% | 0.744 | S | S | * | * | cis | -151.1 | -170.6 | 7 | -144.2 | -23.7 | 0 | 0 | 0 | 112.4 | ||||
| 522 | A | 36.5 | Very low | 34.7 | Very low | 72 Ų | 72 | 132.9 Ų | 132.9 | 60% | 0.595 | 74% | 0.741 | S | S | * | * | trans | -88.1 | 164.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 523 | T | 35.7 | Very low | 34.8 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 74% | 0.742 | 74% | 0.737 | S | S | * | * | cis | -167.3 | 146.1 | -19.4 | 27.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 524 | T | 31.6 | Very low | 34.8 | Very low | 138 Ų | 138 | 128.2 Ų | 128.2 | 85% | 0.847 | 73% | 0.732 | S | S | * | * | trans | 49.7 | 124.7 | 144.9 | 61.3 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 525 | G | 33.6 | Very low | 34.6 | Very low | 78 Ų | 78 | 134.1 Ų | 134.1 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | trans | 118.7 | 158.4 | 130.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 526 | A | 32.4 | Very low | 34.4 | Very low | 86 Ų | 86 | 129 Ų | 129 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | cis | -172.9 | 138.3 | -25.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 527 | N | 32.4 | Very low | 34.1 | Very low | 167 Ų | 167 | 131.4 Ų | 131.4 | 89% | 0.893 | 73% | 0.73 | S | S | * | * | trans | 63.5 | 153.9 | 149.4 | -56.5 | -13.8 | 0 | 0 | 0 | 122.9 | ||||
| 528 | G | 35.4 | Very low | 33.9 | Very low | 73 Ų | 73 | 134.1 Ų | 134.1 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | trans | 89.6 | 115.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 529 | S | 28.6 | Very low | 33.7 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | cis | 73.8 | 79.8 | 5 | -171.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 530 | F | 32.3 | Very low | 33.4 | Very low | 195 Ų | 195 | 129.2 Ų | 129.2 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | trans | -169.9 | 137.3 | 137.1 | -123.9 | -114.7 | 0 | 0 | 0 | 106.2 | ||||
| 531 | D | 32.9 | Very low | 33.1 | Very low | 102 Ų | 102 | 126.8 Ų | 126.8 | 55% | 0.545 | 74% | 0.743 | S | S | . | * | cis | 118.1 | 143.1 | 17.9 | -167.5 | 21.8 | 0 | 0 | 0 | 110.8 | ||||
| 532 | Q | 32.2 | Very low | 32.9 | Very low | 149 Ų | 149 | 129.4 Ų | 129.4 | 70% | 0.696 | 75% | 0.751 | S | S | * | * | trans | 29.2 | 126.9 | 162.8 | -82.3 | 165.3 | 86.5 | 0 | 0 | 120.6 | ||||
| 533 | T | 34 | Very low | 32.7 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 76% | 0.761 | 76% | 0.759 | S | S | * | * | -173.5 | 168.9 | 59.1 | 21.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 534 | S | 31 | Very low | 32.4 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | trans | -43.9 | 151.7 | 166.3 | 57.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 535 | R | 30.9 | Very low | 32.2 | Very low | 223 Ų | 223 | 129.5 Ų | 129.5 | 84% | 0.842 | 76% | 0.756 | S | S | * | * | -172.8 | 137 | 74.1 | -95.7 | -163.6 | 173 | 159.6 | -1.1 | 116.1 | |||||
| 536 | V | 32.4 | Very low | 32.1 | Very low | 107 Ų | 107 | 129 Ų | 129 | 65% | 0.648 | 75% | 0.751 | S | S | * | * | 70.7 | 110.3 | 125.6 | 179.2 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 537 | R | 31.7 | Very low | 31.9 | Very low | 201 Ų | 201 | 133.3 Ų | 133.3 | 76% | 0.758 | 76% | 0.757 | S | S | * | * | trans | 87.9 | 132.1 | 138 | -83 | 171.7 | -170.5 | -177.1 | 2.7 | 123.1 | ||||
| 538 | H | 35 | Very low | 31.7 | Very low | 184 Ų | 184 | 131.2 Ų | 131.2 | 85% | 0.852 | 74% | 0.743 | S | S | * | * | trans | 68.7 | 142 | 146.4 | -57.9 | -37.2 | 0 | 0 | 0 | 117.7 | ||||
| 539 | S | 31.8 | Very low | 31.3 | Very low | 91 Ų | 91 | 137.5 Ų | 137.5 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | cis | -169.4 | 155.1 | -11.8 | 42.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 540 | S | 32.1 | Very low | 31.3 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 85% | 0.853 | 74% | 0.736 | S | S | * | * | trans | 69.6 | 155.3 | 177.5 | 84.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 541 | S | 34.6 | Very low | 31.1 | Very low | 98 Ų | 98 | 138.1 Ų | 138.1 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | cis | -139.7 | 151.9 | 7.9 | 61.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 542 | Q | 34.7 | Very low | 30.8 | Very low | 175 Ų | 175 | 144.7 Ų | 144.7 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | 41.8 | 118.9 | 153 | -60.9 | 173 | 6.8 | 0 | 0 | 120 | ||||
| 543 | S | 31.1 | Very low | 31 | Very low | 108 Ų | 108 | 143 Ų | 143 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | cis | 72.5 | 147.7 | 40.6 | 89.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 544 | S | 29.5 | Very low | 30.8 | Very low | 100 Ų | 100 | 142.4 Ų | 142.4 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | cis | 178.4 | 159.7 | -18.3 | -179.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 545 | C | 28.1 | Very low | 30.6 | Very low | 125 Ų | 125 | 142.7 Ų | 142.7 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | trans | 61.6 | 156.3 | 169.2 | -71.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 546 | G | 30.2 | Very low | 30.6 | Very low | 67 Ų | 67 | 138.6 Ų | 138.6 | 69% | 0.691 | 75% | 0.753 | S | S | * | * | cis | 153.4 | 178.1 | -11.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 547 | Q | 29.1 | Very low | 30.5 | Very low | 177 Ų | 177 | 140.6 Ų | 140.6 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | trans | 64 | 122.6 | 159 | -80.7 | -168.9 | -26.4 | 0 | 0 | 121.1 | ||||
| 548 | M | 27.4 | Very low | 30.6 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 61% | 0.606 | 76% | 0.755 | S | S | * | * | 80.8 | 125.7 | 126.3 | -63.3 | -92.3 | 85.7 | 0 | 0 | 121 | |||||
| 549 | Y | 28.3 | Very low | 30.5 | Very low | 205 Ų | 205 | 136.2 Ų | 136.2 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | 64.6 | 159.4 | 157.1 | -56 | -55.2 | 0 | 0 | 0 | 119 | ||||
| 550 | S | 27.3 | Very low | 30.6 | Very low | 89 Ų | 89 | 134.8 Ų | 134.8 | 62% | 0.622 | 76% | 0.756 | S | S | * | * | cis | -177.9 | 157.6 | -34.7 | -171 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 551 | R | 28.4 | Very low | 30.8 | Very low | 237 Ų | 237 | 137.9 Ų | 137.9 | 89% | 0.894 | 75% | 0.754 | S | S | * | * | trans | 67.1 | 154.9 | 173.6 | -46.6 | -179 | -177.2 | -142.4 | -1.6 | 114 | ||||
| 552 | R | 27.2 | Very low | 30.9 | Very low | 240 Ų | 240 | 143.5 Ų | 143.5 | 91% | 0.906 | 76% | 0.761 | S | S | * | * | cis | 172.2 | 159.5 | -40.1 | -114.1 | -158.8 | 175.8 | -156.9 | 1.1 | 104.6 | ||||
| 553 | P | 35.4 | Very low | 30.9 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | -108.9 | 174 | -164.3 | 41.2 | -35.6 | 0 | 0 | 0 | 114.9 | ||||
| 554 | S | 29.8 | Very low | 31 | Very low | 112 Ų | 112 | 139.7 Ų | 139.7 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | trans | -154.4 | 130.1 | 153 | -68.3 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 555 | S | 27.8 | Very low | 31.2 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | 64.8 | 108.2 | 69.2 | -149.9 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 556 | I | 31.4 | Very low | 31.4 | Very low | 137 Ų | 137 | 138 Ų | 138 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | 65.3 | 106 | 60.6 | -56.2 | 169.6 | 0 | 0 | 0 | 111.9 | V558 | I556-V558 HydrophobicContact CG2-CG2 4.34Š| |||
| 557 | D | 29.7 | Very low | 31.6 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | -166 | 145 | 122 | -96 | -20.6 | 0 | 0 | 0 | 107.6 | |||||
| 558 | V | 33 | Very low | 31.7 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 64% | 0.642 | 78% | 0.779 | S | S | * | * | cis | 108.2 | 110.8 | 26.4 | 165.8 | 0 | 0 | 0 | 0 | 112.3 | I556 | I556-V558 HydrophobicContact CG2-CG2 4.34Š| ||
| 559 | Q | 33.8 | Very low | 32.3 | Very low | 186 Ų | 186 | 140 Ų | 140 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | trans | 167.3 | 140.4 | 147.3 | -96.5 | 166.5 | 73.2 | 0 | 0 | 110.2 | ||||
| 560 | G | 34 | Very low | 32.5 | Very low | 62 Ų | 62 | 135.8 Ų | 135.8 | 64% | 0.639 | 78% | 0.783 | S | S | * | * | cis | 136.2 | 103 | -16.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 561 | K | 36.9 | Very low | 32.7 | Very low | 186 Ų | 186 | 134.4 Ų | 134.4 | 81% | 0.809 | 78% | 0.783 | S | S | * | * | trans | -177.1 | 134.7 | 157.7 | -93.3 | 136.1 | -167.7 | 171.3 | 0 | 109.1 | ||||
| 562 | Y | 35.2 | Very low | 32.9 | Very low | 217 Ų | 217 | 134 Ų | 134 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | 73.2 | 128.4 | 56.2 | -74.1 | -54.6 | 0 | 0 | 0 | 112.8 | |||||
| 563 | V | 35.6 | Very low | 33.1 | Very low | 140 Ų | 140 | 131 Ų | 131 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | cis | -151.3 | 162.5 | 8.6 | -171.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 564 | G | 33 | Very low | 33 | Very low | 63 Ų | 63 | 131.3 Ų | 131.3 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | cis | 138.7 | 138.2 | -6.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 565 | A | 34.1 | Very low | 33.1 | Very low | 116 Ų | 116 | 130.2 Ų | 130.2 | 96% | 0.959 | 77% | 0.768 | S | S | * | * | trans | 65.9 | 152 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 566 | G | 33 | Very low | 33.3 | Very low | 73 Ų | 73 | 130.6 Ų | 130.6 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | cis | -163.5 | -167.8 | -2.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 567 | C | 32.8 | Very low | 33.1 | Very low | 135 Ų | 135 | 132 Ų | 132 | 91% | 0.912 | 77% | 0.766 | S | S | * | * | cis | -154.8 | -167.6 | 5.9 | -89.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 568 | L | 31 | Very low | 33.2 | Very low | 167 Ų | 167 | 134 Ų | 134 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | -106.3 | -175.2 | -176 | -71.7 | 162.5 | 0 | 0 | 0 | 112.4 | ||||
| 569 | P | 39.8 | Very low | 33.1 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | cis | -136.6 | -179.4 | -10.2 | 21 | 4.6 | 0 | 0 | 0 | 116.6 | ||||
| 570 | S | 33.8 | Very low | 33 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | trans | 75.9 | 132.5 | 146.1 | 67.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 571 | G | 30.6 | Very low | 32.8 | Very low | 60 Ų | 60 | 135.5 Ų | 135.5 | 62% | 0.619 | 76% | 0.764 | S | S | * | * | cis | 167.6 | 172.1 | -10.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 572 | W | 33.3 | Very low | 32.5 | Very low | 230 Ų | 230 | 131.7 Ų | 131.7 | 87% | 0.871 | 76% | 0.761 | S | S | * | * | trans | 67 | 128.9 | 173.3 | -41 | 90.2 | 0 | 0 | 0 | 115.1 | ||||
| 573 | F | 32.2 | Very low | 32.3 | Very low | 177 Ų | 177 | 128.1 Ų | 128.1 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | cis | -132.8 | 153.8 | 3.5 | -119.3 | -81.6 | 0 | 0 | 0 | 110.6 | ||||
| 574 | T | 31.8 | Very low | 32.3 | Very low | 118 Ų | 118 | 127.9 Ų | 127.9 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | trans | -80 | 164.1 | 170.6 | 58.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 575 | S | 33.1 | Very low | 32.4 | Very low | 89 Ų | 89 | 133.8 Ų | 133.8 | 62% | 0.622 | 76% | 0.758 | S | S | * | * | -160.6 | 140.4 | 53.7 | -100.5 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 576 | D | 30.8 | Very low | 32.4 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 57% | 0.572 | 74% | 0.743 | S | S | * | * | trans | 55.5 | 124.8 | 136.4 | -55.7 | -72.6 | 0 | 0 | 0 | 117.6 | W578 | D576-W578 PolarHBondContact OD1-NE1 3.14Š| ||
| 577 | E | 28.6 | Very low | 32.6 | Very low | 168 Ų | 168 | 136 Ų | 136 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | 53.3 | 146.2 | 53.1 | -52 | -162.5 | 151.6 | 0 | 0 | 110.7 | |||||
| 578 | W | 31.5 | Very low | 32.6 | Very low | 190 Ų | 190 | 133.2 Ų | 133.2 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | -175.1 | 168 | 59.4 | -70.5 | 80.6 | 0 | 0 | 0 | 106.7 | D576 | D576-W578 PolarHBondContact OD1-NE1 3.14Š| |||
| 579 | I | 29.9 | Very low | 32.6 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 61% | 0.61 | 74% | 0.738 | S | S | * | * | cis | -172.3 | 167.1 | -33.6 | -151.7 | -178.9 | 0 | 0 | 0 | 107.3 | ||||
| 580 | F | 31.2 | Very low | 32.3 | Very low | 200 Ų | 200 | 137.6 Ų | 137.6 | 88% | 0.877 | 75% | 0.745 | S | S | * | * | trans | 65.5 | 167.7 | 171.5 | -79.6 | -131.9 | 0 | 0 | 0 | 115.6 | ||||
| 581 | G | 31 | Very low | 32.1 | Very low | 68 Ų | 68 | 139.6 Ų | 139.6 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | cis | 175.6 | 167.6 | -5.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 582 | S | 29.5 | Very low | 32.4 | Very low | 106 Ų | 106 | 141.4 Ų | 141.4 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | trans | -51.5 | 151.9 | -171.7 | -96 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 583 | D | 32.4 | Very low | 32.4 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | trans | 28.9 | 131.1 | 131.3 | -44.8 | -65.7 | 0 | 0 | 0 | 120.6 | ||||
| 584 | D | 35.8 | Very low | 32.6 | Very low | 136 Ų | 136 | 134 Ų | 134 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | -160 | -179.8 | 103 | -140.4 | -24.2 | 0 | 0 | 0 | 113.5 | |||||
| 585 | K | 34.4 | Very low | 32.7 | Very low | 186 Ų | 186 | 136 Ų | 136 | 81% | 0.809 | 73% | 0.734 | S | S | * | * | trans | -96.2 | 161.6 | -166.2 | -52.7 | 155.2 | -156.8 | 76.4 | 0 | 113 | ||||
| 586 | G | 34.7 | Very low | 32.6 | Very low | 63 Ų | 63 | 138.3 Ų | 138.3 | 65% | 0.649 | 74% | 0.735 | S | S | * | * | trans | 177.8 | 102.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 587 | I | 35.7 | Very low | 32.7 | Very low | 172 Ų | 172 | 140.8 Ų | 140.8 | 88% | 0.882 | 75% | 0.745 | S | S | * | * | 60.9 | 136.5 | 128.1 | -61.3 | 163.4 | 0 | 0 | 0 | 118.9 | |||||
| 588 | A | 33 | Very low | 33.2 | Very low | 78 Ų | 78 | 136.3 Ų | 136.3 | 65% | 0.645 | 74% | 0.737 | S | S | * | * | cis | -176.9 | -170.5 | -17.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 589 | R | 31.5 | Very low | 33.5 | Very low | 239 Ų | 239 | 135 Ų | 135 | 90% | 0.902 | 74% | 0.739 | S | S | * | * | trans | 88.2 | 136.2 | 171.3 | -53.6 | 176.7 | -168.8 | -168.3 | 3.8 | 114.3 | ||||
| 590 | C | 33.5 | Very low | 33.8 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 85% | 0.851 | 74% | 0.742 | S | S | * | * | cis | -141.2 | 163.6 | 0.1 | -108 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 591 | L | 29.9 | Very low | 34.1 | Very low | 159 Ų | 159 | 132.3 Ų | 132.3 | 83% | 0.832 | 73% | 0.73 | S | S | * | * | trans | -101.2 | 169 | 173.9 | -106.4 | 167.2 | 0 | 0 | 0 | 109.4 | ||||
| 592 | P | 37.4 | Very low | 34.4 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | -161.1 | -175.2 | 64 | 42.5 | -18.9 | 0 | 0 | 0 | 120.1 | |||||
| 593 | H | 33.3 | Very low | 34.9 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 79% | 0.792 | 73% | 0.726 | S | S | * | * | trans | 71.8 | 149.1 | 164.3 | -70.2 | 87.3 | 0 | 0 | 0 | 119.7 | ||||
| 594 | S | 34.9 | Very low | 35.1 | Very low | 80 Ų | 80 | 142.2 Ų | 142.2 | 56% | 0.559 | 73% | 0.73 | S | S | * | * | cis | -176.9 | 148.2 | -23.8 | 51.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 595 | Q | 33.6 | Very low | 35.1 | Very low | 161 Ų | 161 | 147.3 Ų | 147.3 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | trans | 62.9 | 149.9 | 151.6 | -112.9 | 125.4 | -3.3 | 0 | 0 | 119.6 | ||||
| 596 | E | 31.5 | Very low | 35.2 | Very low | 136 Ų | 136 | 142.3 Ų | 142.3 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | cis | -167.7 | -177.1 | -13.6 | -139.5 | 167 | -127.2 | 0 | 0 | 112.6 | ||||
| 597 | M | 34.3 | Very low | 35.3 | Very low | 159 Ų | 159 | 147.2 Ų | 147.2 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | trans | 68 | 133.1 | 169.7 | -55.6 | -71.5 | 172.6 | 0 | 0 | 116.9 | ||||
| 598 | A | 37.4 | Very low | 35.3 | Very low | 75 Ų | 75 | 144.7 Ų | 144.7 | 62% | 0.62 | 74% | 0.735 | S | S | * | * | cis | 91.7 | 139.3 | 35.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 599 | Q | 37.8 | Very low | 35.4 | Very low | 163 Ų | 163 | 145.5 Ų | 145.5 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | cis | -165.3 | -177.4 | -2.3 | -109 | 178.7 | 108.7 | 0 | 0 | 108 | ||||
| 600 | Q | 37.2 | Very low | 35.6 | Very low | 142 Ų | 142 | 140.8 Ų | 140.8 | 66% | 0.664 | 73% | 0.728 | S | S | * | * | cis | -162.9 | 156.3 | 8.2 | -129.3 | 178.8 | 39.1 | 0 | 0 | 113.8 | ||||
| 601 | L | 37.6 | Very low | 35.7 | Very low | 119 Ų | 119 | 145.7 Ų | 145.7 | 62% | 0.623 | 73% | 0.729 | S | S | * | * | trans | 44.9 | 119.7 | 143.8 | -72.7 | 168.7 | 0 | 0 | 0 | 127.6 | ||||
| 602 | H | 37.8 | Very low | 36.2 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 63% | 0.625 | 72% | 0.719 | S | S | * | * | 68.4 | 155.4 | 126.5 | -77.1 | 7.1 | 0 | 0 | 0 | 122.1 | |||||
| 603 | R | 38.6 | Very low | 36 | Very low | 199 Ų | 199 | 145.3 Ų | 145.3 | 75% | 0.751 | 73% | 0.726 | S | S | * | * | cis | -161.9 | 133 | -4.2 | -121.5 | 175.1 | -160.9 | -177.1 | 11.5 | 115 | ||||
| 604 | K | 37.2 | Very low | 36.2 | Very low | 189 Ų | 189 | 149.1 Ų | 149.1 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | trans | 28.1 | 137.7 | 142.2 | -61.5 | -174.9 | 173.3 | -173.8 | 0 | 124.6 | ||||
| 605 | R | 36.2 | Very low | 36.3 | Very low | 243 Ų | 243 | 149 Ų | 149 | 92% | 0.917 | 74% | 0.744 | S | S | * | * | trans | 132.6 | 154.1 | 134.8 | -77.7 | 178.8 | 171 | 165.3 | -3.4 | 113.6 | ||||
| 606 | A | 36.7 | Very low | 36.3 | Very low | 81 Ų | 81 | 144.6 Ų | 144.6 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | cis | -174.2 | 169.4 | -27.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 607 | I | 36.5 | Very low | 36.4 | Very low | 166 Ų | 166 | 145.2 Ų | 145.2 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | trans | 85.6 | 138.1 | 153.6 | -67.1 | 155.5 | 0 | 0 | 0 | 120.8 | ||||
| 608 | T | 35.5 | Very low | 36.4 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | trans | -74.5 | 165.8 | -171 | 55.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 609 | S | 34.7 | Very low | 36.1 | Very low | 95 Ų | 95 | 147.6 Ų | 147.6 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | 173.7 | 157 | 110 | 54.4 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 610 | N | 36.4 | Very low | 35.9 | Very low | 140 Ų | 140 | 147 Ų | 147 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | trans | 61.8 | 134.4 | 159.9 | -57.3 | -34.1 | 0 | 0 | 0 | 120 | ||||
| 611 | R | 34.4 | Very low | 35.5 | Very low | 229 Ų | 229 | 145.2 Ų | 145.2 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | cis | 93.4 | 149.8 | 32.4 | -84 | -163.8 | 161.8 | -162.4 | -1.5 | 114.5 | ||||
| 612 | P | 40.7 | Very low | 35.2 | Very low | 96 Ų | 96 | 150.6 Ų | 150.6 | 62% | 0.623 | 77% | 0.767 | S | S | * | * | cis | -152.8 | -170.2 | -41.6 | 46 | -27 | 0 | 0 | 0 | 116.4 | ||||
| 613 | I | 34.7 | Very low | 34.7 | Very low | 153 Ų | 153 | 148.6 Ų | 148.6 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | 66 | 115.5 | 151.7 | -66 | 159.4 | 0 | 0 | 0 | 121.8 | ||||
| 614 | R | 37.4 | Very low | 34.3 | Very low | 250 Ų | 250 | 149.1 Ų | 149.1 | 94% | 0.943 | 78% | 0.777 | S | S | * | * | 177.9 | 144.2 | 124.1 | -96.1 | -175.9 | -171 | -154.2 | 3.1 | 108.6 | |||||
| 615 | G | 35.5 | Very low | 33.8 | Very low | 77 Ų | 77 | 146.4 Ų | 146.4 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | cis | 169.6 | 107.7 | -11.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 616 | G | 34.3 | Very low | 33.4 | Very low | 69 Ų | 69 | 146 Ų | 146 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | 70.4 | 152.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 617 | D | 33.1 | Very low | 33 | Very low | 149 Ų | 149 | 145.9 Ų | 145.9 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | cis | -162.1 | -173.8 | -16.6 | -119.8 | -83.6 | 0 | 0 | 0 | 106 | ||||
| 618 | V | 35.3 | Very low | 32.5 | Very low | 119 Ų | 119 | 143.6 Ų | 143.6 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | cis | -149 | 150.4 | 17.1 | 79.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 619 | F | 31.4 | Very low | 32.3 | Very low | 166 Ų | 166 | 145 Ų | 145 | 73% | 0.728 | 77% | 0.767 | S | S | * | * | trans | 34.6 | 126.9 | 158.5 | -88.9 | -117 | 0 | 0 | 0 | 123.3 | ||||
| 620 | M | 32.4 | Very low | 32 | Very low | 150 Ų | 150 | 145.4 Ų | 145.4 | 74% | 0.739 | 77% | 0.765 | S | S | * | * | trans | 51.3 | 100.5 | 143.5 | -60.7 | -62.2 | 146.6 | 0 | 0 | 118.7 | ||||
| 621 | S | 29.4 | Very low | 31.5 | Very low | 104 Ų | 104 | 147.7 Ų | 147.7 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | 74.9 | 130.8 | 50.6 | -58.3 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 622 | R | 30.5 | Very low | 31.5 | Very low | 233 Ų | 233 | 144.3 Ų | 144.3 | 88% | 0.879 | 76% | 0.763 | S | S | * | * | trans | 74.7 | 111.2 | 159 | -70.1 | 178 | 176.8 | 171.7 | -1.6 | 119.2 | ||||
| 623 | A | 27.6 | Very low | 31 | Very low | 93 Ų | 93 | 144.8 Ų | 144.8 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | -66.8 | 156.7 | 146.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 624 | Y | 30.4 | Very low | 30.8 | Very low | 210 Ų | 210 | 144.9 Ų | 144.9 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | trans | -157.3 | 153.3 | 148.7 | -108.7 | -70.3 | 0 | 0 | 0 | 109.4 | ||||
| 625 | D | 27.4 | Very low | 30.4 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | trans | -65.3 | 148.7 | 170.3 | -44 | -93.5 | 0 | 0 | 0 | 111.2 | ||||
| 626 | Y | 27.7 | Very low | 30.2 | Very low | 235 Ų | 235 | 145.5 Ų | 145.5 | 92% | 0.922 | 74% | 0.742 | S | S | * | * | -173.8 | 175 | 109.7 | -118.1 | -99.9 | 0 | 0 | 0 | 113.1 | |||||
| 627 | A | 27.1 | Very low | 29.9 | Very low | 78 Ų | 78 | 153.7 Ų | 153.7 | 65% | 0.645 | 75% | 0.752 | S | S | * | * | trans | -83 | 160.6 | -166.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 628 | V | 25.7 | Very low | 29.5 | Very low | 119 Ų | 119 | 152.3 Ų | 152.3 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | trans | 58.6 | 112.1 | 146.7 | 176.3 | 0 | 0 | 0 | 0 | 119.2 | V630 | V628-V630 HydrophobicContact CG1-CG2 3.89Š| ||
| 629 | D | 31.9 | Very low | 29.3 | Very low | 149 Ų | 149 | 152.6 Ų | 152.6 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | -152.6 | 124.2 | 120.8 | -99 | -27.4 | 0 | 0 | 0 | 107.1 | |||||
| 630 | V | 27.7 | Very low | 29.1 | Very low | 104 Ų | 104 | 155.6 Ų | 155.6 | 63% | 0.63 | 76% | 0.762 | S | S | * | * | 75.4 | 107.6 | 64.1 | 175.4 | 0 | 0 | 0 | 0 | 112.6 | V628 | V628-V630 HydrophobicContact CG1-CG2 3.89Š| |||
| 631 | F | 26.4 | Very low | 28.7 | Very low | 187 Ų | 187 | 152.7 Ų | 152.7 | 82% | 0.82 | 76% | 0.762 | S | S | * | * | trans | 34.7 | 118.3 | 156.6 | -77.3 | -107.3 | 0 | 0 | 0 | 118.9 | ||||
| 632 | Q | 34.1 | Very low | 28.6 | Very low | 158 Ų | 158 | 159 Ų | 159 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | -162.6 | 135.1 | 100.2 | -108.3 | -162.2 | 77.1 | 0 | 0 | 114.4 | |||||
| 633 | N | 31.3 | Very low | 28.3 | Very low | 106 Ų | 106 | 152.2 Ų | 152.2 | 57% | 0.567 | 76% | 0.758 | S | S | * | * | 50.1 | 143.9 | 126.3 | -73.4 | -23.9 | 0 | 0 | 0 | 120.8 | |||||
| 634 | K | 30.5 | Very low | 28.3 | Very low | 156 Ų | 156 | 155.5 Ų | 155.5 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | cis | -170.9 | 155.5 | 18.1 | -126.3 | 164 | -166.2 | 167.1 | 0 | 111.4 | ||||
| 635 | L | 29.3 | Very low | 28 | Very low | 128 Ų | 128 | 149.8 Ų | 149.8 | 67% | 0.67 | 75% | 0.753 | S | S | * | * | trans | 62.6 | 149 | 167.5 | -77.5 | 64 | 0 | 0 | 0 | 115.4 | ||||
| 636 | R | 31.6 | Very low | 27.8 | Very low | 212 Ų | 212 | 149.3 Ų | 149.3 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | cis | -145.7 | 122.3 | -12.6 | -112.8 | 160.7 | -172.9 | 168.2 | 0.8 | 104.8 | ||||
| 637 | R | 27.3 | Very low | 27.9 | Very low | 241 Ų | 241 | 143.7 Ų | 143.7 | 91% | 0.909 | 75% | 0.75 | S | S | * | * | 49 | 128.9 | 78.2 | -86.1 | -165.5 | 176.9 | -172 | 1.1 | 114.9 | |||||
| 638 | S | 24.8 | Very low | 27.8 | Very low | 119 Ų | 119 | 143.9 Ų | 143.9 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | trans | 71.6 | 145.2 | 173.7 | -102.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 639 | V | 31.7 | Very low | 28 | Very low | 126 Ų | 126 | 144.5 Ų | 144.5 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | cis | -129.2 | 149.2 | 9.3 | -175.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 640 | R | 25.9 | Very low | 27.6 | Very low | 228 Ų | 228 | 145.1 Ų | 145.1 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | trans | -29.1 | 132.5 | 157.7 | -71.6 | 165.7 | 175.4 | 156.8 | -4.5 | 113.6 | ||||
| 641 | A | 25.4 | Very low | 27.6 | Very low | 90 Ų | 90 | 144.1 Ų | 144.1 | 74% | 0.744 | 74% | 0.738 | S | S | * | * | 63.3 | 104.7 | 73.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 642 | R | 27 | Very low | 27.5 | Very low | 235 Ų | 235 | 137.5 Ų | 137.5 | 89% | 0.887 | 72% | 0.715 | S | S | * | * | trans | -157.2 | 118.5 | 147.9 | -93.8 | 151.3 | -171.8 | -143.5 | -1.3 | 104.1 | ||||
| 643 | S | 23.6 | Very low | 27.1 | Very low | 91 Ų | 91 | 138 Ų | 138 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | 66.9 | 140.5 | 57.1 | 80.6 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 644 | L | 26.9 | Very low | 27 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 85% | 0.848 | 72% | 0.715 | S | S | * | * | trans | 75.7 | 143.8 | -178.7 | -47.8 | 170.3 | 0 | 0 | 0 | 113.7 | ||||
| 645 | S | 24.4 | Very low | 26.9 | Very low | 91 Ų | 91 | 139.4 Ų | 139.4 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | cis | 176.6 | 131.8 | -31.4 | 44.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 646 | C | 23.1 | Very low | 26.9 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 81% | 0.811 | 72% | 0.723 | S | S | * | * | trans | 58.7 | -174.2 | 160.1 | -56.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 647 | P | 29.7 | Very low | 26.6 | Very low | 117 Ų | 117 | 138.8 Ų | 138.8 | 76% | 0.76 | 72% | 0.723 | S | S | * | * | cis | -90.8 | 159.7 | -27.1 | 37 | -28.6 | 0 | 0 | 0 | 111.3 | ||||
| 648 | A | 24.9 | Very low | 26.5 | Very low | 82 Ų | 82 | 135.9 Ų | 135.9 | 68% | 0.678 | 72% | 0.72 | S | S | * | * | cis | 77.9 | 70.9 | 33.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 649 | I | 29.9 | Very low | 26.5 | Very low | 132 Ų | 132 | 136 Ų | 136 | 68% | 0.677 | 72% | 0.716 | S | S | * | * | trans | -139.9 | 106 | 149.1 | -50.5 | 174.4 | 0 | 0 | 0 | 103.9 | L651 | I649-L651 HydrophobicContact CG2-CD1 4.02Å; I649-L651 HydrophobicContact CG2-CG 3.92Å | ||
| 650 | H | 24.2 | Very low | 26.2 | Very low | 163 Ų | 163 | 139.2 Ų | 139.2 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | cis | 73.8 | 62.8 | 12.4 | -148.1 | -62.3 | 0 | 0 | 0 | 116.7 | ||||
| 651 | L | 27 | Very low | 26.3 | Very low | 83 Ų | 83 | 133.3 Ų | 133.3 | 44% | 0.435 | 71% | 0.709 | S | S | . | * | trans | -122.9 | 110.4 | 154.1 | -61.3 | 158.3 | 0 | 0 | 0 | 104.7 | Q53 I649 | Q53-L651 WeakPolarHBondContact O-CB 3.39Å; Q53-L651 WeakPolarHBondContact O-CD1 3.5Å; Q53-L651 WeakPolarHBondContact O-CD2 3.42Å; I649-L651 HydrophobicContact CG2-CD1 4.02Å; I649-L651 HydrophobicContact CG2-CG 3.92Å | ||
| 652 | S | 24.9 | Very low | 26.3 | Very low | 47 Ų | 47 | 139.4 Ų | 139.4 | 33% | 0.329 | 71% | 0.713 | S | S | . | * | 62.9 | 125.6 | 56.5 | 81.6 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 653 | F | 26.9 | Very low | 26.3 | Very low | 169 Ų | 169 | 133 Ų | 133 | 74% | 0.741 | 71% | 0.705 | S | S | * | * | cis | -130 | 133.3 | 21.6 | -82.2 | -104.7 | 0 | 0 | 0 | 111.1 | F54 | F54-F653 HydrophobicContact CD1-CD2 4.12Å; F54-F653 AromaticContact CE1-CD2 3.75Å; F54-F653 HydrophobicContact CE1-CD2 3.75Å; F54-F653 AromaticContact CE1-CE2 3.8Å; F54-F653 HydrophobicContact CE1-CE2 3.8Å | ||
| 654 | S | 28.2 | Very low | 26.5 | Very low | 81 Ų | 81 | 134.6 Ų | 134.6 | 57% | 0.566 | 72% | 0.715 | S | S | * | * | 89.7 | 112.4 | 74.5 | -163 | 0 | 0 | 0 | 0 | 114.6 | D656 | S654-D656 PolarHBondContact OG-OD2 3.46Š| |||
| 655 | K | 28.4 | Very low | 26.6 | Very low | 211 Ų | 211 | 129.9 Ų | 129.9 | 92% | 0.917 | 71% | 0.706 | S | S | * | * | trans | -100.6 | 81.4 | 161.6 | -81.2 | -176.6 | 174.7 | 175.6 | 0 | 109.4 | ||||
| 656 | D | 29 | Very low | 26.9 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 60% | 0.604 | 71% | 0.714 | S | S | * | * | trans | -98.7 | 120.5 | 159.1 | -85.1 | -59 | 0 | 0 | 0 | 108.1 | S654 | S654-D656 PolarHBondContact OG-OD2 3.46Š| ||
| 657 | R | 25.6 | Very low | 27.2 | Very low | 213 Ų | 213 | 137.8 Ų | 137.8 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | 61.1 | 92 | 76.8 | -69.9 | 174.7 | 149.2 | -169.3 | 1.7 | 112.8 | |||||
| 658 | Q | 25.6 | Very low | 27.2 | Very low | 180 Ų | 180 | 137.4 Ų | 137.4 | 84% | 0.841 | 72% | 0.72 | S | S | * | * | -175 | 136 | 99.6 | -96.7 | 173 | 24.7 | 0 | 0 | 113.8 | |||||
| 659 | T | 25.2 | Very low | 27.5 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 74% | 0.742 | 72% | 0.719 | S | S | * | * | trans | 30.1 | 116.2 | 148.7 | 58.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 660 | F | 24.6 | Very low | 27.5 | Very low | 195 Ų | 195 | 140.3 Ų | 140.3 | 86% | 0.855 | 73% | 0.73 | S | S | * | * | -154.9 | 136.9 | 104.1 | -135 | -118.4 | 0 | 0 | 0 | 114.3 | |||||
| 661 | V | 27.9 | Very low | 27.7 | Very low | 103 Ų | 103 | 140.5 Ų | 140.5 | 62% | 0.624 | 73% | 0.731 | S | S | * | * | trans | 24.8 | 108.7 | 148.5 | 177.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 662 | R | 25.8 | Very low | 27.8 | Very low | 218 Ų | 218 | 146 Ų | 146 | 82% | 0.823 | 75% | 0.746 | S | S | * | * | 74.9 | 119 | 64.4 | -175.7 | -156.9 | -164.1 | -179.9 | 6 | 113.5 | |||||
| 663 | S | 26 | Very low | 28 | Very low | 102 Ų | 102 | 153.3 Ų | 153.3 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | 48.2 | 116.2 | 164.4 | 58.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 664 | S | 28.9 | Very low | 28.2 | Very low | 123 Ų | 123 | 150.8 Ų | 150.8 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | -168.6 | 174.4 | 57.2 | -57.2 | 0 | 0 | 0 | 0 | 108 | |||||
| 665 | G | 29 | Very low | 28.3 | Very low | 63 Ų | 63 | 154.9 Ų | 154.9 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | cis | 152.1 | 121.2 | 2.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 666 | T | 29.4 | Very low | 28.4 | Very low | 132 Ų | 132 | 154.1 Ų | 154.1 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | 34.7 | 111.8 | 158.1 | 58.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 667 | R | 30.4 | Very low | 28.5 | Very low | 245 Ų | 245 | 154.1 Ų | 154.1 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | trans | 151.4 | 158.7 | 130.1 | -84.1 | 164.9 | -177.4 | -144.2 | -1 | 110.5 | ||||
| 668 | S | 28.6 | Very low | 28.7 | Very low | 110 Ų | 110 | 151.2 Ų | 151.2 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | cis | 174.3 | 151.7 | -25.9 | -176.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 669 | A | 32.9 | Very low | 29.2 | Very low | 80 Ų | 80 | 150.5 Ų | 150.5 | 66% | 0.661 | 79% | 0.789 | S | S | * | * | trans | 95.3 | 127.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 670 | E | 29.5 | Very low | 29.4 | Very low | 194 Ų | 194 | 154 Ų | 154 | 91% | 0.907 | 80% | 0.797 | S | S | * | * | cis | 52 | 70.4 | -5.4 | -69.5 | -166.9 | 164 | 0 | 0 | 117.3 | ||||
| 671 | Q | 28 | Very low | 29.8 | Very low | 168 Ų | 168 | 148.1 Ų | 148.1 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -171.7 | 178.6 | 145 | -107.5 | 162.4 | 21.2 | 0 | 0 | 110.3 | ||||
| 672 | W | 29.5 | Very low | 29.8 | Very low | 197 Ų | 197 | 154.4 Ų | 154.4 | 75% | 0.746 | 80% | 0.804 | S | S | * | * | trans | 77.7 | 52 | 177.4 | -58.3 | 98.8 | 0 | 0 | 0 | 117.2 | ||||
| 673 | F | 28.9 | Very low | 30.2 | Very low | 201 Ų | 201 | 151.9 Ų | 151.9 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | -61.5 | 145.3 | 129.4 | -125.6 | -95.9 | 0 | 0 | 0 | 109.2 | |||||
| 674 | V | 31.1 | Very low | 30.3 | Very low | 116 Ų | 116 | 152.8 Ų | 152.8 | 70% | 0.703 | 81% | 0.812 | S | S | * | * | trans | 62.9 | 98.3 | 172.2 | -166 | 0 | 0 | 0 | 0 | 117 | ||||
| 675 | Q | 30 | Very low | 30.5 | Very low | 167 Ų | 167 | 156.1 Ų | 156.1 | 78% | 0.78 | 81% | 0.814 | S | S | * | * | -153.7 | 150.5 | 120.8 | -152.9 | 150.5 | -6.5 | 0 | 0 | 111.7 | |||||
| 676 | K | 30.6 | Very low | 30.8 | Very low | 196 Ų | 196 | 159.9 Ų | 159.9 | 85% | 0.852 | 82% | 0.824 | S | S | * | * | trans | -86.7 | 136.1 | 173.3 | -58.1 | 174.1 | 179.2 | 179.2 | 0 | 109.9 | ||||
| 677 | S | 30.7 | Very low | 30.8 | Very low | 112 Ų | 112 | 158.7 Ų | 158.7 | 78% | 0.783 | 83% | 0.828 | S | S | * | * | 170.5 | 151.7 | 118.2 | 58.6 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 678 | D | 29.9 | Very low | 30.9 | Very low | 152 Ų | 152 | 152 Ų | 152 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | trans | -51.5 | 128.7 | -175.4 | -46.5 | -71.2 | 0 | 0 | 0 | 114.8 | ||||
| 679 | N | 36.4 | Very low | 31 | Very low | 166 Ų | 166 | 153 Ų | 153 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | trans | -155.5 | 151.1 | 136.6 | -114.6 | -53 | 0 | 0 | 0 | 112.2 | ||||
| 680 | Q | 30.4 | Very low | 31 | Very low | 195 Ų | 195 | 153.1 Ų | 153.1 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | trans | -89.6 | 144.2 | -169.6 | -62.3 | 172.1 | -15.2 | 0 | 0 | 112 | ||||
| 681 | G | 31.2 | Very low | 31.2 | Very low | 71 Ų | 71 | 154 Ų | 154 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | 136.4 | 110.6 | 149.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 682 | R | 28.9 | Very low | 31.4 | Very low | 235 Ų | 235 | 148.7 Ų | 148.7 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | 60.6 | 92.8 | 137.8 | -167.8 | -164.3 | -70.4 | -136.6 | -2.1 | 117.7 | ||||
| 683 | L | 33.2 | Very low | 31.5 | Very low | 165 Ų | 165 | 144.5 Ų | 144.5 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | 177.8 | 106.5 | 117.6 | -96.4 | 169.1 | 0 | 0 | 0 | 111.6 | |||||
| 684 | S | 30 | Very low | 31.6 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -150.1 | 105.9 | 172.4 | -55.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 685 | Q | 32 | Very low | 31.6 | Very low | 194 Ų | 194 | 142.7 Ų | 142.7 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | trans | -151.5 | 96.3 | 174 | -78 | -166.6 | -19.8 | 0 | 0 | 112.8 | ||||
| 686 | T | 34.6 | Very low | 31.6 | Very low | 142 Ų | 142 | 144.8 Ų | 144.8 | 87% | 0.871 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -147.1 | 90.2 | 153.4 | 47.1 | 0 | 0 | 0 | 0 | 110.5 | S688 | T686-S688 PolarHBondContact O-N 2.91Š|
| 687 | A | 30.5 | Very low | 31.6 | Very low | 106 Ų | 106 | 143 Ų | 143 | 88% | 0.876 | 80% | 0.804 | S | S | * | * | trans | 41.9 | 63.2 | 152 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 688 | S | 32 | Very low | 31.5 | Very low | 104 Ų | 104 | 143.6 Ų | 143.6 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -90.1 | 97 | 153.4 | 58.8 | 0 | 0 | 0 | 0 | 110 | T686 S690 | T686-S688 PolarHBondContact O-N 2.91Å; S688-S690 VanDerWaalsContact C-N 3.33Å; S688-S690 PolarHBondContact O-N 3.46Å | ||
| 689 | L | 30.2 | Very low | 31.5 | Very low | 132 Ų | 132 | 141.8 Ų | 141.8 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | trans | -71.7 | 91.6 | 169.6 | -85.4 | 168.3 | 0 | 0 | 0 | 109.9 | R851 | L689-R851 PolarHBondContact O-NH1 3.32Å; L689-R851 VanDerWaalsContact O-NH1 3.08Å; L689-R851 PolarHBondContact O-NH2 3.03Å | ||
| 690 | S | 32.8 | Very low | 31.2 | Very low | 83 Ų | 83 | 142.1 Ų | 142.1 | 58% | 0.58 | 79% | 0.789 | S | S | * | * | trans | -107.9 | 116.1 | 157.4 | 52.2 | 0 | 0 | 0 | 0 | 107.7 | S688 G692 | S688-S690 VanDerWaalsContact C-N 3.33Å; S688-S690 PolarHBondContact O-N 3.46Å; S690-G692 VanDerWaalsContact C-N 3.26Å; S690-G692 PolarHBondContact O-N 3.16Å | ||
| 691 | Y | 34.9 | Very low | 31.6 | Very low | 212 Ų | 212 | 144.3 Ų | 144.3 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | trans | -69.7 | 90.4 | 165.9 | -106.8 | -99.3 | 0 | 0 | 0 | 108 | ||||
| 692 | G | 31.8 | Very low | 31.7 | Very low | 57 Ų | 57 | 149.4 Ų | 149.4 | 59% | 0.588 | 80% | 0.799 | S | S | * | * | trans | -71 | 126 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | S690 | S690-G692 VanDerWaalsContact C-N 3.26Å; S690-G692 PolarHBondContact O-N 3.16Å | ||
| 693 | S | 32.3 | Very low | 32 | Very low | 108 Ų | 108 | 144.4 Ų | 144.4 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -55.1 | 171.2 | 155 | -57.2 | 0 | 0 | 0 | 0 | 110.5 | ||
| 694 | D | 30.7 | Very low | 32 | Very low | 160 Ų | 160 | 143.8 Ų | 143.8 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | trans | 80.4 | 39.3 | 177.4 | -46.8 | -21.9 | 0 | 0 | 0 | 115.6 | ||||
| 695 | C | 30.2 | Very low | 32 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -130.8 | 44.7 | 164.1 | -82.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 696 | F | 30.6 | Very low | 32 | Very low | 210 Ų | 210 | 142.4 Ų | 142.4 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | trans | -131.6 | 73.6 | 169.6 | -97.3 | -78.7 | 0 | 0 | 0 | 111.4 | ||||
| 697 | Q | 29.5 | Very low | 31.9 | Very low | 160 Ų | 160 | 142 Ų | 142 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | -81.5 | 127.7 | 154.7 | -79.3 | -166.1 | -43.1 | 0 | 0 | 108.8 | N699 | Q697-N699 PolarHBondContact O-N 3.13Å; Q697-N699 PolarHBondContact OE1-ND2 3.33Å | ||
| 698 | P | 28.6 | Very low | 32 | Very low | 123 Ų | 123 | 147.2 Ų | 147.2 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | trans | -80.5 | 55.5 | -179.5 | 34.6 | -36.6 | 0 | 0 | 0 | 112.4 | ||||
| 699 | N | 30.2 | Very low | 32 | Very low | 114 Ų | 114 | 147.5 Ų | 147.5 | 61% | 0.61 | 77% | 0.771 | S | S | * | * | trans | -107.3 | 68.4 | -170.3 | -69.3 | -0.6 | 0 | 0 | 0 | 113.4 | Q697 | Q697-N699 PolarHBondContact O-N 3.13Å; Q697-N699 PolarHBondContact OE1-ND2 3.33Å | ||
| 700 | F | 30.9 | Very low | 31.9 | Very low | 173 Ų | 173 | 150 Ų | 150 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -160.6 | 54.2 | 156.9 | -148.2 | -97.2 | 0 | 0 | 0 | 115.5 | ||
| 701 | W | 38.9 | Very low | 32.1 | Very low | 241 Ų | 241 | 151.6 Ų | 151.6 | 91% | 0.913 | 79% | 0.785 | S | S | * | * | trans | -144.9 | 29.9 | 161.6 | -78.7 | 116.8 | 0 | 0 | 0 | 113.5 | ||||
| 702 | D | 33.5 | Very low | 32.2 | Very low | 179 Ų | 179 | 146.4 Ų | 146.4 | 96% | 0.957 | 78% | 0.775 | S | S | * | * | trans | -96 | 82.1 | 156.6 | -81.3 | -49.9 | 0 | 0 | 0 | 108.1 | ||||
| 703 | D | 35.6 | Very low | 32.5 | Very low | 129 Ų | 129 | 149.9 Ų | 149.9 | 69% | 0.69 | 78% | 0.781 | S | S | * | * | trans | -136.7 | 146.4 | 164.2 | -165.9 | 15.6 | 0 | 0 | 0 | 110.3 | G705 | D703-G705 PolarHBondContact O-N 3.36Š| ||
| 704 | E | 32.7 | Very low | 33 | Very low | 153 Ų | 153 | 150.9 Ų | 150.9 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | trans | -44.8 | 123.5 | -156.5 | -63.2 | 178.9 | 162.1 | 0 | 0 | 116.4 | R706 | E704-R706 PolarHBondContact O-N 2.93Š| ||
| 705 | G | 30.5 | Very low | 33.4 | Very low | 85 Ų | 85 | 148 Ų | 148 | 88% | 0.876 | 75% | 0.754 | S | S | * | * | 63.5 | 2.7 | 105.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | D703 | D703-G705 PolarHBondContact O-N 3.36Š| |||
| 706 | R | 31.5 | Very low | 34 | Very low | 199 Ų | 199 | 144.8 Ų | 144.8 | 75% | 0.751 | 73% | 0.732 | S | S | * | * | trans | -112.6 | 74.8 | -174.3 | -156.7 | 178.4 | -55.1 | -111.7 | -1.2 | 109.7 | E704 R708 | E704-R706 PolarHBondContact O-N 2.93Å; R706-R708 PolarHBondContact O-N 2.87Å | ||
| 707 | T | 33 | Very low | 34.6 | Very low | 133 Ų | 133 | 138.6 Ų | 138.6 | 82% | 0.816 | 71% | 0.709 | S | S | * | * | trans | -55.9 | 81.4 | 159.3 | 38.6 | 0 | 0 | 0 | 0 | 109.6 | P709 | T707-P709 WeakPolarHBondContact O-CD 3.41Å; T707-P709 VanDerWaalsContact O-N 3.14Å | ||
| 708 | R | 30.9 | Very low | 35.3 | Very low | 217 Ų | 217 | 135.4 Ų | 135.4 | 82% | 0.819 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 117.9 | 158.6 | -66.3 | -171.1 | -174.4 | -150 | 3.3 | 105.3 | R706 F710 | R706-R708 PolarHBondContact O-N 2.87Å; R708-F710 PolarHBondContact O-N 2.86Å |
| 709 | P | 32 | Very low | 36.1 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 71% | 0.708 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -57 | 140.1 | 169.6 | -19.8 | 32.9 | 0 | 0 | 0 | 107.4 | T707 | T707-P709 WeakPolarHBondContact O-CD 3.41Å; T707-P709 VanDerWaalsContact O-N 3.14Å |
| 710 | F | 28.7 | Very low | 36.8 | Very low | 186 Ų | 186 | 134.9 Ų | 134.9 | 82% | 0.816 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 135.7 | 151.5 | -87 | -93.6 | 0 | 0 | 0 | 106.6 | R708 T712 | R708-F710 PolarHBondContact O-N 2.86Å; F710-T712 HydrophobicContact CB-CG2 4.47Å; F710-T712 PolarHBondContact O-N 3.16Å |
| 711 | P | 38.2 | Very low | 37.5 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 75% | 0.753 | 66% | 0.662 | S | S | * | * | trans | -71.5 | 76.6 | -178 | 28.8 | -34.7 | 0 | 0 | 0 | 110.1 | N713 | P711-N713 PolarHBondContact O-N 3.21Š| ||
| 712 | T | 35.8 | Very low | 38 | Very low | 102 Ų | 102 | 122.6 Ų | 122.6 | 63% | 0.626 | 64% | 0.644 | S | S | * | * | trans | -72.9 | 38.8 | 172.8 | 51 | 0 | 0 | 0 | 0 | 111.4 | F710 Y714 D715 | F710-T712 HydrophobicContact CB-CG2 4.47Å; F710-T712 PolarHBondContact O-N 3.16Å; T712-Y714 PolarHBondContact O-N 2.92Å; T712-D715 PolarHBondContact O-N 2.98Å | ||
| 713 | N | 39 | Very low | 38.8 | Very low | 130 Ų | 130 | 122.1 Ų | 122.1 | 70% | 0.695 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | 44.5 | 168.3 | -161.9 | 25.9 | 0 | 0 | 0 | 111 | P711 S716 | P711-N713 PolarHBondContact O-N 3.21Å; N713-S716 PolarHBondContact OD1-OG 3.39Å |
| 714 | Y | 41.8 | Very low | 39.4 | Very low | 130 Ų | 130 | 120.3 Ų | 120.3 | 51% | 0.51 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -120.4 | -12.4 | 173.9 | -96.4 | -72 | 0 | 0 | 0 | 111.1 | T712 H811 | T712-Y714 PolarHBondContact O-N 2.92Å; Y714-H811 AromaticContact CE2-CE1 3.81Å; Y714-H811 AromaticContact CZ-CE1 3.77Å; Y714-H811 PolarHBondContact OH-NE2 2.88Å |
| 715 | D | 40.1 | Very low | 40.3 | Very low | 100 Ų | 100 | 122.6 Ų | 122.6 | 54% | 0.535 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -95.1 | -20.9 | -179.1 | -149.7 | 32.3 | 0 | 0 | 0 | 112.5 | T712 D717 W718 | T712-D715 PolarHBondContact O-N 2.98Å; D715-D717 VanDerWaalsContact C-N 3.29Å; D715-D717 PolarHBondContact O-N 3.01Å; D715-W718 PolarHBondContact O-N 2.88Å; D715-W718 VanDerWaalsContact OD1-CD1 3.26Å |
| 716 | S | 42 | Very low | 41.5 | Very low | 51 Ų | 51 | 125.4 Ų | 125.4 | 36% | 0.357 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -58.5 | -34.2 | 177 | 34.7 | 0 | 0 | 0 | 0 | 113.6 | N713 W718 Q719 T720 | N713-S716 PolarHBondContact OD1-OG 3.39Å; S716-W718 VanDerWaalsContact C-N 3.26Å; S716-W718 PolarHBondContact O-N 3.15Å; S716-Q719 PolarHBondContact O-N 3.47Å; S716-T720 PolarHBondContact O-OG1 2.72Å |
| 717 | D | 44 | Very low | 42.7 | Very low | 81 Ų | 81 | 122.4 Ų | 122.4 | 43% | 0.433 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -56.3 | -34.7 | 175.2 | -84.3 | -14.5 | 0 | 0 | 0 | 113.9 | D715 T720 R808 | D715-D717 VanDerWaalsContact C-N 3.29Å; D715-D717 PolarHBondContact O-N 3.01Å; D717-T720 VanDerWaalsContact C-OG1 3.28Å; D717-T720 WeakPolarHBondContact CA-OG1 3.48Å; D717-T720 PolarHBondContact O-OG1 3.13Å; D717-R808 IonicContact OD2-CZ 3.26Å; D717-R808 IonicContact OD2-NH2 2.69Å; D717-R808 PolarHBondContact OD2-NH2 2.84Å |
| 718 | W | 44.5 | Very low | 44.1 | Very low | 93 Ų | 93 | 121 Ų | 121 | 35% | 0.352 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -72.3 | -39.6 | -175.9 | -63 | 115.1 | 0 | 0 | 0 | 111.1 | D715 S716 T720 S721 M805 R808 | D715-W718 PolarHBondContact O-N 2.88Å; D715-W718 VanDerWaalsContact OD1-CD1 3.26Å; S716-W718 VanDerWaalsContact C-N 3.26Å; S716-W718 PolarHBondContact O-N 3.15Å; W718-T720 VanDerWaalsContact C-N 3.26Å; W718-T720 PolarHBondContact O-N 3.46Å; W718-S721 WeakPolarHBondContact O-CA 3.27Å; W718-S721 VanDerWaalsContact O-CB 3.25Å; W718-S721 WeakPolarHBondContact O-CB 3.15Å; W718-S721 PolarHBondContact O-N 3.22Å; W718-M805 HydrophobicContact CH2-SD 3.62Å; W718-M805 HydrophobicContact CZ2-SD 4.14Å; W718-R808 VanDerWaalsContact CH2-NH1 3.29Å |
| 719 | Q | 44.2 | Very low | 46.1 | Very low | 141 Ų | 141 | 112.9 Ų | 112.9 | 66% | 0.659 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.4 | -27.3 | 179.1 | -61.9 | -175.6 | -0.4 | 0 | 0 | 112.5 | S716 S721 | S716-Q719 PolarHBondContact O-N 3.47Å; Q719-S721 VanDerWaalsContact C-N 3.29Å |
| 720 | T | 45.6 | Very low | 48.3 | Very low | 85 Ų | 85 | 111.6 Ų | 111.6 | 52% | 0.521 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -70.8 | -19.7 | 168.2 | 33.7 | 0 | 0 | 0 | 0 | 114.1 | S716 D717 W718 | S716-T720 PolarHBondContact O-OG1 2.72Å; D717-T720 VanDerWaalsContact C-OG1 3.28Å; D717-T720 WeakPolarHBondContact CA-OG1 3.48Å; D717-T720 PolarHBondContact O-OG1 3.13Å; W718-T720 VanDerWaalsContact C-N 3.26Å; W718-T720 PolarHBondContact O-N 3.46Å |
| 721 | S | 45.1 | Very low | 50.7 | Low | 56 Ų | 56 | 102.8 Ų | 102.8 | 39% | 0.392 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -79.4 | -32.1 | 178 | -167.4 | 0 | 0 | 0 | 0 | 113.2 | W718 Q719 L724 | W718-S721 WeakPolarHBondContact O-CA 3.27Å; W718-S721 VanDerWaalsContact O-CB 3.25Å; W718-S721 WeakPolarHBondContact O-CB 3.15Å; W718-S721 PolarHBondContact O-N 3.22Å; Q719-S721 VanDerWaalsContact C-N 3.29Å; S721-L724 PolarHBondContact O-N 2.87Å |
| 722 | D | 49.3 | Very low | 52.8 | Low | 100 Ų | 100 | 98 Ų | 98 | 54% | 0.535 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -75.6 | -31.4 | 178.9 | -76.8 | -37.8 | 0 | 0 | 0 | 112.1 | L724 R725 | D722-L724 PolarHBondContact O-N 3.38Å; D722-L724 VanDerWaalsContact O-N 3.15Å; D722-R725 WeakPolarHBondContact O-CB 3.5Å; D722-R725 PolarHBondContact O-N 3.4Å |
| 723 | K | 50 | Low | 55.1 | Low | 169 Ų | 169 | 97.8 Ų | 97.8 | 74% | 0.735 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -14 | 172.5 | -68.7 | -174.3 | 177.7 | -178.9 | 0 | 114.5 | ||
| 724 | L | 49.3 | Very low | 57.3 | Low | 90 Ų | 90 | 95.7 Ų | 95.7 | 47% | 0.471 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 0.1 | 171.6 | -71.7 | 168.7 | 0 | 0 | 0 | 112.8 | S721 D722 | S721-L724 PolarHBondContact O-N 2.87Å; D722-L724 PolarHBondContact O-N 3.38Å; D722-L724 VanDerWaalsContact O-N 3.15Å |
| 725 | R | 51.8 | Low | 59.4 | Low | 202 Ų | 202 | 93.4 Ų | 93.4 | 76% | 0.762 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -27 | -177.5 | -156.5 | 172 | -164.9 | -91.9 | 0.1 | 112.8 | D722 | D722-R725 WeakPolarHBondContact O-CB 3.5Å; D722-R725 PolarHBondContact O-N 3.4Å |
| 726 | D | 54 | Low | 61.5 | Low | 143 Ų | 143 | 93.9 Ų | 93.9 | 77% | 0.765 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -88.6 | -6.4 | -179.6 | -58.8 | -28.4 | 0 | 0 | 0 | 113.2 | ||
| 727 | Q | 58.2 | Low | 63.6 | Low | 137 Ų | 137 | 96.5 Ų | 96.5 | 64% | 0.64 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -89.5 | 110.3 | 171.2 | -66.2 | -175.5 | -1.8 | 0 | 0 | 109.2 | H729 | Q727-H729 PolarHBondContact O-N 2.97Š|
| 728 | L | 62.6 | Low | 65.7 | Low | 103 Ų | 103 | 94.2 Ų | 94.2 | 54% | 0.539 | 46% | 0.458 | S | S | . | . | trans | -57.9 | 133.4 | 166 | -100.3 | 75.2 | 0 | 0 | 0 | 108.8 | M736 | L728-M736 HydrophobicContact CD2-SD 3.62Š| ||
| 729 | H | 72.5 | Confident | 67.6 | Low | 46 Ų | 46 | 90.9 Ų | 90.9 | 21% | 0.213 | 45% | 0.449 | C | S | . | . | trans | -61.2 | 136.9 | 173.2 | -175.2 | -104.1 | 0 | 0 | 0 | 109.2 | Q727 A731 A732 E733 Y790 Y793 | Q727-H729 PolarHBondContact O-N 2.97Å; H729-A731 VanDerWaalsContact ND1-CB 3.35Å; H729-A731 WeakPolarHBondContact ND1-CB 3.3Å; H729-A731 PolarHBondContact ND1-N 2.89Å; H729-A731 PolarHBondContact O-N 3.36Å; H729-A732 HydrophobicContact CB-CB 4.4Å; H729-A732 WeakPolarHBondContact O-CA 3.3Å; H729-A732 WeakPolarHBondContact O-CB 3.21Å; H729-A732 PolarHBondContact O-N 3.34Å; H729-E733 PolarHBondContact O-N 3.33Å; H729-Y790 HydrophobicContact CB-CD2 4.05Å; H729-Y790 HydrophobicContact CB-CE2 4.28Å; H729-Y793 HydrophobicContact CB-CD1 3.92Å; H729-Y793 HydrophobicContact CB-CE1 3.93Å; H729-Y793 AromaticContact CD2-CD1 3.47Å; H729-Y793 VanDerWaalsContact CD2-CD1 3.47Å; H729-Y793 WeakPolarHBondContact CD2-CD1 3.24Å; H729-Y793 AromaticContact CD2-CD2 3.56Å; H729-Y793 AromaticContact CD2-CE1 3.67Å; H729-Y793 AromaticContact CD2-CE2 3.77Å; H729-Y793 AromaticContact CD2-CG 3.4Å; H729-Y793 AromaticContact CD2-CZ 3.82Å; H729-Y793 AromaticContact CG-CD1 3.62Å; H729-Y793 AromaticContact CG-CE1 3.96Å; H729-Y793 AromaticContact CG-CG 3.9Å; H729-Y793 AromaticContact NE2-CD2 3.62Å; H729-Y793 AromaticContact NE2-CG 3.54Å | ||
| 730 | P | 78.1 | Confident | 69.6 | Low | 82 Ų | 82 | 89.8 Ų | 89.8 | 53% | 0.532 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -55.3 | -31.3 | -176 | -30.4 | 36.8 | 0 | 0 | 0 | 114.4 | E733 K734 | P730-E733 PolarHBondContact O-N 2.93Å; P730-K734 WeakPolarHBondContact O-CB 3.45Å; P730-K734 VanDerWaalsContact O-CG 3.31Å; P730-K734 WeakPolarHBondContact O-CG 3.47Å; P730-K734 PolarHBondContact O-N 3.29Å |
| 731 | A | 79.4 | Confident | 71.5 | Confident | 2 Ų | 2 | 89.4 Ų | 89.4 | 2% | 0.017 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -67.4 | -36.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | H729 Y735 Y786 E789 | H729-A731 VanDerWaalsContact ND1-CB 3.35Å; H729-A731 WeakPolarHBondContact ND1-CB 3.3Å; H729-A731 PolarHBondContact ND1-N 2.89Å; H729-A731 PolarHBondContact O-N 3.36Å; A731-Y735 VanDerWaalsContact O-CB 3.22Å; A731-Y735 WeakPolarHBondContact O-CB 3.33Å; A731-Y735 PolarHBondContact O-N 2.85Å; A731-Y786 HydrophobicContact CB-CD1 3.94Å; A731-Y786 WeakPolarHBondContact O-CB 3.49Å; A731-E789 HydrophobicContact CB-CB 3.68Å; A731-E789 WeakPolarHBondContact CB-OE2 3.5Å |
| 732 | A | 82.3 | Confident | 73.4 | Confident | 14 Ų | 14 | 88.5 Ų | 88.5 | 12% | 0.116 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -70.3 | -37.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | H729 Y735 M736 Y790 | H729-A732 HydrophobicContact CB-CB 4.4Å; H729-A732 WeakPolarHBondContact O-CA 3.3Å; H729-A732 WeakPolarHBondContact O-CB 3.21Å; H729-A732 PolarHBondContact O-N 3.34Å; A732-Y735 PolarHBondContact O-N 3.03Å; A732-M736 WeakPolarHBondContact O-CG 3.45Å; A732-M736 PolarHBondContact O-N 2.94Å; A732-Y790 HydrophobicContact CB-CD2 3.96Å; A732-Y790 HydrophobicContact CB-CE2 4.09Å; A732-Y790 HydrophobicContact CB-CG 4.24Å |
| 733 | E | 83.8 | Confident | 75 | Confident | 99 Ų | 99 | 90.1 Ų | 90.1 | 46% | 0.463 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.9 | -48 | 173.4 | -164.9 | -169.7 | 166.6 | 0 | 0 | 111.4 | H729 P730 Y735 M736 Q737 | H729-E733 PolarHBondContact O-N 3.33Å; P730-E733 PolarHBondContact O-N 2.93Å; E733-Y735 VanDerWaalsContact C-N 3.35Å; E733-Y735 PolarHBondContact O-N 2.89Å; E733-M736 WeakPolarHBondContact O-CB 3.18Å; E733-M736 PolarHBondContact O-N 2.98Å; E733-M736 VanDerWaalsContact O-N 3.11Å; E733-Q737 WeakPolarHBondContact O-CG 3.25Å; E733-Q737 PolarHBondContact O-N 2.88Å; E733-Q737 PolarHBondContact OE1-NE2 2.97Å; E733-Q737 VanDerWaalsContact OE1-NE2 3.16Å |
| 734 | K | 83.8 | Confident | 76.5 | Confident | 86 Ų | 86 | 86.3 Ų | 86.3 | 37% | 0.374 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.1 | -38.6 | 174.1 | -74.6 | -179.3 | 174.8 | -175.3 | 0 | 113 | P730 M736 Q737 L738 Y786 | P730-K734 WeakPolarHBondContact O-CB 3.45Å; P730-K734 VanDerWaalsContact O-CG 3.31Å; P730-K734 WeakPolarHBondContact O-CG 3.47Å; P730-K734 PolarHBondContact O-N 3.29Å; K734-M736 VanDerWaalsContact C-N 3.31Å; K734-M736 PolarHBondContact O-N 3.29Å; K734-Q737 PolarHBondContact O-N 3.37Å; K734-L738 WeakPolarHBondContact O-CB 3.28Å; K734-L738 WeakPolarHBondContact O-CG 3.45Å; K734-L738 PolarHBondContact O-N 2.93Å; K734-Y786 HydrophobicContact CB-CD1 4.11Å; K734-Y786 HydrophobicContact CB-CD2 4.07Å; K734-Y786 HydrophobicContact CB-CE1 4.26Å; K734-Y786 HydrophobicContact CB-CE2 4.22Å; K734-Y786 HydrophobicContact CB-CG 4.03Å; K734-Y786 HydrophobicContact CD-CD1 3.9Å; K734-Y786 HydrophobicContact CD-CE1 3.3Å; K734-Y786 HydrophobicContact CD-CE2 4.04Å; K734-Y786 HydrophobicContact CG-CE1 4.48Å; K734-Y786 PolarHBondContact NZ-OH 3.2Å |
| 735 | Y | 87.7 | Confident | 78 | Confident | 81 Ų | 81 | 83.6 Ų | 83.6 | 32% | 0.318 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59 | -44.7 | 171.7 | 176.1 | -85.6 | 0 | 0 | 0 | 110.6 | A731 A732 E733 S739 M783 Q787 | A731-Y735 VanDerWaalsContact O-CB 3.22Å; A731-Y735 WeakPolarHBondContact O-CB 3.33Å; A731-Y735 PolarHBondContact O-N 2.85Å; A732-Y735 PolarHBondContact O-N 3.03Å; E733-Y735 VanDerWaalsContact C-N 3.35Å; E733-Y735 PolarHBondContact O-N 2.89Å; Y735-S739 WeakPolarHBondContact O-CB 3.41Å; Y735-S739 PolarHBondContact O-N 3.11Å; Y735-S739 PolarHBondContact O-OG 2.82Å; Y735-M783 HydrophobicContact CD2-CB 4.27Å; Y735-M783 VanDerWaalsContact CD2-O 3.31Å; Y735-M783 WeakPolarHBondContact CD2-O 3.36Å; Y735-M783 HydrophobicContact CE2-CB 4.13Å; Y735-M783 HydrophobicContact CE2-CE 4.14Å; Y735-Q787 HydrophobicContact CD2-CB 4.17Å; Y735-Q787 HydrophobicContact CE2-CB 4.19Å |
| 736 | M | 84 | Confident | 79.2 | Confident | 110 Ų | 110 | 76.1 Ų | 76.1 | 54% | 0.542 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.8 | -46.1 | 175.2 | -74.6 | 178.6 | 61.2 | 0 | 0 | 111.7 | L728 A732 E733 K734 S739 K740 | L728-M736 HydrophobicContact CD2-SD 3.62Å; A732-M736 WeakPolarHBondContact O-CG 3.45Å; A732-M736 PolarHBondContact O-N 2.94Å; E733-M736 WeakPolarHBondContact O-CB 3.18Å; E733-M736 PolarHBondContact O-N 2.98Å; E733-M736 VanDerWaalsContact O-N 3.11Å; K734-M736 VanDerWaalsContact C-N 3.31Å; K734-M736 PolarHBondContact O-N 3.29Å; M736-S739 WeakPolarHBondContact CA-OG 3.29Å; M736-S739 PolarHBondContact O-N 3.2Å; M736-S739 PolarHBondContact O-OG 3.4Å; M736-K740 WeakPolarHBondContact O-CB 3.45Å; M736-K740 PolarHBondContact O-N 3.2Å |
| 737 | Q | 86.3 | Confident | 80.3 | Confident | 107 Ų | 107 | 71.5 Ų | 71.5 | 50% | 0.5 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.2 | -48.7 | 177.2 | -69.2 | 168.3 | 5.9 | 0 | 0 | 112 | E733 K734 K740 Q741 | E733-Q737 WeakPolarHBondContact O-CG 3.25Å; E733-Q737 PolarHBondContact O-N 2.88Å; E733-Q737 PolarHBondContact OE1-NE2 2.97Å; E733-Q737 VanDerWaalsContact OE1-NE2 3.16Å; K734-Q737 PolarHBondContact O-N 3.37Å; Q737-K740 WeakPolarHBondContact O-CB 3.43Å; Q737-K740 PolarHBondContact O-N 3.1Å; Q737-Q741 PolarHBondContact O-N 3.47Å |
| 738 | L | 86.3 | Confident | 80.9 | Confident | 33 Ų | 33 | 71.3 Ų | 71.3 | 17% | 0.173 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70.6 | -32.8 | 178.2 | -71.7 | 163.4 | 0 | 0 | 0 | 112.6 | K734 F742 L779 A782 M783 Y786 | K734-L738 WeakPolarHBondContact O-CB 3.28Å; K734-L738 WeakPolarHBondContact O-CG 3.45Å; K734-L738 PolarHBondContact O-N 2.93Å; L738-F742 WeakPolarHBondContact O-CB 3.4Å; L738-F742 PolarHBondContact O-N 3.43Å; L738-L779 HydrophobicContact CB-CD2 4.41Å; L738-L779 HydrophobicContact CD2-CD2 3.75Å; L738-A782 HydrophobicContact CD1-CB 3.86Å; L738-M783 HydrophobicContact CB-CG 3.91Å; L738-Y786 HydrophobicContact CD1-CD2 3.47Å; L738-Y786 VanDerWaalsContact CD1-CD2 3.47Å; L738-Y786 HydrophobicContact CD1-CE2 3.55Å |
| 739 | S | 84.6 | Confident | 81.1 | Confident | 22 Ų | 22 | 69.2 Ų | 69.2 | 15% | 0.154 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.1 | -38.5 | 172.2 | 74.9 | 0 | 0 | 0 | 0 | 111.6 | Y735 M736 F742 F743 | Y735-S739 WeakPolarHBondContact O-CB 3.41Å; Y735-S739 PolarHBondContact O-N 3.11Å; Y735-S739 PolarHBondContact O-OG 2.82Å; M736-S739 WeakPolarHBondContact CA-OG 3.29Å; M736-S739 PolarHBondContact O-N 3.2Å; M736-S739 PolarHBondContact O-OG 3.4Å; S739-F742 PolarHBondContact O-N 3.43Å; S739-F743 WeakPolarHBondContact O-CD2 3.46Å; S739-F743 PolarHBondContact O-N 3.03Å |
| 740 | K | 86.4 | Confident | 80.6 | Confident | 118 Ų | 118 | 74.8 Ų | 74.8 | 51% | 0.513 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.4 | -50.2 | 174 | 177.9 | -180 | 175.3 | -72.4 | 0 | 110.1 | M736 Q737 F742 F743 E744 | M736-K740 WeakPolarHBondContact O-CB 3.45Å; M736-K740 PolarHBondContact O-N 3.2Å; Q737-K740 WeakPolarHBondContact O-CB 3.43Å; Q737-K740 PolarHBondContact O-N 3.1Å; K740-F742 PolarHBondContact O-N 2.92Å; K740-F743 PolarHBondContact O-N 3.47Å; K740-F743 VanDerWaalsContact O-N 3.14Å; K740-E744 WeakPolarHBondContact CE-OE1 3.47Å; K740-E744 HydrophobicContact CG-CG 4.46Å; K740-E744 WeakPolarHBondContact CG-OE2 3.4Å; K740-E744 IonicContact NZ-OE1 2.62Å; K740-E744 PolarHBondContact NZ-OE1 3.4Å; K740-E744 IonicContact NZ-OE2 2.65Å; K740-E744 PolarHBondContact NZ-OE2 3.32Å; K740-E744 WeakPolarHBondContact O-CG 3.4Å; K740-E744 PolarHBondContact O-N 2.94Å |
| 741 | Q | 85.4 | Confident | 79.7 | Confident | 77 Ų | 77 | 76.4 Ų | 76.4 | 36% | 0.36 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -56.6 | -48.2 | 174.5 | 179.9 | 176.3 | 1 | 0 | 0 | 111.5 | Q737 F743 E744 D745 L779 | Q737-Q741 PolarHBondContact O-N 3.47Å; Q741-F743 VanDerWaalsContact C-N 3.25Å; Q741-F743 PolarHBondContact O-N 3.07Å; Q741-E744 PolarHBondContact O-N 2.97Å; Q741-E744 VanDerWaalsContact O-N 3.09Å; Q741-D745 VanDerWaalsContact CG-OD2 3.29Å; Q741-D745 WeakPolarHBondContact CG-OD2 3.12Å; Q741-D745 PolarHBondContact NE2-OD2 2.88Å; Q741-D745 WeakPolarHBondContact O-CB 3.37Å; Q741-D745 PolarHBondContact O-N 3.32Å; Q741-L779 HydrophobicContact CB-CD2 4.25Å; Q741-L779 HydrophobicContact CG-CD1 4.48Å; Q741-L779 HydrophobicContact CG-CD2 4.03Å |
| 742 | F | 85.5 | Confident | 78.6 | Confident | 38 Ų | 38 | 81.5 Ų | 81.5 | 17% | 0.167 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -57.9 | -35.3 | 177.2 | 178.3 | -94.7 | 0 | 0 | 0 | 112.9 | L738 S739 K740 L746 F776 L779 M783 | L738-F742 WeakPolarHBondContact O-CB 3.4Å; L738-F742 PolarHBondContact O-N 3.43Å; S739-F742 PolarHBondContact O-N 3.43Å; K740-F742 PolarHBondContact O-N 2.92Å; F742-L746 HydrophobicContact CD1-CD1 3.88Å; F742-L746 HydrophobicContact CE1-CD1 3.43Å; F742-L746 VanDerWaalsContact CE1-CD1 3.43Å; F742-L746 HydrophobicContact CE1-CG 4.45Å; F742-L746 HydrophobicContact CZ-CD1 3.81Å; F742-L746 VanDerWaalsContact O-CB 3.29Å; F742-L746 WeakPolarHBondContact O-CB 3.22Å; F742-L746 WeakPolarHBondContact O-CD1 3.29Å; F742-L746 WeakPolarHBondContact O-CG 3.31Å; F742-L746 PolarHBondContact O-N 2.91Å; F742-L746 VanDerWaalsContact O-N 3.17Å; F742-F776 AromaticContact CD2-CD1 3.87Å; F742-F776 HydrophobicContact CD2-CD1 3.87Å; F742-F776 HydrophobicContact CE2-CB 4.18Å; F742-F776 AromaticContact CE2-CD1 3.76Å; F742-F776 HydrophobicContact CE2-CD1 3.76Å; F742-F776 HydrophobicContact CE2-CG 4.37Å; F742-L779 HydrophobicContact CB-CD2 4.4Å; F742-L779 HydrophobicContact CD2-CB 3.98Å; F742-M783 HydrophobicContact CB-SD 3.91Å; F742-M783 HydrophobicContact CD1-SD 4.45Å; F742-M783 HydrophobicContact CD2-SD 4.46Å; F742-M783 HydrophobicContact CG-SD 4.04Å |
| 743 | F | 82.7 | Confident | 77.1 | Confident | 134 Ų | 134 | 86.8 Ų | 86.8 | 59% | 0.588 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -79.8 | -30 | 174.6 | -71.8 | -56 | 0 | 0 | 0 | 113.9 | S739 K740 Q741 L746 A747 | S739-F743 WeakPolarHBondContact O-CD2 3.46Å; S739-F743 PolarHBondContact O-N 3.03Å; K740-F743 PolarHBondContact O-N 3.47Å; K740-F743 VanDerWaalsContact O-N 3.14Å; Q741-F743 VanDerWaalsContact C-N 3.25Å; Q741-F743 PolarHBondContact O-N 3.07Å; F743-L746 HydrophobicContact CD1-CD1 4.35Å; F743-A747 VanDerWaalsContact O-CB 3.32Å; F743-A747 WeakPolarHBondContact O-CB 3.26Å; F743-A747 PolarHBondContact O-N 2.87Å |
| 744 | E | 82.2 | Confident | 75.5 | Confident | 89 Ų | 89 | 86.3 Ų | 86.3 | 42% | 0.416 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -70.4 | -50.1 | 173.1 | -73.7 | 174.7 | 142.8 | 0 | 0 | 110.7 | K740 Q741 L746 A747 E748 | K740-E744 WeakPolarHBondContact CE-OE1 3.47Å; K740-E744 HydrophobicContact CG-CG 4.46Å; K740-E744 WeakPolarHBondContact CG-OE2 3.4Å; K740-E744 IonicContact NZ-OE1 2.62Å; K740-E744 PolarHBondContact NZ-OE1 3.4Å; K740-E744 IonicContact NZ-OE2 2.65Å; K740-E744 PolarHBondContact NZ-OE2 3.32Å; K740-E744 WeakPolarHBondContact O-CG 3.4Å; K740-E744 PolarHBondContact O-N 2.94Å; Q741-E744 PolarHBondContact O-N 2.97Å; Q741-E744 VanDerWaalsContact O-N 3.09Å; E744-L746 VanDerWaalsContact C-N 3.26Å; E744-L746 PolarHBondContact O-N 3.27Å; E744-A747 WeakPolarHBondContact O-CA 3.49Å; E744-A747 WeakPolarHBondContact O-CB 3.35Å; E744-A747 PolarHBondContact O-N 2.83Å; E744-E748 PolarHBondContact O-N 2.92Å |
| 745 | D | 80.6 | Confident | 73.7 | Confident | 33 Ų | 33 | 91.3 Ų | 91.3 | 18% | 0.176 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -61.3 | -33.8 | 176.3 | -60.8 | -5.6 | 0 | 0 | 0 | 111.7 | Q741 L749 H775 F776 L779 | Q741-D745 VanDerWaalsContact CG-OD2 3.29Å; Q741-D745 WeakPolarHBondContact CG-OD2 3.12Å; Q741-D745 PolarHBondContact NE2-OD2 2.88Å; Q741-D745 WeakPolarHBondContact O-CB 3.37Å; Q741-D745 PolarHBondContact O-N 3.32Å; D745-L749 PolarHBondContact O-N 3.5Å; D745-H775 IonicContact OD2-CD2 3.62Å; D745-H775 IonicContact OD2-CE1 2.67Å; D745-H775 IonicContact OD2-NE2 2.67Å; D745-H775 PolarHBondContact OD2-NE2 3.35Å; D745-F776 HydrophobicContact CB-CE1 3.91Å; D745-F776 HydrophobicContact CB-CZ 4.38Å; D745-L779 WeakPolarHBondContact OD2-CD1 3.44Å |
| 746 | L | 77.7 | Confident | 71.6 | Confident | 45 Ų | 45 | 97.8 Ų | 97.8 | 24% | 0.236 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -68.8 | -42.4 | 169.5 | -83.2 | 174.8 | 0 | 0 | 0 | 112.2 | F742 F743 E744 L749 Y750 F776 | F742-L746 HydrophobicContact CD1-CD1 3.88Å; F742-L746 HydrophobicContact CE1-CD1 3.43Å; F742-L746 VanDerWaalsContact CE1-CD1 3.43Å; F742-L746 HydrophobicContact CE1-CG 4.45Å; F742-L746 HydrophobicContact CZ-CD1 3.81Å; F742-L746 VanDerWaalsContact O-CB 3.29Å; F742-L746 WeakPolarHBondContact O-CB 3.22Å; F742-L746 WeakPolarHBondContact O-CD1 3.29Å; F742-L746 WeakPolarHBondContact O-CG 3.31Å; F742-L746 PolarHBondContact O-N 2.91Å; F742-L746 VanDerWaalsContact O-N 3.17Å; F743-L746 HydrophobicContact CD1-CD1 4.35Å; E744-L746 VanDerWaalsContact C-N 3.26Å; E744-L746 PolarHBondContact O-N 3.27Å; L746-L749 PolarHBondContact O-N 3.44Å; L746-Y750 VanDerWaalsContact O-CD2 3.25Å; L746-Y750 WeakPolarHBondContact O-CD2 3.4Å; L746-Y750 PolarHBondContact O-N 3.22Å; L746-Y750 VanDerWaalsContact O-N 3.1Å; L746-F776 HydrophobicContact CB-CE1 4.44Å; L746-F776 HydrophobicContact CD2-CD1 4.26Å; L746-F776 HydrophobicContact CD2-CE1 3.75Å; L746-F776 HydrophobicContact CD2-CE2 4.41Å; L746-F776 HydrophobicContact CD2-CZ 3.85Å; L746-F776 HydrophobicContact CG-CD1 4.26Å; L746-F776 HydrophobicContact CG-CE1 3.68Å; L746-F776 HydrophobicContact CG-CZ 4.19Å |
| 747 | A | 76 | Confident | 69.6 | Low | 45 Ų | 45 | 100.8 Ų | 100.8 | 37% | 0.372 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.3 | -42 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F743 E744 L749 Y750 D751 | F743-A747 VanDerWaalsContact O-CB 3.32Å; F743-A747 WeakPolarHBondContact O-CB 3.26Å; F743-A747 PolarHBondContact O-N 2.87Å; E744-A747 WeakPolarHBondContact O-CA 3.49Å; E744-A747 WeakPolarHBondContact O-CB 3.35Å; E744-A747 PolarHBondContact O-N 2.83Å; A747-L749 VanDerWaalsContact C-N 3.29Å; A747-L749 PolarHBondContact O-N 3Å; A747-Y750 PolarHBondContact O-N 3.11Å; A747-D751 PolarHBondContact O-N 3.07Å |
| 748 | E | 71.5 | Confident | 67.3 | Low | 134 Ų | 134 | 101.5 Ų | 101.5 | 63% | 0.626 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.8 | -37.2 | 175.7 | -68.6 | -170.4 | 177.9 | 0 | 0 | 112.4 | E744 T752 | E744-E748 PolarHBondContact O-N 2.92Å; E748-T752 WeakPolarHBondContact O-CB 3.34Å; E748-T752 VanDerWaalsContact O-CG2 3.3Å; E748-T752 WeakPolarHBondContact O-CG2 3.23Å; E748-T752 PolarHBondContact O-N 2.99Å; E748-T752 PolarHBondContact O-OG1 3.27Å |
| 749 | L | 65.7 | Low | 65 | Low | 59 Ų | 59 | 103.3 Ų | 103.3 | 31% | 0.309 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -74 | -21.5 | 173.2 | -71.4 | -167.9 | 0 | 0 | 0 | 114.8 | D745 L746 A747 T752 D772 F776 | D745-L749 PolarHBondContact O-N 3.5Å; L746-L749 PolarHBondContact O-N 3.44Å; A747-L749 VanDerWaalsContact C-N 3.29Å; A747-L749 PolarHBondContact O-N 3Å; L749-T752 WeakPolarHBondContact CA-OG1 3.36Å; L749-T752 PolarHBondContact O-OG1 3.31Å; L749-D772 HydrophobicContact CD1-CB 4.24Å; L749-F776 HydrophobicContact CD1-CE2 3.41Å; L749-F776 VanDerWaalsContact CD1-CE2 3.41Å; L749-F776 HydrophobicContact CD1-CZ 3.64Å; L749-F776 HydrophobicContact CG-CZ 4.35Å |
| 750 | Y | 63.5 | Low | 63 | Low | 163 Ų | 163 | 111.3 Ų | 111.3 | 64% | 0.639 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -82.4 | -42.5 | 171.3 | -83.1 | -70.3 | 0 | 0 | 0 | 111.7 | L746 A747 R753 S754 | L746-Y750 VanDerWaalsContact O-CD2 3.25Å; L746-Y750 WeakPolarHBondContact O-CD2 3.4Å; L746-Y750 PolarHBondContact O-N 3.22Å; L746-Y750 VanDerWaalsContact O-N 3.1Å; A747-Y750 PolarHBondContact O-N 3.11Å; Y750-R753 CarbonylContact O-C 3.56Å; Y750-R753 WeakPolarHBondContact O-CA 3.4Å; Y750-R753 WeakPolarHBondContact O-CB 3.26Å; Y750-R753 PolarHBondContact O-N 3.11Å; Y750-S754 WeakPolarHBondContact O-CB 3.47Å; Y750-S754 PolarHBondContact O-N 3.22Å |
| 751 | D | 58.9 | Low | 60.5 | Low | 116 Ų | 116 | 114.2 Ų | 114.2 | 62% | 0.62 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.3 | -41.6 | 178.1 | -81 | -18.9 | 0 | 0 | 0 | 111.9 | A747 R753 S754 | A747-D751 PolarHBondContact O-N 3.07Å; D751-R753 PolarHBondContact O-N 3.22Å; D751-S754 WeakPolarHBondContact O-CB 3.4Å; D751-S754 PolarHBondContact O-N 2.94Å |
| 752 | T | 56 | Low | 58 | Low | 109 Ų | 109 | 115.8 Ų | 115.8 | 67% | 0.669 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65 | -17.1 | 172.3 | 51.7 | 0 | 0 | 0 | 0 | 113.9 | E748 L749 | E748-T752 WeakPolarHBondContact O-CB 3.34Å; E748-T752 VanDerWaalsContact O-CG2 3.3Å; E748-T752 WeakPolarHBondContact O-CG2 3.23Å; E748-T752 PolarHBondContact O-N 2.99Å; E748-T752 PolarHBondContact O-OG1 3.27Å; L749-T752 WeakPolarHBondContact CA-OG1 3.36Å; L749-T752 PolarHBondContact O-OG1 3.31Å |
| 753 | R | 49.7 | Very low | 55.6 | Low | 124 Ų | 124 | 118.8 Ų | 118.8 | 47% | 0.468 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -88.8 | -23.7 | 170.3 | -137.3 | 173.7 | -149.8 | -170.4 | 8.9 | 112.5 | Y750 D751 R756 I765 A766 | Y750-R753 CarbonylContact O-C 3.56Å; Y750-R753 WeakPolarHBondContact O-CA 3.4Å; Y750-R753 WeakPolarHBondContact O-CB 3.26Å; Y750-R753 PolarHBondContact O-N 3.11Å; D751-R753 PolarHBondContact O-N 3.22Å; R753-R756 PolarHBondContact O-N 3.38Å; R753-I765 PolarHBondContact NH1-O 2.9Å; R753-I765 PolarHBondContact NH2-O 3.06Å; R753-A766 PolarHBondContact NH2-O 3.44Å |
| 754 | S | 50.4 | Low | 53.4 | Low | 90 Ų | 90 | 118.1 Ų | 118.1 | 63% | 0.629 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -73.5 | -29.9 | -168.3 | -156.3 | 0 | 0 | 0 | 0 | 114.3 | Y750 D751 R756 | Y750-S754 WeakPolarHBondContact O-CB 3.47Å; Y750-S754 PolarHBondContact O-N 3.22Å; D751-S754 WeakPolarHBondContact O-CB 3.4Å; D751-S754 PolarHBondContact O-N 2.94Å; S754-R756 PolarHBondContact O-N 2.92Å; S754-R756 VanDerWaalsContact O-N 3.13Å |
| 755 | E | 47 | Very low | 51.4 | Low | 190 Ų | 190 | 119.7 Ų | 119.7 | 89% | 0.888 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -1.7 | 176.3 | -69 | -160.6 | 140.1 | 0 | 0 | 114.3 | ||
| 756 | R | 43 | Very low | 49.5 | Very low | 218 Ų | 218 | 120.7 Ų | 120.7 | 82% | 0.823 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -116.8 | 87.4 | -179.9 | -70.1 | -169.7 | -176.2 | 170.3 | 5.8 | 113.8 | R753 S754 | R753-R756 PolarHBondContact O-N 3.38Å; S754-R756 PolarHBondContact O-N 2.92Å; S754-R756 VanDerWaalsContact O-N 3.13Å |
| 757 | L | 41.6 | Very low | 48 | Very low | 172 Ų | 172 | 125.6 Ų | 125.6 | 90% | 0.901 | 69% | 0.694 | S | S | * | * | trans | 73.9 | 126 | 160.7 | -57.7 | 172 | 0 | 0 | 0 | 116.6 | ||||
| 758 | S | 38.8 | Very low | 46.8 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 86% | 0.86 | 70% | 0.699 | S | S | * | * | trans | -71.8 | 145.9 | 171.7 | 53.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 759 | G | 38.4 | Very low | 46 | Very low | 70 Ų | 70 | 125.2 Ų | 125.2 | 72% | 0.722 | 69% | 0.693 | S | S | * | * | trans | 133.8 | 111.5 | 152 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 760 | E | 41.1 | Very low | 45.6 | Very low | 190 Ų | 190 | 130.5 Ų | 130.5 | 89% | 0.888 | 72% | 0.716 | S | S | * | * | trans | 61 | 99.8 | 143.2 | -62.4 | 177.5 | 172.7 | 0 | 0 | 119.9 | ||||
| 761 | E | 34.5 | Very low | 45.5 | Very low | 180 Ų | 180 | 126.1 Ų | 126.1 | 84% | 0.841 | 71% | 0.713 | S | S | * | * | trans | 67.5 | 97.6 | 134.9 | -52.7 | -158 | 157.7 | 0 | 0 | 121.2 | S763 | E761-S763 PolarHBondContact O-N 3.23Š| ||
| 762 | A | 34 | Very low | 45.8 | Very low | 109 Ų | 109 | 123.1 Ų | 123.1 | 90% | 0.901 | 70% | 0.698 | S | S | * | * | 58.4 | 54.9 | 123.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 763 | S | 35.3 | Very low | 46.5 | Very low | 101 Ų | 101 | 126 Ų | 126 | 71% | 0.706 | 70% | 0.696 | S | S | * | * | trans | -138.6 | 162.7 | 158.8 | 63.1 | 0 | 0 | 0 | 0 | 112.9 | E761 I765 | E761-S763 PolarHBondContact O-N 3.23Å; S763-I765 WeakPolarHBondContact O-CG1 3.26Å; S763-I765 PolarHBondContact O-N 2.86Å | ||
| 764 | S | 36.6 | Very low | 47.9 | Very low | 120 Ų | 120 | 126.6 Ų | 126.6 | 84% | 0.839 | 70% | 0.704 | S | S | * | * | trans | -49.5 | 107.9 | -174.4 | 165.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 765 | I | 39 | Very low | 49.2 | Very low | 122 Ų | 122 | 126 Ų | 126 | 63% | 0.626 | 69% | 0.692 | S | S | * | * | trans | -119.1 | 75.1 | 171 | -44.5 | -173.2 | 0 | 0 | 0 | 112.6 | R753 S763 | R753-I765 PolarHBondContact NH1-O 2.9Å; R753-I765 PolarHBondContact NH2-O 3.06Å; S763-I765 WeakPolarHBondContact O-CG1 3.26Å; S763-I765 PolarHBondContact O-N 2.86Å | ||
| 766 | A | 40.7 | Very low | 50.9 | Low | 54 Ų | 54 | 118.1 Ų | 118.1 | 45% | 0.446 | 65% | 0.654 | S | S | . | * | 47 | 133 | 120.3 | 0 | 0 | 0 | 0 | 0 | 120.5 | R753 | R753-A766 PolarHBondContact NH2-O 3.44Š| |||
| 767 | D | 46.6 | Very low | 52.9 | Low | 149 Ų | 149 | 112.1 Ų | 112.1 | 80% | 0.797 | 64% | 0.638 | S | S | * | * | trans | 50.2 | 71.2 | 145.9 | -53.7 | -13.5 | 0 | 0 | 0 | 116.7 | ||||
| 768 | I | 51.6 | Low | 55 | Low | 93 Ų | 93 | 108.3 Ų | 108.3 | 48% | 0.477 | 62% | 0.622 | S | S | . | * | trans | -64.1 | 131.2 | 149.6 | -62.6 | 170.8 | 0 | 0 | 0 | 107.7 | D772 R773 | I768-D772 HydrophobicContact CG2-CB 3.6Å; I768-R773 HydrophobicContact CG2-CB 4.49Å | ||
| 769 | P | 54.7 | Low | 57.3 | Low | 78 Ų | 78 | 102.8 Ų | 102.8 | 51% | 0.506 | 58% | 0.583 | S | S | . | * | trans | -51.5 | 148.2 | 174.3 | -27.6 | 34.8 | 0 | 0 | 0 | 113.5 | A771 D772 R773 | P769-A771 VanDerWaalsContact C-N 3.27Å; P769-A771 PolarHBondContact O-N 3.47Å; P769-D772 VanDerWaalsContact CD-OD2 3.3Å; P769-D772 WeakPolarHBondContact CD-OD2 3.32Å; P769-D772 WeakPolarHBondContact CG-OD2 3.44Å; P769-D772 PolarHBondContact O-N 3.18Å; P769-D772 VanDerWaalsContact O-N 3.15Å; P769-R773 PolarHBondContact O-N 3.15Å | ||
| 770 | E | 57.1 | Low | 59.6 | Low | 169 Ų | 169 | 105.2 Ų | 105.2 | 79% | 0.79 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -58.3 | -37.9 | -176.4 | -72.7 | -173.7 | 127.6 | 0 | 0 | 112.9 | D772 R773 E774 | E770-D772 PolarHBondContact O-N 3.06Å; E770-R773 WeakPolarHBondContact O-CB 3.35Å; E770-R773 PolarHBondContact O-N 2.88Å; E770-E774 PolarHBondContact O-N 3.13Å |
| 771 | A | 60.5 | Low | 61.9 | Low | 71 Ų | 71 | 100.6 Ų | 100.6 | 59% | 0.587 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.7 | -46.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P769 R773 E774 H775 | P769-A771 VanDerWaalsContact C-N 3.27Å; P769-A771 PolarHBondContact O-N 3.47Å; A771-R773 VanDerWaalsContact C-N 3.3Å; A771-R773 PolarHBondContact O-N 3.19Å; A771-E774 PolarHBondContact O-N 3.47Å; A771-H775 PolarHBondContact O-N 3.32Å |
| 772 | D | 64.8 | Low | 64.4 | Low | 54 Ų | 54 | 93 Ų | 93 | 29% | 0.289 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.6 | -34.8 | 179.8 | -53.8 | -28.6 | 0 | 0 | 0 | 110.5 | L749 I768 P769 E770 H775 F776 | L749-D772 HydrophobicContact CD1-CB 4.24Å; I768-D772 HydrophobicContact CG2-CB 3.6Å; P769-D772 VanDerWaalsContact CD-OD2 3.3Å; P769-D772 WeakPolarHBondContact CD-OD2 3.32Å; P769-D772 WeakPolarHBondContact CG-OD2 3.44Å; P769-D772 PolarHBondContact O-N 3.18Å; P769-D772 VanDerWaalsContact O-N 3.15Å; E770-D772 PolarHBondContact O-N 3.06Å; D772-H775 WeakPolarHBondContact O-CB 3.34Å; D772-H775 PolarHBondContact O-N 2.94Å; D772-F776 HydrophobicContact CB-CE2 4.32Å; D772-F776 WeakPolarHBondContact O-CD2 3.4Å; D772-F776 PolarHBondContact O-N 3.39Å |
| 773 | R | 71 | Confident | 66.9 | Low | 168 Ų | 168 | 88.9 Ų | 88.9 | 63% | 0.634 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.7 | -41.2 | 174.9 | -177.1 | 178.4 | 178.4 | 169.8 | -0.5 | 112.3 | I768 P769 E770 A771 H775 L777 | I768-R773 HydrophobicContact CG2-CB 4.49Å; P769-R773 PolarHBondContact O-N 3.15Å; E770-R773 WeakPolarHBondContact O-CB 3.35Å; E770-R773 PolarHBondContact O-N 2.88Å; A771-R773 VanDerWaalsContact C-N 3.3Å; A771-R773 PolarHBondContact O-N 3.19Å; R773-H775 VanDerWaalsContact C-N 3.34Å; R773-L777 HydrophobicContact CG-CD1 4.23Å; R773-L777 WeakPolarHBondContact O-CB 3.41Å; R773-L777 VanDerWaalsContact O-CG 3.27Å; R773-L777 WeakPolarHBondContact O-CG 3.41Å; R773-L777 PolarHBondContact O-N 3.46Å; R773-L777 VanDerWaalsContact O-N 3.12Å |
| 774 | E | 78.3 | Confident | 69.4 | Low | 138 Ų | 138 | 88.3 Ų | 88.3 | 65% | 0.645 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.7 | -39.3 | 173.5 | -71.5 | -170 | 153.8 | 0 | 0 | 111.5 | E770 A771 L777 T778 | E770-E774 PolarHBondContact O-N 3.13Å; A771-E774 PolarHBondContact O-N 3.47Å; E774-L777 PolarHBondContact O-N 3.01Å; E774-T778 WeakPolarHBondContact O-CB 3.38Å; E774-T778 PolarHBondContact O-N 3.35Å; E774-T778 PolarHBondContact O-OG1 2.89Å |
| 775 | H | 79.6 | Confident | 72 | Confident | 78 Ų | 78 | 87.8 Ų | 87.8 | 36% | 0.361 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.2 | -52.2 | 176.4 | -176.4 | 54.7 | 0 | 0 | 0 | 112.5 | D745 A771 D772 R773 L777 T778 L779 | D745-H775 IonicContact OD2-CD2 3.62Å; D745-H775 IonicContact OD2-CE1 2.67Å; D745-H775 IonicContact OD2-NE2 2.67Å; D745-H775 PolarHBondContact OD2-NE2 3.35Å; A771-H775 PolarHBondContact O-N 3.32Å; D772-H775 WeakPolarHBondContact O-CB 3.34Å; D772-H775 PolarHBondContact O-N 2.94Å; R773-H775 VanDerWaalsContact C-N 3.34Å; H775-L777 VanDerWaalsContact C-N 3.32Å; H775-L777 PolarHBondContact O-N 2.9Å; H775-T778 WeakPolarHBondContact O-CB 3.37Å; H775-T778 PolarHBondContact O-N 2.89Å; H775-T778 VanDerWaalsContact O-N 3.13Å; H775-L779 WeakPolarHBondContact NE2-CD1 3.33Å; H775-L779 PolarHBondContact O-N 2.92Å |
| 776 | F | 81.8 | Confident | 74.3 | Confident | 24 Ų | 24 | 84.2 Ų | 84.2 | 11% | 0.105 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -64.2 | -33.6 | 176.8 | -68.6 | -60.7 | 0 | 0 | 0 | 113.6 | F742 D745 L746 L749 D772 K780 | F742-F776 AromaticContact CD2-CD1 3.87Å; F742-F776 HydrophobicContact CD2-CD1 3.87Å; F742-F776 HydrophobicContact CE2-CB 4.18Å; F742-F776 AromaticContact CE2-CD1 3.76Å; F742-F776 HydrophobicContact CE2-CD1 3.76Å; F742-F776 HydrophobicContact CE2-CG 4.37Å; D745-F776 HydrophobicContact CB-CE1 3.91Å; D745-F776 HydrophobicContact CB-CZ 4.38Å; L746-F776 HydrophobicContact CB-CE1 4.44Å; L746-F776 HydrophobicContact CD2-CD1 4.26Å; L746-F776 HydrophobicContact CD2-CE1 3.75Å; L746-F776 HydrophobicContact CD2-CE2 4.41Å; L746-F776 HydrophobicContact CD2-CZ 3.85Å; L746-F776 HydrophobicContact CG-CD1 4.26Å; L746-F776 HydrophobicContact CG-CE1 3.68Å; L746-F776 HydrophobicContact CG-CZ 4.19Å; L749-F776 HydrophobicContact CD1-CE2 3.41Å; L749-F776 VanDerWaalsContact CD1-CE2 3.41Å; L749-F776 HydrophobicContact CD1-CZ 3.64Å; L749-F776 HydrophobicContact CG-CZ 4.35Å; D772-F776 HydrophobicContact CB-CE2 4.32Å; D772-F776 WeakPolarHBondContact O-CD2 3.4Å; D772-F776 PolarHBondContact O-N 3.39Å; F776-K780 WeakPolarHBondContact O-CB 3.31Å; F776-K780 PolarHBondContact O-N 3.39Å |
| 777 | L | 84.1 | Confident | 76.6 | Confident | 91 Ų | 91 | 86 Ų | 86 | 48% | 0.476 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67 | -40.5 | 173.6 | -74.5 | 171.7 | 0 | 0 | 0 | 111.2 | R773 E774 H775 K780 I781 | R773-L777 HydrophobicContact CG-CD1 4.23Å; R773-L777 WeakPolarHBondContact O-CB 3.41Å; R773-L777 VanDerWaalsContact O-CG 3.27Å; R773-L777 WeakPolarHBondContact O-CG 3.41Å; R773-L777 PolarHBondContact O-N 3.46Å; R773-L777 VanDerWaalsContact O-N 3.12Å; E774-L777 PolarHBondContact O-N 3.01Å; H775-L777 VanDerWaalsContact C-N 3.32Å; H775-L777 PolarHBondContact O-N 2.9Å; L777-K780 PolarHBondContact O-N 3.29Å; L777-I781 WeakPolarHBondContact O-CB 3.49Å; L777-I781 VanDerWaalsContact O-CG1 3.26Å; L777-I781 WeakPolarHBondContact O-CG1 3.47Å; L777-I781 PolarHBondContact O-N 3.48Å |
| 778 | T | 86.7 | Confident | 78.6 | Confident | 92 Ų | 92 | 83.9 Ų | 83.9 | 56% | 0.564 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -64.4 | -48.4 | 177.1 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | E774 H775 K780 I781 A782 | E774-T778 WeakPolarHBondContact O-CB 3.38Å; E774-T778 PolarHBondContact O-N 3.35Å; E774-T778 PolarHBondContact O-OG1 2.89Å; H775-T778 WeakPolarHBondContact O-CB 3.37Å; H775-T778 PolarHBondContact O-N 2.89Å; H775-T778 VanDerWaalsContact O-N 3.13Å; T778-K780 VanDerWaalsContact C-N 3.33Å; T778-K780 PolarHBondContact O-N 3.47Å; T778-I781 PolarHBondContact O-N 3.43Å; T778-A782 PolarHBondContact O-N 3.37Å |
| 779 | L | 86.8 | Confident | 80.3 | Confident | 7 Ų | 7 | 84 Ų | 84 | 4% | 0.037 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -55.6 | -46.1 | 172.1 | -90.1 | 156.1 | 0 | 0 | 0 | 112 | L738 Q741 F742 D745 H775 I781 A782 M783 | L738-L779 HydrophobicContact CB-CD2 4.41Å; L738-L779 HydrophobicContact CD2-CD2 3.75Å; Q741-L779 HydrophobicContact CB-CD2 4.25Å; Q741-L779 HydrophobicContact CG-CD1 4.48Å; Q741-L779 HydrophobicContact CG-CD2 4.03Å; F742-L779 HydrophobicContact CB-CD2 4.4Å; F742-L779 HydrophobicContact CD2-CB 3.98Å; D745-L779 WeakPolarHBondContact OD2-CD1 3.44Å; H775-L779 WeakPolarHBondContact NE2-CD1 3.33Å; H775-L779 PolarHBondContact O-N 2.92Å; L779-I781 PolarHBondContact O-N 3.41Å; L779-A782 PolarHBondContact O-N 3.47Å; L779-M783 WeakPolarHBondContact O-CB 3.29Å; L779-M783 VanDerWaalsContact O-CG 3.3Å; L779-M783 WeakPolarHBondContact O-CG 3.31Å; L779-M783 PolarHBondContact O-N 3.49Å |
| 780 | K | 87.6 | Confident | 81.8 | Confident | 121 Ų | 121 | 84.7 Ų | 84.7 | 53% | 0.526 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.9 | -34 | -179.1 | -172.1 | 170.8 | -175.5 | 172.6 | 0 | 113.1 | F776 L777 T778 L784 | F776-K780 WeakPolarHBondContact O-CB 3.31Å; F776-K780 PolarHBondContact O-N 3.39Å; L777-K780 PolarHBondContact O-N 3.29Å; T778-K780 VanDerWaalsContact C-N 3.33Å; T778-K780 PolarHBondContact O-N 3.47Å; K780-L784 WeakPolarHBondContact O-CG 3.42Å; K780-L784 PolarHBondContact O-N 3.35Å; K780-L784 VanDerWaalsContact O-N 3.13Å |
| 781 | I | 88.2 | Confident | 83.1 | Confident | 94 Ų | 94 | 79 Ų | 79 | 48% | 0.482 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.8 | -50.6 | 171.6 | -71.6 | 163.6 | 0 | 0 | 0 | 109.7 | L777 T778 L779 M783 L784 E785 | L777-I781 WeakPolarHBondContact O-CB 3.49Å; L777-I781 VanDerWaalsContact O-CG1 3.26Å; L777-I781 WeakPolarHBondContact O-CG1 3.47Å; L777-I781 PolarHBondContact O-N 3.48Å; T778-I781 PolarHBondContact O-N 3.43Å; L779-I781 PolarHBondContact O-N 3.41Å; I781-M783 VanDerWaalsContact C-N 3.31Å; I781-M783 PolarHBondContact O-N 2.82Å; I781-L784 WeakPolarHBondContact O-CA 3.27Å; I781-L784 WeakPolarHBondContact O-CB 3.36Å; I781-L784 PolarHBondContact O-N 2.93Å; I781-E785 HydrophobicContact CG2-CG 4.43Å; I781-E785 WeakPolarHBondContact O-CG 3.28Å; I781-E785 PolarHBondContact O-N 3.22Å |
| 782 | A | 88 | Confident | 84.4 | Confident | 20 Ų | 20 | 81.6 Ų | 81.6 | 17% | 0.165 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.3 | -40.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L738 T778 L779 L784 E785 Y786 | L738-A782 HydrophobicContact CD1-CB 3.86Å; T778-A782 PolarHBondContact O-N 3.37Å; L779-A782 PolarHBondContact O-N 3.47Å; A782-L784 PolarHBondContact O-N 2.96Å; A782-E785 PolarHBondContact O-N 3.33Å; A782-Y786 WeakPolarHBondContact O-CD2 3.33Å; A782-Y786 PolarHBondContact O-N 2.8Å |
| 783 | M | 85.7 | Confident | 85.4 | Confident | 22 Ų | 22 | 82.5 Ų | 82.5 | 11% | 0.108 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.4 | -43.3 | 171.8 | -73.7 | 173.3 | 64.8 | 0 | 0 | 112.3 | Y735 L738 F742 L779 I781 Q787 | Y735-M783 HydrophobicContact CD2-CB 4.27Å; Y735-M783 VanDerWaalsContact CD2-O 3.31Å; Y735-M783 WeakPolarHBondContact CD2-O 3.36Å; Y735-M783 HydrophobicContact CE2-CB 4.13Å; Y735-M783 HydrophobicContact CE2-CE 4.14Å; L738-M783 HydrophobicContact CB-CG 3.91Å; F742-M783 HydrophobicContact CB-SD 3.91Å; F742-M783 HydrophobicContact CD1-SD 4.45Å; F742-M783 HydrophobicContact CD2-SD 4.46Å; F742-M783 HydrophobicContact CG-SD 4.04Å; L779-M783 WeakPolarHBondContact O-CB 3.29Å; L779-M783 VanDerWaalsContact O-CG 3.3Å; L779-M783 WeakPolarHBondContact O-CG 3.31Å; L779-M783 PolarHBondContact O-N 3.49Å; I781-M783 VanDerWaalsContact C-N 3.31Å; I781-M783 PolarHBondContact O-N 2.82Å; M783-Q787 WeakPolarHBondContact O-CB 3.49Å; M783-Q787 PolarHBondContact O-N 2.82Å |
| 784 | L | 88.8 | Confident | 86.1 | Confident | 89 Ų | 89 | 79.8 Ų | 79.8 | 47% | 0.466 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.8 | -36.2 | 177.3 | -73.2 | 168.9 | 0 | 0 | 0 | 112.5 | K780 I781 A782 Q787 L788 | K780-L784 WeakPolarHBondContact O-CG 3.42Å; K780-L784 PolarHBondContact O-N 3.35Å; K780-L784 VanDerWaalsContact O-N 3.13Å; I781-L784 WeakPolarHBondContact O-CA 3.27Å; I781-L784 WeakPolarHBondContact O-CB 3.36Å; I781-L784 PolarHBondContact O-N 2.93Å; A782-L784 PolarHBondContact O-N 2.96Å; L784-Q787 PolarHBondContact O-N 2.99Å; L784-L788 WeakPolarHBondContact O-CB 3.18Å; L784-L788 VanDerWaalsContact O-CG 3.29Å; L784-L788 WeakPolarHBondContact O-CG 3.27Å; L784-L788 PolarHBondContact O-N 3.13Å |
| 785 | E | 89.6 | Confident | 86.4 | Confident | 109 Ų | 109 | 80.7 Ų | 80.7 | 51% | 0.509 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.4 | -50.9 | 174.1 | -70.6 | 177 | 157.6 | 0 | 0 | 111.2 | I781 A782 Q787 L788 E789 | I781-E785 HydrophobicContact CG2-CG 4.43Å; I781-E785 WeakPolarHBondContact O-CG 3.28Å; I781-E785 PolarHBondContact O-N 3.22Å; A782-E785 PolarHBondContact O-N 3.33Å; E785-Q787 VanDerWaalsContact C-N 3.32Å; E785-Q787 PolarHBondContact O-N 3.36Å; E785-L788 WeakPolarHBondContact O-CB 3.33Å; E785-L788 PolarHBondContact O-N 3.16Å; E785-L788 VanDerWaalsContact O-N 3.09Å; E785-E789 PolarHBondContact O-N 3.48Å |
| 786 | Y | 88.8 | Confident | 86.7 | Confident | 47 Ų | 47 | 83.6 Ų | 83.6 | 18% | 0.184 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -68.3 | -29.4 | 178.1 | -70.4 | -58.3 | 0 | 0 | 0 | 113.5 | A731 K734 L738 A782 E789 Y790 | A731-Y786 HydrophobicContact CB-CD1 3.94Å; A731-Y786 WeakPolarHBondContact O-CB 3.49Å; K734-Y786 HydrophobicContact CB-CD1 4.11Å; K734-Y786 HydrophobicContact CB-CD2 4.07Å; K734-Y786 HydrophobicContact CB-CE1 4.26Å; K734-Y786 HydrophobicContact CB-CE2 4.22Å; K734-Y786 HydrophobicContact CB-CG 4.03Å; K734-Y786 HydrophobicContact CD-CD1 3.9Å; K734-Y786 HydrophobicContact CD-CE1 3.3Å; K734-Y786 HydrophobicContact CD-CE2 4.04Å; K734-Y786 HydrophobicContact CG-CE1 4.48Å; K734-Y786 PolarHBondContact NZ-OH 3.2Å; L738-Y786 HydrophobicContact CD1-CD2 3.47Å; L738-Y786 VanDerWaalsContact CD1-CD2 3.47Å; L738-Y786 HydrophobicContact CD1-CE2 3.55Å; A782-Y786 WeakPolarHBondContact O-CD2 3.33Å; A782-Y786 PolarHBondContact O-N 2.8Å; Y786-E789 VanDerWaalsContact CD1-OE2 3.28Å; Y786-E789 WeakPolarHBondContact CD1-OE2 3.49Å; Y786-Y790 WeakPolarHBondContact O-CB 3.21Å; Y786-Y790 PolarHBondContact O-N 3.39Å |
| 787 | Q | 88.7 | Confident | 86.5 | Confident | 92 Ų | 92 | 86.1 Ų | 86.1 | 43% | 0.43 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65 | -39.8 | 169.1 | -174.7 | -179.8 | -5.3 | 0 | 0 | 111.7 | Y735 M783 L784 E785 E791 | Y735-Q787 HydrophobicContact CD2-CB 4.17Å; Y735-Q787 HydrophobicContact CE2-CB 4.19Å; M783-Q787 WeakPolarHBondContact O-CB 3.49Å; M783-Q787 PolarHBondContact O-N 2.82Å; L784-Q787 PolarHBondContact O-N 2.99Å; E785-Q787 VanDerWaalsContact C-N 3.32Å; E785-Q787 PolarHBondContact O-N 3.36Å; Q787-E791 PolarHBondContact O-N 3.1Å |
| 788 | L | 88.1 | Confident | 86.5 | Confident | 105 Ų | 105 | 87.1 Ų | 87.1 | 55% | 0.55 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -69.4 | -42.3 | 176.1 | -75.3 | 166.8 | 0 | 0 | 0 | 112.1 | L784 E785 Y790 E791 Q792 | L784-L788 WeakPolarHBondContact O-CB 3.18Å; L784-L788 VanDerWaalsContact O-CG 3.29Å; L784-L788 WeakPolarHBondContact O-CG 3.27Å; L784-L788 PolarHBondContact O-N 3.13Å; E785-L788 WeakPolarHBondContact O-CB 3.33Å; E785-L788 PolarHBondContact O-N 3.16Å; E785-L788 VanDerWaalsContact O-N 3.09Å; L788-Y790 VanDerWaalsContact C-N 3.33Å; L788-Y790 PolarHBondContact O-N 3.26Å; L788-E791 PolarHBondContact O-N 3.32Å; L788-Q792 WeakPolarHBondContact O-CG 3.5Å; L788-Q792 PolarHBondContact O-N 3.03Å |
| 789 | E | 86.9 | Confident | 86.6 | Confident | 94 Ų | 94 | 85 Ų | 85 | 44% | 0.439 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -57.9 | -45.5 | 172.2 | -74.2 | -168.7 | 164.1 | 0 | 0 | 111.4 | A731 E785 Y786 Q792 Y793 | A731-E789 HydrophobicContact CB-CB 3.68Å; A731-E789 WeakPolarHBondContact CB-OE2 3.5Å; E785-E789 PolarHBondContact O-N 3.48Å; Y786-E789 VanDerWaalsContact CD1-OE2 3.28Å; Y786-E789 WeakPolarHBondContact CD1-OE2 3.49Å; E789-Q792 PolarHBondContact O-N 3.18Å; E789-Y793 WeakPolarHBondContact O-CB 3.44Å; E789-Y793 PolarHBondContact O-N 3.5Å |
| 790 | Y | 86.3 | Confident | 86.2 | Confident | 94 Ų | 94 | 87.4 Ų | 87.4 | 37% | 0.369 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.9 | -40.8 | 178.4 | -179.2 | -125.4 | 0 | 0 | 0 | 112.3 | H729 A732 Y786 L788 Y793 R794 | H729-Y790 HydrophobicContact CB-CD2 4.05Å; H729-Y790 HydrophobicContact CB-CE2 4.28Å; A732-Y790 HydrophobicContact CB-CD2 3.96Å; A732-Y790 HydrophobicContact CB-CE2 4.09Å; A732-Y790 HydrophobicContact CB-CG 4.24Å; Y786-Y790 WeakPolarHBondContact O-CB 3.21Å; Y786-Y790 PolarHBondContact O-N 3.39Å; L788-Y790 VanDerWaalsContact C-N 3.33Å; L788-Y790 PolarHBondContact O-N 3.26Å; Y790-Y793 HydrophobicContact CD2-CD1 4.35Å; Y790-Y793 PolarHBondContact O-N 2.96Å; Y790-R794 HydrophobicContact CD2-CG 4.33Å; Y790-R794 HydrophobicContact CE1-CG 4.46Å; Y790-R794 HydrophobicContact CE2-CG 4.01Å; Y790-R794 VanDerWaalsContact O-CG 3.3Å; Y790-R794 WeakPolarHBondContact O-CG 3.32Å; Y790-R794 PolarHBondContact O-N 2.9Å |
| 791 | E | 85.5 | Confident | 86 | Confident | 48 Ų | 48 | 88.8 Ų | 88.8 | 22% | 0.224 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64 | -39 | 172.9 | -92 | -63.5 | 113.2 | 0 | 0 | 112.9 | Q787 L788 R794 R795 | Q787-E791 PolarHBondContact O-N 3.1Å; L788-E791 PolarHBondContact O-N 3.32Å; E791-R794 IonicContact OE1-CZ 2.71Å; E791-R794 IonicContact OE1-NE 3.71Å; E791-R794 IonicContact OE1-NH1 3.58Å; E791-R794 PolarHBondContact OE1-NH1 2.88Å; E791-R795 WeakPolarHBondContact O-CB 3.48Å; E791-R795 WeakPolarHBondContact O-CD 3.36Å; E791-R795 WeakPolarHBondContact O-CG 3.42Å; E791-R795 PolarHBondContact O-N 2.84Å; E791-R795 IonicContact OE2-CZ 2.77Å; E791-R795 VanDerWaalsContact OE2-CZ 3.26Å; E791-R795 IonicContact OE2-NE 2.76Å; E791-R795 PolarHBondContact OE2-NE 2.88Å; E791-R795 IonicContact OE2-NH2 2.67Å; E791-R795 PolarHBondContact OE2-NH2 3.46Å |
| 792 | Q | 87.9 | Confident | 85.9 | Confident | 127 Ų | 127 | 88.5 Ų | 88.5 | 59% | 0.593 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.9 | -48.1 | 173.4 | -72.9 | 179.1 | 44.2 | 0 | 0 | 111.2 | L788 E789 R794 R795 Q796 | L788-Q792 WeakPolarHBondContact O-CG 3.5Å; L788-Q792 PolarHBondContact O-N 3.03Å; E789-Q792 PolarHBondContact O-N 3.18Å; Q792-R794 PolarHBondContact O-N 3.26Å; Q792-R795 PolarHBondContact O-N 3.14Å; Q792-Q796 WeakPolarHBondContact O-CB 3.26Å; Q792-Q796 PolarHBondContact O-N 3.39Å |
| 793 | Y | 85 | Confident | 85.8 | Confident | 72 Ų | 72 | 96.2 Ų | 96.2 | 28% | 0.282 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -56.8 | -48.2 | 175.8 | 171.4 | -109.6 | 0 | 0 | 0 | 112 | H729 E789 Y790 R795 Q796 M797 | H729-Y793 HydrophobicContact CB-CD1 3.92Å; H729-Y793 HydrophobicContact CB-CE1 3.93Å; H729-Y793 AromaticContact CD2-CD1 3.47Å; H729-Y793 VanDerWaalsContact CD2-CD1 3.47Å; H729-Y793 WeakPolarHBondContact CD2-CD1 3.24Å; H729-Y793 AromaticContact CD2-CD2 3.56Å; H729-Y793 AromaticContact CD2-CE1 3.67Å; H729-Y793 AromaticContact CD2-CE2 3.77Å; H729-Y793 AromaticContact CD2-CG 3.4Å; H729-Y793 AromaticContact CD2-CZ 3.82Å; H729-Y793 AromaticContact CG-CD1 3.62Å; H729-Y793 AromaticContact CG-CE1 3.96Å; H729-Y793 AromaticContact CG-CG 3.9Å; H729-Y793 AromaticContact NE2-CD2 3.62Å; H729-Y793 AromaticContact NE2-CG 3.54Å; E789-Y793 WeakPolarHBondContact O-CB 3.44Å; E789-Y793 PolarHBondContact O-N 3.5Å; Y790-Y793 HydrophobicContact CD2-CD1 4.35Å; Y790-Y793 PolarHBondContact O-N 2.96Å; Y793-R795 VanDerWaalsContact C-N 3.34Å; Y793-R795 PolarHBondContact O-N 3.1Å; Y793-Q796 PolarHBondContact O-N 2.98Å; Y793-M797 HydrophobicContact CD2-CG 4Å; Y793-M797 HydrophobicContact CE1-CG 4.16Å; Y793-M797 HydrophobicContact CE2-CG 3.53Å; Y793-M797 HydrophobicContact CE2-SD 3.97Å; Y793-M797 HydrophobicContact CG-CG 4.48Å; Y793-M797 WeakPolarHBondContact O-CB 3.35Å; Y793-M797 WeakPolarHBondContact O-CG 3.31Å; Y793-M797 PolarHBondContact O-N 3.35Å |
| 794 | R | 84.7 | Confident | 85.8 | Confident | 111 Ų | 111 | 101.5 Ų | 101.5 | 42% | 0.419 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -56.8 | -46.7 | 176.1 | -72.8 | 178.7 | 74.5 | -151.8 | 6.5 | 111.7 | Y790 E791 Q792 M797 H798 | Y790-R794 HydrophobicContact CD2-CG 4.33Å; Y790-R794 HydrophobicContact CE1-CG 4.46Å; Y790-R794 HydrophobicContact CE2-CG 4.01Å; Y790-R794 VanDerWaalsContact O-CG 3.3Å; Y790-R794 WeakPolarHBondContact O-CG 3.32Å; Y790-R794 PolarHBondContact O-N 2.9Å; E791-R794 IonicContact OE1-CZ 2.71Å; E791-R794 IonicContact OE1-NE 3.71Å; E791-R794 IonicContact OE1-NH1 3.58Å; E791-R794 PolarHBondContact OE1-NH1 2.88Å; Q792-R794 PolarHBondContact O-N 3.26Å; R794-M797 PolarHBondContact O-N 3.27Å; R794-H798 PolarHBondContact O-CD2 3.28Å; R794-H798 VanDerWaalsContact O-CD2 3.23Å; R794-H798 PolarHBondContact O-N 3.2Å |
| 795 | R | 86.6 | Confident | 85.4 | Confident | 158 Ų | 158 | 100.4 Ų | 100.4 | 60% | 0.596 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -65.9 | -38.7 | 179.2 | -68 | 165.4 | -160.8 | -176.1 | 5.2 | 111.7 | E791 Q792 Y793 H798 A799 | E791-R795 WeakPolarHBondContact O-CB 3.48Å; E791-R795 WeakPolarHBondContact O-CD 3.36Å; E791-R795 WeakPolarHBondContact O-CG 3.42Å; E791-R795 PolarHBondContact O-N 2.84Å; E791-R795 IonicContact OE2-CZ 2.77Å; E791-R795 VanDerWaalsContact OE2-CZ 3.26Å; E791-R795 IonicContact OE2-NE 2.76Å; E791-R795 PolarHBondContact OE2-NE 2.88Å; E791-R795 IonicContact OE2-NH2 2.67Å; E791-R795 PolarHBondContact OE2-NH2 3.46Å; Q792-R795 PolarHBondContact O-N 3.14Å; Y793-R795 VanDerWaalsContact C-N 3.34Å; Y793-R795 PolarHBondContact O-N 3.1Å; R795-H798 PolarHBondContact O-N 2.86Å; R795-A799 WeakPolarHBondContact O-CB 3.32Å; R795-A799 PolarHBondContact O-N 2.77Å |
| 796 | Q | 85.9 | Confident | 85.1 | Confident | 138 Ų | 138 | 100.9 Ų | 100.9 | 65% | 0.645 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -64.5 | -43.5 | 174.8 | -173.1 | 171.8 | -2.3 | 0 | 0 | 111.6 | Q792 Y793 A799 E800 | Q792-Q796 WeakPolarHBondContact O-CB 3.26Å; Q792-Q796 PolarHBondContact O-N 3.39Å; Y793-Q796 PolarHBondContact O-N 2.98Å; Q796-A799 PolarHBondContact O-N 2.86Å; Q796-E800 VanDerWaalsContact O-CB 3.24Å; Q796-E800 WeakPolarHBondContact O-CB 3.05Å; Q796-E800 PolarHBondContact O-N 2.9Å |
| 797 | M | 77.7 | Confident | 84.9 | Confident | 78 Ų | 78 | 100.6 Ų | 100.6 | 38% | 0.384 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.7 | -37.5 | 175.4 | -70.6 | -63.8 | -79.7 | 0 | 0 | 112.6 | Y793 R794 R801 | Y793-M797 HydrophobicContact CD2-CG 4Å; Y793-M797 HydrophobicContact CE1-CG 4.16Å; Y793-M797 HydrophobicContact CE2-CG 3.53Å; Y793-M797 HydrophobicContact CE2-SD 3.97Å; Y793-M797 HydrophobicContact CG-CG 4.48Å; Y793-M797 WeakPolarHBondContact O-CB 3.35Å; Y793-M797 WeakPolarHBondContact O-CG 3.31Å; Y793-M797 PolarHBondContact O-N 3.35Å; R794-M797 PolarHBondContact O-N 3.27Å; M797-R801 VanDerWaalsContact O-CB 3.3Å; M797-R801 WeakPolarHBondContact O-CB 3.39Å; M797-R801 PolarHBondContact O-N 2.88Å |
| 798 | H | 84.1 | Confident | 84.9 | Confident | 111 Ų | 111 | 98.3 Ų | 98.3 | 51% | 0.514 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 171.2 | -85.9 | -75.4 | 0 | 0 | 0 | 112.4 | R794 R795 E800 R801 N802 | R794-H798 PolarHBondContact O-CD2 3.28Å; R794-H798 VanDerWaalsContact O-CD2 3.23Å; R794-H798 PolarHBondContact O-N 3.2Å; R795-H798 PolarHBondContact O-N 2.86Å; H798-E800 VanDerWaalsContact C-N 3.35Å; H798-R801 PolarHBondContact O-N 3.41Å; H798-N802 WeakPolarHBondContact O-CB 3.41Å; H798-N802 PolarHBondContact O-N 2.78Å |
| 799 | A | 87.5 | Confident | 84.9 | Confident | 47 Ų | 47 | 97.7 Ų | 97.7 | 39% | 0.388 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R795 Q796 N802 R803 | R795-A799 WeakPolarHBondContact O-CB 3.32Å; R795-A799 PolarHBondContact O-N 2.77Å; Q796-A799 PolarHBondContact O-N 2.86Å; A799-N802 PolarHBondContact O-N 3Å; A799-R803 WeakPolarHBondContact O-CG 3.31Å; A799-R803 PolarHBondContact O-N 2.97Å |
| 800 | E | 79.8 | Confident | 85 | Confident | 59 Ų | 59 | 100.9 Ų | 100.9 | 28% | 0.276 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -69.3 | -43.8 | 177.4 | 179 | 56.4 | -163.9 | 0 | 0 | 112 | Q796 H798 N802 R803 R804 | Q796-E800 VanDerWaalsContact O-CB 3.24Å; Q796-E800 WeakPolarHBondContact O-CB 3.05Å; Q796-E800 PolarHBondContact O-N 2.9Å; H798-E800 VanDerWaalsContact C-N 3.35Å; E800-N802 VanDerWaalsContact C-N 3.28Å; E800-N802 PolarHBondContact O-N 3.29Å; E800-R803 WeakPolarHBondContact O-CB 3.23Å; E800-R803 PolarHBondContact O-N 2.85Å; E800-R804 WeakPolarHBondContact O-CG 3.48Å; E800-R804 PolarHBondContact O-N 2.94Å; E800-R804 IonicContact OE1-CZ 3.81Å; E800-R804 VanDerWaalsContact OE1-CZ 3.23Å; E800-R804 IonicContact OE1-NE 3.2Å; E800-R804 PolarHBondContact OE1-NE 2.96Å; E800-R804 IonicContact OE1-NH2 3.35Å; E800-R804 PolarHBondContact OE1-NH2 3.4Å |
| 801 | R | 81.7 | Confident | 85.2 | Confident | 150 Ų | 150 | 100 Ų | 100 | 57% | 0.566 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -56.9 | -43.2 | 169.3 | -180 | 174.7 | 177.1 | 150.5 | 1.7 | 111.2 | M797 H798 R804 M805 | M797-R801 VanDerWaalsContact O-CB 3.3Å; M797-R801 WeakPolarHBondContact O-CB 3.39Å; M797-R801 PolarHBondContact O-N 2.88Å; H798-R801 PolarHBondContact O-N 3.41Å; R801-R804 PolarHBondContact O-N 3.45Å; R801-M805 WeakPolarHBondContact O-CB 3.01Å; R801-M805 WeakPolarHBondContact O-CG 3.42Å; R801-M805 PolarHBondContact O-N 2.64Å |
| 802 | N | 87.1 | Confident | 85.6 | Confident | 87 Ų | 87 | 101.1 Ų | 101.1 | 47% | 0.465 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 177.5 | -74.7 | -5.8 | 0 | 0 | 0 | 112.1 | H798 A799 E800 M805 H806 | H798-N802 WeakPolarHBondContact O-CB 3.41Å; H798-N802 PolarHBondContact O-N 2.78Å; A799-N802 PolarHBondContact O-N 3Å; E800-N802 VanDerWaalsContact C-N 3.28Å; E800-N802 PolarHBondContact O-N 3.29Å; N802-M805 PolarHBondContact O-N 3.26Å; N802-H806 PolarHBondContact O-N 3.46Å; N802-H806 PolarHBondContact O-ND1 3.34Å |
| 803 | R | 85.3 | Confident | 85.8 | Confident | 182 Ų | 182 | 98.4 Ų | 98.4 | 69% | 0.687 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -60.4 | -47.9 | 172.6 | -76.1 | 170 | 175.2 | -178.7 | -2.1 | 111.6 | A799 E800 M805 H806 G807 | A799-R803 WeakPolarHBondContact O-CG 3.31Å; A799-R803 PolarHBondContact O-N 2.97Å; E800-R803 WeakPolarHBondContact O-CB 3.23Å; E800-R803 PolarHBondContact O-N 2.85Å; R803-M805 PolarHBondContact O-N 3.39Å; R803-H806 PolarHBondContact O-N 2.87Å; R803-G807 PolarHBondContact O-N 2.97Å |
| 804 | R | 85.5 | Confident | 86.1 | Confident | 134 Ų | 134 | 98.3 Ų | 98.3 | 51% | 0.506 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 176.3 | -66.6 | 175.7 | -165 | -172.9 | 4.7 | 111.8 | E800 R801 G807 R808 | E800-R804 WeakPolarHBondContact O-CG 3.48Å; E800-R804 PolarHBondContact O-N 2.94Å; E800-R804 IonicContact OE1-CZ 3.81Å; E800-R804 VanDerWaalsContact OE1-CZ 3.23Å; E800-R804 IonicContact OE1-NE 3.2Å; E800-R804 PolarHBondContact OE1-NE 2.96Å; E800-R804 IonicContact OE1-NH2 3.35Å; E800-R804 PolarHBondContact OE1-NH2 3.4Å; R801-R804 PolarHBondContact O-N 3.45Å; R804-G807 PolarHBondContact O-N 3.12Å; R804-R808 WeakPolarHBondContact O-CG 3.41Å; R804-R808 PolarHBondContact O-N 3.32Å |
| 805 | M | 80.5 | Confident | 86.5 | Confident | 66 Ų | 66 | 96.8 Ų | 96.8 | 33% | 0.325 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 174.2 | -75.4 | -61 | -65.5 | 0 | 0 | 112.7 | W718 R801 N802 R803 G807 R808 I809 | W718-M805 HydrophobicContact CH2-SD 3.62Å; W718-M805 HydrophobicContact CZ2-SD 4.14Å; R801-M805 WeakPolarHBondContact O-CB 3.01Å; R801-M805 WeakPolarHBondContact O-CG 3.42Å; R801-M805 PolarHBondContact O-N 2.64Å; N802-M805 PolarHBondContact O-N 3.26Å; R803-M805 PolarHBondContact O-N 3.39Å; M805-G807 VanDerWaalsContact C-N 3.31Å; M805-G807 PolarHBondContact O-N 3.43Å; M805-R808 PolarHBondContact O-N 2.89Å; M805-I809 WeakPolarHBondContact O-CB 3.16Å; M805-I809 VanDerWaalsContact O-CG1 3.28Å; M805-I809 WeakPolarHBondContact O-CG1 3.42Å; M805-I809 PolarHBondContact O-N 2.8Å |
| 806 | H | 83.7 | Confident | 86.8 | Confident | 119 Ų | 119 | 94 Ų | 94 | 55% | 0.551 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -65.2 | -34.1 | 175.6 | -76.4 | 79 | 0 | 0 | 0 | 112.3 | N802 R803 K810 | N802-H806 PolarHBondContact O-N 3.46Å; N802-H806 PolarHBondContact O-ND1 3.34Å; R803-H806 PolarHBondContact O-N 2.87Å; H806-K810 WeakPolarHBondContact O-CB 3.27Å; H806-K810 VanDerWaalsContact O-CG 3.3Å; H806-K810 WeakPolarHBondContact O-CG 3.43Å; H806-K810 PolarHBondContact O-N 3.2Å |
| 807 | G | 85.2 | Confident | 87.1 | Confident | 40 Ų | 40 | 91 Ų | 91 | 41% | 0.412 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R803 R804 M805 K810 H811 | R803-G807 PolarHBondContact O-N 2.97Å; R804-G807 PolarHBondContact O-N 3.12Å; M805-G807 VanDerWaalsContact C-N 3.31Å; M805-G807 PolarHBondContact O-N 3.43Å; G807-K810 PolarHBondContact O-N 2.96Å; G807-H811 PolarHBondContact O-N 2.98Å |
| 808 | R | 87.1 | Confident | 87.8 | Confident | 44 Ų | 44 | 92.4 Ų | 92.4 | 17% | 0.166 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 176.7 | -70.4 | 176.7 | -175.6 | 151.3 | 1 | 112.5 | D717 W718 R804 M805 K810 H811 V812 | D717-R808 IonicContact OD2-CZ 3.26Å; D717-R808 IonicContact OD2-NH2 2.69Å; D717-R808 PolarHBondContact OD2-NH2 2.84Å; W718-R808 VanDerWaalsContact CH2-NH1 3.29Å; R804-R808 WeakPolarHBondContact O-CG 3.41Å; R804-R808 PolarHBondContact O-N 3.32Å; M805-R808 PolarHBondContact O-N 2.89Å; R808-K810 PolarHBondContact O-N 3.43Å; R808-H811 WeakPolarHBondContact O-CB 3.21Å; R808-H811 PolarHBondContact O-N 3.32Å; R808-V812 WeakPolarHBondContact O-CG2 3.47Å; R808-V812 PolarHBondContact O-N 2.81Å |
| 809 | I | 88.6 | Confident | 88.3 | Confident | 93 Ų | 93 | 92.9 Ų | 92.9 | 48% | 0.477 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 175.8 | -68.7 | 163.4 | 0 | 0 | 0 | 110.7 | M805 H811 V812 V813 | M805-I809 WeakPolarHBondContact O-CB 3.16Å; M805-I809 VanDerWaalsContact O-CG1 3.28Å; M805-I809 WeakPolarHBondContact O-CG1 3.42Å; M805-I809 PolarHBondContact O-N 2.8Å; I809-H811 VanDerWaalsContact C-N 3.32Å; I809-H811 PolarHBondContact O-N 2.91Å; I809-V812 PolarHBondContact O-N 3.31Å; I809-V813 HydrophobicContact CG2-CG2 4.42Å; I809-V813 WeakPolarHBondContact O-CG2 3.19Å; I809-V813 PolarHBondContact O-N 3.3Å |
| 810 | K | 89.2 | Confident | 88.6 | Confident | 161 Ų | 161 | 96.8 Ų | 96.8 | 70% | 0.7 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -59.9 | -40.5 | 174 | -77.1 | 179.1 | 177.4 | -171.5 | 0 | 112.4 | H806 G807 R808 S814 | H806-K810 WeakPolarHBondContact O-CB 3.27Å; H806-K810 VanDerWaalsContact O-CG 3.3Å; H806-K810 WeakPolarHBondContact O-CG 3.43Å; H806-K810 PolarHBondContact O-N 3.2Å; G807-K810 PolarHBondContact O-N 2.96Å; R808-K810 PolarHBondContact O-N 3.43Å; K810-S814 WeakPolarHBondContact O-CB 3.29Å; K810-S814 PolarHBondContact O-N 3.37Å |
| 811 | H | 91.6 | Very high | 89.2 | Confident | 74 Ų | 74 | 97.3 Ų | 97.3 | 34% | 0.343 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.1 | -44.1 | 176.5 | -174.3 | -101.3 | 0 | 0 | 0 | 112.2 | Y714 G807 R808 I809 S814 L815 | Y714-H811 AromaticContact CE2-CE1 3.81Å; Y714-H811 AromaticContact CZ-CE1 3.77Å; Y714-H811 PolarHBondContact OH-NE2 2.88Å; G807-H811 PolarHBondContact O-N 2.98Å; R808-H811 WeakPolarHBondContact O-CB 3.21Å; R808-H811 PolarHBondContact O-N 3.32Å; I809-H811 VanDerWaalsContact C-N 3.32Å; I809-H811 PolarHBondContact O-N 2.91Å; H811-S814 WeakPolarHBondContact O-CB 3.48Å; H811-S814 PolarHBondContact O-N 3.01Å; H811-L815 WeakPolarHBondContact O-CG 3.42Å; H811-L815 PolarHBondContact O-N 3.14Å |
| 812 | V | 92.1 | Very high | 89.8 | Confident | 72 Ų | 72 | 93.2 Ų | 93.2 | 44% | 0.436 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61 | -49.4 | 175.4 | 171.5 | 0 | 0 | 0 | 0 | 111 | R808 I809 S814 L815 E816 | R808-V812 WeakPolarHBondContact O-CG2 3.47Å; R808-V812 PolarHBondContact O-N 2.81Å; I809-V812 PolarHBondContact O-N 3.31Å; V812-S814 PolarHBondContact O-N 3.44Å; V812-L815 CarbonylContact O-C 3.6Å; V812-L815 PolarHBondContact O-N 3.42Å; V812-E816 HydrophobicContact CG1-CG 4.27Å; V812-E816 WeakPolarHBondContact O-CG 3.49Å; V812-E816 PolarHBondContact O-N 2.91Å |
| 813 | V | 92.5 | Very high | 90.2 | Very high | 71 Ų | 71 | 91.3 Ų | 91.3 | 43% | 0.43 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.8 | -33.2 | 176.9 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | I809 T817 | I809-V813 HydrophobicContact CG2-CG2 4.42Å; I809-V813 WeakPolarHBondContact O-CG2 3.19Å; I809-V813 PolarHBondContact O-N 3.3Å; V813-T817 WeakPolarHBondContact O-CB 3.32Å; V813-T817 WeakPolarHBondContact O-CG2 3.16Å; V813-T817 PolarHBondContact O-N 3.46Å; V813-T817 PolarHBondContact O-OG1 2.87Å |
| 814 | S | 91.1 | Very high | 90.6 | Very high | 70 Ų | 70 | 86.4 Ų | 86.4 | 49% | 0.49 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.2 | -33.5 | 173.5 | -165.8 | 0 | 0 | 0 | 0 | 112.8 | K810 H811 V812 T817 Q818 | K810-S814 WeakPolarHBondContact O-CB 3.29Å; K810-S814 PolarHBondContact O-N 3.37Å; H811-S814 WeakPolarHBondContact O-CB 3.48Å; H811-S814 PolarHBondContact O-N 3.01Å; V812-S814 PolarHBondContact O-N 3.44Å; S814-T817 WeakPolarHBondContact CA-OG1 3.46Å; S814-T817 PolarHBondContact O-OG1 3.48Å; S814-Q818 WeakPolarHBondContact O-CB 3.48Å; S814-Q818 PolarHBondContact O-N 2.84Å |
| 815 | L | 93.1 | Very high | 91.1 | Very high | 78 Ų | 78 | 88 Ų | 88 | 41% | 0.408 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -77.8 | -38.9 | 174.8 | -69.4 | 174.8 | 0 | 0 | 0 | 111.8 | H811 V812 Q818 L819 | H811-L815 WeakPolarHBondContact O-CG 3.42Å; H811-L815 PolarHBondContact O-N 3.14Å; V812-L815 CarbonylContact O-C 3.6Å; V812-L815 PolarHBondContact O-N 3.42Å; L815-Q818 PolarHBondContact O-N 3.19Å; L815-L819 WeakPolarHBondContact O-CB 3.33Å; L815-L819 VanDerWaalsContact O-CG 3.29Å; L815-L819 WeakPolarHBondContact O-CG 3.24Å; L815-L819 PolarHBondContact O-N 3.07Å |
| 816 | E | 93 | Very high | 91.7 | Very high | 100 Ų | 100 | 89.6 Ų | 89.6 | 47% | 0.467 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 174.6 | -70.8 | 174.6 | 154.1 | 0 | 0 | 111.7 | V812 L819 Q820 | V812-E816 HydrophobicContact CG1-CG 4.27Å; V812-E816 WeakPolarHBondContact O-CG 3.49Å; V812-E816 PolarHBondContact O-N 2.91Å; E816-L819 PolarHBondContact O-N 2.71Å; E816-Q820 WeakPolarHBondContact O-CB 3.39Å; E816-Q820 VanDerWaalsContact O-CG 3.28Å; E816-Q820 WeakPolarHBondContact O-CG 3.24Å; E816-Q820 PolarHBondContact O-N 2.95Å |
| 817 | T | 92.1 | Very high | 92.3 | Very high | 74 Ų | 74 | 91.3 Ų | 91.3 | 45% | 0.454 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.3 | -34.9 | 175.8 | 47.2 | 0 | 0 | 0 | 0 | 112.4 | V813 S814 S821 | V813-T817 WeakPolarHBondContact O-CB 3.32Å; V813-T817 WeakPolarHBondContact O-CG2 3.16Å; V813-T817 PolarHBondContact O-N 3.46Å; V813-T817 PolarHBondContact O-OG1 2.87Å; S814-T817 WeakPolarHBondContact CA-OG1 3.46Å; S814-T817 PolarHBondContact O-OG1 3.48Å; T817-S821 WeakPolarHBondContact O-CB 3.38Å; T817-S821 PolarHBondContact O-N 2.95Å |
| 818 | Q | 93.3 | Very high | 92.7 | Very high | 109 Ų | 109 | 98.1 Ų | 98.1 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.6 | -49.1 | 169.8 | -176.6 | 178.8 | -15.6 | 0 | 0 | 111.7 | S814 L815 Q820 S821 D822 | S814-Q818 WeakPolarHBondContact O-CB 3.48Å; S814-Q818 PolarHBondContact O-N 2.84Å; L815-Q818 PolarHBondContact O-N 3.19Å; Q818-Q820 VanDerWaalsContact C-N 3.3Å; Q818-Q820 PolarHBondContact O-N 3.46Å; Q818-S821 CarbonylContact O-C 3.58Å; Q818-S821 WeakPolarHBondContact O-CA 3.39Å; Q818-S821 VanDerWaalsContact O-CB 3.3Å; Q818-S821 WeakPolarHBondContact O-CB 3.2Å; Q818-S821 PolarHBondContact O-N 2.9Å; Q818-D822 PolarHBondContact O-N 3.45Å |
| 819 | L | 94.2 | Very high | 93 | Very high | 120 Ų | 120 | 100.2 Ų | 100.2 | 63% | 0.628 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.4 | -36.2 | 179.1 | -74.4 | 168 | 0 | 0 | 0 | 112.4 | L815 E816 A823 | L815-L819 WeakPolarHBondContact O-CB 3.33Å; L815-L819 VanDerWaalsContact O-CG 3.29Å; L815-L819 WeakPolarHBondContact O-CG 3.24Å; L815-L819 PolarHBondContact O-N 3.07Å; E816-L819 PolarHBondContact O-N 2.71Å; L819-A823 VanDerWaalsContact O-CB 3.24Å; L819-A823 WeakPolarHBondContact O-CB 3.47Å; L819-A823 PolarHBondContact O-N 3.08Å |
| 820 | Q | 93.3 | Very high | 93.3 | Very high | 129 Ų | 129 | 99.5 Ų | 99.5 | 60% | 0.603 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.6 | -42.1 | 171.7 | -72.9 | 173.4 | 19.5 | 0 | 0 | 111.7 | E816 Q818 A823 T824 | E816-Q820 WeakPolarHBondContact O-CB 3.39Å; E816-Q820 VanDerWaalsContact O-CG 3.28Å; E816-Q820 WeakPolarHBondContact O-CG 3.24Å; E816-Q820 PolarHBondContact O-N 2.95Å; Q818-Q820 VanDerWaalsContact C-N 3.3Å; Q818-Q820 PolarHBondContact O-N 3.46Å; Q820-A823 PolarHBondContact O-N 3.05Å; Q820-T824 WeakPolarHBondContact O-CG2 3.49Å; Q820-T824 PolarHBondContact O-N 3.12Å |
| 821 | S | 93 | Very high | 93.7 | Very high | 70 Ų | 70 | 98.1 Ų | 98.1 | 49% | 0.49 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.8 | -50.8 | 174.1 | -173.3 | 0 | 0 | 0 | 0 | 111.2 | T817 Q818 A823 T824 R825 | T817-S821 WeakPolarHBondContact O-CB 3.38Å; T817-S821 PolarHBondContact O-N 2.95Å; Q818-S821 CarbonylContact O-C 3.58Å; Q818-S821 WeakPolarHBondContact O-CA 3.39Å; Q818-S821 VanDerWaalsContact O-CB 3.3Å; Q818-S821 WeakPolarHBondContact O-CB 3.2Å; Q818-S821 PolarHBondContact O-N 2.9Å; S821-A823 VanDerWaalsContact C-N 3.33Å; S821-A823 PolarHBondContact O-N 3.05Å; S821-T824 PolarHBondContact O-N 2.88Å; S821-T824 VanDerWaalsContact O-N 3.12Å; S821-T824 PolarHBondContact O-OG1 3.07Å; S821-R825 PolarHBondContact O-N 3.11Å |
| 822 | D | 93.7 | Very high | 93.8 | Very high | 65 Ų | 65 | 99.8 Ų | 99.8 | 35% | 0.348 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -37.9 | 178.7 | -70.9 | -33.5 | 0 | 0 | 0 | 111.9 | Q818 T824 R825 I826 | Q818-D822 PolarHBondContact O-N 3.45Å; D822-T824 PolarHBondContact O-N 3.12Å; D822-R825 WeakPolarHBondContact O-CB 3.38Å; D822-R825 PolarHBondContact O-N 2.86Å; D822-I826 VanDerWaalsContact O-CG1 3.29Å; D822-I826 WeakPolarHBondContact O-CG1 3.41Å; D822-I826 PolarHBondContact O-N 3.35Å |
| 823 | A | 95.8 | Very high | 93.9 | Very high | 47 Ų | 47 | 103.6 Ų | 103.6 | 39% | 0.388 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.8 | -36.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L819 Q820 S821 K827 | L819-A823 VanDerWaalsContact O-CB 3.24Å; L819-A823 WeakPolarHBondContact O-CB 3.47Å; L819-A823 PolarHBondContact O-N 3.08Å; Q820-A823 PolarHBondContact O-N 3.05Å; S821-A823 VanDerWaalsContact C-N 3.33Å; S821-A823 PolarHBondContact O-N 3.05Å; A823-K827 WeakPolarHBondContact O-CG 3.43Å; A823-K827 PolarHBondContact O-N 2.99Å |
| 824 | T | 94.1 | Very high | 94 | Very high | 79 Ų | 79 | 104.7 Ų | 104.7 | 49% | 0.485 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.3 | -35.3 | 172.6 | 63.1 | 0 | 0 | 0 | 0 | 112.2 | Q820 S821 D822 K827 W828 | Q820-T824 WeakPolarHBondContact O-CG2 3.49Å; Q820-T824 PolarHBondContact O-N 3.12Å; S821-T824 PolarHBondContact O-N 2.88Å; S821-T824 VanDerWaalsContact O-N 3.12Å; S821-T824 PolarHBondContact O-OG1 3.07Å; D822-T824 PolarHBondContact O-N 3.12Å; T824-K827 PolarHBondContact O-N 3.31Å; T824-W828 PolarHBondContact O-N 3.17Å; T824-W828 VanDerWaalsContact O-N 3.09Å |
| 825 | R | 95.3 | Very high | 94.2 | Very high | 167 Ų | 167 | 106 Ų | 106 | 63% | 0.63 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63 | -43.5 | 173.9 | -170.1 | 179.4 | -176.1 | 119.1 | 6.6 | 111.9 | S821 D822 K827 W828 L829 | S821-R825 PolarHBondContact O-N 3.11Å; D822-R825 WeakPolarHBondContact O-CB 3.38Å; D822-R825 PolarHBondContact O-N 2.86Å; R825-K827 VanDerWaalsContact C-N 3.31Å; R825-K827 PolarHBondContact O-N 3.25Å; R825-W828 PolarHBondContact O-N 2.86Å; R825-L829 HydrophobicContact CG-CD1 4.16Å; R825-L829 WeakPolarHBondContact O-CG 3.35Å; R825-L829 PolarHBondContact O-N 2.9Å |
| 826 | I | 94.7 | Very high | 94.3 | Very high | 99 Ų | 99 | 106.8 Ų | 106.8 | 51% | 0.508 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.3 | -36.3 | 176.2 | -70.2 | 164.1 | 0 | 0 | 0 | 111.5 | D822 N830 | D822-I826 VanDerWaalsContact O-CG1 3.29Å; D822-I826 WeakPolarHBondContact O-CG1 3.41Å; D822-I826 PolarHBondContact O-N 3.35Å; I826-N830 PolarHBondContact O-N 3.31Å; I826-N830 VanDerWaalsContact O-N 3.07Å; I826-N830 PolarHBondContact O-ND2 3.27Å |
| 827 | K | 95.5 | Very high | 94.5 | Very high | 155 Ų | 155 | 104.8 Ų | 104.8 | 67% | 0.674 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.3 | -44.2 | 173.6 | -73.3 | 174.2 | -178.9 | -179.7 | 0 | 111.9 | A823 T824 R825 N830 Y831 | A823-K827 WeakPolarHBondContact O-CG 3.43Å; A823-K827 PolarHBondContact O-N 2.99Å; T824-K827 PolarHBondContact O-N 3.31Å; R825-K827 VanDerWaalsContact C-N 3.31Å; R825-K827 PolarHBondContact O-N 3.25Å; K827-N830 PolarHBondContact O-N 3.37Å; K827-Y831 PolarHBondContact O-N 2.98Å; K827-Y831 VanDerWaalsContact O-N 3.1Å |
| 828 | W | 93 | Very high | 94.6 | Very high | 184 Ų | 184 | 105.3 Ų | 105.3 | 70% | 0.697 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.6 | -47.7 | 175.2 | -90.7 | 109 | 0 | 0 | 0 | 112.8 | T824 R825 N830 Y831 E832 | T824-W828 PolarHBondContact O-N 3.17Å; T824-W828 VanDerWaalsContact O-N 3.09Å; R825-W828 PolarHBondContact O-N 2.86Å; W828-N830 VanDerWaalsContact C-N 3.28Å; W828-N830 PolarHBondContact O-N 3.16Å; W828-Y831 HydrophobicContact CE3-CD1 4.22Å; W828-Y831 HydrophobicContact CZ3-CD1 4.02Å; W828-Y831 HydrophobicContact CZ3-CE1 4.37Å; W828-Y831 WeakPolarHBondContact O-CB 3.2Å; W828-Y831 PolarHBondContact O-N 3.15Å; W828-Y831 VanDerWaalsContact O-N 3.1Å; W828-E832 PolarHBondContact O-N 2.98Å |
| 829 | L | 94.8 | Very high | 94.7 | Very high | 87 Ų | 87 | 102.6 Ų | 102.6 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.7 | -32.8 | 178.6 | -69.5 | 169.2 | 0 | 0 | 0 | 112.8 | R825 R833 | R825-L829 HydrophobicContact CG-CD1 4.16Å; R825-L829 WeakPolarHBondContact O-CG 3.35Å; R825-L829 PolarHBondContact O-N 2.9Å; L829-R833 VanDerWaalsContact O-CB 3.25Å; L829-R833 WeakPolarHBondContact O-CB 3.18Å; L829-R833 PolarHBondContact O-N 3.08Å |
| 830 | N | 94.5 | Very high | 94.8 | Very high | 79 Ų | 79 | 100 Ų | 100 | 42% | 0.422 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -72 | -35 | 173.5 | -82.3 | -68.5 | 0 | 0 | 0 | 112.9 | I826 K827 W828 Q834 | I826-N830 PolarHBondContact O-N 3.31Å; I826-N830 VanDerWaalsContact O-N 3.07Å; I826-N830 PolarHBondContact O-ND2 3.27Å; K827-N830 PolarHBondContact O-N 3.37Å; W828-N830 VanDerWaalsContact C-N 3.28Å; W828-N830 PolarHBondContact O-N 3.16Å; N830-Q834 PolarHBondContact O-N 3.31Å |
| 831 | Y | 96.5 | Very high | 94.9 | Very high | 132 Ų | 132 | 97.7 Ų | 97.7 | 52% | 0.518 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.4 | -45.2 | 174.2 | 178.7 | -104.3 | 0 | 0 | 0 | 111.7 | K827 W828 Q834 Q835 | K827-Y831 PolarHBondContact O-N 2.98Å; K827-Y831 VanDerWaalsContact O-N 3.1Å; W828-Y831 HydrophobicContact CE3-CD1 4.22Å; W828-Y831 HydrophobicContact CZ3-CD1 4.02Å; W828-Y831 HydrophobicContact CZ3-CE1 4.37Å; W828-Y831 WeakPolarHBondContact O-CB 3.2Å; W828-Y831 PolarHBondContact O-N 3.15Å; W828-Y831 VanDerWaalsContact O-N 3.1Å; Y831-Q834 PolarHBondContact O-N 2.91Å; Y831-Q834 VanDerWaalsContact O-N 3.17Å; Y831-Q835 HydrophobicContact CE1-CG 4.32Å; Y831-Q835 VanDerWaalsContact CZ-NE2 3.3Å; Y831-Q835 PolarHBondContact O-N 3.08Å; Y831-Q835 PolarHBondContact OH-NE2 3.33Å |
| 832 | E | 94.2 | Very high | 95 | Very high | 108 Ų | 108 | 100.4 Ų | 100.4 | 51% | 0.505 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.3 | -46.3 | 173.6 | -176.8 | 173.7 | -150.4 | 0 | 0 | 111.5 | W828 Q834 Q835 I836 | W828-E832 PolarHBondContact O-N 2.98Å; E832-Q834 VanDerWaalsContact C-N 3.32Å; E832-Q834 PolarHBondContact O-N 3.26Å; E832-Q835 PolarHBondContact O-N 2.98Å; E832-I836 HydrophobicContact CG-CD1 4.17Å; E832-I836 WeakPolarHBondContact O-CG1 3.47Å; E832-I836 PolarHBondContact O-N 2.79Å |
| 833 | R | 94.4 | Very high | 95 | Very high | 152 Ų | 152 | 101.2 Ų | 101.2 | 57% | 0.574 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -56.5 | -41.5 | 172.6 | 173.3 | 177.9 | 161.3 | -108.7 | -10.1 | 112.7 | L829 I836 V837 | L829-R833 VanDerWaalsContact O-CB 3.25Å; L829-R833 WeakPolarHBondContact O-CB 3.18Å; L829-R833 PolarHBondContact O-N 3.08Å; R833-I836 PolarHBondContact O-N 3.27Å; R833-V837 WeakPolarHBondContact O-CG2 3.3Å; R833-V837 PolarHBondContact O-N 3.04Å |
| 834 | Q | 94.7 | Very high | 94.9 | Very high | 94 Ų | 94 | 102.3 Ų | 102.3 | 44% | 0.439 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.9 | -43.9 | 178.5 | -171.8 | 61.4 | 48.8 | 0 | 0 | 111.5 | N830 Y831 E832 I836 V837 D838 | N830-Q834 PolarHBondContact O-N 3.31Å; Y831-Q834 PolarHBondContact O-N 2.91Å; Y831-Q834 VanDerWaalsContact O-N 3.17Å; E832-Q834 VanDerWaalsContact C-N 3.32Å; E832-Q834 PolarHBondContact O-N 3.26Å; Q834-I836 VanDerWaalsContact C-N 3.28Å; Q834-I836 PolarHBondContact O-N 3.48Å; Q834-V837 PolarHBondContact O-N 2.86Å; Q834-D838 PolarHBondContact NE2-OD1 3.43Å; Q834-D838 VanDerWaalsContact O-CG 3.25Å; Q834-D838 PolarHBondContact O-N 3.17Å |
| 835 | Q | 95.4 | Very high | 95 | Very high | 97 Ų | 97 | 106.2 Ų | 106.2 | 45% | 0.453 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.4 | -42.3 | 173.6 | -70.1 | -166.8 | -7.2 | 0 | 0 | 111.7 | Y831 E832 V837 D838 T839 | Y831-Q835 HydrophobicContact CE1-CG 4.32Å; Y831-Q835 VanDerWaalsContact CZ-NE2 3.3Å; Y831-Q835 PolarHBondContact O-N 3.08Å; Y831-Q835 PolarHBondContact OH-NE2 3.33Å; E832-Q835 PolarHBondContact O-N 2.98Å; Q835-V837 PolarHBondContact O-N 3.35Å; Q835-D838 PolarHBondContact O-N 3.28Å; Q835-T839 VanDerWaalsContact O-CG2 3.31Å; Q835-T839 WeakPolarHBondContact O-CG2 3.37Å; Q835-T839 PolarHBondContact O-N 3.16Å; Q835-T839 PolarHBondContact O-OG1 3.23Å |
| 836 | I | 95 | Very high | 94.8 | Very high | 95 Ų | 95 | 102.1 Ų | 102.1 | 49% | 0.487 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 176.8 | -68 | 164.8 | 0 | 0 | 0 | 110.6 | E832 R833 Q834 T839 V840 | E832-I836 HydrophobicContact CG-CD1 4.17Å; E832-I836 WeakPolarHBondContact O-CG1 3.47Å; E832-I836 PolarHBondContact O-N 2.79Å; R833-I836 PolarHBondContact O-N 3.27Å; Q834-I836 VanDerWaalsContact C-N 3.28Å; Q834-I836 PolarHBondContact O-N 3.48Å; I836-T839 PolarHBondContact O-N 3.13Å; I836-T839 PolarHBondContact O-OG1 3.01Å; I836-V840 HydrophobicContact CG2-CG2 4.45Å; I836-V840 WeakPolarHBondContact O-CG2 3.47Å; I836-V840 PolarHBondContact O-N 3.49Å |
| 837 | V | 96.1 | Very high | 94.6 | Very high | 58 Ų | 58 | 100.1 Ų | 100.1 | 35% | 0.352 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.1 | -49.7 | 175.9 | 171.7 | 0 | 0 | 0 | 0 | 111.5 | R833 Q834 Q835 T839 V840 D841 | R833-V837 WeakPolarHBondContact O-CG2 3.3Å; R833-V837 PolarHBondContact O-N 3.04Å; Q834-V837 PolarHBondContact O-N 2.86Å; Q835-V837 PolarHBondContact O-N 3.35Å; V837-T839 VanDerWaalsContact C-N 3.27Å; V837-T839 PolarHBondContact O-N 3.07Å; V837-V840 PolarHBondContact O-N 3.05Å; V837-V840 VanDerWaalsContact O-N 3.15Å; V837-D841 PolarHBondContact O-N 3.26Å |
| 838 | D | 95.6 | Very high | 94.5 | Very high | 86 Ų | 86 | 98.2 Ų | 98.2 | 46% | 0.46 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.9 | -36.2 | -179 | -62.9 | -13.7 | 0 | 0 | 0 | 112.1 | Q834 Q835 R842 | Q834-D838 PolarHBondContact NE2-OD1 3.43Å; Q834-D838 VanDerWaalsContact O-CG 3.25Å; Q834-D838 PolarHBondContact O-N 3.17Å; Q835-D838 PolarHBondContact O-N 3.28Å; D838-R842 PolarHBondContact O-N 3.37Å |
| 839 | T | 95.2 | Very high | 94.6 | Very high | 51 Ų | 51 | 95.7 Ų | 95.7 | 31% | 0.313 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -73.3 | -38.5 | 175.5 | 59.7 | 0 | 0 | 0 | 0 | 112.9 | Q835 I836 V837 R842 L843 | Q835-T839 VanDerWaalsContact O-CG2 3.31Å; Q835-T839 WeakPolarHBondContact O-CG2 3.37Å; Q835-T839 PolarHBondContact O-N 3.16Å; Q835-T839 PolarHBondContact O-OG1 3.23Å; I836-T839 PolarHBondContact O-N 3.13Å; I836-T839 PolarHBondContact O-OG1 3.01Å; V837-T839 VanDerWaalsContact C-N 3.27Å; V837-T839 PolarHBondContact O-N 3.07Å; T839-R842 PolarHBondContact O-N 2.74Å; T839-L843 WeakPolarHBondContact O-CB 3.45Å; T839-L843 WeakPolarHBondContact O-CG 3.23Å; T839-L843 PolarHBondContact O-N 3.37Å |
| 840 | V | 95.7 | Very high | 94.4 | Very high | 65 Ų | 65 | 93 Ų | 93 | 39% | 0.394 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 174.6 | 167.2 | 0 | 0 | 0 | 0 | 110.7 | I836 V837 R842 L843 N844 | I836-V840 HydrophobicContact CG2-CG2 4.45Å; I836-V840 WeakPolarHBondContact O-CG2 3.47Å; I836-V840 PolarHBondContact O-N 3.49Å; V837-V840 PolarHBondContact O-N 3.05Å; V837-V840 VanDerWaalsContact O-N 3.15Å; V840-R842 VanDerWaalsContact C-N 3.29Å; V840-R842 PolarHBondContact O-N 3.21Å; V840-L843 PolarHBondContact O-N 2.91Å; V840-N844 WeakPolarHBondContact CG1-ND2 3.16Å; V840-N844 WeakPolarHBondContact O-CB 3.28Å; V840-N844 VanDerWaalsContact O-CG 3.26Å; V840-N844 PolarHBondContact O-N 3.12Å; V840-N844 PolarHBondContact O-ND2 3.03Å |
| 841 | D | 94.9 | Very high | 94.3 | Very high | 82 Ų | 82 | 94.5 Ų | 94.5 | 44% | 0.439 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68.9 | -25.6 | 177.4 | -80.8 | -12.1 | 0 | 0 | 0 | 113.3 | V837 R845 | V837-D841 PolarHBondContact O-N 3.26Å; D841-R845 PolarHBondContact O-NE 3.29Å; D841-R845 PolarHBondContact O-NH2 3.1Å |
| 842 | R | 96.3 | Very high | 94.1 | Very high | 126 Ų | 126 | 91.7 Ų | 91.7 | 48% | 0.475 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -70.4 | -53.6 | 168.2 | -177.1 | 178.9 | 65.9 | -122.5 | -2.6 | 110.8 | D838 T839 V840 N844 R845 E846 | D838-R842 PolarHBondContact O-N 3.37Å; T839-R842 PolarHBondContact O-N 2.74Å; V840-R842 VanDerWaalsContact C-N 3.29Å; V840-R842 PolarHBondContact O-N 3.21Å; R842-N844 VanDerWaalsContact C-N 3.25Å; R842-N844 PolarHBondContact O-N 2.82Å; R842-R845 PolarHBondContact O-N 3.46Å; R842-E846 WeakPolarHBondContact CD-OE1 3.4Å; R842-E846 WeakPolarHBondContact CG-OE1 3.2Å; R842-E846 IonicContact NE-OE1 3.97Å; R842-E846 PolarHBondContact O-N 2.95Å |
| 843 | L | 94 | Very high | 94.1 | Very high | 83 Ų | 83 | 89.4 Ų | 89.4 | 44% | 0.435 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59 | -34.8 | 179.9 | -71.6 | 167.2 | 0 | 0 | 0 | 112.4 | T839 V840 N847 | T839-L843 WeakPolarHBondContact O-CB 3.45Å; T839-L843 WeakPolarHBondContact O-CG 3.23Å; T839-L843 PolarHBondContact O-N 3.37Å; V840-L843 PolarHBondContact O-N 2.91Å; L843-N847 VanDerWaalsContact O-CB 3.32Å; L843-N847 WeakPolarHBondContact O-CB 3.37Å; L843-N847 PolarHBondContact O-N 3.35Å; L843-N847 PolarHBondContact O-ND2 3.01Å |
| 844 | N | 94.1 | Very high | 93.8 | Very high | 70 Ų | 70 | 85.9 Ų | 85.9 | 37% | 0.374 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.7 | -42 | 174.9 | -79.3 | -29.5 | 0 | 0 | 0 | 112.2 | V840 R842 M848 | V840-N844 WeakPolarHBondContact CG1-ND2 3.16Å; V840-N844 WeakPolarHBondContact O-CB 3.28Å; V840-N844 VanDerWaalsContact O-CG 3.26Å; V840-N844 PolarHBondContact O-N 3.12Å; V840-N844 PolarHBondContact O-ND2 3.03Å; R842-N844 VanDerWaalsContact C-N 3.25Å; R842-N844 PolarHBondContact O-N 2.82Å; N844-M848 WeakPolarHBondContact O-CG 3.3Å; N844-M848 PolarHBondContact O-N 3.45Å; N844-M848 VanDerWaalsContact O-N 3.07Å |
| 845 | R | 94.6 | Very high | 93.8 | Very high | 161 Ų | 161 | 85.8 Ų | 85.8 | 61% | 0.608 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -67.8 | -42.4 | 176.8 | -79.1 | 174.1 | -76.4 | -171.4 | -5.7 | 111.7 | D841 R842 M848 Q849 | D841-R845 PolarHBondContact O-NE 3.29Å; D841-R845 PolarHBondContact O-NH2 3.1Å; R842-R845 PolarHBondContact O-N 3.46Å; R845-M848 PolarHBondContact O-N 3.47Å; R845-Q849 PolarHBondContact O-N 3.37Å; R845-Q849 VanDerWaalsContact O-N 3.15Å |
| 846 | E | 92.5 | Very high | 93.8 | Very high | 80 Ų | 80 | 86 Ų | 86 | 37% | 0.374 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.2 | -53 | 173.5 | -70.5 | 161.9 | 178.9 | 0 | 0 | 110.1 | R842 M848 Q849 I850 | R842-E846 WeakPolarHBondContact CD-OE1 3.4Å; R842-E846 WeakPolarHBondContact CG-OE1 3.2Å; R842-E846 IonicContact NE-OE1 3.97Å; R842-E846 PolarHBondContact O-N 2.95Å; E846-M848 VanDerWaalsContact C-N 3.27Å; E846-M848 PolarHBondContact O-N 2.91Å; E846-Q849 WeakPolarHBondContact O-CB 3.39Å; E846-Q849 PolarHBondContact O-N 3.37Å; E846-I850 VanDerWaalsContact O-CG1 3.3Å; E846-I850 WeakPolarHBondContact O-CG1 3.24Å; E846-I850 PolarHBondContact O-N 3.12Å |
| 847 | N | 89.7 | Confident | 93.6 | Very high | 58 Ų | 58 | 85.9 Ų | 85.9 | 31% | 0.31 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -55.9 | -36 | 177 | -87.8 | -82.2 | 0 | 0 | 0 | 114 | L843 I850 R851 | L843-N847 VanDerWaalsContact O-CB 3.32Å; L843-N847 WeakPolarHBondContact O-CB 3.37Å; L843-N847 PolarHBondContact O-N 3.35Å; L843-N847 PolarHBondContact O-ND2 3.01Å; N847-I850 PolarHBondContact O-N 3.34Å; N847-R851 VanDerWaalsContact O-CG 3.27Å; N847-R851 WeakPolarHBondContact O-CG 3.2Å; N847-R851 PolarHBondContact O-N 2.98Å |
| 848 | M | 93.3 | Very high | 93.4 | Very high | 115 Ų | 115 | 87 Ų | 87 | 57% | 0.567 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -68.5 | -39.6 | 175.3 | -72.1 | -63.9 | -174 | 0 | 0 | 112.5 | N844 R845 E846 R851 E852 | N844-M848 WeakPolarHBondContact O-CG 3.3Å; N844-M848 PolarHBondContact O-N 3.45Å; N844-M848 VanDerWaalsContact O-N 3.07Å; R845-M848 PolarHBondContact O-N 3.47Å; E846-M848 VanDerWaalsContact C-N 3.27Å; E846-M848 PolarHBondContact O-N 2.91Å; M848-R851 PolarHBondContact O-N 3.36Å; M848-E852 PolarHBondContact O-N 3.06Å; M848-E852 VanDerWaalsContact O-N 3.07Å |
| 849 | Q | 94.4 | Very high | 93.4 | Very high | 131 Ų | 131 | 88.5 Ų | 88.5 | 61% | 0.612 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -64.3 | -41.2 | 173.6 | -68.3 | 176.5 | -4.2 | 0 | 0 | 111.5 | R845 E846 R851 E852 N853 | R845-Q849 PolarHBondContact O-N 3.37Å; R845-Q849 VanDerWaalsContact O-N 3.15Å; E846-Q849 WeakPolarHBondContact O-CB 3.39Å; E846-Q849 PolarHBondContact O-N 3.37Å; Q849-R851 PolarHBondContact O-N 3.47Å; Q849-E852 PolarHBondContact O-N 2.84Å; Q849-N853 WeakPolarHBondContact O-CB 3.28Å; Q849-N853 VanDerWaalsContact O-CG 3.22Å; Q849-N853 PolarHBondContact O-N 3.32Å; Q849-N853 PolarHBondContact O-ND2 2.96Å |
| 850 | I | 92.3 | Very high | 93.4 | Very high | 29 Ų | 29 | 88.6 Ų | 88.6 | 15% | 0.149 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 175.5 | -61 | 177.5 | 0 | 0 | 0 | 110.6 | V264 E846 N847 N853 M854 | V264-I850 HydrophobicContact CB-CD1 4.47Å; V264-I850 HydrophobicContact CG1-CG2 3.87Å; E846-I850 VanDerWaalsContact O-CG1 3.3Å; E846-I850 WeakPolarHBondContact O-CG1 3.24Å; E846-I850 PolarHBondContact O-N 3.12Å; N847-I850 PolarHBondContact O-N 3.34Å; I850-N853 PolarHBondContact O-N 2.91Å; I850-M854 WeakPolarHBondContact O-CG 3.49Å; I850-M854 PolarHBondContact O-N 3.36Å |
| 851 | R | 91.9 | Very high | 93.2 | Very high | 111 Ų | 111 | 94.5 Ų | 94.5 | 42% | 0.419 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.9 | -44.9 | 178.1 | -73.7 | 172.5 | -174.1 | -168.3 | 3.6 | 112.4 | L689 N847 M848 Q849 M854 L855 | L689-R851 PolarHBondContact O-NH1 3.32Å; L689-R851 VanDerWaalsContact O-NH1 3.08Å; L689-R851 PolarHBondContact O-NH2 3.03Å; N847-R851 VanDerWaalsContact O-CG 3.27Å; N847-R851 WeakPolarHBondContact O-CG 3.2Å; N847-R851 PolarHBondContact O-N 2.98Å; M848-R851 PolarHBondContact O-N 3.36Å; Q849-R851 PolarHBondContact O-N 3.47Å; R851-M854 PolarHBondContact O-N 3.12Å; R851-L855 WeakPolarHBondContact O-CG 3.22Å; R851-L855 PolarHBondContact O-N 3.44Å |
| 852 | E | 92.8 | Very high | 93.2 | Very high | 73 Ų | 73 | 96.7 Ų | 96.7 | 34% | 0.341 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.4 | -40 | 177.6 | -179.8 | 54.8 | -154.5 | 0 | 0 | 112 | M848 Q849 M854 L855 Q856 R859 | M848-E852 PolarHBondContact O-N 3.06Å; M848-E852 VanDerWaalsContact O-N 3.07Å; Q849-E852 PolarHBondContact O-N 2.84Å; E852-M854 VanDerWaalsContact C-N 3.3Å; E852-M854 PolarHBondContact O-N 3.29Å; E852-L855 PolarHBondContact O-N 3.39Å; E852-Q856 WeakPolarHBondContact O-CG 3.27Å; E852-Q856 PolarHBondContact O-N 3.18Å; E852-Q856 WeakPolarHBondContact OE1-CG 3.34Å; E852-Q856 PolarHBondContact OE1-NE2 2.84Å; E852-R859 IonicContact OE1-CZ 3.06Å; E852-R859 IonicContact OE1-NH1 2.74Å; E852-R859 IonicContact OE1-NH2 3.38Å; E852-R859 PolarHBondContact OE1-NH2 2.91Å; E852-R859 IonicContact OE2-NH2 3.98Å; E852-R859 PolarHBondContact OE2-NH2 3.19Å |
| 853 | N | 94.2 | Very high | 93.1 | Very high | 61 Ų | 61 | 97.1 Ų | 97.1 | 33% | 0.326 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -58.7 | -41.1 | 173.7 | -75.7 | -19.4 | 0 | 0 | 0 | 111.8 | G266 Q849 I850 Q856 R857 | G266-N853 PolarHBondContact O-ND2 3.23Å; Q849-N853 WeakPolarHBondContact O-CB 3.28Å; Q849-N853 VanDerWaalsContact O-CG 3.22Å; Q849-N853 PolarHBondContact O-N 3.32Å; Q849-N853 PolarHBondContact O-ND2 2.96Å; I850-N853 PolarHBondContact O-N 2.91Å; N853-Q856 PolarHBondContact O-N 3.12Å; N853-R857 VanDerWaalsContact O-CG 3.3Å; N853-R857 WeakPolarHBondContact O-CG 3.14Å; N853-R857 PolarHBondContact O-N 2.77Å |
| 854 | M | 86.9 | Confident | 93.2 | Very high | 78 Ų | 78 | 99.1 Ų | 99.1 | 38% | 0.384 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.3 | -47.5 | 174 | -70.1 | -61.9 | -71.9 | 0 | 0 | 111.7 | I850 R851 E852 Q856 R857 D858 | I850-M854 WeakPolarHBondContact O-CG 3.49Å; I850-M854 PolarHBondContact O-N 3.36Å; R851-M854 PolarHBondContact O-N 3.12Å; E852-M854 VanDerWaalsContact C-N 3.3Å; E852-M854 PolarHBondContact O-N 3.29Å; M854-Q856 PolarHBondContact O-N 3.47Å; M854-R857 WeakPolarHBondContact O-CB 3.41Å; M854-R857 PolarHBondContact O-N 2.87Å; M854-R857 PolarHBondContact SD-NH1 3.38Å; M854-D858 PolarHBondContact O-N 3.37Å |
| 855 | L | 95 | Very high | 93.1 | Very high | 92 Ų | 92 | 101.5 Ų | 101.5 | 48% | 0.482 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.2 | -28.8 | 176.2 | -71.2 | 170.2 | 0 | 0 | 0 | 113.1 | R851 E852 R859 | R851-L855 WeakPolarHBondContact O-CG 3.22Å; R851-L855 PolarHBondContact O-N 3.44Å; E852-L855 PolarHBondContact O-N 3.39Å; L855-R859 WeakPolarHBondContact O-CB 3.43Å; L855-R859 WeakPolarHBondContact O-CG 3.48Å; L855-R859 PolarHBondContact O-N 2.94Å; L855-R859 PolarHBondContact O-NE 3.12Å |
| 856 | Q | 94.4 | Very high | 93.1 | Very high | 101 Ų | 101 | 99.3 Ų | 99.3 | 47% | 0.472 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -75.9 | -41.4 | 173.2 | -70.5 | 179 | 19.7 | 0 | 0 | 112.2 | E852 N853 M854 D858 R859 A860 | E852-Q856 WeakPolarHBondContact O-CG 3.27Å; E852-Q856 PolarHBondContact O-N 3.18Å; E852-Q856 WeakPolarHBondContact OE1-CG 3.34Å; E852-Q856 PolarHBondContact OE1-NE2 2.84Å; N853-Q856 PolarHBondContact O-N 3.12Å; M854-Q856 PolarHBondContact O-N 3.47Å; Q856-D858 VanDerWaalsContact C-N 3.35Å; Q856-D858 PolarHBondContact O-N 3.19Å; Q856-R859 PolarHBondContact O-N 2.97Å; Q856-A860 PolarHBondContact O-N 3.46Å |
| 857 | R | 91.2 | Very high | 93.3 | Very high | 92 Ų | 92 | 97.2 Ų | 97.2 | 35% | 0.347 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58.7 | -45.2 | 171.9 | -70.1 | 165.2 | -177.7 | 166.7 | -0.6 | 111.2 | E265 N853 M854 A860 W861 | E265-R857 PolarHBondContact O-NH1 2.91Å; N853-R857 VanDerWaalsContact O-CG 3.3Å; N853-R857 WeakPolarHBondContact O-CG 3.14Å; N853-R857 PolarHBondContact O-N 2.77Å; M854-R857 WeakPolarHBondContact O-CB 3.41Å; M854-R857 PolarHBondContact O-N 2.87Å; M854-R857 PolarHBondContact SD-NH1 3.38Å; R857-A860 PolarHBondContact O-N 2.95Å; R857-W861 WeakPolarHBondContact O-CB 3.42Å; R857-W861 VanDerWaalsContact O-CD1 3.29Å; R857-W861 PolarHBondContact O-N 3.23Å |
| 858 | D | 92.1 | Very high | 93.4 | Very high | 81 Ų | 81 | 98.1 Ų | 98.1 | 43% | 0.433 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 179.2 | -67.8 | -23.2 | 0 | 0 | 0 | 112.1 | M854 Q856 W861 M862 | M854-D858 PolarHBondContact O-N 3.37Å; Q856-D858 VanDerWaalsContact C-N 3.35Å; Q856-D858 PolarHBondContact O-N 3.19Å; D858-W861 PolarHBondContact O-N 3.49Å; D858-M862 WeakPolarHBondContact O-CG 3.21Å; D858-M862 PolarHBondContact O-N 2.89Å |
| 859 | R | 96.1 | Very high | 93.5 | Very high | 119 Ų | 119 | 96.9 Ų | 96.9 | 45% | 0.449 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 173.5 | -81.5 | 175.2 | -82.3 | -179 | -2.1 | 111.6 | E852 L855 Q856 M862 Q863 | E852-R859 IonicContact OE1-CZ 3.06Å; E852-R859 IonicContact OE1-NH1 2.74Å; E852-R859 IonicContact OE1-NH2 3.38Å; E852-R859 PolarHBondContact OE1-NH2 2.91Å; E852-R859 IonicContact OE2-NH2 3.98Å; E852-R859 PolarHBondContact OE2-NH2 3.19Å; L855-R859 WeakPolarHBondContact O-CB 3.43Å; L855-R859 WeakPolarHBondContact O-CG 3.48Å; L855-R859 PolarHBondContact O-N 2.94Å; L855-R859 PolarHBondContact O-NE 3.12Å; Q856-R859 PolarHBondContact O-N 2.97Å; R859-M862 PolarHBondContact O-N 3Å; R859-Q863 WeakPolarHBondContact O-CG 3.45Å; R859-Q863 PolarHBondContact O-N 3.32Å; R859-Q863 VanDerWaalsContact O-N 3.1Å |
| 860 | A | 95.9 | Very high | 93.6 | Very high | 53 Ų | 53 | 95.9 Ų | 95.9 | 44% | 0.438 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.7 | -40 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q856 R857 Q863 R864 | Q856-A860 PolarHBondContact O-N 3.46Å; R857-A860 PolarHBondContact O-N 2.95Å; A860-Q863 PolarHBondContact O-N 3.42Å; A860-R864 PolarHBondContact O-N 3.19Å |
| 861 | W | 90.2 | Very high | 93.7 | Very high | 188 Ų | 188 | 98.7 Ų | 98.7 | 71% | 0.712 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -64.7 | -41.9 | 175.8 | -88.9 | 116 | 0 | 0 | 0 | 112.5 | R857 D858 R864 K865 | R857-W861 WeakPolarHBondContact O-CB 3.42Å; R857-W861 VanDerWaalsContact O-CD1 3.29Å; R857-W861 PolarHBondContact O-N 3.23Å; D858-W861 PolarHBondContact O-N 3.49Å; W861-R864 PolarHBondContact O-N 3.3Å; W861-K865 WeakPolarHBondContact O-CB 3.19Å; W861-K865 PolarHBondContact O-N 3.42Å |
| 862 | M | 94.5 | Very high | 93.8 | Very high | 129 Ų | 129 | 99.8 Ų | 99.8 | 64% | 0.635 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.1 | -41.6 | 174.3 | -74 | -159.2 | -68.2 | 0 | 0 | 112 | D858 R859 K865 Q866 | D858-M862 WeakPolarHBondContact O-CG 3.21Å; D858-M862 PolarHBondContact O-N 2.89Å; R859-M862 PolarHBondContact O-N 3Å; M862-K865 PolarHBondContact O-N 3.33Å; M862-Q866 WeakPolarHBondContact O-CB 3.41Å; M862-Q866 PolarHBondContact O-N 3Å |
| 863 | Q | 95.3 | Very high | 93.9 | Very high | 135 Ų | 135 | 101.9 Ų | 101.9 | 63% | 0.631 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.7 | -46.7 | 174.4 | -73.5 | 174.2 | -11.6 | 0 | 0 | 112.2 | R859 A860 K865 Q866 A867 | R859-Q863 WeakPolarHBondContact O-CG 3.45Å; R859-Q863 PolarHBondContact O-N 3.32Å; R859-Q863 VanDerWaalsContact O-N 3.1Å; A860-Q863 PolarHBondContact O-N 3.42Å; Q863-K865 PolarHBondContact O-N 2.97Å; Q863-Q866 PolarHBondContact O-N 3.12Å; Q863-A867 PolarHBondContact O-N 3.07Å |
| 864 | R | 95.6 | Very high | 93.9 | Very high | 124 Ų | 124 | 101.4 Ų | 101.4 | 47% | 0.468 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.9 | -35 | 178.5 | -174.1 | 54.9 | 179.7 | 144.4 | 1.5 | 112.3 | A860 W861 A867 L868 E871 | A860-R864 PolarHBondContact O-N 3.19Å; W861-R864 PolarHBondContact O-N 3.3Å; R864-A867 PolarHBondContact O-N 3Å; R864-L868 HydrophobicContact CG-CD1 4.14Å; R864-L868 WeakPolarHBondContact O-CB 3.47Å; R864-L868 WeakPolarHBondContact O-CG 3.37Å; R864-L868 PolarHBondContact O-N 3.03Å; R864-E871 IonicContact NH1-OE2 2.77Å; R864-E871 PolarHBondContact NH1-OE2 3.14Å; R864-E871 IonicContact NH2-OE2 2.68Å |
| 865 | K | 91.9 | Very high | 94.2 | Very high | 120 Ų | 120 | 102.2 Ų | 102.2 | 52% | 0.522 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.2 | -49.8 | 171.3 | -178.8 | -170.9 | 165.5 | -170.5 | 0 | 110.9 | W861 M862 Q863 A867 L868 E869 | W861-K865 WeakPolarHBondContact O-CB 3.19Å; W861-K865 PolarHBondContact O-N 3.42Å; M862-K865 PolarHBondContact O-N 3.33Å; Q863-K865 PolarHBondContact O-N 2.97Å; K865-A867 VanDerWaalsContact C-N 3.33Å; K865-A867 PolarHBondContact O-N 3.11Å; K865-L868 PolarHBondContact O-N 3.48Å; K865-E869 WeakPolarHBondContact CE-OE1 3.42Å; K865-E869 WeakPolarHBondContact CE-OE2 3.45Å; K865-E869 HydrophobicContact CG-CG 4.5Å; K865-E869 IonicContact NZ-OE1 3.65Å; K865-E869 WeakPolarHBondContact O-CG 3.49Å; K865-E869 PolarHBondContact O-N 3.26Å |
| 866 | Q | 94.9 | Very high | 94.3 | Very high | 115 Ų | 115 | 103.6 Ų | 103.6 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 179.8 | -175 | 177 | 2.1 | 0 | 0 | 111.7 | M862 Q863 E869 Q870 | M862-Q866 WeakPolarHBondContact O-CB 3.41Å; M862-Q866 PolarHBondContact O-N 3Å; Q863-Q866 PolarHBondContact O-N 3.12Å; Q866-E869 PolarHBondContact O-N 3.27Å; Q866-Q870 WeakPolarHBondContact O-CG 3.46Å; Q866-Q870 PolarHBondContact O-N 2.93Å |
| 867 | A | 96.4 | Very high | 94.4 | Very high | 36 Ų | 36 | 104.5 Ų | 104.5 | 30% | 0.298 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q863 R864 K865 E869 Q870 E871 | Q863-A867 PolarHBondContact O-N 3.07Å; R864-A867 PolarHBondContact O-N 3Å; K865-A867 VanDerWaalsContact C-N 3.33Å; K865-A867 PolarHBondContact O-N 3.11Å; A867-E869 VanDerWaalsContact C-N 3.31Å; A867-E869 PolarHBondContact O-N 3.02Å; A867-Q870 PolarHBondContact O-N 3.35Å; A867-E871 WeakPolarHBondContact O-CB 3.44Å; A867-E871 PolarHBondContact O-N 3.34Å |
| 868 | L | 92.8 | Very high | 94.6 | Very high | 78 Ų | 78 | 105.3 Ų | 105.3 | 41% | 0.408 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.8 | -31 | 175.4 | -75 | 167.2 | 0 | 0 | 0 | 112.9 | R864 K865 K872 | R864-L868 HydrophobicContact CG-CD1 4.14Å; R864-L868 WeakPolarHBondContact O-CB 3.47Å; R864-L868 WeakPolarHBondContact O-CG 3.37Å; R864-L868 PolarHBondContact O-N 3.03Å; K865-L868 PolarHBondContact O-N 3.48Å; L868-K872 WeakPolarHBondContact O-CB 3.26Å; L868-K872 PolarHBondContact O-N 2.76Å |
| 869 | E | 94.8 | Very high | 94.6 | Very high | 89 Ų | 89 | 107.4 Ų | 107.4 | 42% | 0.416 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73.1 | -30.9 | 174.7 | -75.3 | 176.7 | 157 | 0 | 0 | 112.1 | K865 Q866 A867 Q873 | K865-E869 WeakPolarHBondContact CE-OE1 3.42Å; K865-E869 WeakPolarHBondContact CE-OE2 3.45Å; K865-E869 HydrophobicContact CG-CG 4.5Å; K865-E869 IonicContact NZ-OE1 3.65Å; K865-E869 WeakPolarHBondContact O-CG 3.49Å; K865-E869 PolarHBondContact O-N 3.26Å; Q866-E869 PolarHBondContact O-N 3.27Å; A867-E869 VanDerWaalsContact C-N 3.31Å; A867-E869 PolarHBondContact O-N 3.02Å; E869-Q873 VanDerWaalsContact O-CG 3.3Å; E869-Q873 WeakPolarHBondContact O-CG 3.41Å; E869-Q873 PolarHBondContact O-N 3.3Å |
| 870 | Q | 95.7 | Very high | 94.6 | Very high | 109 Ų | 109 | 107.8 Ų | 107.8 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -72.6 | -46.9 | 170.5 | -71 | 171.5 | -29.4 | 0 | 0 | 112.1 | Q866 A867 K872 Q873 S874 | Q866-Q870 WeakPolarHBondContact O-CG 3.46Å; Q866-Q870 PolarHBondContact O-N 2.93Å; A867-Q870 PolarHBondContact O-N 3.35Å; Q870-K872 PolarHBondContact O-N 2.77Å; Q870-Q873 WeakPolarHBondContact O-CA 3.49Å; Q870-Q873 WeakPolarHBondContact O-CB 3.44Å; Q870-Q873 PolarHBondContact O-N 3.19Å; Q870-S874 PolarHBondContact O-N 2.88Å |
| 871 | E | 94.8 | Very high | 94.6 | Very high | 88 Ų | 88 | 110.9 Ų | 110.9 | 41% | 0.411 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -56.3 | -39.9 | 174.8 | -168.2 | -176.9 | 143.4 | 0 | 0 | 111.1 | R864 A867 Q873 S874 L875 | R864-E871 IonicContact NH1-OE2 2.77Å; R864-E871 PolarHBondContact NH1-OE2 3.14Å; R864-E871 IonicContact NH2-OE2 2.68Å; A867-E871 WeakPolarHBondContact O-CB 3.44Å; A867-E871 PolarHBondContact O-N 3.34Å; E871-Q873 VanDerWaalsContact C-N 3.3Å; E871-Q873 PolarHBondContact O-N 3.15Å; E871-S874 PolarHBondContact O-OG 3.47Å; E871-S874 VanDerWaalsContact O-OG 3.11Å; E871-L875 HydrophobicContact CG-CD1 4.39Å; E871-L875 WeakPolarHBondContact O-CB 3.46Å; E871-L875 VanDerWaalsContact O-CG 3.28Å; E871-L875 WeakPolarHBondContact O-CG 3.47Å; E871-L875 PolarHBondContact O-N 2.99Å |
| 872 | K | 93.8 | Very high | 94.6 | Very high | 135 Ų | 135 | 106.1 Ų | 106.1 | 59% | 0.587 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.1 | -19.9 | 173.2 | 179.8 | 177.7 | 176.3 | -177.8 | 0 | 114.2 | L868 Q870 K876 | L868-K872 WeakPolarHBondContact O-CB 3.26Å; L868-K872 PolarHBondContact O-N 2.76Å; Q870-K872 PolarHBondContact O-N 2.77Å; K872-K876 VanDerWaalsContact O-CG 3.32Å; K872-K876 WeakPolarHBondContact O-CG 3.47Å |
| 873 | Q | 94.9 | Very high | 94.7 | Very high | 117 Ų | 117 | 104.2 Ų | 104.2 | 55% | 0.547 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -83.2 | -48.6 | 173.4 | -75.3 | 168 | 5.3 | 0 | 0 | 110.5 | E869 Q870 E871 L875 K876 E877 | E869-Q873 VanDerWaalsContact O-CG 3.3Å; E869-Q873 WeakPolarHBondContact O-CG 3.41Å; E869-Q873 PolarHBondContact O-N 3.3Å; Q870-Q873 WeakPolarHBondContact O-CA 3.49Å; Q870-Q873 WeakPolarHBondContact O-CB 3.44Å; Q870-Q873 PolarHBondContact O-N 3.19Å; E871-Q873 VanDerWaalsContact C-N 3.3Å; E871-Q873 PolarHBondContact O-N 3.15Å; Q873-L875 PolarHBondContact O-N 3.48Å; Q873-K876 WeakPolarHBondContact O-CB 3.48Å; Q873-K876 PolarHBondContact O-N 3.21Å; Q873-E877 PolarHBondContact O-N 3Å |
| 874 | S | 95.1 | Very high | 94.7 | Very high | 50 Ų | 50 | 102.3 Ų | 102.3 | 35% | 0.35 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.3 | -45 | 177 | 60 | 0 | 0 | 0 | 0 | 112.2 | Q870 E871 K876 E877 E878 | Q870-S874 PolarHBondContact O-N 2.88Å; E871-S874 PolarHBondContact O-OG 3.47Å; E871-S874 VanDerWaalsContact O-OG 3.11Å; S874-K876 PolarHBondContact O-N 2.78Å; S874-K876 VanDerWaalsContact O-N 3.17Å; S874-E877 PolarHBondContact O-N 3.07Å; S874-E877 VanDerWaalsContact O-N 3.08Å; S874-E878 WeakPolarHBondContact O-CG 3.37Å; S874-E878 PolarHBondContact O-N 3.24Å |
| 875 | L | 93.7 | Very high | 94.7 | Very high | 96 Ų | 96 | 100.2 Ų | 100.2 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -24 | 176.5 | -72.1 | 171.3 | 0 | 0 | 0 | 113.6 | E871 Q873 L879 | E871-L875 HydrophobicContact CG-CD1 4.39Å; E871-L875 WeakPolarHBondContact O-CB 3.46Å; E871-L875 VanDerWaalsContact O-CG 3.28Å; E871-L875 WeakPolarHBondContact O-CG 3.47Å; E871-L875 PolarHBondContact O-N 2.99Å; Q873-L875 PolarHBondContact O-N 3.48Å; L875-L879 WeakPolarHBondContact O-CB 3.49Å; L875-L879 PolarHBondContact O-N 2.92Å; L875-L879 VanDerWaalsContact O-N 3.12Å |
| 876 | K | 96 | Very high | 94.7 | Very high | 121 Ų | 121 | 98 Ų | 98 | 53% | 0.526 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -77.6 | -43.8 | 171.6 | -81 | 177.2 | 166.3 | -158.8 | 0 | 111.9 | K872 Q873 S874 E878 L879 E880 | K872-K876 VanDerWaalsContact O-CG 3.32Å; K872-K876 WeakPolarHBondContact O-CG 3.47Å; Q873-K876 WeakPolarHBondContact O-CB 3.48Å; Q873-K876 PolarHBondContact O-N 3.21Å; S874-K876 PolarHBondContact O-N 2.78Å; S874-K876 VanDerWaalsContact O-N 3.17Å; K876-E878 VanDerWaalsContact C-N 3.28Å; K876-E878 PolarHBondContact O-N 3.26Å; K876-L879 WeakPolarHBondContact O-CB 3.42Å; K876-L879 PolarHBondContact O-N 3.46Å; K876-E880 WeakPolarHBondContact O-CG 3.33Å; K876-E880 PolarHBondContact O-N 3.47Å |
| 877 | E | 96.1 | Very high | 94.7 | Very high | 119 Ų | 119 | 95.5 Ų | 95.5 | 56% | 0.556 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.4 | -39 | 176.7 | -68.5 | 174.6 | -165.3 | 0 | 0 | 110.7 | Q873 S874 E880 Q881 | Q873-E877 PolarHBondContact O-N 3Å; S874-E877 PolarHBondContact O-N 3.07Å; S874-E877 VanDerWaalsContact O-N 3.08Å; E877-E880 PolarHBondContact O-N 3.41Å; E877-Q881 WeakPolarHBondContact O-CB 3.12Å; E877-Q881 WeakPolarHBondContact O-CG 3.14Å; E877-Q881 PolarHBondContact O-N 2.67Å; E877-Q881 PolarHBondContact O-NE2 3.28Å |
| 878 | E | 96 | Very high | 94.6 | Very high | 109 Ų | 109 | 98.7 Ų | 98.7 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 171.5 | -72.5 | 172.1 | -154.2 | 0 | 0 | 112.5 | S874 K876 Q881 C882 | S874-E878 WeakPolarHBondContact O-CG 3.37Å; S874-E878 PolarHBondContact O-N 3.24Å; K876-E878 VanDerWaalsContact C-N 3.28Å; K876-E878 PolarHBondContact O-N 3.26Å; E878-Q881 PolarHBondContact O-N 3.35Å; E878-C882 WeakPolarHBondContact O-CB 3.29Å; E878-C882 PolarHBondContact O-N 3.19Å |
| 879 | L | 93.3 | Very high | 94.5 | Very high | 125 Ų | 125 | 101.1 Ų | 101.1 | 65% | 0.654 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.6 | -43.3 | 175.2 | -173.1 | 77.7 | 0 | 0 | 0 | 111.7 | L875 K876 C882 N883 | L875-L879 WeakPolarHBondContact O-CB 3.49Å; L875-L879 PolarHBondContact O-N 2.92Å; L875-L879 VanDerWaalsContact O-N 3.12Å; K876-L879 WeakPolarHBondContact O-CB 3.42Å; K876-L879 PolarHBondContact O-N 3.46Å; L879-C882 PolarHBondContact O-N 3.39Å; L879-N883 VanDerWaalsContact O-CB 3.27Å; L879-N883 WeakPolarHBondContact O-CB 3.13Å; L879-N883 PolarHBondContact O-N 3.09Å |
| 880 | E | 95.3 | Very high | 94.5 | Very high | 128 Ų | 128 | 102.8 Ų | 102.8 | 60% | 0.598 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.1 | -42.7 | 177.5 | -73.3 | -178.4 | -163.9 | 0 | 0 | 111.4 | K876 E877 N883 N884 | K876-E880 WeakPolarHBondContact O-CG 3.33Å; K876-E880 PolarHBondContact O-N 3.47Å; E877-E880 PolarHBondContact O-N 3.41Å; E880-N883 PolarHBondContact O-N 2.93Å; E880-N884 WeakPolarHBondContact O-CB 3.42Å; E880-N884 PolarHBondContact O-N 3.33Å; E880-N884 PolarHBondContact O-ND2 2.88Å; E880-N884 VanDerWaalsContact O-ND2 3.13Å |
| 881 | Q | 95.6 | Very high | 94.5 | Very high | 118 Ų | 118 | 102 Ų | 102 | 55% | 0.551 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.1 | -47.6 | 172 | -74.5 | 171 | 59.3 | 0 | 0 | 112 | E877 E878 N883 N884 C885 | E877-Q881 WeakPolarHBondContact O-CB 3.12Å; E877-Q881 WeakPolarHBondContact O-CG 3.14Å; E877-Q881 PolarHBondContact O-N 2.67Å; E877-Q881 PolarHBondContact O-NE2 3.28Å; E878-Q881 PolarHBondContact O-N 3.35Å; Q881-N883 PolarHBondContact O-N 3.31Å; Q881-N884 PolarHBondContact O-N 3.25Å; Q881-C885 PolarHBondContact O-N 2.73Å; Q881-C885 PolarHBondContact O-SG 2.96Å; Q881-C885 VanDerWaalsContact O-SG 3.37Å |
| 882 | C | 91.4 | Very high | 94.5 | Very high | 87 Ų | 87 | 102.3 Ų | 102.3 | 59% | 0.588 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.6 | -44.4 | 178 | -175.9 | 0 | 0 | 0 | 0 | 111.6 | E878 L879 C885 L886 | E878-C882 WeakPolarHBondContact O-CB 3.29Å; E878-C882 PolarHBondContact O-N 3.19Å; L879-C882 PolarHBondContact O-N 3.39Å; C882-C885 PolarHBondContact O-N 3.48Å; C882-L886 WeakPolarHBondContact O-CB 3.38Å; C882-L886 PolarHBondContact O-N 3.28Å |
| 883 | N | 95.2 | Very high | 94.3 | Very high | 89 Ų | 89 | 98.2 Ų | 98.2 | 48% | 0.476 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66 | -40.3 | 176.9 | -170.9 | 31.6 | 0 | 0 | 0 | 112 | L879 E880 Q881 L886 T887 | L879-N883 VanDerWaalsContact O-CB 3.27Å; L879-N883 WeakPolarHBondContact O-CB 3.13Å; L879-N883 PolarHBondContact O-N 3.09Å; E880-N883 PolarHBondContact O-N 2.93Å; Q881-N883 PolarHBondContact O-N 3.31Å; N883-L886 WeakPolarHBondContact O-CB 3.49Å; N883-L886 PolarHBondContact O-N 2.81Å; N883-T887 WeakPolarHBondContact O-CG2 3.45Å; N883-T887 PolarHBondContact O-N 3.45Å; N883-T887 PolarHBondContact O-OG1 2.85Å |
| 884 | N | 96.2 | Very high | 94.4 | Very high | 95 Ų | 95 | 97.5 Ų | 97.5 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.9 | -48.1 | 174.2 | -72 | -26.7 | 0 | 0 | 0 | 111.1 | E880 Q881 L886 T887 L888 | E880-N884 WeakPolarHBondContact O-CB 3.42Å; E880-N884 PolarHBondContact O-N 3.33Å; E880-N884 PolarHBondContact O-ND2 2.88Å; E880-N884 VanDerWaalsContact O-ND2 3.13Å; Q881-N884 PolarHBondContact O-N 3.25Å; N884-L886 VanDerWaalsContact C-N 3.31Å; N884-L886 PolarHBondContact O-N 3.02Å; N884-T887 PolarHBondContact O-N 3.2Å; N884-T887 VanDerWaalsContact O-N 3.13Å; N884-T887 PolarHBondContact O-OG1 3.21Å; N884-L888 PolarHBondContact O-N 3.18Å |
| 885 | C | 95.6 | Very high | 94.4 | Very high | 81 Ų | 81 | 101.7 Ų | 101.7 | 55% | 0.547 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.7 | -41.8 | 172.9 | -71.3 | 0 | 0 | 0 | 0 | 112.4 | Q881 C882 T887 L888 Q889 | Q881-C885 PolarHBondContact O-N 2.73Å; Q881-C885 PolarHBondContact O-SG 2.96Å; Q881-C885 VanDerWaalsContact O-SG 3.37Å; C882-C885 PolarHBondContact O-N 3.48Å; C885-T887 VanDerWaalsContact C-N 3.35Å; C885-T887 PolarHBondContact O-N 3.14Å; C885-L888 PolarHBondContact O-N 3.49Å; C885-Q889 WeakPolarHBondContact O-CB 3.3Å; C885-Q889 PolarHBondContact O-N 2.67Å |
| 886 | L | 91.6 | Very high | 94.4 | Very high | 73 Ų | 73 | 101.8 Ų | 101.8 | 38% | 0.382 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63 | -37.8 | 175.6 | -170.6 | 78.9 | 0 | 0 | 0 | 112.2 | C882 N883 N884 K890 | C882-L886 WeakPolarHBondContact O-CB 3.38Å; C882-L886 PolarHBondContact O-N 3.28Å; N883-L886 WeakPolarHBondContact O-CB 3.49Å; N883-L886 PolarHBondContact O-N 2.81Å; N884-L886 VanDerWaalsContact C-N 3.31Å; N884-L886 PolarHBondContact O-N 3.02Å; L886-K890 HydrophobicContact CG-CD 4.35Å; L886-K890 WeakPolarHBondContact O-CB 3.33Å; L886-K890 WeakPolarHBondContact O-CD 3.39Å; L886-K890 WeakPolarHBondContact O-CG 3.34Å; L886-K890 PolarHBondContact O-N 3.37Å |
| 887 | T | 94.1 | Very high | 94.3 | Very high | 62 Ų | 62 | 103.1 Ų | 103.1 | 38% | 0.38 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.4 | -44.7 | 175.6 | 56.7 | 0 | 0 | 0 | 0 | 112.1 | N883 N884 C885 Q889 K890 E891 | N883-T887 WeakPolarHBondContact O-CG2 3.45Å; N883-T887 PolarHBondContact O-N 3.45Å; N883-T887 PolarHBondContact O-OG1 2.85Å; N884-T887 PolarHBondContact O-N 3.2Å; N884-T887 VanDerWaalsContact O-N 3.13Å; N884-T887 PolarHBondContact O-OG1 3.21Å; C885-T887 VanDerWaalsContact C-N 3.35Å; C885-T887 PolarHBondContact O-N 3.14Å; T887-Q889 PolarHBondContact O-N 2.8Å; T887-K890 WeakPolarHBondContact O-CB 3.25Å; T887-K890 PolarHBondContact O-N 2.7Å; T887-E891 PolarHBondContact O-N 2.67Å |
| 888 | L | 95.5 | Very high | 94.3 | Very high | 104 Ų | 104 | 101.5 Ų | 101.5 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 175.2 | -68.4 | 171.2 | 0 | 0 | 0 | 111.4 | N884 C885 K890 E891 D892 | N884-L888 PolarHBondContact O-N 3.18Å; C885-L888 PolarHBondContact O-N 3.49Å; L888-K890 VanDerWaalsContact C-N 3.28Å; L888-K890 PolarHBondContact O-N 2.78Å; L888-E891 WeakPolarHBondContact O-CB 3.09Å; L888-E891 PolarHBondContact O-N 3.16Å; L888-E891 VanDerWaalsContact O-N 3.16Å; L888-D892 PolarHBondContact O-N 2.67Å |
| 889 | Q | 90.6 | Very high | 94.3 | Very high | 129 Ų | 129 | 100.5 Ų | 100.5 | 60% | 0.603 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.5 | -34.6 | 176.8 | -169.6 | -178.3 | 9.7 | 0 | 0 | 112.3 | C885 T887 S893 | C885-Q889 WeakPolarHBondContact O-CB 3.3Å; C885-Q889 PolarHBondContact O-N 2.67Å; T887-Q889 PolarHBondContact O-N 2.8Å; Q889-S893 WeakPolarHBondContact O-CB 3.28Å; Q889-S893 PolarHBondContact O-N 3.18Å; Q889-S893 PolarHBondContact O-OG 2.83Å |
| 890 | K | 94.6 | Very high | 94.1 | Very high | 123 Ų | 123 | 100 Ų | 100 | 54% | 0.535 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.2 | -41.1 | 173.7 | -78.4 | 167.2 | 179.2 | 171.3 | 0 | 112.1 | L886 T887 L888 Q894 | L886-K890 HydrophobicContact CG-CD 4.35Å; L886-K890 WeakPolarHBondContact O-CB 3.33Å; L886-K890 WeakPolarHBondContact O-CD 3.39Å; L886-K890 WeakPolarHBondContact O-CG 3.34Å; L886-K890 PolarHBondContact O-N 3.37Å; T887-K890 WeakPolarHBondContact O-CB 3.25Å; T887-K890 PolarHBondContact O-N 2.7Å; L888-K890 VanDerWaalsContact C-N 3.28Å; L888-K890 PolarHBondContact O-N 2.78Å; K890-Q894 PolarHBondContact O-N 3.1Å |
| 891 | E | 95.6 | Very high | 94.1 | Very high | 94 Ų | 94 | 97.6 Ų | 97.6 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63 | -50 | 173.7 | -77.8 | -167.3 | -152.8 | 0 | 0 | 112 | T887 L888 S893 Q894 R895 | T887-E891 PolarHBondContact O-N 2.67Å; L888-E891 WeakPolarHBondContact O-CB 3.09Å; L888-E891 PolarHBondContact O-N 3.16Å; L888-E891 VanDerWaalsContact O-N 3.16Å; E891-S893 VanDerWaalsContact C-N 3.31Å; E891-S893 PolarHBondContact O-N 3.29Å; E891-Q894 CarbonylContact O-C 3.52Å; E891-Q894 WeakPolarHBondContact O-CA 3.3Å; E891-Q894 WeakPolarHBondContact O-CB 3.47Å; E891-Q894 PolarHBondContact O-N 3.25Å; E891-R895 WeakPolarHBondContact O-CG 3.47Å; E891-R895 PolarHBondContact O-N 3.44Å; E891-R895 IonicContact OE2-CZ 2.93Å; E891-R895 IonicContact OE2-NE 3.23Å; E891-R895 IonicContact OE2-NH2 3.71Å; E891-R895 PolarHBondContact OE2-NH2 3.2Å |
| 892 | D | 95 | Very high | 94.1 | Very high | 93 Ų | 93 | 96.4 Ų | 96.4 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 178.6 | -76.4 | -24.5 | 0 | 0 | 0 | 111.4 | L888 Q894 R895 V896 | L888-D892 PolarHBondContact O-N 2.67Å; D892-Q894 PolarHBondContact O-N 3.01Å; D892-R895 PolarHBondContact O-N 3.25Å; D892-R895 IonicContact OD1-NE 2.66Å; D892-V896 WeakPolarHBondContact O-CG2 3.49Å; D892-V896 PolarHBondContact O-N 2.99Å |
| 893 | S | 90.1 | Very high | 94.2 | Very high | 49 Ų | 49 | 95.5 Ų | 95.5 | 34% | 0.343 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61 | -31.5 | 171.7 | -60.2 | 0 | 0 | 0 | 0 | 112.5 | Q889 E891 R897 | Q889-S893 WeakPolarHBondContact O-CB 3.28Å; Q889-S893 PolarHBondContact O-N 3.18Å; Q889-S893 PolarHBondContact O-OG 2.83Å; E891-S893 VanDerWaalsContact C-N 3.31Å; E891-S893 PolarHBondContact O-N 3.29Å; S893-R897 WeakPolarHBondContact O-CG 3.17Å; S893-R897 VanDerWaalsContact O-CZ 3.25Å; S893-R897 PolarHBondContact O-N 2.89Å; S893-R897 PolarHBondContact O-NE 3.16Å; S893-R897 PolarHBondContact O-NH1 2.91Å |
| 894 | Q | 95.3 | Very high | 94.3 | Very high | 102 Ų | 102 | 94.1 Ų | 94.1 | 48% | 0.477 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -73.8 | -46.3 | 173.5 | -179 | 173.8 | -34.5 | 0 | 0 | 111.7 | K890 E891 D892 V896 R897 E898 | K890-Q894 PolarHBondContact O-N 3.1Å; E891-Q894 CarbonylContact O-C 3.52Å; E891-Q894 WeakPolarHBondContact O-CA 3.3Å; E891-Q894 WeakPolarHBondContact O-CB 3.47Å; E891-Q894 PolarHBondContact O-N 3.25Å; D892-Q894 PolarHBondContact O-N 3.01Å; Q894-V896 VanDerWaalsContact C-N 3.28Å; Q894-V896 PolarHBondContact O-N 3.42Å; Q894-R897 WeakPolarHBondContact O-CB 3.36Å; Q894-R897 PolarHBondContact O-N 3.45Å; Q894-E898 HydrophobicContact CG-CG 4.35Å; Q894-E898 WeakPolarHBondContact CG-OE1 3.28Å; Q894-E898 PolarHBondContact NE2-OE1 2.88Å; Q894-E898 WeakPolarHBondContact O-CG 3.47Å; Q894-E898 PolarHBondContact O-N 3.3Å |
| 895 | R | 95.3 | Very high | 94.2 | Very high | 139 Ų | 139 | 91.9 Ų | 91.9 | 53% | 0.525 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -55.1 | -45.3 | 176.6 | -65.5 | 167.2 | -166 | -138.4 | 6.1 | 110.8 | E891 D892 E898 D899 | E891-R895 WeakPolarHBondContact O-CG 3.47Å; E891-R895 PolarHBondContact O-N 3.44Å; E891-R895 IonicContact OE2-CZ 2.93Å; E891-R895 IonicContact OE2-NE 3.23Å; E891-R895 IonicContact OE2-NH2 3.71Å; E891-R895 PolarHBondContact OE2-NH2 3.2Å; D892-R895 PolarHBondContact O-N 3.25Å; D892-R895 IonicContact OD1-NE 2.66Å; R895-E898 PolarHBondContact O-N 2.8Å; R895-D899 WeakPolarHBondContact O-CB 3.2Å; R895-D899 PolarHBondContact O-N 3.21Å |
| 896 | V | 93.7 | Very high | 94.3 | Very high | 97 Ų | 97 | 96.1 Ų | 96.1 | 59% | 0.588 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.8 | -39.5 | 175.4 | 173 | 0 | 0 | 0 | 0 | 112.4 | D892 Q894 M900 | D892-V896 WeakPolarHBondContact O-CG2 3.49Å; D892-V896 PolarHBondContact O-N 2.99Å; Q894-V896 VanDerWaalsContact C-N 3.28Å; Q894-V896 PolarHBondContact O-N 3.42Å; V896-M900 VanDerWaalsContact O-CB 3.26Å; V896-M900 WeakPolarHBondContact O-CB 3.29Å; V896-M900 PolarHBondContact O-N 3.49Å |
| 897 | R | 94.7 | Very high | 94.3 | Very high | 150 Ų | 150 | 98 Ų | 98 | 57% | 0.566 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.9 | -42.6 | 173.9 | -76.9 | -176.5 | -60.4 | -95.6 | 2.1 | 112.3 | S893 Q894 M900 S901 | S893-R897 WeakPolarHBondContact O-CG 3.17Å; S893-R897 VanDerWaalsContact O-CZ 3.25Å; S893-R897 PolarHBondContact O-N 2.89Å; S893-R897 PolarHBondContact O-NE 3.16Å; S893-R897 PolarHBondContact O-NH1 2.91Å; Q894-R897 WeakPolarHBondContact O-CB 3.36Å; Q894-R897 PolarHBondContact O-N 3.45Å; R897-M900 PolarHBondContact O-N 3.39Å; R897-S901 PolarHBondContact O-N 2.92Å |
| 898 | E | 95.4 | Very high | 94.4 | Very high | 85 Ų | 85 | 100.3 Ų | 100.3 | 40% | 0.397 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 177.4 | -71.1 | 177.8 | -158.7 | 0 | 0 | 111.7 | Q894 R895 S901 K902 | Q894-E898 HydrophobicContact CG-CG 4.35Å; Q894-E898 WeakPolarHBondContact CG-OE1 3.28Å; Q894-E898 PolarHBondContact NE2-OE1 2.88Å; Q894-E898 WeakPolarHBondContact O-CG 3.47Å; Q894-E898 PolarHBondContact O-N 3.3Å; R895-E898 PolarHBondContact O-N 2.8Å; E898-S901 WeakPolarHBondContact O-CB 3.32Å; E898-S901 PolarHBondContact O-N 3.4Å; E898-K902 VanDerWaalsContact O-CE 3.32Å; E898-K902 WeakPolarHBondContact O-CE 3.39Å; E898-K902 VanDerWaalsContact O-CG 3.27Å; E898-K902 WeakPolarHBondContact O-CG 3.47Å; E898-K902 PolarHBondContact O-N 2.95Å; E898-K902 IonicContact OE2-NZ 2.62Å |
| 899 | D | 95.6 | Very high | 94.4 | Very high | 87 Ų | 87 | 100 Ų | 100 | 47% | 0.465 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.1 | -35.7 | 176.9 | -74.8 | -14.7 | 0 | 0 | 0 | 112.3 | R895 S901 K902 V903 | R895-D899 WeakPolarHBondContact O-CB 3.2Å; R895-D899 PolarHBondContact O-N 3.21Å; D899-S901 VanDerWaalsContact C-N 3.31Å; D899-S901 PolarHBondContact O-N 3.27Å; D899-K902 PolarHBondContact O-N 3Å; D899-K902 WeakPolarHBondContact OD1-CD 3.1Å; D899-K902 WeakPolarHBondContact OD1-CE 3.21Å; D899-K902 IonicContact OD1-NZ 2.75Å; D899-K902 PolarHBondContact OD1-NZ 3.11Å; D899-V903 WeakPolarHBondContact O-CB 3.46Å; D899-V903 WeakPolarHBondContact O-CG2 3.07Å; D899-V903 PolarHBondContact O-N 3.27Å |
| 900 | M | 90.2 | Very high | 94.5 | Very high | 115 Ų | 115 | 99.8 Ų | 99.8 | 57% | 0.567 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.4 | -42.7 | 168.9 | -173.2 | 60.9 | 67.8 | 0 | 0 | 111.1 | V896 R897 K902 V903 T904 | V896-M900 VanDerWaalsContact O-CB 3.26Å; V896-M900 WeakPolarHBondContact O-CB 3.29Å; V896-M900 PolarHBondContact O-N 3.49Å; R897-M900 PolarHBondContact O-N 3.39Å; M900-K902 PolarHBondContact O-N 3.03Å; M900-V903 PolarHBondContact O-N 2.94Å; M900-T904 HydrophobicContact CG-CG2 4.5Å; M900-T904 WeakPolarHBondContact O-CG2 2.9Å; M900-T904 PolarHBondContact O-N 2.8Å; M900-T904 PolarHBondContact O-OG1 3.45Å; M900-T904 VanDerWaalsContact O-OG1 3.04Å; M900-T904 HydrophobicContact SD-CG2 4.35Å |
| 901 | S | 94.2 | Very high | 94.6 | Very high | 77 Ų | 77 | 99.2 Ų | 99.2 | 54% | 0.538 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.5 | -37.6 | 174.7 | -170.7 | 0 | 0 | 0 | 0 | 112.9 | R897 E898 D899 T904 A905 | R897-S901 PolarHBondContact O-N 2.92Å; E898-S901 WeakPolarHBondContact O-CB 3.32Å; E898-S901 PolarHBondContact O-N 3.4Å; D899-S901 VanDerWaalsContact C-N 3.31Å; D899-S901 PolarHBondContact O-N 3.27Å; S901-T904 WeakPolarHBondContact CA-OG1 3.38Å; S901-T904 PolarHBondContact O-OG1 3.48Å; S901-A905 WeakPolarHBondContact O-CB 3.46Å; S901-A905 PolarHBondContact O-N 3.43Å; S901-A905 VanDerWaalsContact O-N 3.15Å |
| 902 | K | 96.2 | Very high | 94.6 | Very high | 93 Ų | 93 | 100.8 Ų | 100.8 | 40% | 0.404 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.5 | -36.4 | 175.3 | -66 | 160.2 | -146.5 | 160.6 | 0 | 111.3 | E898 D899 M900 R906 | E898-K902 VanDerWaalsContact O-CE 3.32Å; E898-K902 WeakPolarHBondContact O-CE 3.39Å; E898-K902 VanDerWaalsContact O-CG 3.27Å; E898-K902 WeakPolarHBondContact O-CG 3.47Å; E898-K902 PolarHBondContact O-N 2.95Å; E898-K902 IonicContact OE2-NZ 2.62Å; D899-K902 PolarHBondContact O-N 3Å; D899-K902 WeakPolarHBondContact OD1-CD 3.1Å; D899-K902 WeakPolarHBondContact OD1-CE 3.21Å; D899-K902 IonicContact OD1-NZ 2.75Å; D899-K902 PolarHBondContact OD1-NZ 3.11Å; M900-K902 PolarHBondContact O-N 3.03Å; K902-R906 WeakPolarHBondContact O-CD 3.03Å; K902-R906 VanDerWaalsContact O-CG 3.23Å; K902-R906 WeakPolarHBondContact O-CG 3.28Å; K902-R906 PolarHBondContact O-N 2.7Å |
| 903 | V | 94.4 | Very high | 94.6 | Very high | 68 Ų | 68 | 100.3 Ų | 100.3 | 41% | 0.412 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -73.6 | -44 | 177.9 | 170.2 | 0 | 0 | 0 | 0 | 111.6 | D899 M900 A905 R906 L907 | D899-V903 WeakPolarHBondContact O-CB 3.46Å; D899-V903 WeakPolarHBondContact O-CG2 3.07Å; D899-V903 PolarHBondContact O-N 3.27Å; M900-V903 PolarHBondContact O-N 2.94Å; V903-A905 PolarHBondContact O-N 2.82Å; V903-R906 PolarHBondContact O-N 3.3Å; V903-L907 HydrophobicContact CG1-CD1 4.04Å; V903-L907 HydrophobicContact CG1-CG 4.41Å; V903-L907 WeakPolarHBondContact O-CG 3.45Å; V903-L907 PolarHBondContact O-N 3.47Å |
| 904 | T | 95.7 | Very high | 94.8 | Very high | 61 Ų | 61 | 102 Ų | 102 | 37% | 0.374 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 177.1 | 51.6 | 0 | 0 | 0 | 0 | 112 | M900 S901 R906 L907 L908 | M900-T904 HydrophobicContact CG-CG2 4.5Å; M900-T904 WeakPolarHBondContact O-CG2 2.9Å; M900-T904 PolarHBondContact O-N 2.8Å; M900-T904 PolarHBondContact O-OG1 3.45Å; M900-T904 VanDerWaalsContact O-OG1 3.04Å; M900-T904 HydrophobicContact SD-CG2 4.35Å; S901-T904 WeakPolarHBondContact CA-OG1 3.38Å; S901-T904 PolarHBondContact O-OG1 3.48Å; T904-R906 PolarHBondContact O-N 2.93Å; T904-L907 PolarHBondContact O-N 2.86Å; T904-L908 WeakPolarHBondContact O-CG 3.41Å; T904-L908 PolarHBondContact O-N 3.4Å |
| 905 | A | 95 | Very high | 94.8 | Very high | 47 Ų | 47 | 100.8 Ų | 100.8 | 39% | 0.388 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.7 | -48.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S901 V903 L907 L908 D909 | S901-A905 WeakPolarHBondContact O-CB 3.46Å; S901-A905 PolarHBondContact O-N 3.43Å; S901-A905 VanDerWaalsContact O-N 3.15Å; V903-A905 PolarHBondContact O-N 2.82Å; A905-L907 VanDerWaalsContact C-N 3.3Å; A905-L907 PolarHBondContact O-N 3.4Å; A905-L908 PolarHBondContact O-N 3.41Å; A905-D909 PolarHBondContact O-N 2.86Å |
| 906 | R | 96.7 | Very high | 94.8 | Very high | 171 Ų | 171 | 96.9 Ų | 96.9 | 65% | 0.645 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63 | -32.7 | 176.6 | -72.8 | 169.1 | -179.2 | 179.4 | 1.7 | 113.4 | K902 V903 T904 K910 | K902-R906 WeakPolarHBondContact O-CD 3.03Å; K902-R906 VanDerWaalsContact O-CG 3.23Å; K902-R906 WeakPolarHBondContact O-CG 3.28Å; K902-R906 PolarHBondContact O-N 2.7Å; V903-R906 PolarHBondContact O-N 3.3Å; T904-R906 PolarHBondContact O-N 2.93Å; R906-K910 WeakPolarHBondContact O-CB 3.3Å; R906-K910 VanDerWaalsContact O-CG 3.24Å; R906-K910 WeakPolarHBondContact O-CG 3.33Å; R906-K910 PolarHBondContact O-N 2.9Å; R906-K910 VanDerWaalsContact O-N 3.12Å |
| 907 | L | 93.6 | Very high | 94.8 | Very high | 111 Ų | 111 | 97.4 Ų | 97.4 | 58% | 0.581 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.7 | -44.8 | 174.7 | -75.1 | 170.5 | 0 | 0 | 0 | 110.9 | V903 T904 A905 K910 E911 | V903-L907 HydrophobicContact CG1-CD1 4.04Å; V903-L907 HydrophobicContact CG1-CG 4.41Å; V903-L907 WeakPolarHBondContact O-CG 3.45Å; V903-L907 PolarHBondContact O-N 3.47Å; T904-L907 PolarHBondContact O-N 2.86Å; A905-L907 VanDerWaalsContact C-N 3.3Å; A905-L907 PolarHBondContact O-N 3.4Å; L907-K910 CarbonylContact O-C 3.6Å; L907-K910 PolarHBondContact O-N 2.91Å; L907-K910 VanDerWaalsContact O-N 3.15Å; L907-E911 WeakPolarHBondContact O-CB 3.25Å; L907-E911 PolarHBondContact O-N 3.36Å |
| 908 | L | 95.2 | Very high | 94.8 | Very high | 112 Ų | 112 | 93.4 Ų | 93.4 | 59% | 0.586 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63 | -41.1 | 175.3 | -68.3 | 169.9 | 0 | 0 | 0 | 112.1 | T904 A905 K910 E911 H912 | T904-L908 WeakPolarHBondContact O-CG 3.41Å; T904-L908 PolarHBondContact O-N 3.4Å; A905-L908 PolarHBondContact O-N 3.41Å; L908-K910 VanDerWaalsContact C-N 3.28Å; L908-K910 PolarHBondContact O-N 3.11Å; L908-E911 PolarHBondContact O-N 2.88Å; L908-H912 WeakPolarHBondContact O-CB 3.45Å; L908-H912 PolarHBondContact O-N 2.94Å |
| 909 | D | 95.1 | Very high | 94.7 | Very high | 96 Ų | 96 | 94.5 Ų | 94.5 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.3 | -40.6 | 172.5 | -76.1 | -28.2 | 0 | 0 | 0 | 111.9 | A905 Q913 | A905-D909 PolarHBondContact O-N 2.86Å; D909-Q913 WeakPolarHBondContact O-CB 3.37Å; D909-Q913 WeakPolarHBondContact O-CG 3.24Å; D909-Q913 PolarHBondContact O-N 3.4Å; D909-Q913 PolarHBondContact O-NE2 2.77Å |
| 910 | K | 93.9 | Very high | 94.7 | Very high | 125 Ų | 125 | 95.4 Ų | 95.4 | 54% | 0.543 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -77.7 | -36.4 | -179.1 | -72.5 | -71.9 | 165.4 | -164.6 | 0 | 112.7 | R906 L907 L908 Q913 V914 | R906-K910 WeakPolarHBondContact O-CB 3.3Å; R906-K910 VanDerWaalsContact O-CG 3.24Å; R906-K910 WeakPolarHBondContact O-CG 3.33Å; R906-K910 PolarHBondContact O-N 2.9Å; R906-K910 VanDerWaalsContact O-N 3.12Å; L907-K910 CarbonylContact O-C 3.6Å; L907-K910 PolarHBondContact O-N 2.91Å; L907-K910 VanDerWaalsContact O-N 3.15Å; L908-K910 VanDerWaalsContact C-N 3.28Å; L908-K910 PolarHBondContact O-N 3.11Å; K910-Q913 PolarHBondContact O-N 3.15Å; K910-V914 WeakPolarHBondContact O-CB 3.41Å; K910-V914 WeakPolarHBondContact O-CG2 3.21Å; K910-V914 PolarHBondContact O-N 2.84Å |
| 911 | E | 95.7 | Very high | 94.8 | Very high | 112 Ų | 112 | 94.2 Ų | 94.2 | 52% | 0.523 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 170.4 | -176.3 | 177.1 | 178.5 | 0 | 0 | 110.6 | L907 L908 Q913 V914 N915 | L907-E911 WeakPolarHBondContact O-CB 3.25Å; L907-E911 PolarHBondContact O-N 3.36Å; L908-E911 PolarHBondContact O-N 2.88Å; E911-Q913 PolarHBondContact O-N 2.85Å; E911-V914 PolarHBondContact O-N 3.24Å; E911-N915 WeakPolarHBondContact O-CB 3.43Å; E911-N915 VanDerWaalsContact O-CG 3.3Å; E911-N915 PolarHBondContact O-N 2.81Å; E911-N915 PolarHBondContact O-ND2 3.35Å |
| 912 | H | 95.4 | Very high | 94.7 | Very high | 127 Ų | 127 | 93.6 Ų | 93.6 | 59% | 0.588 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60 | -46.4 | 173.4 | -175.5 | 70.6 | 0 | 0 | 0 | 111.9 | L908 V914 N915 V916 | L908-H912 WeakPolarHBondContact O-CB 3.45Å; L908-H912 PolarHBondContact O-N 2.94Å; H912-V914 PolarHBondContact O-N 3.19Å; H912-N915 PolarHBondContact O-N 2.99Å; H912-V916 WeakPolarHBondContact O-CG2 3.34Å; H912-V916 PolarHBondContact O-N 3.15Å |
| 913 | Q | 96.1 | Very high | 94.6 | Very high | 82 Ų | 82 | 92.9 Ų | 92.9 | 38% | 0.383 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 175.1 | -74.4 | 160.2 | 45.8 | 0 | 0 | 112.5 | D909 K910 E911 V916 L917 | D909-Q913 WeakPolarHBondContact O-CB 3.37Å; D909-Q913 WeakPolarHBondContact O-CG 3.24Å; D909-Q913 PolarHBondContact O-N 3.4Å; D909-Q913 PolarHBondContact O-NE2 2.77Å; K910-Q913 PolarHBondContact O-N 3.15Å; E911-Q913 PolarHBondContact O-N 2.85Å; Q913-V916 PolarHBondContact O-N 3.49Å; Q913-L917 WeakPolarHBondContact O-CB 3.32Å; Q913-L917 VanDerWaalsContact O-CG 3.29Å; Q913-L917 WeakPolarHBondContact O-CG 3.49Å; Q913-L917 PolarHBondContact O-N 2.87Å |
| 914 | V | 94.1 | Very high | 94.4 | Very high | 84 Ų | 84 | 94.4 Ų | 94.4 | 51% | 0.509 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 175.8 | 167.2 | 0 | 0 | 0 | 0 | 111.2 | K910 E911 H912 L917 T918 | K910-V914 WeakPolarHBondContact O-CB 3.41Å; K910-V914 WeakPolarHBondContact O-CG2 3.21Å; K910-V914 PolarHBondContact O-N 2.84Å; E911-V914 PolarHBondContact O-N 3.24Å; H912-V914 PolarHBondContact O-N 3.19Å; V914-L917 PolarHBondContact O-N 3.3Å; V914-T918 VanDerWaalsContact O-CB 3.23Å; V914-T918 WeakPolarHBondContact O-CB 3.32Å; V914-T918 PolarHBondContact O-N 2.93Å; V914-T918 PolarHBondContact O-OG1 2.92Å |
| 915 | N | 94.5 | Very high | 94.2 | Very high | 78 Ų | 78 | 97.3 Ų | 97.3 | 42% | 0.417 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.3 | -40.8 | 177.3 | -75.3 | -33.3 | 0 | 0 | 0 | 112 | E911 H912 T918 N919 | E911-N915 WeakPolarHBondContact O-CB 3.43Å; E911-N915 VanDerWaalsContact O-CG 3.3Å; E911-N915 PolarHBondContact O-N 2.81Å; E911-N915 PolarHBondContact O-ND2 3.35Å; H912-N915 PolarHBondContact O-N 2.99Å; N915-T918 PolarHBondContact O-N 3.48Å; N915-N919 WeakPolarHBondContact O-CB 3.28Å; N915-N919 PolarHBondContact O-N 3.1Å; N915-N919 PolarHBondContact O-ND2 2.68Å |
| 916 | V | 95.1 | Very high | 94 | Very high | 57 Ų | 57 | 100.4 Ų | 100.4 | 35% | 0.345 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.8 | -52.7 | 172.5 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | H912 Q913 T918 N919 E920 | H912-V916 WeakPolarHBondContact O-CG2 3.34Å; H912-V916 PolarHBondContact O-N 3.15Å; Q913-V916 PolarHBondContact O-N 3.49Å; V916-T918 PolarHBondContact O-N 3.41Å; V916-N919 PolarHBondContact O-N 3.36Å; V916-N919 VanDerWaalsContact O-N 3.16Å; V916-E920 WeakPolarHBondContact O-CG 3.41Å; V916-E920 PolarHBondContact O-N 3.39Å |
| 917 | L | 94.4 | Very high | 93.8 | Very high | 107 Ų | 107 | 97.7 Ų | 97.7 | 56% | 0.56 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.2 | -31.2 | 178.2 | -70.2 | 170.4 | 0 | 0 | 0 | 112.7 | Q913 V914 L921 | Q913-L917 WeakPolarHBondContact O-CB 3.32Å; Q913-L917 VanDerWaalsContact O-CG 3.29Å; Q913-L917 WeakPolarHBondContact O-CG 3.49Å; Q913-L917 PolarHBondContact O-N 2.87Å; V914-L917 PolarHBondContact O-N 3.3Å; L917-L921 VanDerWaalsContact O-CB 3.23Å; L917-L921 WeakPolarHBondContact O-CB 3.2Å; L917-L921 PolarHBondContact O-N 2.95Å |
| 918 | T | 95 | Very high | 93.8 | Very high | 66 Ų | 66 | 96.6 Ų | 96.6 | 41% | 0.405 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.2 | -42.9 | 175.5 | -61 | 0 | 0 | 0 | 0 | 111.1 | V914 N915 V916 L921 T922 | V914-T918 VanDerWaalsContact O-CB 3.23Å; V914-T918 WeakPolarHBondContact O-CB 3.32Å; V914-T918 PolarHBondContact O-N 2.93Å; V914-T918 PolarHBondContact O-OG1 2.92Å; N915-T918 PolarHBondContact O-N 3.48Å; V916-T918 PolarHBondContact O-N 3.41Å; T918-L921 PolarHBondContact O-N 2.98Å; T918-T922 PolarHBondContact O-N 3.38Å; T918-T922 PolarHBondContact O-OG1 3.02Å |
| 919 | N | 93.9 | Very high | 93.5 | Very high | 108 Ų | 108 | 94.8 Ų | 94.8 | 58% | 0.578 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.3 | -41.3 | 175.1 | -69.5 | -23.9 | 0 | 0 | 0 | 111.8 | N915 V916 T922 L923 | N915-N919 WeakPolarHBondContact O-CB 3.28Å; N915-N919 PolarHBondContact O-N 3.1Å; N915-N919 PolarHBondContact O-ND2 2.68Å; V916-N919 PolarHBondContact O-N 3.36Å; V916-N919 VanDerWaalsContact O-N 3.16Å; N919-T922 WeakPolarHBondContact CA-OG1 3.28Å; N919-T922 PolarHBondContact O-N 2.85Å; N919-T922 PolarHBondContact O-OG1 2.98Å; N919-L923 PolarHBondContact O-N 2.92Å |
| 920 | E | 94.5 | Very high | 93.4 | Very high | 107 Ų | 107 | 96.1 Ų | 96.1 | 50% | 0.5 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 172 | -71.8 | 179.6 | 178.4 | 0 | 0 | 111.2 | V916 T922 L923 Q924 | V916-E920 WeakPolarHBondContact O-CG 3.41Å; V916-E920 PolarHBondContact O-N 3.39Å; E920-T922 PolarHBondContact O-N 3.11Å; E920-L923 PolarHBondContact O-N 3.38Å; E920-Q924 VanDerWaalsContact O-CG 3.26Å; E920-Q924 WeakPolarHBondContact O-CG 3.3Å; E920-Q924 PolarHBondContact O-N 3.26Å |
| 921 | L | 92.2 | Very high | 93.3 | Very high | 90 Ų | 90 | 94.9 Ų | 94.9 | 47% | 0.471 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.4 | -34.7 | 177.2 | -178.1 | 61.9 | 0 | 0 | 0 | 112.6 | L917 T918 K925 | L917-L921 VanDerWaalsContact O-CB 3.23Å; L917-L921 WeakPolarHBondContact O-CB 3.2Å; L917-L921 PolarHBondContact O-N 2.95Å; T918-L921 PolarHBondContact O-N 2.98Å; L921-K925 HydrophobicContact CG-CD 4.3Å; L921-K925 WeakPolarHBondContact O-CB 3.43Å; L921-K925 VanDerWaalsContact O-CG 3.23Å; L921-K925 WeakPolarHBondContact O-CG 3.42Å; L921-K925 PolarHBondContact O-N 3.49Å |
| 922 | T | 91.8 | Very high | 93.2 | Very high | 63 Ų | 63 | 92.7 Ų | 92.7 | 39% | 0.387 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.7 | -45.6 | 172.4 | 47.5 | 0 | 0 | 0 | 0 | 111.2 | T918 N919 E920 Q924 K925 E926 | T918-T922 PolarHBondContact O-N 3.38Å; T918-T922 PolarHBondContact O-OG1 3.02Å; N919-T922 WeakPolarHBondContact CA-OG1 3.28Å; N919-T922 PolarHBondContact O-N 2.85Å; N919-T922 PolarHBondContact O-OG1 2.98Å; E920-T922 PolarHBondContact O-N 3.11Å; T922-Q924 VanDerWaalsContact C-N 3.32Å; T922-Q924 PolarHBondContact O-N 3.28Å; T922-K925 WeakPolarHBondContact O-CB 3.49Å; T922-K925 PolarHBondContact O-N 3.49Å; T922-K925 VanDerWaalsContact O-N 3.12Å; T922-E926 WeakPolarHBondContact O-CG 3.47Å; T922-E926 PolarHBondContact O-N 3.11Å |
| 923 | L | 93.7 | Very high | 93 | Very high | 78 Ų | 78 | 92.7 Ų | 92.7 | 41% | 0.408 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.9 | -38.1 | 177.2 | -178.7 | 64.5 | 0 | 0 | 0 | 112.3 | N919 E920 E926 R927 | N919-L923 PolarHBondContact O-N 2.92Å; E920-L923 PolarHBondContact O-N 3.38Å; L923-E926 PolarHBondContact O-N 3.25Å; L923-R927 VanDerWaalsContact O-CG 3.29Å; L923-R927 WeakPolarHBondContact O-CG 3.41Å; L923-R927 PolarHBondContact O-N 2.93Å |
| 924 | Q | 91.4 | Very high | 92.9 | Very high | 100 Ų | 100 | 93.2 Ų | 93.2 | 47% | 0.467 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -72.3 | -34.2 | 175.1 | -62.6 | -71.1 | 27.5 | 0 | 0 | 112 | E920 T922 R927 V928 | E920-Q924 VanDerWaalsContact O-CG 3.26Å; E920-Q924 WeakPolarHBondContact O-CG 3.3Å; E920-Q924 PolarHBondContact O-N 3.26Å; T922-Q924 VanDerWaalsContact C-N 3.32Å; T922-Q924 PolarHBondContact O-N 3.28Å; Q924-R927 VanDerWaalsContact OE1-CD 3.27Å; Q924-V928 WeakPolarHBondContact O-CB 3.42Å; Q924-V928 VanDerWaalsContact O-CG2 3.26Å; Q924-V928 WeakPolarHBondContact O-CG2 3.32Å; Q924-V928 PolarHBondContact O-N 2.68Å |
| 925 | K | 92.1 | Very high | 92.8 | Very high | 122 Ų | 122 | 92.6 Ų | 92.6 | 53% | 0.53 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 171 | -77.8 | 166.9 | 179.5 | 171.1 | 0 | 111.5 | L921 T922 V928 T929 | L921-K925 HydrophobicContact CG-CD 4.3Å; L921-K925 WeakPolarHBondContact O-CB 3.43Å; L921-K925 VanDerWaalsContact O-CG 3.23Å; L921-K925 WeakPolarHBondContact O-CG 3.42Å; L921-K925 PolarHBondContact O-N 3.49Å; T922-K925 WeakPolarHBondContact O-CB 3.49Å; T922-K925 PolarHBondContact O-N 3.49Å; T922-K925 VanDerWaalsContact O-N 3.12Å; K925-V928 PolarHBondContact O-N 3.36Å; K925-T929 WeakPolarHBondContact O-CG2 3.38Å; K925-T929 PolarHBondContact O-N 2.86Å; K925-T929 PolarHBondContact O-OG1 3.39Å |
| 926 | E | 90.8 | Very high | 92.7 | Very high | 112 Ų | 112 | 91.6 Ų | 91.6 | 52% | 0.523 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57.5 | -54.7 | 174.7 | -72.9 | 171.1 | 162.8 | 0 | 0 | 110.4 | T922 L923 V928 T929 E930 | T922-E926 WeakPolarHBondContact O-CG 3.47Å; T922-E926 PolarHBondContact O-N 3.11Å; L923-E926 PolarHBondContact O-N 3.25Å; E926-V928 VanDerWaalsContact C-N 3.3Å; E926-V928 PolarHBondContact O-N 2.68Å; E926-T929 WeakPolarHBondContact CA-OG1 3.33Å; E926-T929 CarbonylContact O-C 3.57Å; E926-T929 WeakPolarHBondContact O-CA 3.44Å; E926-T929 PolarHBondContact O-N 3.5Å; E926-T929 PolarHBondContact O-OG1 3.45Å; E926-E930 WeakPolarHBondContact O-CG 3.41Å; E926-E930 PolarHBondContact O-N 3.18Å |
| 927 | R | 92.5 | Very high | 92.5 | Very high | 114 Ų | 114 | 91.9 Ų | 91.9 | 43% | 0.43 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -54.5 | -40.5 | 174.1 | -70.8 | 166.1 | 176.1 | -177.9 | -0.5 | 113.6 | L923 Q924 E930 L931 | L923-R927 VanDerWaalsContact O-CG 3.29Å; L923-R927 WeakPolarHBondContact O-CG 3.41Å; L923-R927 PolarHBondContact O-N 2.93Å; Q924-R927 VanDerWaalsContact OE1-CD 3.27Å; R927-E930 PolarHBondContact O-N 3.28Å; R927-L931 WeakPolarHBondContact O-CB 3.42Å; R927-L931 VanDerWaalsContact O-CG 3.27Å; R927-L931 WeakPolarHBondContact O-CG 3.45Å; R927-L931 PolarHBondContact O-N 3.01Å |
| 928 | V | 92.8 | Very high | 92.5 | Very high | 88 Ų | 88 | 90.5 Ų | 90.5 | 53% | 0.533 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.7 | -35.8 | 176.3 | 166.3 | 0 | 0 | 0 | 0 | 111.4 | Q924 K925 E926 S932 | Q924-V928 WeakPolarHBondContact O-CB 3.42Å; Q924-V928 VanDerWaalsContact O-CG2 3.26Å; Q924-V928 WeakPolarHBondContact O-CG2 3.32Å; Q924-V928 PolarHBondContact O-N 2.68Å; K925-V928 PolarHBondContact O-N 3.36Å; E926-V928 VanDerWaalsContact C-N 3.3Å; E926-V928 PolarHBondContact O-N 2.68Å; V928-S932 VanDerWaalsContact O-CB 3.23Å; V928-S932 WeakPolarHBondContact O-CB 3.37Å; V928-S932 PolarHBondContact O-N 3.37Å; V928-S932 PolarHBondContact O-OG 3.23Å |
| 929 | T | 89.3 | Confident | 92.5 | Very high | 75 Ų | 75 | 94.9 Ų | 94.9 | 46% | 0.46 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.7 | -39.9 | 172.9 | 56.6 | 0 | 0 | 0 | 0 | 112.8 | K925 E926 S932 Q933 | K925-T929 WeakPolarHBondContact O-CG2 3.38Å; K925-T929 PolarHBondContact O-N 2.86Å; K925-T929 PolarHBondContact O-OG1 3.39Å; E926-T929 WeakPolarHBondContact CA-OG1 3.33Å; E926-T929 CarbonylContact O-C 3.57Å; E926-T929 WeakPolarHBondContact O-CA 3.44Å; E926-T929 PolarHBondContact O-N 3.5Å; E926-T929 PolarHBondContact O-OG1 3.45Å; T929-S932 PolarHBondContact O-N 3.07Å; T929-Q933 VanDerWaalsContact O-CG 3.3Å; T929-Q933 WeakPolarHBondContact O-CG 3.15Å; T929-Q933 PolarHBondContact O-N 3.02Å |
| 930 | E | 91.5 | Very high | 92.3 | Very high | 123 Ų | 123 | 94.7 Ų | 94.7 | 58% | 0.575 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -59.8 | -49.1 | 171.7 | -70 | -179.9 | 152.1 | 0 | 0 | 111.5 | E926 R927 S932 Q933 L934 | E926-E930 WeakPolarHBondContact O-CG 3.41Å; E926-E930 PolarHBondContact O-N 3.18Å; R927-E930 PolarHBondContact O-N 3.28Å; E930-S932 VanDerWaalsContact C-N 3.32Å; E930-S932 PolarHBondContact O-N 3.23Å; E930-Q933 WeakPolarHBondContact O-CB 3.38Å; E930-Q933 PolarHBondContact O-N 3.24Å; E930-L934 WeakPolarHBondContact O-CB 3.36Å; E930-L934 PolarHBondContact O-N 2.88Å |
| 931 | L | 92.8 | Very high | 92.2 | Very high | 99 Ų | 99 | 97.9 Ų | 97.9 | 52% | 0.518 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.8 | -38 | 175.6 | -73 | 171 | 0 | 0 | 0 | 111.8 | R927 L934 I935 | R927-L931 WeakPolarHBondContact O-CB 3.42Å; R927-L931 VanDerWaalsContact O-CG 3.27Å; R927-L931 WeakPolarHBondContact O-CG 3.45Å; R927-L931 PolarHBondContact O-N 3.01Å; L931-L934 HydrophobicContact CD2-CD2 4.45Å; L931-L934 PolarHBondContact O-N 3.21Å; L931-I935 VanDerWaalsContact O-CB 3.31Å; L931-I935 WeakPolarHBondContact O-CB 3.46Å; L931-I935 WeakPolarHBondContact O-CD1 3.34Å; L931-I935 WeakPolarHBondContact O-CG1 3.33Å; L931-I935 PolarHBondContact O-N 3.3Å |
| 932 | S | 93.1 | Very high | 92.2 | Very high | 66 Ų | 66 | 98.9 Ų | 98.9 | 46% | 0.462 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 175 | -63.4 | 0 | 0 | 0 | 0 | 111.9 | V928 T929 E930 S936 | V928-S932 VanDerWaalsContact O-CB 3.23Å; V928-S932 WeakPolarHBondContact O-CB 3.37Å; V928-S932 PolarHBondContact O-N 3.37Å; V928-S932 PolarHBondContact O-OG 3.23Å; T929-S932 PolarHBondContact O-N 3.07Å; E930-S932 VanDerWaalsContact C-N 3.32Å; E930-S932 PolarHBondContact O-N 3.23Å; S932-S936 WeakPolarHBondContact O-CB 3.47Å; S932-S936 PolarHBondContact O-N 2.77Å |
| 933 | Q | 92.1 | Very high | 92.2 | Very high | 127 Ų | 127 | 104 Ų | 104 | 59% | 0.593 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.6 | -49.1 | 172.7 | -72.1 | 174.9 | 39.1 | 0 | 0 | 110.7 | T929 E930 I935 S936 T937 | T929-Q933 VanDerWaalsContact O-CG 3.3Å; T929-Q933 WeakPolarHBondContact O-CG 3.15Å; T929-Q933 PolarHBondContact O-N 3.02Å; E930-Q933 WeakPolarHBondContact O-CB 3.38Å; E930-Q933 PolarHBondContact O-N 3.24Å; Q933-I935 PolarHBondContact O-N 3.22Å; Q933-S936 WeakPolarHBondContact O-CA 3.38Å; Q933-S936 WeakPolarHBondContact O-CB 3.3Å; Q933-S936 PolarHBondContact O-N 3.14Å; Q933-S936 PolarHBondContact O-OG 2.84Å; Q933-T937 PolarHBondContact O-N 3.4Å |
| 934 | L | 93.8 | Very high | 92 | Very high | 94 Ų | 94 | 104.1 Ų | 104.1 | 49% | 0.492 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -53.7 | -52.4 | 175.3 | -171.8 | 81.9 | 0 | 0 | 0 | 111.1 | E930 L931 S936 T937 L938 | E930-L934 WeakPolarHBondContact O-CB 3.36Å; E930-L934 PolarHBondContact O-N 2.88Å; L931-L934 HydrophobicContact CD2-CD2 4.45Å; L931-L934 PolarHBondContact O-N 3.21Å; L934-S936 VanDerWaalsContact C-N 3.27Å; L934-S936 PolarHBondContact O-N 3.02Å; L934-T937 PolarHBondContact O-N 3.45Å; L934-T937 VanDerWaalsContact O-N 3.08Å; L934-T937 PolarHBondContact O-OG1 2.91Å; L934-L938 HydrophobicContact CD2-CD1 4.29Å; L934-L938 HydrophobicContact CG-CD1 4.06Å; L934-L938 WeakPolarHBondContact O-CG 3.35Å; L934-L938 PolarHBondContact O-N 3.41Å |
| 935 | I | 92 | Very high | 91.9 | Very high | 70 Ų | 70 | 101.8 Ų | 101.8 | 36% | 0.359 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.3 | -38.3 | 177.3 | -71.9 | 165.4 | 0 | 0 | 0 | 111.1 | L931 Q933 L938 R939 | L931-I935 VanDerWaalsContact O-CB 3.31Å; L931-I935 WeakPolarHBondContact O-CB 3.46Å; L931-I935 WeakPolarHBondContact O-CD1 3.34Å; L931-I935 WeakPolarHBondContact O-CG1 3.33Å; L931-I935 PolarHBondContact O-N 3.3Å; Q933-I935 PolarHBondContact O-N 3.22Å; I935-L938 PolarHBondContact O-N 2.98Å; I935-R939 HydrophobicContact CG2-CG 4.38Å; I935-R939 VanDerWaalsContact CG2-CZ 3.41Å; I935-R939 WeakPolarHBondContact O-CB 3.33Å; I935-R939 WeakPolarHBondContact O-CG 3.3Å; I935-R939 PolarHBondContact O-N 3.21Å |
| 936 | S | 91.8 | Very high | 91.8 | Very high | 58 Ų | 58 | 99.9 Ų | 99.9 | 41% | 0.406 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -43.1 | 175.1 | 84.6 | 0 | 0 | 0 | 0 | 112.3 | S932 Q933 L934 R939 M940 | S932-S936 WeakPolarHBondContact O-CB 3.47Å; S932-S936 PolarHBondContact O-N 2.77Å; Q933-S936 WeakPolarHBondContact O-CA 3.38Å; Q933-S936 WeakPolarHBondContact O-CB 3.3Å; Q933-S936 PolarHBondContact O-N 3.14Å; Q933-S936 PolarHBondContact O-OG 2.84Å; L934-S936 VanDerWaalsContact C-N 3.27Å; L934-S936 PolarHBondContact O-N 3.02Å; S936-R939 PolarHBondContact O-N 3.38Å; S936-M940 WeakPolarHBondContact O-CG 3.42Å; S936-M940 PolarHBondContact O-N 2.75Å |
| 937 | T | 92.1 | Very high | 91.9 | Very high | 63 Ų | 63 | 101.4 Ų | 101.4 | 39% | 0.387 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68 | -37.8 | 177 | 68.5 | 0 | 0 | 0 | 0 | 112 | Q933 L934 M940 R941 | Q933-T937 PolarHBondContact O-N 3.4Å; L934-T937 PolarHBondContact O-N 3.45Å; L934-T937 VanDerWaalsContact O-N 3.08Å; L934-T937 PolarHBondContact O-OG1 2.91Å; T937-M940 PolarHBondContact O-N 3.47Å; T937-R941 WeakPolarHBondContact O-CG 3.27Å; T937-R941 PolarHBondContact O-N 3.39Å |
| 938 | L | 93.3 | Very high | 91.7 | Very high | 77 Ų | 77 | 101.1 Ų | 101.1 | 40% | 0.403 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.5 | -43.2 | 175.3 | -69 | 173.5 | 0 | 0 | 0 | 111.2 | L934 I935 M940 R941 L942 | L934-L938 HydrophobicContact CD2-CD1 4.29Å; L934-L938 HydrophobicContact CG-CD1 4.06Å; L934-L938 WeakPolarHBondContact O-CG 3.35Å; L934-L938 PolarHBondContact O-N 3.41Å; I935-L938 PolarHBondContact O-N 2.98Å; L938-M940 VanDerWaalsContact C-N 3.28Å; L938-M940 PolarHBondContact O-N 2.82Å; L938-R941 PolarHBondContact O-N 2.99Å; L938-L942 WeakPolarHBondContact O-CB 3.5Å; L938-L942 WeakPolarHBondContact O-CG 3.32Å; L938-L942 PolarHBondContact O-N 2.95Å |
| 939 | R | 94.3 | Very high | 91.4 | Very high | 159 Ų | 159 | 101.4 Ų | 101.4 | 60% | 0.6 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.6 | -37.5 | 171.8 | -74.6 | 169.1 | 178.2 | 169.8 | 1.3 | 112 | I935 S936 R943 | I935-R939 HydrophobicContact CG2-CG 4.38Å; I935-R939 VanDerWaalsContact CG2-CZ 3.41Å; I935-R939 WeakPolarHBondContact O-CB 3.33Å; I935-R939 WeakPolarHBondContact O-CG 3.3Å; I935-R939 PolarHBondContact O-N 3.21Å; S936-R939 PolarHBondContact O-N 3.38Å; R939-R943 VanDerWaalsContact O-CG 3.28Å; R939-R943 WeakPolarHBondContact O-CG 3.37Å; R939-R943 PolarHBondContact O-N 3.48Å |
| 940 | M | 90.7 | Very high | 91.3 | Very high | 103 Ų | 103 | 103.4 Ų | 103.4 | 51% | 0.507 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.1 | -41.9 | 174.2 | -72.8 | -61.5 | -70.3 | 0 | 0 | 112.6 | S936 T937 L938 L942 R943 V944 | S936-M940 WeakPolarHBondContact O-CG 3.42Å; S936-M940 PolarHBondContact O-N 2.75Å; T937-M940 PolarHBondContact O-N 3.47Å; L938-M940 VanDerWaalsContact C-N 3.28Å; L938-M940 PolarHBondContact O-N 2.82Å; M940-L942 VanDerWaalsContact C-N 3.35Å; M940-L942 PolarHBondContact O-N 3.37Å; M940-R943 PolarHBondContact O-N 2.95Å; M940-R943 PolarHBondContact SD-NH1 3.5Å; M940-V944 WeakPolarHBondContact O-CG2 3.46Å; M940-V944 PolarHBondContact O-N 3.39Å |
| 941 | R | 92.6 | Very high | 91 | Very high | 175 Ų | 175 | 101.8 Ų | 101.8 | 66% | 0.66 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.8 | -42.3 | 173.5 | -74.3 | 175.1 | 178.9 | 174.1 | 1.3 | 111.7 | T937 L938 V944 A945 | T937-R941 WeakPolarHBondContact O-CG 3.27Å; T937-R941 PolarHBondContact O-N 3.39Å; L938-R941 PolarHBondContact O-N 2.99Å; R941-V944 PolarHBondContact O-N 2.93Å; R941-A945 WeakPolarHBondContact O-CB 3.46Å; R941-A945 PolarHBondContact O-N 3.07Å |
| 942 | L | 91.6 | Very high | 90.5 | Very high | 111 Ų | 111 | 103.9 Ų | 103.9 | 58% | 0.581 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.8 | -47.5 | 174.3 | -75 | 165.4 | 0 | 0 | 0 | 111.7 | L938 M940 V944 A945 D946 | L938-L942 WeakPolarHBondContact O-CB 3.5Å; L938-L942 WeakPolarHBondContact O-CG 3.32Å; L938-L942 PolarHBondContact O-N 2.95Å; M940-L942 VanDerWaalsContact C-N 3.35Å; M940-L942 PolarHBondContact O-N 3.37Å; L942-V944 PolarHBondContact O-N 3.4Å; L942-A945 PolarHBondContact O-N 2.85Å; L942-A945 VanDerWaalsContact O-N 3.14Å; L942-D946 WeakPolarHBondContact O-CB 3.2Å; L942-D946 PolarHBondContact O-N 3.34Å |
| 943 | R | 91.8 | Very high | 90.2 | Very high | 169 Ų | 169 | 106.4 Ų | 106.4 | 64% | 0.638 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -57.4 | -35 | 174.4 | -72.4 | 166 | 178.6 | 175.4 | -2.7 | 113.2 | R939 M940 K947 | R939-R943 VanDerWaalsContact O-CG 3.28Å; R939-R943 WeakPolarHBondContact O-CG 3.37Å; R939-R943 PolarHBondContact O-N 3.48Å; M940-R943 PolarHBondContact O-N 2.95Å; M940-R943 PolarHBondContact SD-NH1 3.5Å; R943-K947 PolarHBondContact O-N 3.02Å |
| 944 | V | 90.6 | Very high | 90 | Very high | 81 Ų | 81 | 103.3 Ų | 103.3 | 49% | 0.491 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -73.5 | -43.5 | 175.5 | 172 | 0 | 0 | 0 | 0 | 111.1 | M940 R941 L942 K947 L948 | M940-V944 WeakPolarHBondContact O-CG2 3.46Å; M940-V944 PolarHBondContact O-N 3.39Å; R941-V944 PolarHBondContact O-N 2.93Å; L942-V944 PolarHBondContact O-N 3.4Å; V944-K947 PolarHBondContact O-N 3.38Å; V944-K947 VanDerWaalsContact O-N 3.15Å; V944-L948 HydrophobicContact CG1-CD1 4Å; V944-L948 HydrophobicContact CG1-CG 4.41Å; V944-L948 WeakPolarHBondContact O-CG 3.34Å; V944-L948 PolarHBondContact O-N 3.07Å |
| 945 | A | 89.3 | Confident | 89.6 | Confident | 52 Ų | 52 | 101.8 Ų | 101.8 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R941 L942 K947 L948 E949 | R941-A945 WeakPolarHBondContact O-CB 3.46Å; R941-A945 PolarHBondContact O-N 3.07Å; L942-A945 PolarHBondContact O-N 2.85Å; L942-A945 VanDerWaalsContact O-N 3.14Å; A945-K947 VanDerWaalsContact C-N 3.26Å; A945-K947 PolarHBondContact O-N 3.19Å; A945-L948 PolarHBondContact O-N 2.94Å; A945-E949 WeakPolarHBondContact O-CB 3.34Å; A945-E949 PolarHBondContact O-N 2.94Å |
| 946 | D | 90.1 | Very high | 89.3 | Confident | 82 Ų | 82 | 108.3 Ų | 108.3 | 44% | 0.439 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -50.8 | -43.8 | 171 | -105.1 | 47.8 | 0 | 0 | 0 | 112.8 | L942 K950 | L942-D946 WeakPolarHBondContact O-CB 3.2Å; L942-D946 PolarHBondContact O-N 3.34Å; D946-K950 WeakPolarHBondContact O-CB 3.33Å; D946-K950 VanDerWaalsContact O-CD 3.22Å; D946-K950 WeakPolarHBondContact O-CD 3.47Å; D946-K950 WeakPolarHBondContact O-CG 3.34Å; D946-K950 PolarHBondContact O-N 2.82Å; D946-K950 VanDerWaalsContact O-N 3.09Å; D946-K950 IonicContact OD2-NZ 2.75Å; D946-K950 PolarHBondContact OD2-NZ 2.88Å |
| 947 | K | 91.7 | Very high | 88.9 | Confident | 144 Ų | 144 | 112.3 Ų | 112.3 | 63% | 0.626 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -71.5 | -42.9 | -179.9 | -171.7 | -179.3 | 178.8 | -175.2 | 0 | 111.1 | R943 V944 A945 K950 E951 | R943-K947 PolarHBondContact O-N 3.02Å; V944-K947 PolarHBondContact O-N 3.38Å; V944-K947 VanDerWaalsContact O-N 3.15Å; A945-K947 VanDerWaalsContact C-N 3.26Å; A945-K947 PolarHBondContact O-N 3.19Å; K947-K950 PolarHBondContact O-N 3.15Å; K947-E951 PolarHBondContact O-N 3.34Å |
| 948 | L | 88.3 | Confident | 88.6 | Confident | 107 Ų | 107 | 115.4 Ų | 115.4 | 56% | 0.56 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64 | -41.1 | 176 | -70.3 | 171.3 | 0 | 0 | 0 | 111.6 | V944 A945 E951 M952 | V944-L948 HydrophobicContact CG1-CD1 4Å; V944-L948 HydrophobicContact CG1-CG 4.41Å; V944-L948 WeakPolarHBondContact O-CG 3.34Å; V944-L948 PolarHBondContact O-N 3.07Å; A945-L948 PolarHBondContact O-N 2.94Å; L948-E951 PolarHBondContact O-N 3.01Å; L948-M952 WeakPolarHBondContact O-CB 3.43Å; L948-M952 WeakPolarHBondContact O-CG 3.46Å; L948-M952 PolarHBondContact O-N 3.05Å |
| 949 | E | 86.7 | Confident | 88 | Confident | 94 Ų | 94 | 117.8 Ų | 117.8 | 44% | 0.439 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.1 | -40 | 177.6 | -160.6 | -132.5 | -165.2 | 0 | 0 | 111.6 | A945 M952 K953 | A945-E949 WeakPolarHBondContact O-CB 3.34Å; A945-E949 PolarHBondContact O-N 2.94Å; E949-M952 PolarHBondContact O-N 2.82Å; E949-K953 WeakPolarHBondContact O-CB 3.34Å; E949-K953 WeakPolarHBondContact O-CG 3.38Å; E949-K953 PolarHBondContact O-N 3.27Å; E949-K953 WeakPolarHBondContact OE1-CE 3.31Å; E949-K953 IonicContact OE1-NZ 3.78Å; E949-K953 PolarHBondContact OE1-NZ 2.97Å; E949-K953 WeakPolarHBondContact OE2-CE 3.25Å; E949-K953 IonicContact OE2-NZ 2.7Å; E949-K953 PolarHBondContact OE2-NZ 3.15Å |
| 950 | K | 86.6 | Confident | 87.6 | Confident | 117 Ų | 117 | 114.7 Ų | 114.7 | 51% | 0.509 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 172.1 | -73.4 | 160.9 | -166.8 | 149.5 | 0 | 111.8 | D946 K947 K953 N954 | D946-K950 WeakPolarHBondContact O-CB 3.33Å; D946-K950 VanDerWaalsContact O-CD 3.22Å; D946-K950 WeakPolarHBondContact O-CD 3.47Å; D946-K950 WeakPolarHBondContact O-CG 3.34Å; D946-K950 PolarHBondContact O-N 2.82Å; D946-K950 VanDerWaalsContact O-N 3.09Å; D946-K950 IonicContact OD2-NZ 2.75Å; D946-K950 PolarHBondContact OD2-NZ 2.88Å; K947-K950 PolarHBondContact O-N 3.15Å; K950-K953 PolarHBondContact O-N 2.95Å; K950-N954 VanDerWaalsContact O-CB 3.27Å; K950-N954 WeakPolarHBondContact O-CB 3.43Å; K950-N954 PolarHBondContact O-N 3.08Å |
| 951 | E | 86 | Confident | 87.2 | Confident | 89 Ų | 89 | 114.2 Ų | 114.2 | 42% | 0.416 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.4 | -35.2 | 174.5 | -70 | -60.1 | 170.8 | 0 | 0 | 113.1 | K947 L948 N954 C955 R958 | K947-E951 PolarHBondContact O-N 3.34Å; L948-E951 PolarHBondContact O-N 3.01Å; E951-N954 WeakPolarHBondContact O-CB 3.29Å; E951-N954 PolarHBondContact O-N 3.27Å; E951-N954 PolarHBondContact OE2-ND2 2.87Å; E951-C955 WeakPolarHBondContact O-CB 3.47Å; E951-C955 PolarHBondContact O-N 3.17Å; E951-C955 PolarHBondContact O-SG 2.96Å; E951-R958 IonicContact OE2-NH2 3.77Å |
| 952 | M | 81.7 | Confident | 86.7 | Confident | 143 Ų | 143 | 108.9 Ų | 108.9 | 70% | 0.704 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.8 | -41.9 | 172.5 | -75.6 | -173.4 | 73.5 | 0 | 0 | 111.8 | L948 E949 C955 R956 | L948-M952 WeakPolarHBondContact O-CB 3.43Å; L948-M952 WeakPolarHBondContact O-CG 3.46Å; L948-M952 PolarHBondContact O-N 3.05Å; E949-M952 PolarHBondContact O-N 2.82Å; M952-C955 PolarHBondContact O-N 3.26Å; M952-R956 WeakPolarHBondContact O-CB 3.47Å; M952-R956 PolarHBondContact O-N 3.37Å |
| 953 | K | 86.9 | Confident | 86.2 | Confident | 120 Ų | 120 | 106 Ų | 106 | 52% | 0.522 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 172.9 | -75 | 169.2 | 177.5 | 169.1 | 0 | 111.3 | E949 K950 R956 Y957 | E949-K953 WeakPolarHBondContact O-CB 3.34Å; E949-K953 WeakPolarHBondContact O-CG 3.38Å; E949-K953 PolarHBondContact O-N 3.27Å; E949-K953 WeakPolarHBondContact OE1-CE 3.31Å; E949-K953 IonicContact OE1-NZ 3.78Å; E949-K953 PolarHBondContact OE1-NZ 2.97Å; E949-K953 WeakPolarHBondContact OE2-CE 3.25Å; E949-K953 IonicContact OE2-NZ 2.7Å; E949-K953 PolarHBondContact OE2-NZ 3.15Å; K950-K953 PolarHBondContact O-N 2.95Å; K953-R956 PolarHBondContact O-N 3.28Å; K953-Y957 WeakPolarHBondContact O-CB 3.49Å; K953-Y957 PolarHBondContact O-N 3.37Å |
| 954 | N | 87.8 | Confident | 85.6 | Confident | 62 Ų | 62 | 103.6 Ų | 103.6 | 33% | 0.332 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.9 | -46 | 174.5 | 179.8 | 14 | 0 | 0 | 0 | 112.3 | K950 E951 Y957 R958 | K950-N954 VanDerWaalsContact O-CB 3.27Å; K950-N954 WeakPolarHBondContact O-CB 3.43Å; K950-N954 PolarHBondContact O-N 3.08Å; E951-N954 WeakPolarHBondContact O-CB 3.29Å; E951-N954 PolarHBondContact O-N 3.27Å; E951-N954 PolarHBondContact OE2-ND2 2.87Å; N954-Y957 PolarHBondContact O-N 3.5Å; N954-R958 PolarHBondContact ND2-NH2 2.79Å; N954-R958 WeakPolarHBondContact O-CG 3.44Å; N954-R958 PolarHBondContact O-N 3.2Å; N954-R958 PolarHBondContact OD1-NE 2.94Å |
| 955 | C | 85 | Confident | 85.1 | Confident | 61 Ų | 61 | 101.7 Ų | 101.7 | 41% | 0.412 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.1 | -44 | 175.5 | -72.4 | 0 | 0 | 0 | 0 | 111.9 | E951 M952 Y957 R958 L959 | E951-C955 WeakPolarHBondContact O-CB 3.47Å; E951-C955 PolarHBondContact O-N 3.17Å; E951-C955 PolarHBondContact O-SG 2.96Å; M952-C955 PolarHBondContact O-N 3.26Å; C955-Y957 VanDerWaalsContact C-N 3.32Å; C955-Y957 PolarHBondContact O-N 3.28Å; C955-R958 PolarHBondContact O-N 3.34Å; C955-L959 WeakPolarHBondContact O-CB 3.44Å; C955-L959 PolarHBondContact O-N 3.28Å |
| 956 | R | 86.2 | Confident | 84.6 | Confident | 207 Ų | 207 | 105 Ų | 105 | 78% | 0.781 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.1 | -37.4 | 176.3 | -170.1 | 174.8 | -176.6 | 173.9 | 1.2 | 112.1 | M952 K953 L959 L960 | M952-R956 WeakPolarHBondContact O-CB 3.47Å; M952-R956 PolarHBondContact O-N 3.37Å; K953-R956 PolarHBondContact O-N 3.28Å; R956-L959 PolarHBondContact O-N 3.02Å; R956-L960 WeakPolarHBondContact O-CB 3.3Å; R956-L960 PolarHBondContact O-N 2.97Å |
| 957 | Y | 83 | Confident | 84.1 | Confident | 142 Ų | 142 | 105.8 Ų | 105.8 | 56% | 0.557 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.9 | -44.2 | 173.3 | -178.7 | -105.7 | 0 | 0 | 0 | 112.3 | K953 N954 C955 L959 L960 L961 | K953-Y957 WeakPolarHBondContact O-CB 3.49Å; K953-Y957 PolarHBondContact O-N 3.37Å; N954-Y957 PolarHBondContact O-N 3.5Å; C955-Y957 VanDerWaalsContact C-N 3.32Å; C955-Y957 PolarHBondContact O-N 3.28Å; Y957-L959 VanDerWaalsContact C-N 3.32Å; Y957-L959 PolarHBondContact O-N 2.91Å; Y957-L960 PolarHBondContact O-N 3.35Å; Y957-L961 HydrophobicContact CD1-CD1 4Å; Y957-L961 HydrophobicContact CE1-CD1 3.48Å; Y957-L961 VanDerWaalsContact CE1-CD1 3.48Å; Y957-L961 HydrophobicContact CE1-CG 4.16Å; Y957-L961 WeakPolarHBondContact O-CG 3.46Å; Y957-L961 PolarHBondContact O-N 3.03Å |
| 958 | R | 85.7 | Confident | 83.7 | Confident | 128 Ų | 128 | 103.2 Ų | 103.2 | 48% | 0.483 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.4 | -39.3 | 173.2 | -77.4 | -176.2 | -91.5 | 150.6 | -6.6 | 112.4 | E951 N954 C955 L961 A962 | E951-R958 IonicContact OE2-NH2 3.77Å; N954-R958 PolarHBondContact ND2-NH2 2.79Å; N954-R958 WeakPolarHBondContact O-CG 3.44Å; N954-R958 PolarHBondContact O-N 3.2Å; N954-R958 PolarHBondContact OD1-NE 2.94Å; C955-R958 PolarHBondContact O-N 3.34Å; R958-L961 PolarHBondContact O-N 3.17Å; R958-A962 PolarHBondContact O-N 3.04Å |
| 959 | L | 81.9 | Confident | 83.2 | Confident | 128 Ų | 128 | 100.9 Ų | 100.9 | 67% | 0.67 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -71.4 | -36.5 | 178.4 | -151 | 157 | 0 | 0 | 0 | 111.7 | C955 R956 Y957 A962 S963 | C955-L959 WeakPolarHBondContact O-CB 3.44Å; C955-L959 PolarHBondContact O-N 3.28Å; R956-L959 PolarHBondContact O-N 3.02Å; Y957-L959 VanDerWaalsContact C-N 3.32Å; Y957-L959 PolarHBondContact O-N 2.91Å; L959-A962 PolarHBondContact O-N 3.37Å; L959-S963 PolarHBondContact O-N 3.17Å |
| 960 | L | 84.7 | Confident | 83 | Confident | 94 Ų | 94 | 100 Ų | 100 | 49% | 0.492 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 170.5 | 179.6 | 63.5 | 0 | 0 | 0 | 112.4 | R956 Y957 A962 S963 K964 | R956-L960 WeakPolarHBondContact O-CB 3.3Å; R956-L960 PolarHBondContact O-N 2.97Å; Y957-L960 PolarHBondContact O-N 3.35Å; L960-A962 VanDerWaalsContact C-N 3.33Å; L960-S963 PolarHBondContact O-N 2.92Å; L960-K964 PolarHBondContact O-N 3.36Å |
| 961 | L | 83 | Confident | 82.8 | Confident | 93 Ų | 93 | 98.6 Ų | 98.6 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.6 | -38.8 | 173.1 | -74.8 | 176.7 | 0 | 0 | 0 | 111.8 | Y957 R958 G965 | Y957-L961 HydrophobicContact CD1-CD1 4Å; Y957-L961 HydrophobicContact CE1-CD1 3.48Å; Y957-L961 VanDerWaalsContact CE1-CD1 3.48Å; Y957-L961 HydrophobicContact CE1-CG 4.16Å; Y957-L961 WeakPolarHBondContact O-CG 3.46Å; Y957-L961 PolarHBondContact O-N 3.03Å; R958-L961 PolarHBondContact O-N 3.17Å; L961-G965 PolarHBondContact O-N 2.78Å |
| 962 | A | 81.5 | Confident | 82.6 | Confident | 63 Ų | 63 | 99 Ų | 99 | 52% | 0.521 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | R958 L959 L960 K964 G965 Q966 | R958-A962 PolarHBondContact O-N 3.04Å; L959-A962 PolarHBondContact O-N 3.37Å; L960-A962 VanDerWaalsContact C-N 3.33Å; A962-K964 PolarHBondContact O-N 2.96Å; A962-G965 PolarHBondContact O-N 3.26Å; A962-Q966 PolarHBondContact O-N 2.93Å |
| 963 | S | 81.8 | Confident | 82.8 | Confident | 51 Ų | 51 | 98 Ų | 98 | 36% | 0.357 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.3 | -50 | 174.9 | -169.6 | 0 | 0 | 0 | 0 | 111.7 | L959 L960 G965 Q966 E967 | L959-S963 PolarHBondContact O-N 3.17Å; L960-S963 PolarHBondContact O-N 2.92Å; S963-G965 VanDerWaalsContact C-N 3.31Å; S963-G965 PolarHBondContact O-N 2.87Å; S963-Q966 WeakPolarHBondContact O-CB 3.24Å; S963-Q966 PolarHBondContact O-N 3.25Å; S963-Q966 VanDerWaalsContact O-N 3.11Å; S963-E967 WeakPolarHBondContact O-CG 3.42Å; S963-E967 PolarHBondContact O-N 3.33Å; S963-E967 PolarHBondContact OG-OE1 3.1Å |
| 964 | K | 80.1 | Confident | 82.7 | Confident | 118 Ų | 118 | 97.4 Ų | 97.4 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65 | -34 | 176.6 | -71.9 | -164.1 | 170.3 | -162.6 | 0 | 113 | L960 A962 Q966 E967 V968 | L960-K964 PolarHBondContact O-N 3.36Å; A962-K964 PolarHBondContact O-N 2.96Å; K964-Q966 VanDerWaalsContact C-N 3.34Å; K964-E967 PolarHBondContact O-N 2.83Å; K964-V968 WeakPolarHBondContact O-CG2 3.49Å; K964-V968 PolarHBondContact O-N 3.03Å |
| 965 | G | 79.1 | Confident | 82.7 | Confident | 41 Ų | 41 | 103.9 Ų | 103.9 | 42% | 0.423 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L961 A962 S963 V968 A969 | L961-G965 PolarHBondContact O-N 2.78Å; A962-G965 PolarHBondContact O-N 3.26Å; S963-G965 VanDerWaalsContact C-N 3.31Å; S963-G965 PolarHBondContact O-N 2.87Å; G965-V968 PolarHBondContact O-N 3.44Å; G965-A969 WeakPolarHBondContact O-CB 3.49Å; G965-A969 PolarHBondContact O-N 3.39Å |
| 966 | Q | 79 | Confident | 82.8 | Confident | 120 Ų | 120 | 107.2 Ų | 107.2 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.5 | -42.7 | 174.4 | -175.9 | 178 | -29.4 | 0 | 0 | 112.1 | A962 S963 K964 V968 A969 E970 | A962-Q966 PolarHBondContact O-N 2.93Å; S963-Q966 WeakPolarHBondContact O-CB 3.24Å; S963-Q966 PolarHBondContact O-N 3.25Å; S963-Q966 VanDerWaalsContact O-N 3.11Å; K964-Q966 VanDerWaalsContact C-N 3.34Å; Q966-V968 VanDerWaalsContact C-N 3.31Å; Q966-V968 PolarHBondContact O-N 2.95Å; Q966-A969 PolarHBondContact O-N 3.12Å; Q966-A969 VanDerWaalsContact O-N 3.17Å; Q966-E970 HydrophobicContact CG-CG 4.37Å; Q966-E970 PolarHBondContact NE2-OE1 3.4Å; Q966-E970 WeakPolarHBondContact O-CB 3.42Å; Q966-E970 PolarHBondContact O-N 3.07Å |
| 967 | E | 79.9 | Confident | 82.9 | Confident | 100 Ų | 100 | 101.8 Ų | 101.8 | 47% | 0.467 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.1 | -41.8 | 174.8 | -70.6 | 158.2 | -144.6 | 0 | 0 | 111.8 | S963 K964 T971 | S963-E967 WeakPolarHBondContact O-CG 3.42Å; S963-E967 PolarHBondContact O-N 3.33Å; S963-E967 PolarHBondContact OG-OE1 3.1Å; K964-E967 PolarHBondContact O-N 2.83Å; E967-T971 WeakPolarHBondContact O-CB 3.3Å; E967-T971 WeakPolarHBondContact O-CG2 3.34Å; E967-T971 PolarHBondContact O-N 3.22Å; E967-T971 PolarHBondContact O-OG1 3.1Å |
| 968 | V | 82.4 | Confident | 83 | Confident | 89 Ų | 89 | 102.3 Ų | 102.3 | 54% | 0.539 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.4 | -42.6 | 174.5 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | K964 G965 Q966 T971 M972 | K964-V968 WeakPolarHBondContact O-CG2 3.49Å; K964-V968 PolarHBondContact O-N 3.03Å; G965-V968 PolarHBondContact O-N 3.44Å; Q966-V968 VanDerWaalsContact C-N 3.31Å; Q966-V968 PolarHBondContact O-N 2.95Å; V968-T971 WeakPolarHBondContact CA-OG1 3.4Å; V968-T971 PolarHBondContact O-N 3.09Å; V968-T971 PolarHBondContact O-OG1 2.81Å; V968-T971 VanDerWaalsContact O-OG1 3.12Å; V968-M972 WeakPolarHBondContact O-CB 3.44Å; V968-M972 PolarHBondContact O-N 3.47Å |
| 969 | A | 79 | Confident | 82.9 | Confident | 58 Ų | 58 | 101 Ų | 101 | 48% | 0.479 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G965 Q966 K973 | G965-A969 WeakPolarHBondContact O-CB 3.49Å; G965-A969 PolarHBondContact O-N 3.39Å; Q966-A969 PolarHBondContact O-N 3.12Å; Q966-A969 VanDerWaalsContact O-N 3.17Å; A969-K973 VanDerWaalsContact O-CB 3.29Å; A969-K973 WeakPolarHBondContact O-CB 3.42Å; A969-K973 PolarHBondContact O-N 3.23Å |
| 970 | E | 81.5 | Confident | 83 | Confident | 76 Ų | 76 | 99 Ų | 99 | 36% | 0.355 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70 | -40.5 | 176.7 | -80.3 | -169.5 | -143.2 | 0 | 0 | 112.8 | Q966 M972 K973 K974 | Q966-E970 HydrophobicContact CG-CG 4.37Å; Q966-E970 PolarHBondContact NE2-OE1 3.4Å; Q966-E970 WeakPolarHBondContact O-CB 3.42Å; Q966-E970 PolarHBondContact O-N 3.07Å; E970-M972 VanDerWaalsContact C-N 3.34Å; E970-K973 PolarHBondContact O-N 2.92Å; E970-K974 WeakPolarHBondContact O-CB 3.29Å; E970-K974 WeakPolarHBondContact O-CD 3.5Å; E970-K974 VanDerWaalsContact O-CG 3.24Å; E970-K974 WeakPolarHBondContact O-CG 3.41Å; E970-K974 PolarHBondContact O-N 3.17Å; E970-K974 IonicContact OE2-NZ 2.68Å; E970-K974 PolarHBondContact OE2-NZ 3.29Å |
| 971 | T | 82.8 | Confident | 83.1 | Confident | 87 Ų | 87 | 97.8 Ų | 97.8 | 53% | 0.534 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.3 | -34 | 176.1 | 48.5 | 0 | 0 | 0 | 0 | 111.8 | E967 V968 R975 | E967-T971 WeakPolarHBondContact O-CB 3.3Å; E967-T971 WeakPolarHBondContact O-CG2 3.34Å; E967-T971 PolarHBondContact O-N 3.22Å; E967-T971 PolarHBondContact O-OG1 3.1Å; V968-T971 WeakPolarHBondContact CA-OG1 3.4Å; V968-T971 PolarHBondContact O-N 3.09Å; V968-T971 PolarHBondContact O-OG1 2.81Å; V968-T971 VanDerWaalsContact O-OG1 3.12Å; T971-R975 PolarHBondContact O-N 2.83Å; T971-R975 VanDerWaalsContact O-N 3.09Å |
| 972 | M | 81.6 | Confident | 83.2 | Confident | 97 Ų | 97 | 99.6 Ų | 99.6 | 48% | 0.478 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.1 | -46.2 | 169.7 | -177.7 | 172.7 | -77.8 | 0 | 0 | 111.8 | V968 E970 K974 R975 Y976 | V968-M972 WeakPolarHBondContact O-CB 3.44Å; V968-M972 PolarHBondContact O-N 3.47Å; E970-M972 VanDerWaalsContact C-N 3.34Å; M972-K974 PolarHBondContact O-N 3.36Å; M972-R975 WeakPolarHBondContact O-CB 3.35Å; M972-R975 PolarHBondContact O-N 2.85Å; M972-R975 VanDerWaalsContact O-N 3.09Å; M972-Y976 HydrophobicContact CG-CD2 3.94Å; M972-Y976 HydrophobicContact CG-CE2 3.43Å; M972-Y976 VanDerWaalsContact CG-CE2 3.43Å; M972-Y976 WeakPolarHBondContact O-CD2 3.48Å; M972-Y976 PolarHBondContact O-N 3.03Å; M972-Y976 HydrophobicContact SD-CE2 4.04Å |
| 973 | K | 85.5 | Confident | 83.3 | Confident | 122 Ų | 122 | 101.7 Ų | 101.7 | 53% | 0.53 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -56.8 | -46.8 | 173.4 | -176.8 | 172.3 | -176.3 | -76.3 | 0 | 111.7 | A969 E970 R975 Y976 E977 | A969-K973 VanDerWaalsContact O-CB 3.29Å; A969-K973 WeakPolarHBondContact O-CB 3.42Å; A969-K973 PolarHBondContact O-N 3.23Å; E970-K973 PolarHBondContact O-N 2.92Å; K973-R975 VanDerWaalsContact C-N 3.26Å; K973-R975 PolarHBondContact O-N 3.22Å; K973-Y976 PolarHBondContact O-N 2.72Å; K973-E977 HydrophobicContact CG-CG 4.43Å; K973-E977 IonicContact NZ-OE1 2.68Å; K973-E977 PolarHBondContact NZ-OE1 2.9Å; K973-E977 WeakPolarHBondContact O-CB 3.28Å; K973-E977 VanDerWaalsContact O-CG 3.31Å; K973-E977 WeakPolarHBondContact O-CG 3.49Å; K973-E977 PolarHBondContact O-N 3.33Å |
| 974 | K | 86.3 | Confident | 83.5 | Confident | 109 Ų | 109 | 105.9 Ų | 105.9 | 47% | 0.474 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.6 | -24.1 | 176.8 | -73.6 | 160.5 | -179.6 | 152.8 | 0 | 113.5 | E970 M972 K978 | E970-K974 WeakPolarHBondContact O-CB 3.29Å; E970-K974 WeakPolarHBondContact O-CD 3.5Å; E970-K974 VanDerWaalsContact O-CG 3.24Å; E970-K974 WeakPolarHBondContact O-CG 3.41Å; E970-K974 PolarHBondContact O-N 3.17Å; E970-K974 IonicContact OE2-NZ 2.68Å; E970-K974 PolarHBondContact OE2-NZ 3.29Å; M972-K974 PolarHBondContact O-N 3.36Å; K974-K978 WeakPolarHBondContact O-CG 3.28Å; K974-K978 PolarHBondContact O-N 3Å |
| 975 | R | 87.4 | Confident | 83.9 | Confident | 198 Ų | 198 | 103.4 Ų | 103.4 | 75% | 0.747 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -71.9 | -53.8 | 168 | -78.3 | -174.7 | 175.6 | -157.6 | -0.8 | 110.9 | T971 M972 K973 E977 K978 E979 | T971-R975 PolarHBondContact O-N 2.83Å; T971-R975 VanDerWaalsContact O-N 3.09Å; M972-R975 WeakPolarHBondContact O-CB 3.35Å; M972-R975 PolarHBondContact O-N 2.85Å; M972-R975 VanDerWaalsContact O-N 3.09Å; K973-R975 VanDerWaalsContact C-N 3.26Å; K973-R975 PolarHBondContact O-N 3.22Å; R975-E977 VanDerWaalsContact C-N 3.26Å; R975-E977 PolarHBondContact O-N 3.02Å; R975-K978 PolarHBondContact O-N 2.92Å; R975-K978 VanDerWaalsContact O-N 3.08Å; R975-E979 WeakPolarHBondContact O-CB 3.39Å; R975-E979 PolarHBondContact O-N 3.37Å |
| 976 | Y | 86.7 | Confident | 84.1 | Confident | 131 Ų | 131 | 104.9 Ų | 104.9 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.9 | -33.6 | 179.6 | -66.6 | -49.4 | 0 | 0 | 0 | 112.9 | M972 K973 E979 N980 | M972-Y976 HydrophobicContact CG-CD2 3.94Å; M972-Y976 HydrophobicContact CG-CE2 3.43Å; M972-Y976 VanDerWaalsContact CG-CE2 3.43Å; M972-Y976 WeakPolarHBondContact O-CD2 3.48Å; M972-Y976 PolarHBondContact O-N 3.03Å; M972-Y976 HydrophobicContact SD-CE2 4.04Å; K973-Y976 PolarHBondContact O-N 2.72Å; Y976-E979 WeakPolarHBondContact CD1-OE2 3.21Å; Y976-E979 PolarHBondContact O-N 3.34Å; Y976-N980 WeakPolarHBondContact O-CB 3.4Å; Y976-N980 PolarHBondContact O-N 2.92Å; Y976-N980 PolarHBondContact O-ND2 3.01Å |
| 977 | E | 88.1 | Confident | 84.2 | Confident | 93 Ų | 93 | 105.7 Ų | 105.7 | 44% | 0.435 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 172.9 | -74.8 | 169.1 | 160.5 | 0 | 0 | 112.3 | K973 R975 E981 | K973-E977 HydrophobicContact CG-CG 4.43Å; K973-E977 IonicContact NZ-OE1 2.68Å; K973-E977 PolarHBondContact NZ-OE1 2.9Å; K973-E977 WeakPolarHBondContact O-CB 3.28Å; K973-E977 VanDerWaalsContact O-CG 3.31Å; K973-E977 WeakPolarHBondContact O-CG 3.49Å; K973-E977 PolarHBondContact O-N 3.33Å; R975-E977 VanDerWaalsContact C-N 3.26Å; R975-E977 PolarHBondContact O-N 3.02Å; E977-E981 PolarHBondContact O-N 3.4Å |
| 978 | K | 86.1 | Confident | 84.5 | Confident | 153 Ų | 153 | 106.8 Ų | 106.8 | 67% | 0.665 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.3 | -41.4 | 175.4 | -78.2 | -175.2 | 173.6 | -170.6 | 0 | 112.4 | K974 R975 E981 Q982 | K974-K978 WeakPolarHBondContact O-CG 3.28Å; K974-K978 PolarHBondContact O-N 3Å; R975-K978 PolarHBondContact O-N 2.92Å; R975-K978 VanDerWaalsContact O-N 3.08Å; K978-E981 PolarHBondContact O-N 3.23Å; K978-Q982 WeakPolarHBondContact O-CB 3.24Å; K978-Q982 VanDerWaalsContact O-CG 3.31Å; K978-Q982 WeakPolarHBondContact O-CG 3.37Å; K978-Q982 PolarHBondContact O-N 3.19Å |
| 979 | E | 83.8 | Confident | 84.7 | Confident | 100 Ų | 100 | 108.5 Ų | 108.5 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 177.4 | -171.9 | 167.9 | -151.2 | 0 | 0 | 111 | R975 Y976 Q982 L983 | R975-E979 WeakPolarHBondContact O-CB 3.39Å; R975-E979 PolarHBondContact O-N 3.37Å; Y976-E979 WeakPolarHBondContact CD1-OE2 3.21Å; Y976-E979 PolarHBondContact O-N 3.34Å; E979-Q982 PolarHBondContact O-N 2.99Å; E979-L983 VanDerWaalsContact O-CG 3.3Å; E979-L983 WeakPolarHBondContact O-CG 3.47Å; E979-L983 PolarHBondContact O-N 2.96Å |
| 980 | N | 82.8 | Confident | 85 | Confident | 86 Ų | 86 | 109.2 Ų | 109.2 | 46% | 0.46 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 173.6 | -86.8 | -90.6 | 0 | 0 | 0 | 113 | Y976 L983 R984 | Y976-N980 WeakPolarHBondContact O-CB 3.4Å; Y976-N980 PolarHBondContact O-N 2.92Å; Y976-N980 PolarHBondContact O-ND2 3.01Å; N980-L983 PolarHBondContact O-N 3Å; N980-R984 VanDerWaalsContact O-CG 3.28Å; N980-R984 WeakPolarHBondContact O-CG 3.34Å; N980-R984 PolarHBondContact O-N 2.95Å |
| 981 | E | 86.6 | Confident | 85.1 | Confident | 68 Ų | 68 | 110.7 Ų | 110.7 | 32% | 0.318 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -73.1 | -31.9 | 178.1 | -156.8 | 62.7 | -149.1 | 0 | 0 | 112.3 | E977 K978 R984 D985 R988 | E977-E981 PolarHBondContact O-N 3.4Å; K978-E981 PolarHBondContact O-N 3.23Å; E981-R984 PolarHBondContact O-N 2.91Å; E981-R984 WeakPolarHBondContact OE2-CD 3.47Å; E981-R984 IonicContact OE2-CZ 3.21Å; E981-R984 IonicContact OE2-NE 3.11Å; E981-R984 IonicContact OE2-NH1 3.52Å; E981-R984 PolarHBondContact OE2-NH1 3.41Å; E981-D985 WeakPolarHBondContact O-CB 3.34Å; E981-D985 PolarHBondContact O-N 3.34Å; E981-R988 IonicContact OE1-CZ 3.36Å; E981-R988 IonicContact OE1-NH1 2.73Å; E981-R988 PolarHBondContact OE1-NH1 2.9Å; E981-R988 IonicContact OE1-NH2 2.99Å; E981-R988 PolarHBondContact OE1-NH2 3.46Å |
| 982 | Q | 85.7 | Confident | 85.2 | Confident | 132 Ų | 132 | 111.1 Ų | 111.1 | 62% | 0.617 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.4 | -40.5 | 169.8 | -76.7 | 176.8 | -13.9 | 0 | 0 | 112.2 | K978 E979 S986 | K978-Q982 WeakPolarHBondContact O-CB 3.24Å; K978-Q982 VanDerWaalsContact O-CG 3.31Å; K978-Q982 WeakPolarHBondContact O-CG 3.37Å; K978-Q982 PolarHBondContact O-N 3.19Å; E979-Q982 PolarHBondContact O-N 2.99Å; Q982-S986 WeakPolarHBondContact O-CB 3.45Å; Q982-S986 PolarHBondContact O-N 3.24Å; Q982-S986 PolarHBondContact O-OG 3.43Å |
| 983 | L | 82.9 | Confident | 85.4 | Confident | 107 Ų | 107 | 115.6 Ų | 115.6 | 56% | 0.56 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.4 | -42.4 | 173.2 | -71.8 | 167.5 | 0 | 0 | 0 | 111.4 | E979 N980 S986 M987 | E979-L983 VanDerWaalsContact O-CG 3.3Å; E979-L983 WeakPolarHBondContact O-CG 3.47Å; E979-L983 PolarHBondContact O-N 2.96Å; N980-L983 PolarHBondContact O-N 3Å; L983-S986 PolarHBondContact O-N 3.28Å; L983-M987 WeakPolarHBondContact O-CB 3.37Å; L983-M987 WeakPolarHBondContact O-CG 3.34Å; L983-M987 PolarHBondContact O-N 2.9Å |
| 984 | R | 87.1 | Confident | 85.2 | Confident | 139 Ų | 139 | 113.3 Ų | 113.3 | 53% | 0.525 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 174.4 | -73.7 | 163.7 | 175 | 178.2 | -0 | 112.7 | N980 E981 S986 M987 R988 | N980-R984 VanDerWaalsContact O-CG 3.28Å; N980-R984 WeakPolarHBondContact O-CG 3.34Å; N980-R984 PolarHBondContact O-N 2.95Å; E981-R984 PolarHBondContact O-N 2.91Å; E981-R984 WeakPolarHBondContact OE2-CD 3.47Å; E981-R984 IonicContact OE2-CZ 3.21Å; E981-R984 IonicContact OE2-NE 3.11Å; E981-R984 IonicContact OE2-NH1 3.52Å; E981-R984 PolarHBondContact OE2-NH1 3.41Å; R984-S986 VanDerWaalsContact C-N 3.31Å; R984-S986 PolarHBondContact O-N 2.84Å; R984-M987 WeakPolarHBondContact O-CB 3.5Å; R984-M987 PolarHBondContact O-N 3.47Å; R984-R988 WeakPolarHBondContact O-CG 3.32Å; R984-R988 PolarHBondContact O-N 2.86Å |
| 985 | D | 86.8 | Confident | 84.9 | Confident | 65 Ų | 65 | 112.3 Ų | 112.3 | 35% | 0.348 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.9 | -33.7 | 176.6 | -95.1 | -2.2 | 0 | 0 | 0 | 112.5 | E981 R988 K989 | E981-D985 WeakPolarHBondContact O-CB 3.34Å; E981-D985 PolarHBondContact O-N 3.34Å; D985-R988 IonicContact OD1-CZ 3.74Å; D985-R988 IonicContact OD1-NH1 3.64Å; D985-R988 PolarHBondContact OD1-NH1 2.85Å; D985-K989 WeakPolarHBondContact O-CB 3.36Å; D985-K989 WeakPolarHBondContact O-CD 3.46Å; D985-K989 WeakPolarHBondContact O-CG 3.47Å; D985-K989 PolarHBondContact O-N 3.5Å |
| 986 | S | 84.9 | Confident | 84.7 | Confident | 72 Ų | 72 | 105.4 Ų | 105.4 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.7 | -41.2 | 173.8 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | Q982 L983 R984 K989 C990 | Q982-S986 WeakPolarHBondContact O-CB 3.45Å; Q982-S986 PolarHBondContact O-N 3.24Å; Q982-S986 PolarHBondContact O-OG 3.43Å; L983-S986 PolarHBondContact O-N 3.28Å; R984-S986 VanDerWaalsContact C-N 3.31Å; R984-S986 PolarHBondContact O-N 2.84Å; S986-K989 PolarHBondContact O-N 3.39Å; S986-C990 WeakPolarHBondContact O-CB 3.42Å; S986-C990 PolarHBondContact O-N 2.96Å |
| 987 | M | 79.8 | Confident | 84.3 | Confident | 137 Ų | 137 | 102 Ų | 102 | 68% | 0.675 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.3 | -50.3 | 170.6 | -78.9 | -70.3 | -68.8 | 0 | 0 | 112.2 | L983 R984 K989 C990 Q991 | L983-M987 WeakPolarHBondContact O-CB 3.37Å; L983-M987 WeakPolarHBondContact O-CG 3.34Å; L983-M987 PolarHBondContact O-N 2.9Å; R984-M987 WeakPolarHBondContact O-CB 3.5Å; R984-M987 PolarHBondContact O-N 3.47Å; M987-K989 VanDerWaalsContact C-N 3.33Å; M987-K989 PolarHBondContact O-N 3.31Å; M987-C990 WeakPolarHBondContact O-CB 3.3Å; M987-C990 PolarHBondContact O-N 3.28Å; M987-C990 VanDerWaalsContact O-N 3.09Å; M987-Q991 PolarHBondContact O-N 2.87Å |
| 988 | R | 87.1 | Confident | 84.1 | Confident | 124 Ų | 124 | 103.2 Ų | 103.2 | 47% | 0.468 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -54.9 | -46.9 | 175.7 | -71.2 | 171.2 | -173.4 | 133.4 | 3.3 | 111.4 | E981 R984 D985 C990 Q991 V992 | E981-R988 IonicContact OE1-CZ 3.36Å; E981-R988 IonicContact OE1-NH1 2.73Å; E981-R988 PolarHBondContact OE1-NH1 2.9Å; E981-R988 IonicContact OE1-NH2 2.99Å; E981-R988 PolarHBondContact OE1-NH2 3.46Å; R984-R988 WeakPolarHBondContact O-CG 3.32Å; R984-R988 PolarHBondContact O-N 2.86Å; D985-R988 IonicContact OD1-CZ 3.74Å; D985-R988 IonicContact OD1-NH1 3.64Å; D985-R988 PolarHBondContact OD1-NH1 2.85Å; R988-C990 VanDerWaalsContact C-N 3.32Å; R988-C990 PolarHBondContact O-N 2.97Å; R988-Q991 PolarHBondContact O-N 3.26Å; R988-V992 WeakPolarHBondContact O-CG2 3.25Å; R988-V992 PolarHBondContact O-N 2.67Å |
| 989 | K | 85.5 | Confident | 83.8 | Confident | 125 Ų | 125 | 102 Ų | 102 | 54% | 0.543 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.3 | -32.8 | 177.8 | -73.1 | 163.9 | -172.7 | 163.8 | 0 | 112.8 | D985 S986 M987 R993 | D985-K989 WeakPolarHBondContact O-CB 3.36Å; D985-K989 WeakPolarHBondContact O-CD 3.46Å; D985-K989 WeakPolarHBondContact O-CG 3.47Å; D985-K989 PolarHBondContact O-N 3.5Å; S986-K989 PolarHBondContact O-N 3.39Å; M987-K989 VanDerWaalsContact C-N 3.33Å; M987-K989 PolarHBondContact O-N 3.31Å; K989-R993 WeakPolarHBondContact O-CD 3.18Å; K989-R993 VanDerWaalsContact O-CG 3.26Å; K989-R993 WeakPolarHBondContact O-CG 3.47Å; K989-R993 PolarHBondContact O-N 2.72Å |
| 990 | C | 86.3 | Confident | 83.6 | Confident | 72 Ų | 72 | 100.4 Ų | 100.4 | 49% | 0.486 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.6 | -48.3 | 173.8 | -162.9 | 0 | 0 | 0 | 0 | 111 | S986 M987 R988 V992 R993 T994 | S986-C990 WeakPolarHBondContact O-CB 3.42Å; S986-C990 PolarHBondContact O-N 2.96Å; M987-C990 WeakPolarHBondContact O-CB 3.3Å; M987-C990 PolarHBondContact O-N 3.28Å; M987-C990 VanDerWaalsContact O-N 3.09Å; R988-C990 VanDerWaalsContact C-N 3.32Å; R988-C990 PolarHBondContact O-N 2.97Å; C990-V992 PolarHBondContact O-N 3.38Å; C990-R993 WeakPolarHBondContact O-CB 3.35Å; C990-R993 PolarHBondContact O-N 2.76Å; C990-R993 VanDerWaalsContact O-N 3.11Å; C990-T994 PolarHBondContact O-N 2.8Å |
| 991 | Q | 83.1 | Confident | 83.3 | Confident | 107 Ų | 107 | 98.3 Ų | 98.3 | 50% | 0.5 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.6 | -46.1 | -180 | -178.2 | 178.2 | -14.5 | 0 | 0 | 112.7 | M987 R988 R993 T994 E995 | M987-Q991 PolarHBondContact O-N 2.87Å; R988-Q991 PolarHBondContact O-N 3.26Å; Q991-R993 PolarHBondContact O-N 3.31Å; Q991-T994 WeakPolarHBondContact CA-OG1 3.28Å; Q991-T994 PolarHBondContact O-N 2.69Å; Q991-T994 VanDerWaalsContact O-N 3.15Å; Q991-T994 PolarHBondContact O-OG1 2.8Å; Q991-E995 HydrophobicContact CG-CG 4.44Å; Q991-E995 VanDerWaalsContact CG-OE1 3.26Å; Q991-E995 WeakPolarHBondContact CG-OE1 3.49Å; Q991-E995 PolarHBondContact NE2-OE1 3.29Å; Q991-E995 WeakPolarHBondContact O-CG 3.34Å; Q991-E995 PolarHBondContact O-N 2.77Å |
| 992 | V | 85.9 | Confident | 83 | Confident | 97 Ų | 97 | 97.7 Ų | 97.7 | 59% | 0.588 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.7 | -32.1 | 177.4 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | R988 C990 A996 | R988-V992 WeakPolarHBondContact O-CG2 3.25Å; R988-V992 PolarHBondContact O-N 2.67Å; C990-V992 PolarHBondContact O-N 3.38Å; V992-A996 WeakPolarHBondContact O-CB 3.3Å; V992-A996 PolarHBondContact O-N 3.39Å; V992-A996 VanDerWaalsContact O-N 3.08Å |
| 993 | R | 85.2 | Confident | 82.8 | Confident | 191 Ų | 191 | 96.9 Ų | 96.9 | 72% | 0.721 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -70.1 | -40.6 | 174.3 | -72.1 | 168.4 | 176.2 | 176.5 | -3.3 | 112.1 | K989 C990 Q991 A997 | K989-R993 WeakPolarHBondContact O-CD 3.18Å; K989-R993 VanDerWaalsContact O-CG 3.26Å; K989-R993 WeakPolarHBondContact O-CG 3.47Å; K989-R993 PolarHBondContact O-N 2.72Å; C990-R993 WeakPolarHBondContact O-CB 3.35Å; C990-R993 PolarHBondContact O-N 2.76Å; C990-R993 VanDerWaalsContact O-N 3.11Å; Q991-R993 PolarHBondContact O-N 3.31Å; R993-A997 WeakPolarHBondContact O-CB 3.29Å; R993-A997 PolarHBondContact O-N 3.2Å |
| 994 | T | 80.7 | Confident | 82.7 | Confident | 73 Ų | 73 | 95 Ų | 95 | 45% | 0.448 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.7 | -40.2 | 177.5 | 53.1 | 0 | 0 | 0 | 0 | 111.7 | C990 Q991 A996 A997 I998 | C990-T994 PolarHBondContact O-N 2.8Å; Q991-T994 WeakPolarHBondContact CA-OG1 3.28Å; Q991-T994 PolarHBondContact O-N 2.69Å; Q991-T994 VanDerWaalsContact O-N 3.15Å; Q991-T994 PolarHBondContact O-OG1 2.8Å; T994-A996 PolarHBondContact O-N 2.95Å; T994-A997 PolarHBondContact O-N 2.85Å; T994-I998 WeakPolarHBondContact O-CD1 3.45Å; T994-I998 VanDerWaalsContact O-CG1 3.27Å; T994-I998 WeakPolarHBondContact O-CG1 3.44Å; T994-I998 PolarHBondContact O-N 2.72Å |
| 995 | E | 81.2 | Confident | 82.5 | Confident | 88 Ų | 88 | 94.2 Ų | 94.2 | 41% | 0.411 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61 | -44 | 174.2 | -71.9 | 171.5 | -171.6 | 0 | 0 | 111.9 | Q991 I998 Q999 | Q991-E995 HydrophobicContact CG-CG 4.44Å; Q991-E995 VanDerWaalsContact CG-OE1 3.26Å; Q991-E995 WeakPolarHBondContact CG-OE1 3.49Å; Q991-E995 PolarHBondContact NE2-OE1 3.29Å; Q991-E995 WeakPolarHBondContact O-CG 3.34Å; Q991-E995 PolarHBondContact O-N 2.77Å; E995-I998 PolarHBondContact O-N 2.83Å; E995-Q999 WeakPolarHBondContact O-CG 3.07Å; E995-Q999 PolarHBondContact O-N 3.38Å |
| 996 | A | 81.8 | Confident | 82.2 | Confident | 54 Ų | 54 | 93.9 Ų | 93.9 | 45% | 0.446 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V992 T994 Q999 S1000 | V992-A996 WeakPolarHBondContact O-CB 3.3Å; V992-A996 PolarHBondContact O-N 3.39Å; V992-A996 VanDerWaalsContact O-N 3.08Å; T994-A996 PolarHBondContact O-N 2.95Å; A996-Q999 PolarHBondContact O-N 3.33Å; A996-S1000 WeakPolarHBondContact O-CB 3.47Å; A996-S1000 PolarHBondContact O-N 2.9Å |
| 997 | A | 79.4 | Confident | 82.1 | Confident | 59 Ų | 59 | 96.7 Ų | 96.7 | 49% | 0.488 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R993 T994 S1000 A1001 | R993-A997 WeakPolarHBondContact O-CB 3.29Å; R993-A997 PolarHBondContact O-N 3.2Å; T994-A997 PolarHBondContact O-N 2.85Å; A997-S1000 WeakPolarHBondContact O-CB 3.31Å; A997-S1000 PolarHBondContact O-N 2.91Å; A997-A1001 PolarHBondContact O-N 3.39Å |
| 998 | I | 82.7 | Confident | 82.1 | Confident | 118 Ų | 118 | 94.7 Ų | 94.7 | 61% | 0.605 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.5 | -44.8 | 176.1 | -69.1 | 162.1 | 0 | 0 | 0 | 110.9 | T994 E995 S1000 A1001 A1002 | T994-I998 WeakPolarHBondContact O-CD1 3.45Å; T994-I998 VanDerWaalsContact O-CG1 3.27Å; T994-I998 WeakPolarHBondContact O-CG1 3.44Å; T994-I998 PolarHBondContact O-N 2.72Å; E995-I998 PolarHBondContact O-N 2.83Å; I998-S1000 VanDerWaalsContact C-N 3.31Å; I998-S1000 PolarHBondContact O-N 3.49Å; I998-A1001 PolarHBondContact O-N 2.78Å; I998-A1002 PolarHBondContact O-N 3.28Å |
| 999 | Q | 80.5 | Confident | 81.9 | Confident | 127 Ų | 127 | 92.7 Ų | 92.7 | 59% | 0.593 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.9 | -36.4 | 175.9 | -69.6 | -179.3 | 20.7 | 0 | 0 | 112.4 | E995 A996 Q1003 | E995-Q999 WeakPolarHBondContact O-CG 3.07Å; E995-Q999 PolarHBondContact O-N 3.38Å; A996-Q999 PolarHBondContact O-N 3.33Å; Q999-Q1003 WeakPolarHBondContact O-CG 3.36Å; Q999-Q1003 PolarHBondContact O-N 2.73Å |
| 1000 | S | 80.4 | Confident | 81.8 | Confident | 68 Ų | 68 | 94.5 Ų | 94.5 | 48% | 0.476 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 174.6 | -168.7 | 0 | 0 | 0 | 0 | 111.9 | A996 A997 I998 Q1003 T1004 | A996-S1000 WeakPolarHBondContact O-CB 3.47Å; A996-S1000 PolarHBondContact O-N 2.9Å; A997-S1000 WeakPolarHBondContact O-CB 3.31Å; A997-S1000 PolarHBondContact O-N 2.91Å; I998-S1000 VanDerWaalsContact C-N 3.31Å; I998-S1000 PolarHBondContact O-N 3.49Å; S1000-Q1003 WeakPolarHBondContact O-CB 3.39Å; S1000-Q1003 PolarHBondContact O-N 3.33Å; S1000-T1004 PolarHBondContact O-N 3.32Å; S1000-T1004 PolarHBondContact O-OG1 2.88Å |
| 1001 | A | 75 | Confident | 81.5 | Confident | 42 Ų | 42 | 96.9 Ų | 96.9 | 35% | 0.347 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.3 | -47.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A997 I998 Q1003 T1004 E1005 | A997-A1001 PolarHBondContact O-N 3.39Å; I998-A1001 PolarHBondContact O-N 2.78Å; A1001-Q1003 PolarHBondContact O-N 3.19Å; A1001-T1004 PolarHBondContact O-N 3.23Å; A1001-T1004 PolarHBondContact O-OG1 3.35Å; A1001-E1005 WeakPolarHBondContact O-CG 3.36Å; A1001-E1005 PolarHBondContact O-N 2.85Å |
| 1002 | A | 80.5 | Confident | 81.6 | Confident | 55 Ų | 55 | 99.6 Ų | 99.6 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59 | -34.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I998 A1006 | I998-A1002 PolarHBondContact O-N 3.28Å; A1002-A1006 WeakPolarHBondContact O-CB 3.22Å; A1002-A1006 PolarHBondContact O-N 3.48Å; A1002-A1006 VanDerWaalsContact O-N 3.14Å |
| 1003 | Q | 82.1 | Confident | 81.4 | Confident | 114 Ų | 114 | 97.7 Ų | 97.7 | 53% | 0.533 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -73.1 | -32.5 | 174.7 | -72.8 | -175.8 | 33.8 | 0 | 0 | 113.8 | Q999 S1000 A1001 K1007 | Q999-Q1003 WeakPolarHBondContact O-CG 3.36Å; Q999-Q1003 PolarHBondContact O-N 2.73Å; S1000-Q1003 WeakPolarHBondContact O-CB 3.39Å; S1000-Q1003 PolarHBondContact O-N 3.33Å; A1001-Q1003 PolarHBondContact O-N 3.19Å; Q1003-K1007 VanDerWaalsContact O-CD 3.31Å; Q1003-K1007 WeakPolarHBondContact O-CD 3.39Å; Q1003-K1007 VanDerWaalsContact O-CG 3.23Å; Q1003-K1007 WeakPolarHBondContact O-CG 3.47Å; Q1003-K1007 PolarHBondContact O-N 3.45Å |
| 1004 | T | 81.6 | Confident | 81.3 | Confident | 68 Ų | 68 | 93.2 Ų | 93.2 | 42% | 0.417 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -76.3 | -39 | 175.9 | 55.1 | 0 | 0 | 0 | 0 | 111.4 | S1000 A1001 K1007 L1008 | S1000-T1004 PolarHBondContact O-N 3.32Å; S1000-T1004 PolarHBondContact O-OG1 2.88Å; A1001-T1004 PolarHBondContact O-N 3.23Å; A1001-T1004 PolarHBondContact O-OG1 3.35Å; T1004-K1007 WeakPolarHBondContact O-CB 3.1Å; T1004-K1007 PolarHBondContact O-N 3.21Å; T1004-L1008 WeakPolarHBondContact O-CG 3.48Å; T1004-L1008 PolarHBondContact O-N 2.92Å |
| 1005 | E | 81.5 | Confident | 81.2 | Confident | 122 Ų | 122 | 93.7 Ų | 93.7 | 57% | 0.57 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -57.8 | -48.6 | 172.2 | -71.9 | 174.6 | 170.2 | 0 | 0 | 111.7 | A1001 K1007 L1008 C1009 | A1001-E1005 WeakPolarHBondContact O-CG 3.36Å; A1001-E1005 PolarHBondContact O-N 2.85Å; E1005-K1007 VanDerWaalsContact C-N 3.28Å; E1005-K1007 PolarHBondContact O-N 3.39Å; E1005-L1008 PolarHBondContact O-N 2.86Å; E1005-L1008 VanDerWaalsContact O-N 3.1Å; E1005-C1009 PolarHBondContact O-N 3.39Å; E1005-C1009 PolarHBondContact O-SG 3.36Å; E1005-C1009 VanDerWaalsContact O-SG 3.42Å |
| 1006 | A | 80.5 | Confident | 81.2 | Confident | 58 Ų | 58 | 93.5 Ų | 93.5 | 48% | 0.479 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61 | -34.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A1002 K1010 | A1002-A1006 WeakPolarHBondContact O-CB 3.22Å; A1002-A1006 PolarHBondContact O-N 3.48Å; A1002-A1006 VanDerWaalsContact O-N 3.14Å; A1006-K1010 PolarHBondContact O-N 2.89Å |
| 1007 | K | 83.7 | Confident | 81.2 | Confident | 131 Ų | 131 | 97.9 Ų | 97.9 | 57% | 0.57 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -70.4 | -40.5 | 173.5 | -72 | 164.4 | -171.8 | 166.4 | 0 | 111.6 | Q1003 T1004 E1005 K1010 K1011 | Q1003-K1007 VanDerWaalsContact O-CD 3.31Å; Q1003-K1007 WeakPolarHBondContact O-CD 3.39Å; Q1003-K1007 VanDerWaalsContact O-CG 3.23Å; Q1003-K1007 WeakPolarHBondContact O-CG 3.47Å; Q1003-K1007 PolarHBondContact O-N 3.45Å; T1004-K1007 WeakPolarHBondContact O-CB 3.1Å; T1004-K1007 PolarHBondContact O-N 3.21Å; E1005-K1007 VanDerWaalsContact C-N 3.28Å; E1005-K1007 PolarHBondContact O-N 3.39Å; K1007-K1010 PolarHBondContact O-N 3.23Å; K1007-K1011 PolarHBondContact O-N 3Å |
| 1008 | L | 79.3 | Confident | 81.2 | Confident | 96 Ų | 96 | 100.5 Ų | 100.5 | 50% | 0.503 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.9 | -40.1 | 177.1 | -74.1 | 169.3 | 0 | 0 | 0 | 112.2 | T1004 E1005 K1010 K1011 R1012 | T1004-L1008 WeakPolarHBondContact O-CG 3.48Å; T1004-L1008 PolarHBondContact O-N 2.92Å; E1005-L1008 PolarHBondContact O-N 2.86Å; E1005-L1008 VanDerWaalsContact O-N 3.1Å; L1008-K1010 PolarHBondContact O-N 3.04Å; L1008-K1011 PolarHBondContact O-N 3.43Å; L1008-K1011 VanDerWaalsContact O-N 3.17Å; L1008-R1012 PolarHBondContact O-N 3.15Å |
| 1009 | C | 84 | Confident | 81 | Confident | 82 Ų | 82 | 100.4 Ų | 100.4 | 55% | 0.554 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60 | -45.7 | 173.9 | -69.7 | 0 | 0 | 0 | 0 | 111.9 | E1005 K1011 R1012 A1013 | E1005-C1009 PolarHBondContact O-N 3.39Å; E1005-C1009 PolarHBondContact O-SG 3.36Å; E1005-C1009 VanDerWaalsContact O-SG 3.42Å; C1009-K1011 VanDerWaalsContact C-N 3.29Å; C1009-K1011 PolarHBondContact O-N 3.4Å; C1009-R1012 PolarHBondContact O-N 2.88Å; C1009-A1013 PolarHBondContact O-N 3.36Å |
| 1010 | K | 81.8 | Confident | 81.1 | Confident | 162 Ų | 162 | 99.5 Ų | 99.5 | 70% | 0.704 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.6 | -34.6 | 174.3 | -72.2 | -174.3 | 177.5 | -173.9 | 0 | 112.8 | A1006 K1007 L1008 Q1014 | A1006-K1010 PolarHBondContact O-N 2.89Å; K1007-K1010 PolarHBondContact O-N 3.23Å; L1008-K1010 PolarHBondContact O-N 3.04Å; K1010-Q1014 WeakPolarHBondContact O-CG 3.39Å; K1010-Q1014 PolarHBondContact O-N 2.86Å |
| 1011 | K | 81.1 | Confident | 80.9 | Confident | 123 Ų | 123 | 98.7 Ų | 98.7 | 54% | 0.535 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -75.9 | -32.9 | 177.6 | -81 | -72.9 | 167 | -160.5 | 0 | 113.7 | K1007 L1008 C1009 Q1014 I1015 | K1007-K1011 PolarHBondContact O-N 3Å; L1008-K1011 PolarHBondContact O-N 3.43Å; L1008-K1011 VanDerWaalsContact O-N 3.17Å; C1009-K1011 VanDerWaalsContact C-N 3.29Å; C1009-K1011 PolarHBondContact O-N 3.4Å; K1011-Q1014 PolarHBondContact O-N 3.48Å; K1011-I1015 WeakPolarHBondContact O-CD1 3.49Å; K1011-I1015 VanDerWaalsContact O-CG1 3.3Å; K1011-I1015 WeakPolarHBondContact O-CG1 3.48Å; K1011-I1015 PolarHBondContact O-N 2.92Å; K1011-I1015 VanDerWaalsContact O-N 3.09Å |
| 1012 | R | 85.6 | Confident | 81 | Confident | 163 Ų | 163 | 101.3 Ų | 101.3 | 62% | 0.615 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62 | -51.5 | 172.2 | -78.6 | 176.6 | 170.7 | 149.2 | -1.9 | 111.3 | L1008 C1009 Q1014 I1015 D1016 | L1008-R1012 PolarHBondContact O-N 3.15Å; C1009-R1012 PolarHBondContact O-N 2.88Å; R1012-Q1014 VanDerWaalsContact C-N 3.26Å; R1012-Q1014 PolarHBondContact O-N 3.28Å; R1012-Q1014 VanDerWaalsContact O-N 3.17Å; R1012-I1015 CarbonylContact O-C 3.56Å; R1012-I1015 WeakPolarHBondContact O-CA 3.44Å; R1012-I1015 WeakPolarHBondContact O-CB 3.32Å; R1012-I1015 PolarHBondContact O-N 3.4Å; R1012-D1016 PolarHBondContact O-N 2.97Å; R1012-D1016 VanDerWaalsContact O-OD2 3.1Å |
| 1013 | A | 79.7 | Confident | 81 | Confident | 58 Ų | 58 | 101.7 Ų | 101.7 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -53.9 | -40.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | C1009 D1016 E1017 | C1009-A1013 PolarHBondContact O-N 3.36Å; A1013-D1016 PolarHBondContact O-N 3Å; A1013-E1017 WeakPolarHBondContact O-CB 3.2Å; A1013-E1017 PolarHBondContact O-N 3.34Å; A1013-E1017 VanDerWaalsContact O-N 3.08Å |
| 1014 | Q | 83.6 | Confident | 80.8 | Confident | 96 Ų | 96 | 100.5 Ų | 100.5 | 45% | 0.449 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.4 | -31 | 174.5 | -72.3 | -175 | -27 | 0 | 0 | 113.7 | K1010 K1011 R1012 L1018 | K1010-Q1014 WeakPolarHBondContact O-CG 3.39Å; K1010-Q1014 PolarHBondContact O-N 2.86Å; K1011-Q1014 PolarHBondContact O-N 3.48Å; R1012-Q1014 VanDerWaalsContact C-N 3.26Å; R1012-Q1014 PolarHBondContact O-N 3.28Å; R1012-Q1014 VanDerWaalsContact O-N 3.17Å; Q1014-L1018 WeakPolarHBondContact O-CB 3.46Å; Q1014-L1018 WeakPolarHBondContact O-CD1 3.34Å; Q1014-L1018 VanDerWaalsContact O-CG 3.25Å; Q1014-L1018 WeakPolarHBondContact O-CG 3.32Å; Q1014-L1018 PolarHBondContact O-N 2.67Å |
| 1015 | I | 79.5 | Confident | 80.6 | Confident | 84 Ų | 84 | 102 Ų | 102 | 43% | 0.431 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -73.3 | -43.5 | 174.9 | -70.8 | 163.2 | 0 | 0 | 0 | 110.1 | K1011 R1012 E1017 L1018 Q1019 | K1011-I1015 WeakPolarHBondContact O-CD1 3.49Å; K1011-I1015 VanDerWaalsContact O-CG1 3.3Å; K1011-I1015 WeakPolarHBondContact O-CG1 3.48Å; K1011-I1015 PolarHBondContact O-N 2.92Å; K1011-I1015 VanDerWaalsContact O-N 3.09Å; R1012-I1015 CarbonylContact O-C 3.56Å; R1012-I1015 WeakPolarHBondContact O-CA 3.44Å; R1012-I1015 WeakPolarHBondContact O-CB 3.32Å; R1012-I1015 PolarHBondContact O-N 3.4Å; I1015-E1017 VanDerWaalsContact C-N 3.33Å; I1015-E1017 PolarHBondContact O-N 2.93Å; I1015-L1018 PolarHBondContact O-N 2.69Å; I1015-Q1019 HydrophobicContact CG2-CG 4.21Å; I1015-Q1019 WeakPolarHBondContact O-CB 3.42Å; I1015-Q1019 VanDerWaalsContact O-CG 3.31Å; I1015-Q1019 WeakPolarHBondContact O-CG 3.4Å; I1015-Q1019 PolarHBondContact O-N 2.87Å |
| 1016 | D | 80 | Confident | 80.7 | Confident | 83 Ų | 83 | 105.6 Ų | 105.6 | 44% | 0.444 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63 | -41 | -179.5 | -53.3 | -34.2 | 0 | 0 | 0 | 111 | R1012 A1013 Q1019 N1020 | R1012-D1016 PolarHBondContact O-N 2.97Å; R1012-D1016 VanDerWaalsContact O-OD2 3.1Å; A1013-D1016 PolarHBondContact O-N 3Å; D1016-Q1019 PolarHBondContact O-N 3.09Å; D1016-N1020 PolarHBondContact O-N 2.91Å; D1016-N1020 PolarHBondContact O-ND2 3.37Å; D1016-N1020 VanDerWaalsContact O-ND2 3.15Å |
| 1017 | E | 82.1 | Confident | 80.5 | Confident | 146 Ų | 146 | 105.7 Ų | 105.7 | 68% | 0.682 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64 | -43 | 174.8 | -168.7 | 167.9 | -135.1 | 0 | 0 | 112.3 | A1013 I1015 N1020 A1021 | A1013-E1017 WeakPolarHBondContact O-CB 3.2Å; A1013-E1017 PolarHBondContact O-N 3.34Å; A1013-E1017 VanDerWaalsContact O-N 3.08Å; I1015-E1017 VanDerWaalsContact C-N 3.33Å; I1015-E1017 PolarHBondContact O-N 2.93Å; E1017-N1020 PolarHBondContact O-N 2.99Å; E1017-A1021 PolarHBondContact O-N 3.04Å; E1017-A1021 VanDerWaalsContact O-N 3.1Å |
| 1018 | L | 79.7 | Confident | 80.3 | Confident | 114 Ų | 114 | 104.1 Ų | 104.1 | 60% | 0.597 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.7 | -35.8 | 173.8 | -74.4 | 170.5 | 0 | 0 | 0 | 113 | Q1014 I1015 A1021 L1022 | Q1014-L1018 WeakPolarHBondContact O-CB 3.46Å; Q1014-L1018 WeakPolarHBondContact O-CD1 3.34Å; Q1014-L1018 VanDerWaalsContact O-CG 3.25Å; Q1014-L1018 WeakPolarHBondContact O-CG 3.32Å; Q1014-L1018 PolarHBondContact O-N 2.67Å; I1015-L1018 PolarHBondContact O-N 2.69Å; L1018-A1021 PolarHBondContact O-N 3.33Å; L1018-L1022 WeakPolarHBondContact O-CB 3.31Å; L1018-L1022 WeakPolarHBondContact O-CG 3.37Å; L1018-L1022 PolarHBondContact O-N 3.41Å |
| 1019 | Q | 79.7 | Confident | 80.3 | Confident | 117 Ų | 117 | 104.2 Ų | 104.2 | 55% | 0.547 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67 | -39.9 | 176.2 | -77.5 | -177.9 | 8.4 | 0 | 0 | 111.5 | I1015 D1016 L1022 S1023 | I1015-Q1019 HydrophobicContact CG2-CG 4.21Å; I1015-Q1019 WeakPolarHBondContact O-CB 3.42Å; I1015-Q1019 VanDerWaalsContact O-CG 3.31Å; I1015-Q1019 WeakPolarHBondContact O-CG 3.4Å; I1015-Q1019 PolarHBondContact O-N 2.87Å; D1016-Q1019 PolarHBondContact O-N 3.09Å; Q1019-L1022 PolarHBondContact O-N 2.97Å; Q1019-S1023 WeakPolarHBondContact O-CB 3.48Å; Q1019-S1023 PolarHBondContact O-N 2.91Å |
| 1020 | N | 80.9 | Confident | 80 | Confident | 107 Ų | 107 | 105 Ų | 105 | 57% | 0.572 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.4 | -44.5 | 173.1 | -73.8 | -36.4 | 0 | 0 | 0 | 111.8 | D1016 E1017 L1022 S1023 T1024 | D1016-N1020 PolarHBondContact O-N 2.91Å; D1016-N1020 PolarHBondContact O-ND2 3.37Å; D1016-N1020 VanDerWaalsContact O-ND2 3.15Å; E1017-N1020 PolarHBondContact O-N 2.99Å; N1020-L1022 PolarHBondContact O-N 2.9Å; N1020-S1023 PolarHBondContact O-N 3.46Å; N1020-S1023 PolarHBondContact O-OG 3.04Å; N1020-T1024 PolarHBondContact O-N 2.77Å; N1020-T1024 VanDerWaalsContact O-N 3.09Å; N1020-T1024 PolarHBondContact O-OG1 3.05Å |
| 1021 | A | 77 | Confident | 79.9 | Confident | 52 Ų | 52 | 102.9 Ų | 102.9 | 43% | 0.43 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.1 | -45.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1017 L1018 S1023 T1024 M1025 | E1017-A1021 PolarHBondContact O-N 3.04Å; E1017-A1021 VanDerWaalsContact O-N 3.1Å; L1018-A1021 PolarHBondContact O-N 3.33Å; A1021-S1023 VanDerWaalsContact C-N 3.34Å; A1021-S1023 PolarHBondContact O-N 3.47Å; A1021-T1024 PolarHBondContact O-N 2.83Å; A1021-T1024 PolarHBondContact O-OG1 2.87Å; A1021-M1025 PolarHBondContact O-N 3.32Å |
| 1022 | L | 77.6 | Confident | 79.7 | Confident | 96 Ų | 96 | 102 Ų | 102 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.5 | -33.3 | 176.3 | -76.9 | 168.4 | 0 | 0 | 0 | 113.2 | L1018 Q1019 N1020 R1026 | L1018-L1022 WeakPolarHBondContact O-CB 3.31Å; L1018-L1022 WeakPolarHBondContact O-CG 3.37Å; L1018-L1022 PolarHBondContact O-N 3.41Å; Q1019-L1022 PolarHBondContact O-N 2.97Å; N1020-L1022 PolarHBondContact O-N 2.9Å; L1022-R1026 WeakPolarHBondContact O-CB 3.26Å; L1022-R1026 WeakPolarHBondContact O-CG 3.3Å; L1022-R1026 PolarHBondContact O-N 2.99Å |
| 1023 | S | 80.7 | Confident | 79.2 | Confident | 63 Ų | 63 | 97.4 Ų | 97.4 | 44% | 0.441 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.2 | -41.7 | 176.3 | 76 | 0 | 0 | 0 | 0 | 111.5 | Q1019 N1020 A1021 M1025 R1026 S1027 | Q1019-S1023 WeakPolarHBondContact O-CB 3.48Å; Q1019-S1023 PolarHBondContact O-N 2.91Å; N1020-S1023 PolarHBondContact O-N 3.46Å; N1020-S1023 PolarHBondContact O-OG 3.04Å; A1021-S1023 VanDerWaalsContact C-N 3.34Å; A1021-S1023 PolarHBondContact O-N 3.47Å; S1023-M1025 PolarHBondContact O-N 2.9Å; S1023-R1026 PolarHBondContact O-N 3.29Å; S1023-S1027 PolarHBondContact O-N 3.49Å |
| 1024 | T | 77.8 | Confident | 79.2 | Confident | 90 Ų | 90 | 99 Ų | 99 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.3 | -39.6 | 174.5 | 59.5 | 0 | 0 | 0 | 0 | 112.7 | N1020 A1021 S1027 L1028 | N1020-T1024 PolarHBondContact O-N 2.77Å; N1020-T1024 VanDerWaalsContact O-N 3.09Å; N1020-T1024 PolarHBondContact O-OG1 3.05Å; A1021-T1024 PolarHBondContact O-N 2.83Å; A1021-T1024 PolarHBondContact O-OG1 2.87Å; T1024-S1027 PolarHBondContact O-N 2.89Å; T1024-L1028 PolarHBondContact O-N 3.32Å; T1024-L1028 VanDerWaalsContact O-N 3.16Å |
| 1025 | M | 77.8 | Confident | 78.7 | Confident | 99 Ų | 99 | 97 Ų | 97 | 49% | 0.488 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67 | -37.9 | 175.6 | -166.8 | -160.6 | -60.5 | 0 | 0 | 111.6 | A1021 S1023 L1028 H1029 | A1021-M1025 PolarHBondContact O-N 3.32Å; S1023-M1025 PolarHBondContact O-N 2.9Å; M1025-L1028 PolarHBondContact O-N 3.43Å; M1025-H1029 PolarHBondContact O-CD2 2.86Å; M1025-H1029 PolarHBondContact O-N 2.95Å |
| 1026 | R | 82.1 | Confident | 78.6 | Confident | 198 Ų | 198 | 97.8 Ų | 97.8 | 75% | 0.747 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.4 | -42.8 | 174.7 | -82.5 | -178 | 176.8 | -171 | 0 | 112.6 | L1022 S1023 H1029 Q1030 | L1022-R1026 WeakPolarHBondContact O-CB 3.26Å; L1022-R1026 WeakPolarHBondContact O-CG 3.3Å; L1022-R1026 PolarHBondContact O-N 2.99Å; S1023-R1026 PolarHBondContact O-N 3.29Å; R1026-H1029 PolarHBondContact O-N 3.16Å; R1026-Q1030 VanDerWaalsContact O-CB 3.23Å; R1026-Q1030 WeakPolarHBondContact O-CB 3.15Å; R1026-Q1030 PolarHBondContact O-N 3.49Å |
| 1027 | S | 76.7 | Confident | 78.5 | Confident | 60 Ų | 60 | 97.7 Ų | 97.7 | 42% | 0.42 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.9 | -49.1 | 175.4 | 134.1 | 0 | 0 | 0 | 0 | 110.9 | S1023 T1024 H1029 Q1030 E1031 | S1023-S1027 PolarHBondContact O-N 3.49Å; T1024-S1027 PolarHBondContact O-N 2.89Å; S1027-H1029 VanDerWaalsContact C-N 3.34Å; S1027-H1029 PolarHBondContact O-N 2.84Å; S1027-Q1030 PolarHBondContact O-N 3.11Å; S1027-Q1030 VanDerWaalsContact O-N 3.16Å; S1027-E1031 WeakPolarHBondContact O-CG 3.46Å; S1027-E1031 PolarHBondContact O-N 3.13Å; S1027-E1031 PolarHBondContact OG-OE1 2.96Å |
| 1028 | L | 79.9 | Confident | 78.4 | Confident | 97 Ų | 97 | 96.9 Ų | 96.9 | 51% | 0.508 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59 | -40.4 | 178.3 | -105.5 | 164.4 | 0 | 0 | 0 | 113.3 | T1024 M1025 Q1032 | T1024-L1028 PolarHBondContact O-N 3.32Å; T1024-L1028 VanDerWaalsContact O-N 3.16Å; M1025-L1028 PolarHBondContact O-N 3.43Å; L1028-Q1032 VanDerWaalsContact O-CD 3.3Å; L1028-Q1032 WeakPolarHBondContact O-CG 3.5Å; L1028-Q1032 PolarHBondContact O-N 3.47Å |
| 1029 | H | 79.2 | Confident | 78.3 | Confident | 98 Ų | 98 | 99.5 Ų | 99.5 | 45% | 0.454 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -76.2 | -32.4 | 175.9 | -72.4 | -34.1 | 0 | 0 | 0 | 113.3 | M1025 R1026 S1027 Q1032 V1033 | M1025-H1029 PolarHBondContact O-CD2 2.86Å; M1025-H1029 PolarHBondContact O-N 2.95Å; R1026-H1029 PolarHBondContact O-N 3.16Å; S1027-H1029 VanDerWaalsContact C-N 3.34Å; S1027-H1029 PolarHBondContact O-N 2.84Å; H1029-Q1032 PolarHBondContact ND1-OE1 3.06Å; H1029-Q1032 PolarHBondContact O-N 2.82Å; H1029-V1033 WeakPolarHBondContact O-CB 3.27Å; H1029-V1033 WeakPolarHBondContact O-CG2 3.44Å; H1029-V1033 PolarHBondContact O-N 3.31Å |
| 1030 | Q | 78.3 | Confident | 78.3 | Confident | 100 Ų | 100 | 100.6 Ų | 100.6 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.7 | -46.2 | 175 | -175.9 | 64 | 25.7 | 0 | 0 | 110.8 | R1026 S1027 Q1032 V1033 E1034 | R1026-Q1030 VanDerWaalsContact O-CB 3.23Å; R1026-Q1030 WeakPolarHBondContact O-CB 3.15Å; R1026-Q1030 PolarHBondContact O-N 3.49Å; S1027-Q1030 PolarHBondContact O-N 3.11Å; S1027-Q1030 VanDerWaalsContact O-N 3.16Å; Q1030-Q1032 VanDerWaalsContact C-N 3.3Å; Q1030-Q1032 PolarHBondContact O-N 3.2Å; Q1030-V1033 PolarHBondContact O-N 2.76Å; Q1030-E1034 WeakPolarHBondContact CG-OE1 3.29Å; Q1030-E1034 PolarHBondContact NE2-OE1 3.34Å; Q1030-E1034 WeakPolarHBondContact O-CB 3.38Å; Q1030-E1034 WeakPolarHBondContact O-CG 3.35Å; Q1030-E1034 PolarHBondContact O-N 3.33Å |
| 1031 | E | 78 | Confident | 78.2 | Confident | 117 Ų | 117 | 101.1 Ų | 101.1 | 55% | 0.547 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.6 | -38.4 | 175.4 | -70.9 | 167.5 | -149.9 | 0 | 0 | 112.1 | S1027 A1035 | S1027-E1031 WeakPolarHBondContact O-CG 3.46Å; S1027-E1031 PolarHBondContact O-N 3.13Å; S1027-E1031 PolarHBondContact OG-OE1 2.96Å; E1031-A1035 WeakPolarHBondContact O-CB 3.21Å; E1031-A1035 PolarHBondContact O-N 3.46Å; E1031-A1035 VanDerWaalsContact O-N 3.08Å |
| 1032 | Q | 76.8 | Confident | 77.9 | Confident | 103 Ų | 103 | 101.4 Ų | 101.4 | 48% | 0.481 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 174.3 | -72.4 | 166 | 4 | 0 | 0 | 112.5 | L1028 H1029 Q1030 V1036 | L1028-Q1032 VanDerWaalsContact O-CD 3.3Å; L1028-Q1032 WeakPolarHBondContact O-CG 3.5Å; L1028-Q1032 PolarHBondContact O-N 3.47Å; H1029-Q1032 PolarHBondContact ND1-OE1 3.06Å; H1029-Q1032 PolarHBondContact O-N 2.82Å; Q1030-Q1032 VanDerWaalsContact C-N 3.3Å; Q1030-Q1032 PolarHBondContact O-N 3.2Å; Q1032-V1036 WeakPolarHBondContact O-CG2 3.48Å; Q1032-V1036 PolarHBondContact O-N 3.29Å |
| 1033 | V | 76.8 | Confident | 77.9 | Confident | 68 Ų | 68 | 102 Ų | 102 | 41% | 0.412 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.2 | -44.7 | 176.2 | 168.4 | 0 | 0 | 0 | 0 | 110.6 | H1029 Q1030 A1035 V1036 E1037 | H1029-V1033 WeakPolarHBondContact O-CB 3.27Å; H1029-V1033 WeakPolarHBondContact O-CG2 3.44Å; H1029-V1033 PolarHBondContact O-N 3.31Å; Q1030-V1033 PolarHBondContact O-N 2.76Å; V1033-A1035 VanDerWaalsContact C-N 3.32Å; V1033-A1035 PolarHBondContact O-N 3.36Å; V1033-V1036 CarbonylContact O-C 3.59Å; V1033-V1036 PolarHBondContact O-N 2.9Å; V1033-E1037 HydrophobicContact CG1-CG 4.15Å; V1033-E1037 WeakPolarHBondContact O-CB 3.37Å; V1033-E1037 PolarHBondContact O-N 3.4Å |
| 1034 | E | 79 | Confident | 77.6 | Confident | 92 Ų | 92 | 102 Ų | 102 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -37.1 | 178.4 | -74.1 | 176.8 | -166.1 | 0 | 0 | 112.3 | Q1030 V1036 E1037 M1038 | Q1030-E1034 WeakPolarHBondContact CG-OE1 3.29Å; Q1030-E1034 PolarHBondContact NE2-OE1 3.34Å; Q1030-E1034 WeakPolarHBondContact O-CB 3.38Å; Q1030-E1034 WeakPolarHBondContact O-CG 3.35Å; Q1030-E1034 PolarHBondContact O-N 3.33Å; E1034-V1036 VanDerWaalsContact C-N 3.32Å; E1034-V1036 PolarHBondContact O-N 2.98Å; E1034-E1037 PolarHBondContact O-N 2.91Å; E1034-M1038 WeakPolarHBondContact O-CB 3.03Å; E1034-M1038 WeakPolarHBondContact O-CG 3.33Å; E1034-M1038 PolarHBondContact O-N 3.13Å |
| 1035 | A | 73 | Confident | 77.6 | Confident | 54 Ų | 54 | 101.9 Ų | 101.9 | 45% | 0.446 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -33.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E1031 V1033 | E1031-A1035 WeakPolarHBondContact O-CB 3.21Å; E1031-A1035 PolarHBondContact O-N 3.46Å; E1031-A1035 VanDerWaalsContact O-N 3.08Å; V1033-A1035 VanDerWaalsContact C-N 3.32Å; V1033-A1035 PolarHBondContact O-N 3.36Å |
| 1036 | V | 78.2 | Confident | 77.3 | Confident | 99 Ų | 99 | 101 Ų | 101 | 60% | 0.6 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -80.3 | -39.7 | 175 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | Q1032 V1033 E1034 M1038 K1039 Y1040 | Q1032-V1036 WeakPolarHBondContact O-CG2 3.48Å; Q1032-V1036 PolarHBondContact O-N 3.29Å; V1033-V1036 CarbonylContact O-C 3.59Å; V1033-V1036 PolarHBondContact O-N 2.9Å; E1034-V1036 VanDerWaalsContact C-N 3.32Å; E1034-V1036 PolarHBondContact O-N 2.98Å; V1036-M1038 VanDerWaalsContact C-N 3.34Å; V1036-M1038 PolarHBondContact O-N 3.12Å; V1036-K1039 WeakPolarHBondContact O-CB 3.43Å; V1036-K1039 PolarHBondContact O-N 2.87Å; V1036-K1039 VanDerWaalsContact O-N 3.17Å; V1036-Y1040 PolarHBondContact O-N 2.97Å |
| 1037 | E | 76.7 | Confident | 77 | Confident | 81 Ų | 81 | 93.4 Ų | 93.4 | 38% | 0.379 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.2 | -37.5 | 174.7 | -80.7 | -162.9 | -170 | 0 | 0 | 112.1 | V1033 E1034 K1039 Y1040 K1041 | V1033-E1037 HydrophobicContact CG1-CG 4.15Å; V1033-E1037 WeakPolarHBondContact O-CB 3.37Å; V1033-E1037 PolarHBondContact O-N 3.4Å; E1034-E1037 PolarHBondContact O-N 2.91Å; E1037-K1039 VanDerWaalsContact C-N 3.31Å; E1037-K1039 PolarHBondContact O-N 2.83Å; E1037-Y1040 PolarHBondContact O-N 3.36Å; E1037-K1041 HydrophobicContact CB-CD 4.5Å; E1037-K1041 VanDerWaalsContact O-CB 3.28Å; E1037-K1041 WeakPolarHBondContact O-CB 3.32Å; E1037-K1041 VanDerWaalsContact O-CG 3.24Å; E1037-K1041 WeakPolarHBondContact O-CG 3Å; E1037-K1041 PolarHBondContact O-N 3.31Å; E1037-K1041 VanDerWaalsContact OE2-CE 3.29Å; E1037-K1041 WeakPolarHBondContact OE2-CE 3.46Å; E1037-K1041 IonicContact OE2-NZ 2.6Å; E1037-K1041 PolarHBondContact OE2-NZ 2.71Å |
| 1038 | M | 80.3 | Confident | 76.9 | Confident | 130 Ų | 130 | 93.4 Ų | 93.4 | 64% | 0.64 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.2 | -38.9 | 173.6 | -78.9 | -169.9 | -77 | 0 | 0 | 111.7 | E1034 V1036 A1042 | E1034-M1038 WeakPolarHBondContact O-CB 3.03Å; E1034-M1038 WeakPolarHBondContact O-CG 3.33Å; E1034-M1038 PolarHBondContact O-N 3.13Å; V1036-M1038 VanDerWaalsContact C-N 3.34Å; V1036-M1038 PolarHBondContact O-N 3.12Å; M1038-A1042 VanDerWaalsContact O-CB 3.3Å; M1038-A1042 WeakPolarHBondContact O-CB 3.47Å; M1038-A1042 PolarHBondContact O-N 2.9Å; M1038-A1042 VanDerWaalsContact O-N 3.1Å |
| 1039 | K | 77.6 | Confident | 76.7 | Confident | 168 Ų | 168 | 98.6 Ų | 98.6 | 73% | 0.73 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.4 | -43.2 | 170.9 | -80.3 | -178.3 | 172.5 | 178.4 | 0 | 112.3 | V1036 E1037 L1043 | V1036-K1039 WeakPolarHBondContact O-CB 3.43Å; V1036-K1039 PolarHBondContact O-N 2.87Å; V1036-K1039 VanDerWaalsContact O-N 3.17Å; E1037-K1039 VanDerWaalsContact C-N 3.31Å; E1037-K1039 PolarHBondContact O-N 2.83Å; K1039-L1043 PolarHBondContact O-N 3.44Å |
| 1040 | Y | 80.1 | Confident | 76.4 | Confident | 141 Ų | 141 | 99.4 Ų | 99.4 | 55% | 0.553 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -69.6 | -41.8 | -179.5 | -179 | -106.2 | 0 | 0 | 0 | 112.8 | V1036 E1037 A1042 L1043 M1044 | V1036-Y1040 PolarHBondContact O-N 2.97Å; E1037-Y1040 PolarHBondContact O-N 3.36Å; Y1040-A1042 VanDerWaalsContact C-N 3.33Å; Y1040-A1042 PolarHBondContact O-N 2.82Å; Y1040-L1043 PolarHBondContact O-N 2.79Å; Y1040-L1043 VanDerWaalsContact O-N 3.1Å; Y1040-M1044 HydrophobicContact CD1-CG 4.15Å; Y1040-M1044 HydrophobicContact CD2-CG 4.32Å; Y1040-M1044 HydrophobicContact CE1-CG 3.56Å; Y1040-M1044 HydrophobicContact CE2-CG 3.75Å; Y1040-M1044 HydrophobicContact CE2-SD 4.17Å; Y1040-M1044 PolarHBondContact O-N 3.34Å; Y1040-M1044 WeakPolarHBondContact OH-CG 3.42Å; Y1040-M1044 PolarHBondContact OH-SD 3Å |
| 1041 | K | 78.8 | Confident | 76 | Confident | 117 Ų | 117 | 100 Ų | 100 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.1 | -38.3 | 175.3 | -72 | 165.6 | -176.1 | 165.4 | 0 | 111.4 | E1037 T1045 | E1037-K1041 HydrophobicContact CB-CD 4.5Å; E1037-K1041 VanDerWaalsContact O-CB 3.28Å; E1037-K1041 WeakPolarHBondContact O-CB 3.32Å; E1037-K1041 VanDerWaalsContact O-CG 3.24Å; E1037-K1041 WeakPolarHBondContact O-CG 3Å; E1037-K1041 PolarHBondContact O-N 3.31Å; E1037-K1041 VanDerWaalsContact OE2-CE 3.29Å; E1037-K1041 WeakPolarHBondContact OE2-CE 3.46Å; E1037-K1041 IonicContact OE2-NZ 2.6Å; E1037-K1041 PolarHBondContact OE2-NZ 2.71Å; K1041-T1045 PolarHBondContact O-N 3.23Å; K1041-T1045 VanDerWaalsContact O-N 3.09Å; K1041-T1045 PolarHBondContact O-OG1 3.49Å |
| 1042 | A | 70.5 | Confident | 75.7 | Confident | 59 Ų | 59 | 98.4 Ų | 98.4 | 49% | 0.488 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.7 | -34.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | M1038 Y1040 T1045 | M1038-A1042 VanDerWaalsContact O-CB 3.3Å; M1038-A1042 WeakPolarHBondContact O-CB 3.47Å; M1038-A1042 PolarHBondContact O-N 2.9Å; M1038-A1042 VanDerWaalsContact O-N 3.1Å; Y1040-A1042 VanDerWaalsContact C-N 3.33Å; Y1040-A1042 PolarHBondContact O-N 2.82Å; A1042-T1045 PolarHBondContact O-OG1 3.44Å |
| 1043 | L | 78.5 | Confident | 75.5 | Confident | 109 Ų | 109 | 99.4 Ų | 99.4 | 57% | 0.571 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -74.6 | -46 | 175.6 | -167.5 | 70.4 | 0 | 0 | 0 | 111.9 | K1039 Y1040 T1045 V1046 C1047 | K1039-L1043 PolarHBondContact O-N 3.44Å; Y1040-L1043 PolarHBondContact O-N 2.79Å; Y1040-L1043 VanDerWaalsContact O-N 3.1Å; L1043-T1045 VanDerWaalsContact C-N 3.33Å; L1043-T1045 PolarHBondContact O-N 2.98Å; L1043-V1046 WeakPolarHBondContact O-CB 3.32Å; L1043-V1046 PolarHBondContact O-N 3.15Å; L1043-C1047 PolarHBondContact O-N 2.65Å; L1043-C1047 VanDerWaalsContact O-N 3.12Å |
| 1044 | M | 74.1 | Confident | 75 | Confident | 61 Ų | 61 | 100.6 Ų | 100.6 | 30% | 0.3 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65 | -33.6 | 179.9 | -80.3 | -55.6 | -52.9 | 0 | 0 | 113.2 | Y1040 V1046 C1047 T1048 | Y1040-M1044 HydrophobicContact CD1-CG 4.15Å; Y1040-M1044 HydrophobicContact CD2-CG 4.32Å; Y1040-M1044 HydrophobicContact CE1-CG 3.56Å; Y1040-M1044 HydrophobicContact CE2-CG 3.75Å; Y1040-M1044 HydrophobicContact CE2-SD 4.17Å; Y1040-M1044 PolarHBondContact O-N 3.34Å; Y1040-M1044 WeakPolarHBondContact OH-CG 3.42Å; Y1040-M1044 PolarHBondContact OH-SD 3Å; M1044-V1046 PolarHBondContact O-N 3.46Å; M1044-C1047 HydrophobicContact CE-CB 4.36Å; M1044-C1047 PolarHBondContact O-N 2.62Å; M1044-C1047 VanDerWaalsContact O-N 3.15Å; M1044-C1047 HydrophobicContact SD-CB 4.42Å; M1044-T1048 HydrophobicContact CE-CG2 4.02Å; M1044-T1048 PolarHBondContact O-N 3.09Å; M1044-T1048 PolarHBondContact O-OG1 3.24Å |
| 1045 | T | 76.6 | Confident | 74.2 | Confident | 89 Ų | 89 | 102 Ų | 102 | 55% | 0.546 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70 | -14.1 | 173.8 | 43.3 | 0 | 0 | 0 | 0 | 113.7 | K1041 A1042 L1043 R1049 | K1041-T1045 PolarHBondContact O-N 3.23Å; K1041-T1045 VanDerWaalsContact O-N 3.09Å; K1041-T1045 PolarHBondContact O-OG1 3.49Å; A1042-T1045 PolarHBondContact O-OG1 3.44Å; L1043-T1045 VanDerWaalsContact C-N 3.33Å; L1043-T1045 PolarHBondContact O-N 2.98Å; T1045-R1049 WeakPolarHBondContact O-CB 3.46Å |
| 1046 | V | 73.1 | Confident | 73.8 | Confident | 79 Ų | 79 | 104.6 Ų | 104.6 | 48% | 0.479 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -81.7 | -45.4 | 164.8 | 177.6 | 0 | 0 | 0 | 0 | 110.3 | L1043 M1044 R1049 Q1050 | L1043-V1046 WeakPolarHBondContact O-CB 3.32Å; L1043-V1046 PolarHBondContact O-N 3.15Å; M1044-V1046 PolarHBondContact O-N 3.46Å; V1046-R1049 PolarHBondContact O-N 3.26Å; V1046-Q1050 WeakPolarHBondContact O-CG 3.33Å; V1046-Q1050 PolarHBondContact O-N 3.07Å |
| 1047 | C | 75.5 | Confident | 72.7 | Confident | 39 Ų | 39 | 104.7 Ų | 104.7 | 26% | 0.264 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.9 | -50 | -179.8 | -63.6 | 0 | 0 | 0 | 0 | 113.4 | L1043 M1044 R1049 Q1050 E1051 | L1043-C1047 PolarHBondContact O-N 2.65Å; L1043-C1047 VanDerWaalsContact O-N 3.12Å; M1044-C1047 HydrophobicContact CE-CB 4.36Å; M1044-C1047 PolarHBondContact O-N 2.62Å; M1044-C1047 VanDerWaalsContact O-N 3.15Å; M1044-C1047 HydrophobicContact SD-CB 4.42Å; C1047-R1049 PolarHBondContact O-N 2.93Å; C1047-Q1050 CarbonylContact O-C 3.56Å; C1047-Q1050 WeakPolarHBondContact O-CA 3.18Å; C1047-Q1050 WeakPolarHBondContact O-CB 3.29Å; C1047-Q1050 PolarHBondContact O-N 2.86Å; C1047-E1051 WeakPolarHBondContact O-CG 3.43Å; C1047-E1051 PolarHBondContact O-N 3.17Å |
| 1048 | T | 73.4 | Confident | 71.7 | Confident | 61 Ų | 61 | 107.7 Ų | 107.7 | 37% | 0.374 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.7 | -31.6 | 179.4 | 56.6 | 0 | 0 | 0 | 0 | 112.3 | M1044 Q1050 E1051 V1052 | M1044-T1048 HydrophobicContact CE-CG2 4.02Å; M1044-T1048 PolarHBondContact O-N 3.09Å; M1044-T1048 PolarHBondContact O-OG1 3.24Å; T1048-Q1050 VanDerWaalsContact C-N 3.26Å; T1048-Q1050 PolarHBondContact O-N 3.49Å; T1048-E1051 PolarHBondContact O-N 2.96Å; T1048-V1052 WeakPolarHBondContact O-CB 3.3Å; T1048-V1052 WeakPolarHBondContact O-CG2 3.48Å; T1048-V1052 PolarHBondContact O-N 3.3Å |
| 1049 | R | 76 | Confident | 70.6 | Confident | 205 Ų | 205 | 108 Ų | 108 | 77% | 0.774 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -73.2 | -17.7 | 175.6 | -164.8 | 171.5 | -171.7 | 161 | 3.8 | 113.2 | T1045 V1046 C1047 | T1045-R1049 WeakPolarHBondContact O-CB 3.46Å; V1046-R1049 PolarHBondContact O-N 3.26Å; C1047-R1049 PolarHBondContact O-N 2.93Å |
| 1050 | Q | 72.7 | Confident | 69.3 | Low | 115 Ų | 115 | 106.9 Ų | 106.9 | 54% | 0.537 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -88.2 | -43.9 | 168.9 | -68 | 168.2 | -22.4 | 0 | 0 | 110.8 | V1046 C1047 T1048 H1053 I1054 | V1046-Q1050 WeakPolarHBondContact O-CG 3.33Å; V1046-Q1050 PolarHBondContact O-N 3.07Å; C1047-Q1050 CarbonylContact O-C 3.56Å; C1047-Q1050 WeakPolarHBondContact O-CA 3.18Å; C1047-Q1050 WeakPolarHBondContact O-CB 3.29Å; C1047-Q1050 PolarHBondContact O-N 2.86Å; T1048-Q1050 VanDerWaalsContact C-N 3.26Å; T1048-Q1050 PolarHBondContact O-N 3.49Å; Q1050-H1053 PolarHBondContact O-N 2.98Å; Q1050-I1054 WeakPolarHBondContact O-CD1 3.4Å; Q1050-I1054 VanDerWaalsContact O-CG1 3.27Å; Q1050-I1054 WeakPolarHBondContact O-CG1 3.3Å; Q1050-I1054 PolarHBondContact O-N 3.14Å; Q1050-I1054 VanDerWaalsContact O-N 3.11Å |
| 1051 | E | 70.3 | Confident | 67.7 | Low | 112 Ų | 112 | 105.5 Ų | 105.5 | 52% | 0.523 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.5 | -47 | -176.6 | -70 | 171.8 | 149.4 | 0 | 0 | 113.7 | C1047 T1048 H1053 I1054 M1055 | C1047-E1051 WeakPolarHBondContact O-CG 3.43Å; C1047-E1051 PolarHBondContact O-N 3.17Å; T1048-E1051 PolarHBondContact O-N 2.96Å; E1051-H1053 VanDerWaalsContact C-N 3.3Å; E1051-H1053 PolarHBondContact O-N 3.01Å; E1051-I1054 PolarHBondContact O-N 3.34Å; E1051-I1054 VanDerWaalsContact O-N 3.11Å; E1051-M1055 PolarHBondContact O-N 3.04Å; E1051-M1055 VanDerWaalsContact O-N 3.11Å |
| 1052 | V | 72.4 | Confident | 66.1 | Low | 85 Ų | 85 | 107.2 Ų | 107.2 | 52% | 0.515 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -57.9 | -47 | 177 | 170.4 | 0 | 0 | 0 | 0 | 110 | T1048 I1054 M1055 E1056 | T1048-V1052 WeakPolarHBondContact O-CB 3.3Å; T1048-V1052 WeakPolarHBondContact O-CG2 3.48Å; T1048-V1052 PolarHBondContact O-N 3.3Å; V1052-I1054 PolarHBondContact O-N 3.48Å; V1052-M1055 PolarHBondContact O-N 2.72Å; V1052-E1056 HydrophobicContact CG1-CG 4.15Å; V1052-E1056 WeakPolarHBondContact CG1-OE1 3.48Å; V1052-E1056 WeakPolarHBondContact O-CB 3.25Å; V1052-E1056 VanDerWaalsContact O-CG 3.28Å; V1052-E1056 WeakPolarHBondContact O-CG 3.33Å; V1052-E1056 PolarHBondContact O-N 2.84Å |
| 1053 | H | 72.3 | Confident | 64.7 | Low | 124 Ų | 124 | 111.8 Ų | 111.8 | 57% | 0.574 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.7 | -25.8 | 179.1 | -172 | 43.5 | 0 | 0 | 0 | 113.6 | Q1050 E1051 | Q1050-H1053 PolarHBondContact O-N 2.98Å; E1051-H1053 VanDerWaalsContact C-N 3.3Å; E1051-H1053 PolarHBondContact O-N 3.01Å |
| 1054 | I | 65.4 | Low | 63.1 | Low | 92 Ų | 92 | 112.3 Ų | 112.3 | 47% | 0.472 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -76.2 | -45.7 | 174.6 | -70.7 | 161.8 | 0 | 0 | 0 | 111.2 | Q1050 E1051 V1052 L1057 Y1058 | Q1050-I1054 WeakPolarHBondContact O-CD1 3.4Å; Q1050-I1054 VanDerWaalsContact O-CG1 3.27Å; Q1050-I1054 WeakPolarHBondContact O-CG1 3.3Å; Q1050-I1054 PolarHBondContact O-N 3.14Å; Q1050-I1054 VanDerWaalsContact O-N 3.11Å; E1051-I1054 PolarHBondContact O-N 3.34Å; E1051-I1054 VanDerWaalsContact O-N 3.11Å; V1052-I1054 PolarHBondContact O-N 3.48Å; I1054-L1057 WeakPolarHBondContact O-CB 3.4Å; I1054-L1057 PolarHBondContact O-N 3.1Å; I1054-Y1058 HydrophobicContact CG2-CD2 4.43Å; I1054-Y1058 HydrophobicContact CG2-CE2 4.22Å |
| 1055 | M | 63.8 | Low | 61.7 | Low | 121 Ų | 121 | 116.1 Ų | 116.1 | 60% | 0.596 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -92.3 | -15.1 | -169.7 | -62.5 | -149.3 | 71.4 | 0 | 0 | 115.1 | E1051 V1052 L1057 Y1058 Q1059 | E1051-M1055 PolarHBondContact O-N 3.04Å; E1051-M1055 VanDerWaalsContact O-N 3.11Å; V1052-M1055 PolarHBondContact O-N 2.72Å; M1055-L1057 PolarHBondContact O-N 3.28Å; M1055-L1057 VanDerWaalsContact O-N 3.16Å; M1055-Y1058 HydrophobicContact CE-CD2 3.98Å; M1055-Y1058 HydrophobicContact CE-CG 4.12Å; M1055-Y1058 HydrophobicContact CG-CD2 4.2Å; M1055-Y1058 PolarHBondContact O-N 2.85Å; M1055-Q1059 PolarHBondContact O-N 3.19Å |
| 1056 | E | 63.4 | Low | 60.4 | Low | 109 Ų | 109 | 118.3 Ų | 118.3 | 51% | 0.509 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.6 | -23.2 | 159.1 | -75.1 | 172.6 | 156.4 | 0 | 0 | 112.5 | V1052 Q1060 | V1052-E1056 HydrophobicContact CG1-CG 4.15Å; V1052-E1056 WeakPolarHBondContact CG1-OE1 3.48Å; V1052-E1056 WeakPolarHBondContact O-CB 3.25Å; V1052-E1056 VanDerWaalsContact O-CG 3.28Å; V1052-E1056 WeakPolarHBondContact O-CG 3.33Å; V1052-E1056 PolarHBondContact O-N 2.84Å; E1056-Q1060 WeakPolarHBondContact O-CG 3.47Å; E1056-Q1060 PolarHBondContact O-NE2 3.42Å |
| 1057 | L | 55 | Low | 59.1 | Low | 101 Ų | 101 | 121 Ų | 121 | 53% | 0.529 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85 | -22 | 174.4 | -54.5 | 169.7 | 0 | 0 | 0 | 113.5 | I1054 M1055 | I1054-L1057 WeakPolarHBondContact O-CB 3.4Å; I1054-L1057 PolarHBondContact O-N 3.1Å; M1055-L1057 PolarHBondContact O-N 3.28Å; M1055-L1057 VanDerWaalsContact O-N 3.16Å |
| 1058 | Y | 55.3 | Low | 57.4 | Low | 144 Ų | 144 | 125.7 Ų | 125.7 | 57% | 0.565 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -38.7 | -179.1 | -87.9 | -74.5 | 0 | 0 | 0 | 112.6 | I1054 M1055 Q1060 I1061 | I1054-Y1058 HydrophobicContact CG2-CD2 4.43Å; I1054-Y1058 HydrophobicContact CG2-CE2 4.22Å; M1055-Y1058 HydrophobicContact CE-CD2 3.98Å; M1055-Y1058 HydrophobicContact CE-CG 4.12Å; M1055-Y1058 HydrophobicContact CG-CD2 4.2Å; M1055-Y1058 PolarHBondContact O-N 2.85Å; Y1058-Q1060 PolarHBondContact O-N 3.42Å; Y1058-I1061 HydrophobicContact CD1-CD1 4.32Å; Y1058-I1061 WeakPolarHBondContact O-CB 3.45Å; Y1058-I1061 PolarHBondContact O-N 2.94Å |
| 1059 | Q | 58.8 | Low | 55.6 | Low | 138 Ų | 138 | 133.6 Ų | 133.6 | 65% | 0.645 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -63.8 | -27.5 | 178.6 | -165.5 | 168.7 | 5.9 | 0 | 0 | 112 | M1055 I1061 E1062 | M1055-Q1059 PolarHBondContact O-N 3.19Å; Q1059-I1061 PolarHBondContact O-N 2.98Å; Q1059-I1061 VanDerWaalsContact O-N 3.14Å; Q1059-E1062 PolarHBondContact O-N 2.97Å |
| 1060 | Q | 49.3 | Very low | 53.5 | Low | 144 Ų | 144 | 128.8 Ų | 128.8 | 67% | 0.673 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.7 | -7 | 173.1 | -64.6 | 177.3 | 30.8 | 0 | 0 | 114.3 | E1056 Y1058 | E1056-Q1060 WeakPolarHBondContact O-CG 3.47Å; E1056-Q1060 PolarHBondContact O-NE2 3.42Å; Y1058-Q1060 PolarHBondContact O-N 3.42Å |
| 1061 | I | 47 | Very low | 51.7 | Low | 112 Ų | 112 | 134.1 Ų | 134.1 | 57% | 0.574 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -96.9 | -25.2 | 177.2 | -58.4 | 175.4 | 0 | 0 | 0 | 111.2 | Y1058 Q1059 T1064 | Y1058-I1061 HydrophobicContact CD1-CD1 4.32Å; Y1058-I1061 WeakPolarHBondContact O-CB 3.45Å; Y1058-I1061 PolarHBondContact O-N 2.94Å; Q1059-I1061 PolarHBondContact O-N 2.98Å; Q1059-I1061 VanDerWaalsContact O-N 3.14Å; I1061-T1064 PolarHBondContact O-OG1 3.2Å |
| 1062 | E | 44.7 | Very low | 49.6 | Very low | 152 Ų | 152 | 136.8 Ų | 136.8 | 71% | 0.71 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -73.8 | -33.1 | -165.4 | -152.7 | 168.6 | -152.3 | 0 | 0 | 113.7 | Q1059 T1064 | Q1059-E1062 PolarHBondContact O-N 2.97Å; E1062-T1064 VanDerWaalsContact C-N 3.26Å; E1062-T1064 PolarHBondContact O-N 3.37Å; E1062-T1064 VanDerWaalsContact O-N 3.13Å |
| 1063 | E | 41.6 | Very low | 47.5 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 72% | 0.724 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -13.5 | -169 | -58.1 | -169.7 | 140.1 | 0 | 0 | 115.2 | N1066 | E1063-N1066 PolarHBondContact O-ND2 3.07Š|
| 1064 | T | 44.3 | Very low | 45.7 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 74% | 0.736 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -20 | -166.3 | 57.7 | 0 | 0 | 0 | 0 | 115.8 | I1061 E1062 | I1061-T1064 PolarHBondContact O-OG1 3.2Å; E1062-T1064 VanDerWaalsContact C-N 3.26Å; E1062-T1064 PolarHBondContact O-N 3.37Å; E1062-T1064 VanDerWaalsContact O-N 3.13Å |
| 1065 | N | 45.5 | Very low | 44.2 | Very low | 141 Ų | 141 | 146.7 Ų | 146.7 | 75% | 0.754 | 70% | 0.704 | S | S | * | * | trans | -107.2 | 32 | -164.9 | -152.6 | 13.3 | 0 | 0 | 0 | 115 | N1067 | N1065-N1067 PolarHBondContact O-N 3.13Š| ||
| 1066 | N | 49.1 | Very low | 42.5 | Very low | 136 Ų | 136 | 149.3 Ų | 149.3 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | trans | -64.7 | 13.1 | -167.7 | -96.2 | -70.2 | 0 | 0 | 0 | 118.1 | E1063 | E1063-N1066 PolarHBondContact O-ND2 3.07Š| ||
| 1067 | N | 45.1 | Very low | 41.2 | Very low | 135 Ų | 135 | 150.7 Ų | 150.7 | 72% | 0.722 | 72% | 0.724 | S | S | * | * | trans | -126.3 | 150.1 | -165.7 | -81.7 | -71.2 | 0 | 0 | 0 | 115.3 | N1065 | N1065-N1067 PolarHBondContact O-N 3.13Š| ||
| 1068 | I | 41.1 | Very low | 40.1 | Very low | 138 Ų | 138 | 152.6 Ų | 152.6 | 71% | 0.708 | 73% | 0.734 | S | S | * | * | trans | 83.5 | 108.5 | 167.7 | -52.3 | 169.7 | 0 | 0 | 0 | 116.9 | ||||
| 1069 | R | 33.7 | Very low | 39 | Very low | 227 Ų | 227 | 153.2 Ų | 153.2 | 86% | 0.857 | 75% | 0.745 | S | S | * | * | trans | 68.3 | 161.5 | 153 | -69.3 | 168.8 | -161 | 167.9 | 5.8 | 117.9 | ||||
| 1070 | C | 32.5 | Very low | 38.1 | Very low | 104 Ų | 104 | 151.4 Ų | 151.4 | 70% | 0.703 | 75% | 0.745 | S | S | * | * | cis | -175 | 141.7 | -37.8 | -108.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1071 | R | 35.8 | Very low | 37.6 | Very low | 226 Ų | 226 | 153.2 Ų | 153.2 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | 41.4 | 122 | 123.5 | -126.1 | 175.9 | -171.6 | -178.6 | 2.8 | 119.3 | |||||
| 1072 | M | 25.4 | Very low | 37.2 | Very low | 169 Ų | 169 | 157.2 Ų | 157.2 | 83% | 0.833 | 76% | 0.758 | S | S | * | * | trans | 91.7 | 154.4 | 161.9 | -55.8 | -66.8 | -166.9 | 0 | 0 | 119.4 | ||||
| 1073 | R | 29.2 | Very low | 36.7 | Very low | 240 Ų | 240 | 155.2 Ų | 155.2 | 91% | 0.906 | 75% | 0.749 | S | S | * | * | trans | 81.1 | 151.6 | 176.3 | -63.2 | -169 | 172.3 | -167.8 | -2.4 | 117.6 | ||||
| 1074 | S | 33.9 | Very low | 36.4 | Very low | 88 Ų | 88 | 156.4 Ų | 156.4 | 62% | 0.615 | 76% | 0.755 | S | S | * | * | cis | -166.1 | 140.6 | -22.3 | -99.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1075 | Q | 33.5 | Very low | 35.9 | Very low | 180 Ų | 180 | 154.8 Ų | 154.8 | 84% | 0.841 | 75% | 0.753 | S | S | * | * | trans | 51.4 | 154.8 | 142.7 | -71.6 | 174.8 | -78.6 | 0 | 0 | 125.2 | ||||
| 1076 | E | 28.4 | Very low | 35.6 | Very low | 176 Ų | 176 | 157.4 Ų | 157.4 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | 86.9 | 140.4 | 165.9 | -56.1 | -159.7 | 164.4 | 0 | 0 | 119.5 | ||||
| 1077 | I | 36.2 | Very low | 34.8 | Very low | 139 Ų | 139 | 159.3 Ų | 159.3 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | cis | -163 | 147.7 | -41 | -122.7 | 167.6 | 0 | 0 | 0 | 108.6 | ||||
| 1078 | I | 31.3 | Very low | 34.4 | Very low | 141 Ų | 141 | 158.7 Ų | 158.7 | 72% | 0.723 | 76% | 0.764 | S | S | * | * | trans | 52.6 | 98.6 | 170.5 | -65 | 165.4 | 0 | 0 | 0 | 116.1 | ||||
| 1079 | I | 33.7 | Very low | 34.1 | Very low | 156 Ų | 156 | 158.3 Ų | 158.3 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | 79.5 | 130 | 70.9 | -68.1 | 173.6 | 0 | 0 | 0 | 113.4 | |||||
| 1080 | P | 39.8 | Very low | 34.2 | Very low | 100 Ų | 100 | 152.4 Ų | 152.4 | 65% | 0.649 | 76% | 0.761 | S | S | * | * | -142 | -175.3 | -127.1 | 45 | -26.9 | 0 | 0 | 0 | 117 | |||||
| 1081 | K | 38.6 | Very low | 34.4 | Very low | 182 Ų | 182 | 154.2 Ų | 154.2 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | 41.8 | 134.2 | 141.2 | -70.2 | 171.8 | -178.5 | -175 | 0 | 120.6 | ||||
| 1082 | R | 38.6 | Very low | 34.4 | Very low | 196 Ų | 196 | 150.9 Ų | 150.9 | 74% | 0.74 | 76% | 0.757 | S | S | * | * | cis | 94.7 | 141.3 | 36.8 | -172.6 | -172.8 | -173.8 | -120.7 | -2.7 | 113.6 | ||||
| 1083 | E | 34.1 | Very low | 34.9 | Very low | 110 Ų | 110 | 149.8 Ų | 149.8 | 51% | 0.514 | 75% | 0.754 | S | S | . | * | trans | 90.1 | 104.5 | 159.2 | -92.4 | 147.2 | 158.1 | 0 | 0 | 122.3 | ||||
| 1084 | E | 35.5 | Very low | 35.4 | Very low | 181 Ų | 181 | 143.3 Ų | 143.3 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | 78.3 | 146.3 | 121.1 | -73.8 | -173.5 | -162.9 | 0 | 0 | 125.9 | |||||
| 1085 | A | 33.9 | Very low | 35.6 | Very low | 85 Ų | 85 | 148.5 Ų | 148.5 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | trans | 91.9 | 98.1 | 147.6 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1086 | K | 37.4 | Very low | 35.8 | Very low | 197 Ų | 197 | 145.8 Ų | 145.8 | 86% | 0.857 | 75% | 0.753 | S | S | * | * | trans | 71.2 | 140.8 | 132.6 | -64.6 | -176.2 | 178.6 | -178.9 | 0 | 123.3 | ||||
| 1087 | E | 34.2 | Very low | 36 | Very low | 175 Ų | 175 | 140.5 Ų | 140.5 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | 81.8 | 131.8 | 147.9 | -86.4 | -176.8 | 178.9 | 0 | 0 | 123.3 | ||||
| 1088 | V | 34.9 | Very low | 35.7 | Very low | 123 Ų | 123 | 143 Ų | 143 | 75% | 0.745 | 76% | 0.755 | S | S | * | * | trans | 80 | 105.4 | 142.2 | 172.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 1089 | V | 35.7 | Very low | 36 | Very low | 129 Ų | 129 | 142.4 Ų | 142.4 | 78% | 0.782 | 76% | 0.763 | S | S | * | * | trans | 82 | 143.2 | 138.2 | 164.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1090 | S | 35.8 | Very low | 36 | Very low | 104 Ų | 104 | 141.2 Ų | 141.2 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | 87.6 | 109 | 158.1 | -84 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1091 | L | 36.9 | Very low | 35.6 | Very low | 141 Ų | 141 | 143.8 Ų | 143.8 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | 82 | 134.6 | 118.8 | -152.3 | 70.7 | 0 | 0 | 0 | 120.8 | |||||
| 1092 | E | 35 | Very low | 35.4 | Very low | 156 Ų | 156 | 139.4 Ų | 139.4 | 73% | 0.729 | 75% | 0.754 | S | S | * | * | trans | 66.4 | 113.4 | 159.5 | -83.3 | 153.7 | -145.4 | 0 | 0 | 121.1 | ||||
| 1093 | D | 37.2 | Very low | 35.1 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | trans | 60.1 | 99.2 | 133.9 | -69.9 | 12.7 | 0 | 0 | 0 | 122 | ||||
| 1094 | S | 39.5 | Very low | 35.1 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | 132.6 | 136.7 | 93.9 | 65.8 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 1095 | F | 37 | Very low | 35.2 | Very low | 197 Ų | 197 | 137 Ų | 137 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | trans | 60.2 | 137.9 | 152.9 | -90.9 | -123.1 | 0 | 0 | 0 | 120.1 | ||||
| 1096 | V | 38 | Very low | 35.3 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 75% | 0.745 | 77% | 0.766 | S | S | * | * | cis | -163.8 | 158.9 | -12.4 | 90.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1097 | G | 32.7 | Very low | 35.4 | Very low | 65 Ų | 65 | 137.9 Ų | 137.9 | 67% | 0.67 | 75% | 0.751 | S | S | * | * | trans | 94.3 | 138.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1098 | E | 31.1 | Very low | 35.6 | Very low | 192 Ų | 192 | 137.3 Ų | 137.3 | 90% | 0.897 | 75% | 0.748 | S | S | * | * | cis | -140.5 | 155 | -7 | -70.3 | -171.3 | 112.4 | 0 | 0 | 110.8 | ||||
| 1099 | S | 36.7 | Very low | 36 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 89% | 0.888 | 74% | 0.744 | S | S | * | * | trans | -9.2 | 140.4 | -179.6 | 54.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1100 | D | 32.7 | Very low | 36.5 | Very low | 131 Ų | 131 | 139 Ų | 139 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | -134.5 | 168.3 | -162.9 | -156.9 | -15.3 | 0 | 0 | 0 | 113.5 | ||||
| 1101 | Q | 32.2 | Very low | 36.5 | Very low | 154 Ų | 154 | 140.8 Ų | 140.8 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | trans | 54.8 | 139.5 | 163.2 | -72 | 137.4 | 40.9 | 0 | 0 | 120.4 | ||||
| 1102 | S | 34.2 | Very low | 36.5 | Very low | 90 Ų | 90 | 140.8 Ų | 140.8 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | cis | 87.2 | 126.7 | 6.8 | 102.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1103 | Y | 32.6 | Very low | 36.6 | Very low | 234 Ų | 234 | 139.9 Ų | 139.9 | 92% | 0.918 | 77% | 0.773 | S | S | * | * | trans | 62.2 | 161.1 | 170.6 | -70.6 | -94.7 | 0 | 0 | 0 | 117.3 | ||||
| 1104 | G | 33.2 | Very low | 36.6 | Very low | 60 Ų | 60 | 139.6 Ų | 139.6 | 62% | 0.619 | 77% | 0.772 | S | S | * | * | cis | 167.2 | 124.4 | -15 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1105 | D | 38.3 | Very low | 36.4 | Very low | 143 Ų | 143 | 141.8 Ų | 141.8 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | trans | 73.1 | 170.3 | 145.7 | -153.6 | 13.8 | 0 | 0 | 0 | 121.6 | ||||
| 1106 | W | 36 | Very low | 36.3 | Very low | 198 Ų | 198 | 138.1 Ų | 138.1 | 75% | 0.75 | 77% | 0.769 | S | S | * | * | trans | 95.6 | 88.2 | 165.7 | -59.6 | 90.6 | 0 | 0 | 0 | 121.9 | ||||
| 1107 | N | 39.2 | Very low | 36.2 | Very low | 103 Ų | 103 | 139.1 Ų | 139.1 | 55% | 0.551 | 77% | 0.771 | S | S | * | * | 58.9 | 132.1 | 116.5 | -101.2 | -19.1 | 0 | 0 | 0 | 124.4 | |||||
| 1108 | Q | 38.6 | Very low | 36.5 | Very low | 162 Ų | 162 | 144.8 Ų | 144.8 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | trans | 62.5 | 151.4 | 134.5 | -71.9 | 171.8 | 36.7 | 0 | 0 | 119.5 | ||||
| 1109 | S | 42.9 | Very low | 37 | Very low | 94 Ų | 94 | 140.9 Ų | 140.9 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | cis | -158.2 | 177.6 | 3.2 | -112.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1110 | P | 46.8 | Very low | 37 | Very low | 195 Ų | 195 | 142.2 Ų | 142.2 | 100% | 1.266 | 76% | 0.757 | S | S | * | * | cis | -96.5 | 0 | 9.3 | 40.5 | -37.2 | 0 | 0 | 0 | 115.5 |
Retrieved 1,110 of 1,110 residues in 472.6 ms
(Link to these results)