| 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 | 49.3 | Very low | 66.4 | Low | 116 Ų | 116 | 85.6 Ų | 85.6 | 57% | 0.571 | 48% | 0.475 | S | S | * | . | 0 | 115.9 | 0 | -158.2 | -176.7 | -58.5 | 0 | 0 | 105.3 | A17 | M1-A17 HydrophobicContact SD-CB 4.36Š| |||
| 2 | E | 55.9 | Low | 67.6 | Low | 138 Ų | 138 | 84.6 Ų | 84.6 | 65% | 0.645 | 48% | 0.478 | S | S | * | . | trans | -69.6 | 135.8 | -178 | -71.2 | 172.7 | 159.8 | 0 | 0 | 109 | E4 Q5 | E2-E4 PolarHBondContact O-N 3.05Å; E2-Q5 WeakPolarHBondContact O-CB 3.34Å; E2-Q5 PolarHBondContact O-N 3.45Å | ||
| 3 | V | 61.7 | Low | 68.9 | Low | 68 Ų | 68 | 81.8 Ų | 81.8 | 41% | 0.412 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -54.4 | -27 | -177.4 | -175.5 | 0 | 0 | 0 | 0 | 111.5 | Q5 L6 L36 | V3-Q5 VanDerWaalsContact C-N 3.28Å; V3-Q5 PolarHBondContact O-N 3.05Å; V3-L6 WeakPolarHBondContact O-CB 3.42Å; V3-L6 PolarHBondContact O-N 3.14Å; V3-L36 HydrophobicContact CG1-CD1 3.91Å; V3-L36 HydrophobicContact CG1-CD2 4.45Å |
| 4 | E | 59.8 | Low | 70 | Confident | 154 Ų | 154 | 76 Ų | 76 | 72% | 0.72 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62.4 | -28.3 | 175.5 | -62.1 | -163.9 | 160.8 | 0 | 0 | 114.2 | E2 L6 L7 | E2-E4 PolarHBondContact O-N 3.05Å; E4-L6 VanDerWaalsContact C-N 3.29Å; E4-L6 PolarHBondContact O-N 3.1Å; E4-L7 WeakPolarHBondContact O-CB 3.41Å; E4-L7 PolarHBondContact O-N 3.39Å |
| 5 | Q | 64.9 | Low | 70.8 | Confident | 102 Ų | 102 | 71.5 Ų | 71.5 | 48% | 0.477 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -70.4 | -28.2 | 177.6 | -67.4 | 179.8 | -4.7 | 0 | 0 | 111.7 | E2 V3 L7 S8 | E2-Q5 WeakPolarHBondContact O-CB 3.34Å; E2-Q5 PolarHBondContact O-N 3.45Å; V3-Q5 VanDerWaalsContact C-N 3.28Å; V3-Q5 PolarHBondContact O-N 3.05Å; Q5-L7 VanDerWaalsContact C-N 3.25Å; Q5-L7 PolarHBondContact O-N 3.48Å; Q5-S8 PolarHBondContact O-N 2.88Å; Q5-S8 PolarHBondContact O-OG 3.43Å |
| 6 | L | 68.5 | Low | 71.7 | Confident | 2 Ų | 2 | 75.7 Ų | 75.7 | 1% | 0.01 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -67.1 | -27.3 | 176.8 | -65.1 | 168.3 | 0 | 0 | 0 | 112.4 | V3 E4 S8 L9 L14 A17 L21 I33 L36 N38 | V3-L6 WeakPolarHBondContact O-CB 3.42Å; V3-L6 PolarHBondContact O-N 3.14Å; E4-L6 VanDerWaalsContact C-N 3.29Å; E4-L6 PolarHBondContact O-N 3.1Å; L6-S8 PolarHBondContact O-N 2.98Å; L6-L9 PolarHBondContact O-N 3.47Å; L6-L14 HydrophobicContact CB-CD1 4.31Å; L6-L14 HydrophobicContact CD2-CD1 3.88Å; L6-A17 HydrophobicContact CD2-CB 3.52Å; L6-L21 HydrophobicContact CD1-CD2 3.93Å; L6-I33 HydrophobicContact CD1-CG2 4.13Å; L6-L36 HydrophobicContact CB-CD1 4.13Å; L6-L36 HydrophobicContact CD1-CD1 4.31Å; L6-N38 PolarHBondContact O-ND2 3.49Å |
| 7 | L | 66.7 | Low | 72.5 | Confident | 87 Ų | 87 | 71.7 Ų | 71.7 | 46% | 0.455 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -17.7 | 176.1 | -67.9 | 171.6 | 0 | 0 | 0 | 113.1 | E4 Q5 L36 N38 | E4-L7 WeakPolarHBondContact O-CB 3.41Å; E4-L7 PolarHBondContact O-N 3.39Å; Q5-L7 VanDerWaalsContact C-N 3.25Å; Q5-L7 PolarHBondContact O-N 3.48Å; L7-L36 HydrophobicContact CD2-CD2 3.9Å; L7-N38 VanDerWaalsContact CA-ND2 3.29Å; L7-N38 WeakPolarHBondContact CA-ND2 3.37Å; L7-N38 PolarHBondContact O-ND2 2.91Å |
| 8 | S | 71.7 | Confident | 73.3 | Confident | 96 Ų | 96 | 67.8 Ų | 67.8 | 67% | 0.671 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -10.2 | 178.9 | 72.9 | 0 | 0 | 0 | 0 | 114.3 | Q5 L6 | Q5-S8 PolarHBondContact O-N 2.88Å; Q5-S8 PolarHBondContact O-OG 3.43Å; L6-S8 PolarHBondContact O-N 2.98Å |
| 9 | L | 78.3 | Confident | 74 | Confident | 52 Ų | 52 | 66.2 Ų | 66.2 | 27% | 0.272 | 38% | 0.378 | S | S | . | . | trans | -101.3 | 145.2 | -173.6 | -61.1 | 175.9 | 0 | 0 | 0 | 111.5 | L6 A13 L14 A17 N38 | L6-L9 PolarHBondContact O-N 3.47Å; L9-A13 HydrophobicContact CD2-CB 4.25Å; L9-L14 HydrophobicContact CB-CB 4.25Å; L9-L14 HydrophobicContact CB-CD1 4.27Å; L9-A17 HydrophobicContact CD1-CB 3.74Å; L9-N38 PolarHBondContact O-ND2 3.41Å | ||
| 10 | S | 75.4 | Confident | 74.6 | Confident | 96 Ų | 96 | 65.6 Ų | 65.6 | 67% | 0.671 | 38% | 0.378 | S | S | * | . | trans | -139 | 155.3 | 178.4 | 61.5 | 0 | 0 | 0 | 0 | 112.3 | S12 A13 | S10-S12 PolarHBondContact O-N 3.08Å; S10-A13 PolarHBondContact O-N 2.92Å | ||
| 11 | G | 78.1 | Confident | 75.2 | Confident | 31 Ų | 31 | 62.9 Ų | 62.9 | 32% | 0.32 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | -128.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | A13 L14 A15 | G11-A13 VanDerWaalsContact C-N 3.3Å; G11-A13 PolarHBondContact O-N 3.34Å; G11-L14 PolarHBondContact O-N 3.15Å; G11-A15 PolarHBondContact O-N 2.88Å; G11-A15 VanDerWaalsContact O-N 3.1Å |
| 12 | S | 81 | Confident | 77 | Confident | 73 Ų | 73 | 57.3 Ų | 57.3 | 51% | 0.51 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.7 | -35.9 | -176.2 | -175 | 0 | 0 | 0 | 0 | 113.3 | S10 L14 A15 Q16 H47 | S10-S12 PolarHBondContact O-N 3.08Å; S12-L14 VanDerWaalsContact C-N 3.34Å; S12-L14 PolarHBondContact O-N 3.43Å; S12-A15 PolarHBondContact O-N 3.45Å; S12-Q16 PolarHBondContact O-N 3.13Å; S12-H47 PolarHBondContact N-NE2 3.49Å |
| 13 | A | 84.1 | Confident | 78.5 | Confident | 48 Ų | 48 | 54.8 Ų | 54.8 | 40% | 0.397 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66 | -38.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L9 S10 G11 Q16 A17 | L9-A13 HydrophobicContact CD2-CB 4.25Å; S10-A13 PolarHBondContact O-N 2.92Å; G11-A13 VanDerWaalsContact C-N 3.3Å; G11-A13 PolarHBondContact O-N 3.34Å; A13-Q16 PolarHBondContact O-N 2.95Å; A13-A17 WeakPolarHBondContact O-CB 3.35Å; A13-A17 PolarHBondContact O-N 2.93Å |
| 14 | L | 84 | Confident | 79.7 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.2 | -41.4 | 174.7 | -174.8 | 61.9 | 0 | 0 | 0 | 111.2 | L6 L9 G11 S12 Q16 A17 V18 N38 V39 L42 | L6-L14 HydrophobicContact CB-CD1 4.31Å; L6-L14 HydrophobicContact CD2-CD1 3.88Å; L9-L14 HydrophobicContact CB-CB 4.25Å; L9-L14 HydrophobicContact CB-CD1 4.27Å; G11-L14 PolarHBondContact O-N 3.15Å; S12-L14 VanDerWaalsContact C-N 3.34Å; S12-L14 PolarHBondContact O-N 3.43Å; L14-Q16 VanDerWaalsContact C-N 3.33Å; L14-Q16 PolarHBondContact O-N 3.18Å; L14-A17 PolarHBondContact O-N 3.41Å; L14-V18 WeakPolarHBondContact O-CG2 3.45Å; L14-V18 PolarHBondContact O-N 3.29Å; L14-N38 HydrophobicContact CD2-CB 3.88Å; L14-N38 WeakPolarHBondContact CD2-O 3.34Å; L14-V39 HydrophobicContact CD1-CG2 4.28Å; L14-V39 HydrophobicContact CD2-CG2 4.22Å; L14-L42 HydrophobicContact CD2-CD1 3.63Å; L14-L42 HydrophobicContact CD2-CD2 4.12Å; L14-L42 HydrophobicContact CD2-CG 3.85Å; L14-L42 HydrophobicContact CG-CD1 3.87Å |
| 15 | A | 83.1 | Confident | 80.8 | Confident | 9 Ų | 9 | 51.9 Ų | 51.9 | 7% | 0.074 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.2 | -40 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G11 S12 S19 H47 M50 | G11-A15 PolarHBondContact O-N 2.88Å; G11-A15 VanDerWaalsContact O-N 3.1Å; S12-A15 PolarHBondContact O-N 3.45Å; A15-S19 PolarHBondContact O-N 3.26Å; A15-H47 HydrophobicContact CB-CB 4.48Å; A15-M50 HydrophobicContact CB-CG 4.2Å |
| 16 | Q | 84.8 | Confident | 81.6 | Confident | 138 Ų | 138 | 49.8 Ų | 49.8 | 65% | 0.645 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -69.3 | -38.1 | 174.2 | -71.1 | -158 | -23.8 | 0 | 0 | 113 | S12 A13 L14 S19 S20 | S12-Q16 PolarHBondContact O-N 3.13Å; A13-Q16 PolarHBondContact O-N 2.95Å; L14-Q16 VanDerWaalsContact C-N 3.33Å; L14-Q16 PolarHBondContact O-N 3.18Å; Q16-S19 PolarHBondContact O-N 3.45Å; Q16-S20 PolarHBondContact O-N 2.93Å; Q16-S20 PolarHBondContact O-OG 3.35Å |
| 17 | A | 85.6 | Confident | 82.5 | Confident | 8 Ų | 8 | 51.9 Ų | 51.9 | 7% | 0.066 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | M1 L6 L9 A13 L14 S20 L21 | M1-A17 HydrophobicContact SD-CB 4.36Å; L6-A17 HydrophobicContact CD2-CB 3.52Å; L9-A17 HydrophobicContact CD1-CB 3.74Å; A13-A17 WeakPolarHBondContact O-CB 3.35Å; A13-A17 PolarHBondContact O-N 2.93Å; L14-A17 PolarHBondContact O-N 3.41Å; A17-S20 WeakPolarHBondContact O-CB 3.48Å; A17-S20 PolarHBondContact O-N 3.36Å; A17-L21 WeakPolarHBondContact O-CB 3.35Å; A17-L21 PolarHBondContact O-N 3.43Å |
| 18 | V | 86.3 | Confident | 83.4 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.012 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60 | -46.8 | 173.7 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | L14 S20 L21 L22 M50 L54 | L14-V18 WeakPolarHBondContact O-CG2 3.45Å; L14-V18 PolarHBondContact O-N 3.29Å; V18-S20 VanDerWaalsContact C-N 3.27Å; V18-S20 PolarHBondContact O-N 2.94Å; V18-L21 WeakPolarHBondContact O-CB 3.47Å; V18-L21 PolarHBondContact O-N 3.22Å; V18-L21 VanDerWaalsContact O-N 3.09Å; V18-L22 HydrophobicContact CG1-CD1 4.47Å; V18-L22 HydrophobicContact CG1-CG 4.44Å; V18-L22 WeakPolarHBondContact O-CG 3.26Å; V18-L22 PolarHBondContact O-N 3.04Å; V18-M50 HydrophobicContact CB-CG 4.21Å; V18-M50 HydrophobicContact CB-SD 4.4Å; V18-M50 HydrophobicContact CG1-CG 3.97Å; V18-M50 HydrophobicContact CG1-SD 3.91Å; V18-L54 HydrophobicContact CG1-CB 4.3Å; V18-L54 HydrophobicContact CG1-CD1 4.35Å; V18-L54 HydrophobicContact CG1-CD2 4.39Å |
| 19 | S | 86.2 | Confident | 84.2 | Confident | 36 Ų | 36 | 47.1 Ų | 47.1 | 25% | 0.252 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57.4 | -41.1 | 176 | -171.8 | 0 | 0 | 0 | 0 | 112.6 | A15 Q16 L21 L22 E23 Q79 | A15-S19 PolarHBondContact O-N 3.26Å; Q16-S19 PolarHBondContact O-N 3.45Å; S19-L21 VanDerWaalsContact C-N 3.34Å; S19-L22 PolarHBondContact O-N 3.45Å; S19-E23 PolarHBondContact O-N 3.48Å; S19-Q79 PolarHBondContact O-NE2 2.8Å; S19-Q79 PolarHBondContact OG-NE2 3.22Å; S19-Q79 VanDerWaalsContact OG-NE2 3.11Å |
| 20 | S | 86.9 | Confident | 84.7 | Confident | 54 Ų | 54 | 44.6 Ų | 44.6 | 38% | 0.378 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -69.3 | -33.8 | 177.9 | -54.1 | 0 | 0 | 0 | 0 | 112 | Q16 A17 V18 E23 T24 | Q16-S20 PolarHBondContact O-N 2.93Å; Q16-S20 PolarHBondContact O-OG 3.35Å; A17-S20 WeakPolarHBondContact O-CB 3.48Å; A17-S20 PolarHBondContact O-N 3.36Å; V18-S20 VanDerWaalsContact C-N 3.27Å; V18-S20 PolarHBondContact O-N 2.94Å; S20-E23 PolarHBondContact O-N 3.25Å; S20-T24 PolarHBondContact O-N 3.43Å; S20-T24 PolarHBondContact O-OG1 3.1Å |
| 21 | L | 87.1 | Confident | 85.2 | Confident | 9 Ų | 9 | 40.7 Ų | 40.7 | 5% | 0.047 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.7 | -40.1 | 176.2 | -166.5 | 67.4 | 0 | 0 | 0 | 111.5 | L6 A17 V18 S19 E23 T24 L27 I33 | L6-L21 HydrophobicContact CD1-CD2 3.93Å; A17-L21 WeakPolarHBondContact O-CB 3.35Å; A17-L21 PolarHBondContact O-N 3.43Å; V18-L21 WeakPolarHBondContact O-CB 3.47Å; V18-L21 PolarHBondContact O-N 3.22Å; V18-L21 VanDerWaalsContact O-N 3.09Å; S19-L21 VanDerWaalsContact C-N 3.34Å; L21-E23 PolarHBondContact O-N 2.92Å; L21-T24 WeakPolarHBondContact O-CB 3.35Å; L21-T24 PolarHBondContact O-N 2.91Å; L21-L27 HydrophobicContact CD1-CD2 3.31Å; L21-L27 HydrophobicContact CD2-CD2 4.28Å; L21-L27 HydrophobicContact CG-CD2 3.42Å; L21-L27 VanDerWaalsContact CG-CD2 3.42Å; L21-I33 HydrophobicContact CD2-CB 4.36Å; L21-I33 HydrophobicContact CD2-CD1 3.4Å; L21-I33 VanDerWaalsContact CD2-CD1 3.4Å; L21-I33 HydrophobicContact CD2-CG1 3.84Å; L21-I33 HydrophobicContact CD2-CG2 3.76Å; L21-I33 HydrophobicContact CG-CD1 4.2Å |
| 22 | L | 87.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.2 | -32.2 | 172.5 | -65.9 | -179.8 | 0 | 0 | 0 | 111.4 | V18 S19 F30 L53 L54 F57 Q79 K82 | V18-L22 HydrophobicContact CG1-CD1 4.47Å; V18-L22 HydrophobicContact CG1-CG 4.44Å; V18-L22 WeakPolarHBondContact O-CG 3.26Å; V18-L22 PolarHBondContact O-N 3.04Å; S19-L22 PolarHBondContact O-N 3.45Å; L22-F30 HydrophobicContact CD2-CD1 4.24Å; L22-F30 HydrophobicContact CD2-CE1 3.76Å; L22-F30 HydrophobicContact CD2-CZ 4.07Å; L22-L53 HydrophobicContact CD1-CD2 3.88Å; L22-L53 HydrophobicContact CD1-CG 4.12Å; L22-L54 HydrophobicContact CD2-CD1 3.96Å; L22-F57 HydrophobicContact CD1-CD2 4.35Å; L22-F57 HydrophobicContact CD1-CE2 4.25Å; L22-F57 HydrophobicContact CD2-CB 3.97Å; L22-F57 HydrophobicContact CD2-CD1 3.78Å; L22-F57 HydrophobicContact CD2-CD2 4.07Å; L22-F57 HydrophobicContact CD2-CE1 4.26Å; L22-F57 HydrophobicContact CD2-CG 3.66Å; L22-Q79 HydrophobicContact CB-CG 4.08Å; L22-K82 WeakPolarHBondContact O-CD 3.3Å; L22-K82 WeakPolarHBondContact O-CE 3.39Å; L22-K82 PolarHBondContact O-NZ 2.91Å |
| 23 | E | 87.6 | Confident | 85.7 | Confident | 84 Ų | 84 | 41.3 Ų | 41.3 | 39% | 0.393 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -81.7 | -11.9 | 175.9 | -72.9 | -176.2 | 169.3 | 0 | 0 | 114.6 | S19 S20 L21 P25 T76 A78 Q79 | S19-E23 PolarHBondContact O-N 3.48Å; S20-E23 PolarHBondContact O-N 3.25Å; L21-E23 PolarHBondContact O-N 2.92Å; E23-P25 WeakPolarHBondContact O-CD 3.47Å; E23-T76 VanDerWaalsContact OE1-CB 3.31Å; E23-T76 WeakPolarHBondContact OE1-CB 3.46Å; E23-T76 WeakPolarHBondContact OE1-CG2 3.38Å; E23-T76 PolarHBondContact OE1-OG1 3.44Å; E23-A78 HydrophobicContact CG-CB 4.47Å; E23-Q79 HydrophobicContact CG-CG 3.49Å; E23-Q79 VanDerWaalsContact CG-CG 3.49Å |
| 24 | T | 86.6 | Confident | 85.8 | Confident | 49 Ų | 49 | 39.6 Ų | 39.6 | 30% | 0.301 | 24% | 0.238 | S | C | . | . | trans | -67.6 | 121.6 | -175.3 | -61.5 | 0 | 0 | 0 | 0 | 110.4 | S20 L21 L27 K82 | S20-T24 PolarHBondContact O-N 3.43Å; S20-T24 PolarHBondContact O-OG1 3.1Å; L21-T24 WeakPolarHBondContact O-CB 3.35Å; L21-T24 PolarHBondContact O-N 2.91Å; T24-L27 HydrophobicContact CG2-CB 4.39Å; T24-K82 PolarHBondContact O-NZ 2.97Å | ||
| 25 | P | 82.8 | Confident | 85.9 | Confident | 112 Ų | 112 | 45.3 Ų | 45.3 | 73% | 0.727 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | 145.4 | 178.3 | 28.9 | -34.3 | 0 | 0 | 0 | 110.4 | E23 L27 | E23-P25 WeakPolarHBondContact O-CD 3.47Å; P25-L27 PolarHBondContact O-N 2.93Å |
| 26 | G | 81.9 | Confident | 86.1 | Confident | 59 Ų | 59 | 46.1 Ų | 46.1 | 61% | 0.608 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | -13.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y28 | G26-Y28 PolarHBondContact O-N 3.37Š|
| 27 | L | 86.7 | Confident | 86.1 | Confident | 46 Ų | 46 | 43.2 Ų | 43.2 | 24% | 0.241 | 26% | 0.26 | C | S | . | . | trans | -90.1 | 100.9 | 174.9 | -178.8 | 67.9 | 0 | 0 | 0 | 110.9 | L21 T24 P25 V29 F30 I33 K82 | L21-L27 HydrophobicContact CD1-CD2 3.31Å; L21-L27 HydrophobicContact CD2-CD2 4.28Å; L21-L27 HydrophobicContact CG-CD2 3.42Å; L21-L27 VanDerWaalsContact CG-CD2 3.42Å; T24-L27 HydrophobicContact CG2-CB 4.39Å; P25-L27 PolarHBondContact O-N 2.93Å; L27-V29 WeakPolarHBondContact CD1-O 3.42Å; L27-F30 HydrophobicContact CD2-CD1 4.47Å; L27-F30 HydrophobicContact CD2-CE1 3.95Å; L27-F30 HydrophobicContact CG-CE1 4.07Å; L27-F30 HydrophobicContact CG-CZ 4.46Å; L27-F30 WeakPolarHBondContact O-CZ 3.45Å; L27-I33 HydrophobicContact CD2-CD1 4.17Å; L27-K82 WeakPolarHBondContact O-CE 3.26Å; L27-K82 PolarHBondContact O-NZ 2.94Å | ||
| 28 | Y | 86.4 | Confident | 86 | Confident | 20 Ų | 20 | 44.5 Ų | 44.5 | 8% | 0.078 | 27% | 0.266 | C | S | . | . | trans | -115.4 | 5.4 | 179.2 | -68.4 | -84 | 0 | 0 | 0 | 113.7 | G26 K82 H85 L86 I127 | G26-Y28 PolarHBondContact O-N 3.37Å; Y28-K82 HydrophobicContact CD1-CG 4.22Å; Y28-K82 HydrophobicContact CE1-CD 4.47Å; Y28-K82 HydrophobicContact CE1-CG 3.61Å; Y28-H85 HydrophobicContact CE1-CB 4.16Å; Y28-L86 HydrophobicContact CD1-CD2 3.76Å; Y28-L86 HydrophobicContact CD1-CG 4.05Å; Y28-L86 HydrophobicContact CG-CD2 4.46Å; Y28-I127 HydrophobicContact CD2-CG1 4.35Å; Y28-I127 HydrophobicContact CE1-CD1 3.76Å; Y28-I127 HydrophobicContact CE1-CG1 4.49Å; Y28-I127 HydrophobicContact CE2-CD1 3.67Å; Y28-I127 HydrophobicContact CE2-CG1 3.74Å; Y28-I127 WeakPolarHBondContact OH-CD1 3.46Å | ||
| 29 | V | 87.6 | Confident | 85.9 | Confident | 62 Ų | 62 | 44.5 Ų | 44.5 | 38% | 0.376 | 27% | 0.266 | S | S | . | . | trans | -116.9 | 123.9 | -179.9 | -178.5 | 0 | 0 | 0 | 0 | 107.7 | L27 D148 | L27-V29 WeakPolarHBondContact CD1-O 3.42Å; V29-D148 WeakPolarHBondContact CG1-OD1 3.36Å | ||
| 30 | F | 88.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -126.7 | -9.4 | -172.6 | -60.7 | -76.8 | 0 | 0 | 0 | 113.7 | L22 L27 D32 I33 L34 L54 F57 A58 L86 D148 | L22-F30 HydrophobicContact CD2-CD1 4.24Å; L22-F30 HydrophobicContact CD2-CE1 3.76Å; L22-F30 HydrophobicContact CD2-CZ 4.07Å; L27-F30 HydrophobicContact CD2-CD1 4.47Å; L27-F30 HydrophobicContact CD2-CE1 3.95Å; L27-F30 HydrophobicContact CG-CE1 4.07Å; L27-F30 HydrophobicContact CG-CZ 4.46Å; L27-F30 WeakPolarHBondContact O-CZ 3.45Å; F30-D32 VanDerWaalsContact C-N 3.34Å; F30-D32 PolarHBondContact O-N 3.27Å; F30-I33 HydrophobicContact CD1-CD1 4.07Å; F30-I33 WeakPolarHBondContact O-CB 3.3Å; F30-I33 PolarHBondContact O-N 3.33Å; F30-I33 VanDerWaalsContact O-N 3.1Å; F30-L34 PolarHBondContact O-N 2.75Å; F30-L54 HydrophobicContact CB-CD1 3.98Å; F30-L54 HydrophobicContact CD1-CD1 3.79Å; F30-L54 HydrophobicContact CG-CD1 4.11Å; F30-F57 HydrophobicContact CD2-CB 3.99Å; F30-F57 HydrophobicContact CE2-CB 4.03Å; F30-F57 HydrophobicContact CE2-CD1 4.17Å; F30-F57 HydrophobicContact CG-CB 4.49Å; F30-F57 HydrophobicContact CZ-CD1 4.27Å; F30-A58 HydrophobicContact CB-CB 4.14Å; F30-L86 HydrophobicContact CE2-CD1 4.12Å; F30-D148 PolarHBondContact N-OD1 3.44Å; F30-D148 PolarHBondContact N-OD2 2.94Å | ||
| 31 | S | 85.3 | Confident | 85.7 | Confident | 14 Ų | 14 | 53 Ų | 53 | 10% | 0.098 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.4 | -46.2 | 179.3 | -76.1 | 0 | 0 | 0 | 0 | 112.2 | I33 L34 E35 Y59 D148 | S31-I33 PolarHBondContact O-N 3.17Å; S31-L34 WeakPolarHBondContact O-CB 2.92Å; S31-L34 PolarHBondContact O-N 2.95Å; S31-E35 WeakPolarHBondContact O-CG 3.36Å; S31-E35 PolarHBondContact O-N 3.47Å; S31-Y59 PolarHBondContact OG-OH 2.9Å; S31-Y59 VanDerWaalsContact OG-OH 3.13Å; S31-D148 VanDerWaalsContact CB-OD1 3.27Å; S31-D148 WeakPolarHBondContact CB-OD1 3.36Å; S31-D148 PolarHBondContact N-OD1 2.82Å; S31-D148 VanDerWaalsContact OG-CB 3.27Å; S31-D148 WeakPolarHBondContact OG-CB 3.5Å; S31-D148 PolarHBondContact OG-OD1 2.92Å; S31-D148 VanDerWaalsContact OG-OD1 3.05Å |
| 32 | D | 85.1 | Confident | 85.5 | Confident | 111 Ų | 111 | 53.1 Ų | 53.1 | 59% | 0.594 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -59.2 | -35.4 | 179.2 | -63.8 | -20.1 | 0 | 0 | 0 | 112 | F30 | F30-D32 VanDerWaalsContact C-N 3.34Å; F30-D32 PolarHBondContact O-N 3.27Å |
| 33 | I | 86.1 | Confident | 85.3 | Confident | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -75.5 | -36.5 | 179 | -61.6 | 141.9 | 0 | 0 | 0 | 110.4 | L6 L21 L27 F30 S31 E35 L36 V39 L54 | L6-I33 HydrophobicContact CD1-CG2 4.13Å; L21-I33 HydrophobicContact CD2-CB 4.36Å; L21-I33 HydrophobicContact CD2-CD1 3.4Å; L21-I33 VanDerWaalsContact CD2-CD1 3.4Å; L21-I33 HydrophobicContact CD2-CG1 3.84Å; L21-I33 HydrophobicContact CD2-CG2 3.76Å; L21-I33 HydrophobicContact CG-CD1 4.2Å; L27-I33 HydrophobicContact CD2-CD1 4.17Å; F30-I33 HydrophobicContact CD1-CD1 4.07Å; F30-I33 WeakPolarHBondContact O-CB 3.3Å; F30-I33 PolarHBondContact O-N 3.33Å; F30-I33 VanDerWaalsContact O-N 3.1Å; S31-I33 PolarHBondContact O-N 3.17Å; I33-E35 VanDerWaalsContact C-N 3.28Å; I33-E35 PolarHBondContact O-N 3.44Å; I33-L36 HydrophobicContact CG2-CD1 4.44Å; I33-L36 WeakPolarHBondContact O-CB 3.4Å; I33-L36 WeakPolarHBondContact O-CG 3.46Å; I33-L36 PolarHBondContact O-N 2.94Å; I33-V39 HydrophobicContact CG2-CG2 4.39Å; I33-V39 WeakPolarHBondContact O-CB 3.3Å; I33-V39 WeakPolarHBondContact O-CG2 3.45Å; I33-L54 HydrophobicContact CG2-CD2 4Å |
| 34 | L | 85.9 | Confident | 85.1 | Confident | 13 Ų | 13 | 61 Ų | 61 | 7% | 0.068 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68.4 | -28.2 | 177.3 | -162.9 | 74.6 | 0 | 0 | 0 | 112.3 | F30 S31 L36 R40 Y51 L54 N55 Y59 | F30-L34 PolarHBondContact O-N 2.75Å; S31-L34 WeakPolarHBondContact O-CB 2.92Å; S31-L34 PolarHBondContact O-N 2.95Å; L34-L36 VanDerWaalsContact C-N 3.3Å; L34-R40 WeakPolarHBondContact O-CG 3.4Å; L34-Y51 HydrophobicContact CD1-CD2 3.99Å; L34-Y51 HydrophobicContact CD1-CE2 3.42Å; L34-Y51 VanDerWaalsContact CD1-CE2 3.42Å; L34-Y51 HydrophobicContact CG-CE2 4.14Å; L34-L54 HydrophobicContact CD1-CB 4.42Å; L34-L54 HydrophobicContact CD1-CD2 3.9Å; L34-L54 HydrophobicContact CD1-CG 4.01Å; L34-N55 HydrophobicContact CD1-CB 4.39Å; L34-Y59 HydrophobicContact CD2-CE2 3.71Å |
| 35 | E | 85.8 | Confident | 84.8 | Confident | 121 Ų | 121 | 59.9 Ų | 59.9 | 57% | 0.565 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -14.1 | 177.3 | -72.5 | -173.3 | -178.7 | 0 | 0 | 113.9 | S31 I33 | S31-E35 WeakPolarHBondContact O-CG 3.36Å; S31-E35 PolarHBondContact O-N 3.47Å; I33-E35 VanDerWaalsContact C-N 3.28Å; I33-E35 PolarHBondContact O-N 3.44Å |
| 36 | L | 86.9 | Confident | 84.8 | Confident | 26 Ų | 26 | 60.5 Ų | 60.5 | 14% | 0.136 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -63.2 | 135 | 178.4 | -60 | 176 | 0 | 0 | 0 | 111.1 | V3 L6 L7 I33 L34 N38 V39 R40 | V3-L36 HydrophobicContact CG1-CD1 3.91Å; V3-L36 HydrophobicContact CG1-CD2 4.45Å; L6-L36 HydrophobicContact CB-CD1 4.13Å; L6-L36 HydrophobicContact CD1-CD1 4.31Å; L7-L36 HydrophobicContact CD2-CD2 3.9Å; I33-L36 HydrophobicContact CG2-CD1 4.44Å; I33-L36 WeakPolarHBondContact O-CB 3.4Å; I33-L36 WeakPolarHBondContact O-CG 3.46Å; I33-L36 PolarHBondContact O-N 2.94Å; L34-L36 VanDerWaalsContact C-N 3.3Å; L36-N38 VanDerWaalsContact C-N 3.33Å; L36-N38 PolarHBondContact O-N 3.32Å; L36-V39 HydrophobicContact CB-CB 4.29Å; L36-V39 HydrophobicContact CB-CG2 4.05Å; L36-V39 HydrophobicContact CD1-CG2 4.39Å; L36-V39 PolarHBondContact O-N 2.98Å; L36-R40 PolarHBondContact O-N 2.96Å |
| 37 | P | 84.7 | Confident | 84.8 | Confident | 76 Ų | 76 | 60.3 Ų | 60.3 | 49% | 0.494 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.6 | -42.5 | -176.3 | 22 | -32.3 | 0 | 0 | 0 | 112.3 | V39 R40 E41 | P37-V39 PolarHBondContact O-N 3.31Å; P37-R40 PolarHBondContact O-N 3.43Å; P37-E41 WeakPolarHBondContact O-CG 3.4Å; P37-E41 PolarHBondContact O-N 2.97Å |
| 38 | N | 84.4 | Confident | 84.8 | Confident | 36 Ų | 36 | 59 Ų | 59 | 19% | 0.193 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.8 | -33.6 | 178.5 | -58.3 | 4.4 | 0 | 0 | 0 | 112.6 | L6 L7 L9 L14 L36 | L6-N38 PolarHBondContact O-ND2 3.49Å; L7-N38 VanDerWaalsContact CA-ND2 3.29Å; L7-N38 WeakPolarHBondContact CA-ND2 3.37Å; L7-N38 PolarHBondContact O-ND2 2.91Å; L9-N38 PolarHBondContact O-ND2 3.41Å; L14-N38 HydrophobicContact CD2-CB 3.88Å; L14-N38 WeakPolarHBondContact CD2-O 3.34Å; L36-N38 VanDerWaalsContact C-N 3.33Å; L36-N38 PolarHBondContact O-N 3.32Å |
| 39 | V | 84.5 | Confident | 84.9 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -77.5 | -38.8 | 179.4 | 177.2 | 0 | 0 | 0 | 0 | 110.1 | L14 I33 L36 P37 E41 L42 Y51 L54 | L14-V39 HydrophobicContact CD1-CG2 4.28Å; L14-V39 HydrophobicContact CD2-CG2 4.22Å; I33-V39 HydrophobicContact CG2-CG2 4.39Å; I33-V39 WeakPolarHBondContact O-CB 3.3Å; I33-V39 WeakPolarHBondContact O-CG2 3.45Å; L36-V39 HydrophobicContact CB-CB 4.29Å; L36-V39 HydrophobicContact CB-CG2 4.05Å; L36-V39 HydrophobicContact CD1-CG2 4.39Å; L36-V39 PolarHBondContact O-N 2.98Å; P37-V39 PolarHBondContact O-N 3.31Å; V39-E41 VanDerWaalsContact C-N 3.29Å; V39-E41 PolarHBondContact O-N 3.5Å; V39-L42 VanDerWaalsContact O-CB 3.28Å; V39-L42 WeakPolarHBondContact O-CB 3.46Å; V39-L42 PolarHBondContact O-N 3.32Å; V39-L42 VanDerWaalsContact O-N 3.1Å; V39-Y51 HydrophobicContact CG1-CD2 3.94Å; V39-Y51 HydrophobicContact CG1-CE2 4.19Å; V39-Y51 WeakPolarHBondContact O-CD2 3.35Å; V39-L54 HydrophobicContact CG1-CD2 3.67Å |
| 40 | R | 84.9 | Confident | 84.8 | Confident | 133 Ų | 133 | 58.8 Ų | 58.8 | 50% | 0.502 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.7 | -33.7 | 172.5 | -73.2 | -167.3 | 175 | -176.7 | 2.1 | 113.2 | L34 L36 P37 L42 E43 | L34-R40 WeakPolarHBondContact O-CG 3.4Å; L36-R40 PolarHBondContact O-N 2.96Å; P37-R40 PolarHBondContact O-N 3.43Å; R40-L42 PolarHBondContact O-N 2.97Å; R40-E43 WeakPolarHBondContact O-CB 3.33Å; R40-E43 PolarHBondContact O-N 3.37Å; R40-E43 VanDerWaalsContact O-N 3.12Å |
| 41 | E | 84.3 | Confident | 84.8 | Confident | 137 Ų | 137 | 59.9 Ų | 59.9 | 64% | 0.64 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -62.2 | -27 | 174.5 | -73.5 | 179.8 | -176.6 | 0 | 0 | 112.8 | P37 V39 E43 N44 | P37-E41 WeakPolarHBondContact O-CG 3.4Å; P37-E41 PolarHBondContact O-N 2.97Å; V39-E41 VanDerWaalsContact C-N 3.29Å; V39-E41 PolarHBondContact O-N 3.5Å; E41-E43 PolarHBondContact O-N 2.92Å; E41-N44 PolarHBondContact O-N 2.88Å |
| 42 | L | 82.5 | Confident | 85 | Confident | 11 Ų | 11 | 63.5 Ų | 63.5 | 6% | 0.058 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -66.4 | -24.5 | 176.3 | -60.9 | 178.6 | 0 | 0 | 0 | 112.9 | L14 V39 R40 N44 G45 H47 A48 | L14-L42 HydrophobicContact CD2-CD1 3.63Å; L14-L42 HydrophobicContact CD2-CD2 4.12Å; L14-L42 HydrophobicContact CD2-CG 3.85Å; L14-L42 HydrophobicContact CG-CD1 3.87Å; V39-L42 VanDerWaalsContact O-CB 3.28Å; V39-L42 WeakPolarHBondContact O-CB 3.46Å; V39-L42 PolarHBondContact O-N 3.32Å; V39-L42 VanDerWaalsContact O-N 3.1Å; R40-L42 PolarHBondContact O-N 2.97Å; L42-N44 VanDerWaalsContact C-N 3.27Å; L42-N44 PolarHBondContact O-N 3.14Å; L42-G45 PolarHBondContact O-N 3.26Å; L42-G45 VanDerWaalsContact O-N 3.15Å; L42-H47 HydrophobicContact CD2-CB 4.12Å; L42-A48 VanDerWaalsContact O-CA 3.24Å; L42-A48 WeakPolarHBondContact O-CA 3.45Å; L42-A48 PolarHBondContact O-N 3.47Å |
| 43 | E | 83.7 | Confident | 85.2 | Confident | 99 Ų | 99 | 58.3 Ų | 58.3 | 46% | 0.463 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -58.4 | -39.5 | -179.8 | -174.7 | 172.3 | -152.4 | 0 | 0 | 112.1 | R40 E41 A48 Y51 | R40-E43 WeakPolarHBondContact O-CB 3.33Å; R40-E43 PolarHBondContact O-N 3.37Å; R40-E43 VanDerWaalsContact O-N 3.12Å; E41-E43 PolarHBondContact O-N 2.92Å; E43-A48 VanDerWaalsContact O-CB 3.27Å; E43-A48 WeakPolarHBondContact O-CB 3.41Å; E43-Y51 HydrophobicContact CB-CD1 3.62Å; E43-Y51 HydrophobicContact CB-CD2 4.37Å; E43-Y51 HydrophobicContact CB-CE1 3.68Å; E43-Y51 HydrophobicContact CB-CE2 4.42Å; E43-Y51 HydrophobicContact CB-CG 3.97Å; E43-Y51 VanDerWaalsContact CD-CE1 3.42Å; E43-Y51 HydrophobicContact CG-CD1 3.68Å; E43-Y51 HydrophobicContact CG-CE1 3.55Å |
| 44 | N | 82.3 | Confident | 85.4 | Confident | 149 Ų | 149 | 58.1 Ų | 58.1 | 80% | 0.797 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -97.1 | 3.9 | -178.8 | -62.4 | -59.1 | 0 | 0 | 0 | 112.9 | E41 L42 | E41-N44 PolarHBondContact O-N 2.88Å; L42-N44 VanDerWaalsContact C-N 3.27Å; L42-N44 PolarHBondContact O-N 3.14Å |
| 45 | G | 81.8 | Confident | 85.6 | Confident | 26 Ų | 26 | 60.7 Ų | 60.7 | 27% | 0.268 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -100.3 | -179.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L42 H47 A48 | L42-G45 PolarHBondContact O-N 3.26Å; L42-G45 VanDerWaalsContact O-N 3.15Å; G45-H47 PolarHBondContact O-N 3.32Å; G45-H47 VanDerWaalsContact O-N 3.11Å; G45-A48 WeakPolarHBondContact O-CB 3.43Å; G45-A48 PolarHBondContact O-N 3.11Å; G45-A48 VanDerWaalsContact O-N 3.14Å |
| 46 | P | 81.1 | Confident | 85.9 | Confident | 125 Ų | 125 | 55 Ų | 55 | 81% | 0.812 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -14.7 | 174 | 27.3 | -35 | 0 | 0 | 0 | 113.4 | ||
| 47 | H | 83.7 | Confident | 86.1 | Confident | 56 Ų | 56 | 53.8 Ų | 53.8 | 26% | 0.259 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 19.1 | 178 | -59.5 | -64.7 | 0 | 0 | 0 | 113.1 | S12 A15 L42 G45 P49 M50 Y51 | S12-H47 PolarHBondContact N-NE2 3.49Å; A15-H47 HydrophobicContact CB-CB 4.48Å; L42-H47 HydrophobicContact CD2-CB 4.12Å; G45-H47 PolarHBondContact O-N 3.32Å; G45-H47 VanDerWaalsContact O-N 3.11Å; H47-P49 VanDerWaalsContact C-N 3.26Å; H47-P49 VanDerWaalsContact O-N 3.17Å; H47-M50 WeakPolarHBondContact O-CB 3.41Å; H47-M50 PolarHBondContact O-N 3.42Å; H47-Y51 PolarHBondContact O-N 3.01Å |
| 48 | A | 85.2 | Confident | 86.3 | Confident | 19 Ų | 19 | 50.2 Ų | 50.2 | 16% | 0.157 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -48.7 | -37.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L42 E43 G45 M50 Y51 Q52 | L42-A48 VanDerWaalsContact O-CA 3.24Å; L42-A48 WeakPolarHBondContact O-CA 3.45Å; L42-A48 PolarHBondContact O-N 3.47Å; E43-A48 VanDerWaalsContact O-CB 3.27Å; E43-A48 WeakPolarHBondContact O-CB 3.41Å; G45-A48 WeakPolarHBondContact O-CB 3.43Å; G45-A48 PolarHBondContact O-N 3.11Å; G45-A48 VanDerWaalsContact O-N 3.14Å; A48-M50 PolarHBondContact O-N 2.91Å; A48-Y51 PolarHBondContact O-N 3.44Å; A48-Y51 VanDerWaalsContact O-N 3.16Å; A48-Q52 WeakPolarHBondContact O-CG 3.35Å; A48-Q52 PolarHBondContact O-N 2.89Å |
| 49 | P | 88.3 | Confident | 86.5 | Confident | 51 Ų | 51 | 51.7 Ų | 51.7 | 33% | 0.331 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.6 | -31.1 | 174.8 | -27.5 | 37.3 | 0 | 0 | 0 | 114.3 | H47 L53 P73 | H47-P49 VanDerWaalsContact C-N 3.26Å; H47-P49 VanDerWaalsContact O-N 3.17Å; P49-L53 WeakPolarHBondContact O-CB 3.47Å; P49-L53 PolarHBondContact O-N 2.7Å; P49-P73 HydrophobicContact CB-CG 4.2Å |
| 50 | M | 86.8 | Confident | 86.8 | Confident | 26 Ų | 26 | 52 Ų | 52 | 13% | 0.128 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -73.2 | -38.7 | 177 | -174.4 | 60.3 | 70.8 | 0 | 0 | 111.4 | A15 V18 H47 A48 L53 L54 P73 | A15-M50 HydrophobicContact CB-CG 4.2Å; V18-M50 HydrophobicContact CB-CG 4.21Å; V18-M50 HydrophobicContact CB-SD 4.4Å; V18-M50 HydrophobicContact CG1-CG 3.97Å; V18-M50 HydrophobicContact CG1-SD 3.91Å; H47-M50 WeakPolarHBondContact O-CB 3.41Å; H47-M50 PolarHBondContact O-N 3.42Å; A48-M50 PolarHBondContact O-N 2.91Å; M50-L53 WeakPolarHBondContact O-CB 3.42Å; M50-L53 PolarHBondContact O-N 2.98Å; M50-L53 HydrophobicContact SD-CD2 4.2Å; M50-L54 PolarHBondContact O-N 2.91Å; M50-P73 HydrophobicContact CE-CG 4.4Å |
| 51 | Y | 88.1 | Confident | 87.1 | Confident | 22 Ų | 22 | 47.2 Ų | 47.2 | 9% | 0.086 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 173.4 | 178.9 | -96.5 | 0 | 0 | 0 | 111.3 | L34 V39 E43 H47 A48 L53 L54 N55 | L34-Y51 HydrophobicContact CD1-CD2 3.99Å; L34-Y51 HydrophobicContact CD1-CE2 3.42Å; L34-Y51 VanDerWaalsContact CD1-CE2 3.42Å; L34-Y51 HydrophobicContact CG-CE2 4.14Å; V39-Y51 HydrophobicContact CG1-CD2 3.94Å; V39-Y51 HydrophobicContact CG1-CE2 4.19Å; V39-Y51 WeakPolarHBondContact O-CD2 3.35Å; E43-Y51 HydrophobicContact CB-CD1 3.62Å; E43-Y51 HydrophobicContact CB-CD2 4.37Å; E43-Y51 HydrophobicContact CB-CE1 3.68Å; E43-Y51 HydrophobicContact CB-CE2 4.42Å; E43-Y51 HydrophobicContact CB-CG 3.97Å; E43-Y51 VanDerWaalsContact CD-CE1 3.42Å; E43-Y51 HydrophobicContact CG-CD1 3.68Å; E43-Y51 HydrophobicContact CG-CE1 3.55Å; H47-Y51 PolarHBondContact O-N 3.01Å; A48-Y51 PolarHBondContact O-N 3.44Å; A48-Y51 VanDerWaalsContact O-N 3.16Å; Y51-L53 VanDerWaalsContact C-N 3.27Å; Y51-L53 PolarHBondContact O-N 3.26Å; Y51-L54 PolarHBondContact O-N 3.29Å; Y51-L54 VanDerWaalsContact O-N 3.17Å; Y51-N55 WeakPolarHBondContact O-CB 3.42Å; Y51-N55 PolarHBondContact O-N 2.84Å |
| 52 | Q | 88.6 | Confident | 87.4 | Confident | 91 Ų | 91 | 41.1 Ų | 41.1 | 43% | 0.425 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.3 | -37.1 | 174.9 | -69.3 | 175.8 | 7.5 | 0 | 0 | 112 | A48 N55 L56 L72 | A48-Q52 WeakPolarHBondContact O-CG 3.35Å; A48-Q52 PolarHBondContact O-N 2.89Å; Q52-N55 PolarHBondContact O-N 3.1Å; Q52-L56 WeakPolarHBondContact O-CB 3.37Å; Q52-L56 PolarHBondContact O-N 2.69Å; Q52-L72 HydrophobicContact CB-CD2 3.75Å |
| 53 | L | 90.4 | Very high | 87.8 | Confident | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.3 | -45.4 | 173.7 | -172.2 | 64 | 0 | 0 | 0 | 111.4 | L22 P49 M50 Y51 N55 L56 F57 Y65 L72 P73 L75 | L22-L53 HydrophobicContact CD1-CD2 3.88Å; L22-L53 HydrophobicContact CD1-CG 4.12Å; P49-L53 WeakPolarHBondContact O-CB 3.47Å; P49-L53 PolarHBondContact O-N 2.7Å; M50-L53 WeakPolarHBondContact O-CB 3.42Å; M50-L53 PolarHBondContact O-N 2.98Å; M50-L53 HydrophobicContact SD-CD2 4.2Å; Y51-L53 VanDerWaalsContact C-N 3.27Å; Y51-L53 PolarHBondContact O-N 3.26Å; L53-N55 VanDerWaalsContact C-N 3.34Å; L53-N55 PolarHBondContact O-N 3.46Å; L53-L56 HydrophobicContact CD1-CD2 4.3Å; L53-L56 VanDerWaalsContact O-CB 3.22Å; L53-L56 WeakPolarHBondContact O-CB 3.16Å; L53-L56 PolarHBondContact O-N 3.4Å; L53-L56 VanDerWaalsContact O-N 3.15Å; L53-F57 HydrophobicContact CD1-CD2 4.31Å; L53-F57 HydrophobicContact CD1-CE2 3.96Å; L53-F57 HydrophobicContact CG-CD2 4.31Å; L53-F57 HydrophobicContact CG-CE2 4.15Å; L53-F57 VanDerWaalsContact O-CD2 3.32Å; L53-F57 WeakPolarHBondContact O-CD2 3.42Å; L53-F57 PolarHBondContact O-N 3.48Å; L53-Y65 HydrophobicContact CD1-CD2 4.23Å; L53-Y65 HydrophobicContact CD1-CE2 4.24Å; L53-L72 HydrophobicContact CB-CD2 4.39Å; L53-L72 HydrophobicContact CD1-CD1 4.42Å; L53-P73 HydrophobicContact CD2-CB 4.44Å; L53-P73 HydrophobicContact CD2-CG 4.35Å; L53-L75 HydrophobicContact CD1-CD2 3.89Å; L53-L75 HydrophobicContact CD2-CD2 3.85Å; L53-L75 HydrophobicContact CG-CD2 4.36Å |
| 54 | L | 90.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.6 | -43.3 | 176.1 | -177.6 | 63.1 | 0 | 0 | 0 | 111.7 | V18 L22 F30 I33 L34 V39 M50 Y51 L56 F57 A58 | V18-L54 HydrophobicContact CG1-CB 4.3Å; V18-L54 HydrophobicContact CG1-CD1 4.35Å; V18-L54 HydrophobicContact CG1-CD2 4.39Å; L22-L54 HydrophobicContact CD2-CD1 3.96Å; F30-L54 HydrophobicContact CB-CD1 3.98Å; F30-L54 HydrophobicContact CD1-CD1 3.79Å; F30-L54 HydrophobicContact CG-CD1 4.11Å; I33-L54 HydrophobicContact CG2-CD2 4Å; L34-L54 HydrophobicContact CD1-CB 4.42Å; L34-L54 HydrophobicContact CD1-CD2 3.9Å; L34-L54 HydrophobicContact CD1-CG 4.01Å; V39-L54 HydrophobicContact CG1-CD2 3.67Å; M50-L54 PolarHBondContact O-N 2.91Å; Y51-L54 PolarHBondContact O-N 3.29Å; Y51-L54 VanDerWaalsContact O-N 3.17Å; L54-L56 PolarHBondContact O-N 2.78Å; L54-F57 PolarHBondContact O-N 3.4Å; L54-A58 PolarHBondContact O-N 2.98Å |
| 55 | N | 89.8 | Confident | 88.5 | Confident | 67 Ų | 67 | 33.2 Ų | 33.2 | 36% | 0.358 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.6 | -34.8 | 175.4 | -169.7 | 52.4 | 0 | 0 | 0 | 112.1 | L34 Y51 Q52 L53 A58 Y59 | L34-N55 HydrophobicContact CD1-CB 4.39Å; Y51-N55 WeakPolarHBondContact O-CB 3.42Å; Y51-N55 PolarHBondContact O-N 2.84Å; Q52-N55 PolarHBondContact O-N 3.1Å; L53-N55 VanDerWaalsContact C-N 3.34Å; L53-N55 PolarHBondContact O-N 3.46Å; N55-A58 PolarHBondContact O-N 2.83Å; N55-Y59 PolarHBondContact O-N 3.07Å; N55-Y59 VanDerWaalsContact OD1-CD2 3.22Å; N55-Y59 WeakPolarHBondContact OD1-CD2 3.49Å; N55-Y59 WeakPolarHBondContact OD1-CE2 3.37Å |
| 56 | L | 91.2 | Very high | 88.8 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.7 | -39.8 | 173.1 | -167.7 | 82 | 0 | 0 | 0 | 112.5 | Q52 L53 L54 A58 G60 D64 Y65 L72 L83 | Q52-L56 WeakPolarHBondContact O-CB 3.37Å; Q52-L56 PolarHBondContact O-N 2.69Å; L53-L56 HydrophobicContact CD1-CD2 4.3Å; L53-L56 VanDerWaalsContact O-CB 3.22Å; L53-L56 WeakPolarHBondContact O-CB 3.16Å; L53-L56 PolarHBondContact O-N 3.4Å; L53-L56 VanDerWaalsContact O-N 3.15Å; L54-L56 PolarHBondContact O-N 2.78Å; L56-A58 VanDerWaalsContact C-N 3.34Å; L56-G60 CarbonylContact O-C 3.36Å; L56-G60 WeakPolarHBondContact O-CA 3.28Å; L56-G60 PolarHBondContact O-N 3.42Å; L56-D64 HydrophobicContact CD1-CB 3.57Å; L56-Y65 HydrophobicContact CD2-CD2 3.9Å; L56-Y65 HydrophobicContact CD2-CG 4.23Å; L56-L72 HydrophobicContact CD2-CD1 4.02Å; L56-L83 HydrophobicContact CD2-CD2 3.91Å |
| 57 | F | 91 | Very high | 89.2 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.4 | -33.7 | 176.6 | -87.9 | -108.1 | 0 | 0 | 0 | 112.1 | L22 F30 L53 L54 L75 Q79 K82 L83 L86 | L22-F57 HydrophobicContact CD1-CD2 4.35Å; L22-F57 HydrophobicContact CD1-CE2 4.25Å; L22-F57 HydrophobicContact CD2-CB 3.97Å; L22-F57 HydrophobicContact CD2-CD1 3.78Å; L22-F57 HydrophobicContact CD2-CD2 4.07Å; L22-F57 HydrophobicContact CD2-CE1 4.26Å; L22-F57 HydrophobicContact CD2-CG 3.66Å; F30-F57 HydrophobicContact CD2-CB 3.99Å; F30-F57 HydrophobicContact CE2-CB 4.03Å; F30-F57 HydrophobicContact CE2-CD1 4.17Å; F30-F57 HydrophobicContact CG-CB 4.49Å; F30-F57 HydrophobicContact CZ-CD1 4.27Å; L53-F57 HydrophobicContact CD1-CD2 4.31Å; L53-F57 HydrophobicContact CD1-CE2 3.96Å; L53-F57 HydrophobicContact CG-CD2 4.31Å; L53-F57 HydrophobicContact CG-CE2 4.15Å; L53-F57 VanDerWaalsContact O-CD2 3.32Å; L53-F57 WeakPolarHBondContact O-CD2 3.42Å; L53-F57 PolarHBondContact O-N 3.48Å; L54-F57 PolarHBondContact O-N 3.4Å; F57-L75 HydrophobicContact CE2-CD1 4.5Å; F57-L75 HydrophobicContact CE2-CD2 4.04Å; F57-L75 HydrophobicContact CZ-CD2 4.18Å; F57-Q79 HydrophobicContact CZ-CB 4.12Å; F57-Q79 WeakPolarHBondContact CZ-O 3.36Å; F57-K82 HydrophobicContact CE1-CB 4.28Å; F57-K82 HydrophobicContact CE1-CD 4.35Å; F57-K82 HydrophobicContact CE1-CG 4.41Å; F57-L83 HydrophobicContact CD1-CD1 4.46Å; F57-L83 HydrophobicContact CD2-CD1 4.25Å; F57-L83 HydrophobicContact CE1-CB 4.02Å; F57-L83 HydrophobicContact CE2-CB 4.35Å; F57-L83 HydrophobicContact CE2-CD1 4.35Å; F57-L83 HydrophobicContact CE2-CD2 4.24Å; F57-L83 HydrophobicContact CG-CD1 4.33Å; F57-L83 HydrophobicContact CZ-CB 3.83Å; F57-L83 HydrophobicContact CZ-CD1 4.5Å; F57-L86 HydrophobicContact CB-CD1 4.34Å; F57-L86 HydrophobicContact CD1-CD1 3.61Å; F57-L86 HydrophobicContact CE1-CD1 4.34Å; F57-L86 HydrophobicContact CG-CD1 4.29Å; F57-L86 WeakPolarHBondContact O-CD1 3.28Å |
| 58 | A | 89.8 | Confident | 89.4 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.7 | -56.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F30 L54 N55 L56 D148 | F30-A58 HydrophobicContact CB-CB 4.14Å; L54-A58 PolarHBondContact O-N 2.98Å; N55-A58 PolarHBondContact O-N 2.83Å; L56-A58 VanDerWaalsContact C-N 3.34Å; A58-D148 WeakPolarHBondContact CA-OD2 3.07Å; A58-D148 HydrophobicContact CB-CB 4.11Å; A58-D148 WeakPolarHBondContact O-CB 3.5Å |
| 59 | Y | 89.6 | Confident | 89.3 | Confident | 67 Ų | 67 | 41.4 Ų | 41.4 | 26% | 0.263 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -116.6 | -20.4 | -166.3 | -50.9 | -62.8 | 0 | 0 | 0 | 115.2 | S31 L34 N55 R147 D148 L149 | S31-Y59 PolarHBondContact OG-OH 2.9Å; S31-Y59 VanDerWaalsContact OG-OH 3.13Å; L34-Y59 HydrophobicContact CD2-CE2 3.71Å; N55-Y59 PolarHBondContact O-N 3.07Å; N55-Y59 VanDerWaalsContact OD1-CD2 3.22Å; N55-Y59 WeakPolarHBondContact OD1-CD2 3.49Å; N55-Y59 WeakPolarHBondContact OD1-CE2 3.37Å; Y59-R147 PolarHBondContact O-NH1 2.7Å; Y59-R147 PolarHBondContact O-NH2 2.69Å; Y59-D148 HydrophobicContact CD1-CB 4.27Å; Y59-D148 HydrophobicContact CE1-CB 3.97Å; Y59-L149 WeakPolarHBondContact CE1-O 3.41Å |
| 60 | G | 89.1 | Confident | 89 | Confident | 7 Ų | 7 | 44.3 Ų | 44.3 | 7% | 0.072 | 24% | 0.236 | C | C | . | . | trans | -92 | -179.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L56 R147 | L56-G60 CarbonylContact O-C 3.36Å; L56-G60 WeakPolarHBondContact O-CA 3.28Å; L56-G60 PolarHBondContact O-N 3.42Å; G60-R147 PolarHBondContact O-NH1 2.98Å | ||
| 61 | T | 91 | Very high | 88.8 | Confident | 33 Ų | 33 | 46.1 Ų | 46.1 | 20% | 0.202 | 25% | 0.251 | C | S | . | . | trans | -121.5 | 173.8 | -179.7 | 66.3 | 0 | 0 | 0 | 0 | 111.9 | C63 D64 Y65 | T61-C63 VanDerWaalsContact C-N 3.31Å; T61-C63 PolarHBondContact O-N 3.11Å; T61-D64 WeakPolarHBondContact CB-OD2 3.42Å; T61-D64 PolarHBondContact N-OD2 3.33Å; T61-D64 WeakPolarHBondContact O-CB 3.44Å; T61-D64 PolarHBondContact O-N 2.92Å; T61-D64 VanDerWaalsContact OG1-CG 3.3Å; T61-D64 PolarHBondContact OG1-N 3.25Å; T61-D64 PolarHBondContact OG1-OD2 2.83Å; T61-Y65 PolarHBondContact O-N 3.4Å; T61-Y65 VanDerWaalsContact O-N 3.17Å | ||
| 62 | Y | 91.3 | Very high | 88.7 | Confident | 9 Ų | 9 | 45.8 Ų | 45.8 | 4% | 0.035 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.7 | -34.1 | 175.1 | -173.2 | -107.1 | 0 | 0 | 0 | 112.7 | D64 Y65 K66 R80 L83 R84 S87 L107 E108 | Y62-D64 VanDerWaalsContact C-N 3.32Å; Y62-D64 PolarHBondContact O-N 3.2Å; Y62-Y65 HydrophobicContact CE2-CD1 4.11Å; Y62-Y65 WeakPolarHBondContact O-CB 3.32Å; Y62-Y65 PolarHBondContact O-N 2.91Å; Y62-K66 HydrophobicContact CE1-CD 4.15Å; Y62-K66 HydrophobicContact CE1-CG 4.15Å; Y62-K66 PolarHBondContact O-N 3.41Å; Y62-R80 HydrophobicContact CE2-CG 3.67Å; Y62-L83 HydrophobicContact CD2-CD2 4.06Å; Y62-L83 HydrophobicContact CD2-CG 4.29Å; Y62-R84 HydrophobicContact CD1-CG 4.48Å; Y62-R84 HydrophobicContact CD2-CG 4.12Å; Y62-R84 HydrophobicContact CG-CG 4.08Å; Y62-S87 WeakPolarHBondContact CB-OG 3.38Å; Y62-S87 PolarHBondContact N-OG 3.5Å; Y62-L107 WeakPolarHBondContact CD1-O 3.49Å; Y62-L107 VanDerWaalsContact CE1-O 3.26Å; Y62-L107 WeakPolarHBondContact CE1-O 3.38Å; Y62-E108 HydrophobicContact CE1-CB 3.98Å |
| 63 | C | 90.1 | Very high | 88.5 | Confident | 32 Ų | 32 | 43.3 Ų | 43.3 | 22% | 0.216 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.7 | -44.2 | 172.5 | -73.4 | 0 | 0 | 0 | 0 | 111.3 | T61 Y65 K66 E67 Q106 | T61-C63 VanDerWaalsContact C-N 3.31Å; T61-C63 PolarHBondContact O-N 3.11Å; C63-Y65 VanDerWaalsContact C-N 3.27Å; C63-Y65 PolarHBondContact O-N 3.13Å; C63-K66 WeakPolarHBondContact O-CB 3.43Å; C63-K66 PolarHBondContact O-N 3.37Å; C63-E67 PolarHBondContact O-N 3.31Å; C63-E67 VanDerWaalsContact O-N 3.09Å; C63-Q106 PolarHBondContact SG-O 3.3Å; C63-Q106 PolarHBondContact SG-OE1 2.95Å |
| 64 | D | 90.7 | Very high | 88.3 | Confident | 45 Ų | 45 | 52.1 Ų | 52.1 | 24% | 0.241 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.4 | -33.5 | 177.9 | -62.9 | -53.4 | 0 | 0 | 0 | 112.7 | L56 T61 Y62 K66 R68 | L56-D64 HydrophobicContact CD1-CB 3.57Å; T61-D64 WeakPolarHBondContact CB-OD2 3.42Å; T61-D64 PolarHBondContact N-OD2 3.33Å; T61-D64 WeakPolarHBondContact O-CB 3.44Å; T61-D64 PolarHBondContact O-N 2.92Å; T61-D64 VanDerWaalsContact OG1-CG 3.3Å; T61-D64 PolarHBondContact OG1-N 3.25Å; T61-D64 PolarHBondContact OG1-OD2 2.83Å; Y62-D64 VanDerWaalsContact C-N 3.32Å; Y62-D64 PolarHBondContact O-N 3.2Å; D64-K66 VanDerWaalsContact C-N 3.35Å; D64-R68 PolarHBondContact O-N 3.49Å |
| 65 | Y | 91.4 | Very high | 88.2 | Confident | 17 Ų | 17 | 52.6 Ų | 52.6 | 7% | 0.067 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.6 | -46.6 | 171.4 | 177.2 | -111.6 | 0 | 0 | 0 | 111 | L53 L56 T61 Y62 C63 E67 R68 A69 L72 P73 L75 L83 | L53-Y65 HydrophobicContact CD1-CD2 4.23Å; L53-Y65 HydrophobicContact CD1-CE2 4.24Å; L56-Y65 HydrophobicContact CD2-CD2 3.9Å; L56-Y65 HydrophobicContact CD2-CG 4.23Å; T61-Y65 PolarHBondContact O-N 3.4Å; T61-Y65 VanDerWaalsContact O-N 3.17Å; Y62-Y65 HydrophobicContact CE2-CD1 4.11Å; Y62-Y65 WeakPolarHBondContact O-CB 3.32Å; Y62-Y65 PolarHBondContact O-N 2.91Å; C63-Y65 VanDerWaalsContact C-N 3.27Å; C63-Y65 PolarHBondContact O-N 3.13Å; Y65-E67 PolarHBondContact O-N 3.41Å; Y65-R68 CarbonylContact O-C 3.59Å; Y65-R68 VanDerWaalsContact O-C 3.25Å; Y65-R68 PolarHBondContact O-N 3.24Å; Y65-R68 VanDerWaalsContact O-N 3.14Å; Y65-A69 WeakPolarHBondContact O-CA 3.32Å; Y65-A69 PolarHBondContact O-N 3.01Å; Y65-L72 HydrophobicContact CD2-CB 4.43Å; Y65-L72 HydrophobicContact CD2-CD1 3.72Å; Y65-L72 HydrophobicContact CE2-CB 4.03Å; Y65-L72 HydrophobicContact CE2-CD1 4.17Å; Y65-P73 PolarHBondContact OH-O 2.91Å; Y65-P73 VanDerWaalsContact OH-O 3.06Å; Y65-L75 HydrophobicContact CD1-CD1 3.9Å; Y65-L75 HydrophobicContact CD2-CD1 3.74Å; Y65-L75 HydrophobicContact CD2-CG 4.22Å; Y65-L75 HydrophobicContact CE1-CD1 3.72Å; Y65-L75 HydrophobicContact CE1-CG 4.1Å; Y65-L75 HydrophobicContact CE2-CD1 3.58Å; Y65-L75 HydrophobicContact CE2-CD2 4.47Å; Y65-L75 HydrophobicContact CE2-CG 3.56Å; Y65-L75 HydrophobicContact CG-CD1 3.9Å; Y65-L75 VanDerWaalsContact CZ-CG 3.48Å; Y65-L75 PolarHBondContact OH-N 3.43Å; Y65-L75 VanDerWaalsContact OH-N 3.16Å; Y65-L83 HydrophobicContact CG-CD2 4.18Å |
| 66 | K | 88 | Confident | 88.2 | Confident | 86 Ų | 86 | 51.6 Ų | 51.6 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.6 | -39.5 | -175.3 | -70.7 | -136.7 | -66.7 | 148.2 | 0 | 112.9 | Y62 C63 D64 R68 A69 E108 | Y62-K66 HydrophobicContact CE1-CD 4.15Å; Y62-K66 HydrophobicContact CE1-CG 4.15Å; Y62-K66 PolarHBondContact O-N 3.41Å; C63-K66 WeakPolarHBondContact O-CB 3.43Å; C63-K66 PolarHBondContact O-N 3.37Å; D64-K66 VanDerWaalsContact C-N 3.35Å; K66-R68 PolarHBondContact O-N 3.2Å; K66-A69 WeakPolarHBondContact O-CB 3.47Å; K66-A69 PolarHBondContact O-N 3.45Å; K66-E108 WeakPolarHBondContact CD-OE2 3.43Å; K66-E108 VanDerWaalsContact CE-CD 3.45Å; K66-E108 WeakPolarHBondContact CE-OE2 3.39Å; K66-E108 IonicContact NZ-OE1 3.98Å; K66-E108 PolarHBondContact NZ-OE1 3.05Å; K66-E108 IonicContact NZ-OE2 2.69Å; K66-E108 PolarHBondContact NZ-OE2 3.13Å |
| 67 | E | 89.1 | Confident | 88.1 | Confident | 159 Ų | 159 | 56.3 Ų | 56.3 | 74% | 0.743 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.4 | -31.5 | 174.9 | -67.8 | -177.1 | -177.9 | 0 | 0 | 111.9 | C63 Y65 | C63-E67 PolarHBondContact O-N 3.31Å; C63-E67 VanDerWaalsContact O-N 3.09Å; Y65-E67 PolarHBondContact O-N 3.41Å |
| 68 | R | 88.1 | Confident | 88 | Confident | 104 Ų | 104 | 58.9 Ų | 58.9 | 39% | 0.392 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 14.8 | -179.8 | -65.4 | -172.2 | -77.5 | -111.3 | 9.3 | 114 | D64 Y65 K66 A70 S71 L72 | D64-R68 PolarHBondContact O-N 3.49Å; Y65-R68 CarbonylContact O-C 3.59Å; Y65-R68 VanDerWaalsContact O-C 3.25Å; Y65-R68 PolarHBondContact O-N 3.24Å; Y65-R68 VanDerWaalsContact O-N 3.14Å; K66-R68 PolarHBondContact O-N 3.2Å; R68-A70 PolarHBondContact O-N 2.93Å; R68-A70 VanDerWaalsContact O-N 3.11Å; R68-S71 PolarHBondContact O-N 2.91Å; R68-S71 PolarHBondContact O-OG 3.15Å; R68-L72 HydrophobicContact CB-CD1 3.7Å; R68-L72 HydrophobicContact CB-CG 4.04Å; R68-L72 WeakPolarHBondContact O-CG 3.42Å; R68-L72 PolarHBondContact O-N 3.27Å |
| 69 | A | 82.1 | Confident | 88 | Confident | 49 Ų | 49 | 59.1 Ų | 59.1 | 41% | 0.405 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -26.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y65 K66 | Y65-A69 WeakPolarHBondContact O-CA 3.32Å; Y65-A69 PolarHBondContact O-N 3.01Å; K66-A69 WeakPolarHBondContact O-CB 3.47Å; K66-A69 PolarHBondContact O-N 3.45Å |
| 70 | A | 82.5 | Confident | 88.1 | Confident | 112 Ų | 112 | 60.4 Ų | 60.4 | 93% | 0.926 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -24.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R68 | R68-A70 PolarHBondContact O-N 2.93Å; R68-A70 VanDerWaalsContact O-N 3.11Å |
| 71 | S | 83.1 | Confident | 88.2 | Confident | 63 Ų | 63 | 62.1 Ų | 62.1 | 44% | 0.441 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -16.3 | -178.2 | 55 | 0 | 0 | 0 | 0 | 113.5 | R68 | R68-S71 PolarHBondContact O-N 2.91Å; R68-S71 PolarHBondContact O-OG 3.15Å |
| 72 | L | 86.2 | Confident | 88.3 | Confident | 15 Ų | 15 | 61 Ų | 61 | 8% | 0.079 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -100.4 | 154.3 | -176.3 | -66.4 | 175.4 | 0 | 0 | 0 | 111.7 | Q52 L53 L56 Y65 R68 | Q52-L72 HydrophobicContact CB-CD2 3.75Å; L53-L72 HydrophobicContact CB-CD2 4.39Å; L53-L72 HydrophobicContact CD1-CD1 4.42Å; L56-L72 HydrophobicContact CD2-CD1 4.02Å; Y65-L72 HydrophobicContact CD2-CB 4.43Å; Y65-L72 HydrophobicContact CD2-CD1 3.72Å; Y65-L72 HydrophobicContact CE2-CB 4.03Å; Y65-L72 HydrophobicContact CE2-CD1 4.17Å; R68-L72 HydrophobicContact CB-CD1 3.7Å; R68-L72 HydrophobicContact CB-CG 4.04Å; R68-L72 WeakPolarHBondContact O-CG 3.42Å; R68-L72 PolarHBondContact O-N 3.27Å |
| 73 | P | 84.6 | Confident | 88.3 | Confident | 40 Ų | 40 | 60.6 Ų | 60.6 | 26% | 0.26 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -59 | 151.1 | 171.5 | -21.2 | 33.3 | 0 | 0 | 0 | 112.4 | P49 M50 L53 Y65 L75 | P49-P73 HydrophobicContact CB-CG 4.2Å; M50-P73 HydrophobicContact CE-CG 4.4Å; L53-P73 HydrophobicContact CD2-CB 4.44Å; L53-P73 HydrophobicContact CD2-CG 4.35Å; Y65-P73 PolarHBondContact OH-O 2.91Å; Y65-P73 VanDerWaalsContact OH-O 3.06Å; P73-L75 PolarHBondContact O-N 3.32Å |
| 74 | E | 86.4 | Confident | 88.5 | Confident | 187 Ų | 187 | 60.4 Ų | 60.4 | 87% | 0.874 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 128.8 | 172.6 | -70.1 | -166.9 | 163.8 | 0 | 0 | 110.7 | ||
| 75 | L | 87.4 | Confident | 88.5 | Confident | 9 Ų | 9 | 58.4 Ų | 58.4 | 5% | 0.047 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -81.4 | 134.9 | 178.3 | -72 | 179.8 | 0 | 0 | 0 | 111.6 | L53 F57 Y65 P73 Q79 R80 L83 | L53-L75 HydrophobicContact CD1-CD2 3.89Å; L53-L75 HydrophobicContact CD2-CD2 3.85Å; L53-L75 HydrophobicContact CG-CD2 4.36Å; F57-L75 HydrophobicContact CE2-CD1 4.5Å; F57-L75 HydrophobicContact CE2-CD2 4.04Å; F57-L75 HydrophobicContact CZ-CD2 4.18Å; Y65-L75 HydrophobicContact CD1-CD1 3.9Å; Y65-L75 HydrophobicContact CD2-CD1 3.74Å; Y65-L75 HydrophobicContact CD2-CG 4.22Å; Y65-L75 HydrophobicContact CE1-CD1 3.72Å; Y65-L75 HydrophobicContact CE1-CG 4.1Å; Y65-L75 HydrophobicContact CE2-CD1 3.58Å; Y65-L75 HydrophobicContact CE2-CD2 4.47Å; Y65-L75 HydrophobicContact CE2-CG 3.56Å; Y65-L75 HydrophobicContact CG-CD1 3.9Å; Y65-L75 VanDerWaalsContact CZ-CG 3.48Å; Y65-L75 PolarHBondContact OH-N 3.43Å; Y65-L75 VanDerWaalsContact OH-N 3.16Å; P73-L75 PolarHBondContact O-N 3.32Å; L75-Q79 HydrophobicContact CB-CB 4.41Å; L75-Q79 HydrophobicContact CD2-CB 3.84Å; L75-R80 HydrophobicContact CB-CB 4.44Å; L75-L83 HydrophobicContact CD1-CD2 4.02Å |
| 76 | T | 89.8 | Confident | 88.6 | Confident | 47 Ų | 47 | 57.6 Ų | 57.6 | 29% | 0.288 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 158 | 166.9 | 72.4 | 0 | 0 | 0 | 0 | 110.4 | E23 A78 Q79 R80 | E23-T76 VanDerWaalsContact OE1-CB 3.31Å; E23-T76 WeakPolarHBondContact OE1-CB 3.46Å; E23-T76 WeakPolarHBondContact OE1-CG2 3.38Å; E23-T76 PolarHBondContact OE1-OG1 3.44Å; T76-A78 PolarHBondContact O-N 2.86Å; T76-Q79 VanDerWaalsContact N-OE1 3.16Å; T76-Q79 PolarHBondContact O-N 2.9Å; T76-Q79 VanDerWaalsContact OG1-CG 3.31Å; T76-Q79 WeakPolarHBondContact OG1-CG 2.99Å; T76-Q79 PolarHBondContact OG1-N 3.33Å; T76-R80 WeakPolarHBondContact O-CB 3.4Å; T76-R80 PolarHBondContact O-N 3.34Å |
| 77 | P | 89.3 | Confident | 88.8 | Confident | 102 Ų | 102 | 53.7 Ų | 53.7 | 66% | 0.662 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -55.3 | -37.5 | 178.6 | -26.9 | 35.5 | 0 | 0 | 0 | 113.3 | R80 N81 | P77-R80 PolarHBondContact O-N 3.38Å; P77-N81 PolarHBondContact O-N 2.84Å |
| 78 | A | 89.4 | Confident | 88.9 | Confident | 54 Ų | 54 | 46.1 Ų | 46.1 | 45% | 0.446 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.2 | -48.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | E23 T76 R80 N81 K82 | E23-A78 HydrophobicContact CG-CB 4.47Å; T76-A78 PolarHBondContact O-N 2.86Å; A78-R80 VanDerWaalsContact C-N 3.27Å; A78-R80 PolarHBondContact O-N 2.9Å; A78-N81 PolarHBondContact O-N 3.41Å; A78-K82 WeakPolarHBondContact O-CB 3.18Å; A78-K82 PolarHBondContact O-N 3.17Å |
| 79 | Q | 90.1 | Very high | 89.1 | Confident | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.019 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.3 | -37.3 | 176.8 | -65.8 | 170.2 | -21.7 | 0 | 0 | 111.6 | S19 L22 E23 F57 L75 T76 K82 L83 | S19-Q79 PolarHBondContact O-NE2 2.8Å; S19-Q79 PolarHBondContact OG-NE2 3.22Å; S19-Q79 VanDerWaalsContact OG-NE2 3.11Å; L22-Q79 HydrophobicContact CB-CG 4.08Å; E23-Q79 HydrophobicContact CG-CG 3.49Å; E23-Q79 VanDerWaalsContact CG-CG 3.49Å; F57-Q79 HydrophobicContact CZ-CB 4.12Å; F57-Q79 WeakPolarHBondContact CZ-O 3.36Å; L75-Q79 HydrophobicContact CB-CB 4.41Å; L75-Q79 HydrophobicContact CD2-CB 3.84Å; T76-Q79 VanDerWaalsContact N-OE1 3.16Å; T76-Q79 PolarHBondContact O-N 2.9Å; T76-Q79 VanDerWaalsContact OG1-CG 3.31Å; T76-Q79 WeakPolarHBondContact OG1-CG 2.99Å; T76-Q79 PolarHBondContact OG1-N 3.33Å; Q79-K82 WeakPolarHBondContact O-CB 3.48Å; Q79-K82 PolarHBondContact O-N 2.84Å; Q79-L83 PolarHBondContact O-N 2.88Å |
| 80 | R | 91.2 | Very high | 89.4 | Confident | 94 Ų | 94 | 39.7 Ų | 39.7 | 36% | 0.355 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.9 | -46.9 | 176.3 | -171.9 | 179.2 | -58.8 | 176 | 5.6 | 112.1 | Y62 L75 T76 P77 A78 K82 L83 R84 | Y62-R80 HydrophobicContact CE2-CG 3.67Å; L75-R80 HydrophobicContact CB-CB 4.44Å; T76-R80 WeakPolarHBondContact O-CB 3.4Å; T76-R80 PolarHBondContact O-N 3.34Å; P77-R80 PolarHBondContact O-N 3.38Å; A78-R80 VanDerWaalsContact C-N 3.27Å; A78-R80 PolarHBondContact O-N 2.9Å; R80-K82 VanDerWaalsContact C-N 3.29Å; R80-K82 PolarHBondContact O-N 3.17Å; R80-L83 PolarHBondContact O-N 3.18Å; R80-R84 WeakPolarHBondContact O-CG 3.4Å; R80-R84 PolarHBondContact O-N 2.83Å |
| 81 | N | 91.2 | Very high | 89.9 | Confident | 43 Ų | 43 | 36 Ų | 36 | 23% | 0.23 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.5 | -40.1 | 176.5 | -74.3 | 0.4 | 0 | 0 | 0 | 111 | P77 A78 L83 R84 H85 L118 | P77-N81 PolarHBondContact O-N 2.84Å; A78-N81 PolarHBondContact O-N 3.41Å; N81-L83 PolarHBondContact O-N 2.91Å; N81-R84 CarbonylContact O-C 3.25Å; N81-R84 WeakPolarHBondContact O-CA 3.49Å; N81-R84 WeakPolarHBondContact O-CB 3.3Å; N81-R84 PolarHBondContact O-N 3.39Å; N81-R84 VanDerWaalsContact O-N 3.16Å; N81-H85 PolarHBondContact O-CD2 3.29Å; N81-H85 VanDerWaalsContact O-CG 3.3Å; N81-H85 PolarHBondContact O-N 3.11Å; N81-L118 HydrophobicContact CB-CD2 3.96Å |
| 82 | K | 91.9 | Very high | 90.2 | Very high | 11 Ų | 11 | 33.6 Ų | 33.6 | 5% | 0.048 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 175.6 | -164.8 | 178.9 | -173.3 | 173.4 | 0 | 113.1 | L22 T24 L27 Y28 F57 A78 Q79 R80 R84 H85 L86 | L22-K82 WeakPolarHBondContact O-CD 3.3Å; L22-K82 WeakPolarHBondContact O-CE 3.39Å; L22-K82 PolarHBondContact O-NZ 2.91Å; T24-K82 PolarHBondContact O-NZ 2.97Å; L27-K82 WeakPolarHBondContact O-CE 3.26Å; L27-K82 PolarHBondContact O-NZ 2.94Å; Y28-K82 HydrophobicContact CD1-CG 4.22Å; Y28-K82 HydrophobicContact CE1-CD 4.47Å; Y28-K82 HydrophobicContact CE1-CG 3.61Å; F57-K82 HydrophobicContact CE1-CB 4.28Å; F57-K82 HydrophobicContact CE1-CD 4.35Å; F57-K82 HydrophobicContact CE1-CG 4.41Å; A78-K82 WeakPolarHBondContact O-CB 3.18Å; A78-K82 PolarHBondContact O-N 3.17Å; Q79-K82 WeakPolarHBondContact O-CB 3.48Å; Q79-K82 PolarHBondContact O-N 2.84Å; R80-K82 VanDerWaalsContact C-N 3.29Å; R80-K82 PolarHBondContact O-N 3.17Å; K82-R84 VanDerWaalsContact C-N 3.28Å; K82-R84 PolarHBondContact O-N 3.34Å; K82-H85 WeakPolarHBondContact O-CB 3.37Å; K82-H85 PolarHBondContact O-N 2.95Å; K82-L86 WeakPolarHBondContact O-CG 3.47Å; K82-L86 PolarHBondContact O-N 3.12Å |
| 83 | L | 92.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.3 | -34.1 | 175.1 | -171.9 | 58.9 | 0 | 0 | 0 | 112.1 | L56 F57 Y62 Y65 L75 Q79 R80 N81 L86 S87 | L56-L83 HydrophobicContact CD2-CD2 3.91Å; F57-L83 HydrophobicContact CD1-CD1 4.46Å; F57-L83 HydrophobicContact CD2-CD1 4.25Å; F57-L83 HydrophobicContact CE1-CB 4.02Å; F57-L83 HydrophobicContact CE2-CB 4.35Å; F57-L83 HydrophobicContact CE2-CD1 4.35Å; F57-L83 HydrophobicContact CE2-CD2 4.24Å; F57-L83 HydrophobicContact CG-CD1 4.33Å; F57-L83 HydrophobicContact CZ-CB 3.83Å; F57-L83 HydrophobicContact CZ-CD1 4.5Å; Y62-L83 HydrophobicContact CD2-CD2 4.06Å; Y62-L83 HydrophobicContact CD2-CG 4.29Å; Y65-L83 HydrophobicContact CG-CD2 4.18Å; L75-L83 HydrophobicContact CD1-CD2 4.02Å; Q79-L83 PolarHBondContact O-N 2.88Å; R80-L83 PolarHBondContact O-N 3.18Å; N81-L83 PolarHBondContact O-N 2.91Å; L83-L86 HydrophobicContact CD1-CD1 4.42Å; L83-L86 PolarHBondContact O-N 3.35Å; L83-S87 WeakPolarHBondContact O-CB 3.43Å; L83-S87 PolarHBondContact O-N 3.44Å; L83-S87 PolarHBondContact O-OG 2.87Å |
| 84 | R | 93 | Very high | 90.4 | Very high | 28 Ų | 28 | 41.6 Ų | 41.6 | 11% | 0.106 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.1 | -44.3 | 170.7 | -72.6 | 169.2 | 168.2 | 171.7 | -9.6 | 111.5 | Y62 R80 N81 K82 L86 S87 I88 L107 E108 | Y62-R84 HydrophobicContact CD1-CG 4.48Å; Y62-R84 HydrophobicContact CD2-CG 4.12Å; Y62-R84 HydrophobicContact CG-CG 4.08Å; R80-R84 WeakPolarHBondContact O-CG 3.4Å; R80-R84 PolarHBondContact O-N 2.83Å; N81-R84 CarbonylContact O-C 3.25Å; N81-R84 WeakPolarHBondContact O-CA 3.49Å; N81-R84 WeakPolarHBondContact O-CB 3.3Å; N81-R84 PolarHBondContact O-N 3.39Å; N81-R84 VanDerWaalsContact O-N 3.16Å; K82-R84 VanDerWaalsContact C-N 3.28Å; K82-R84 PolarHBondContact O-N 3.34Å; R84-L86 PolarHBondContact O-N 3.32Å; R84-S87 WeakPolarHBondContact O-CB 3.49Å; R84-S87 PolarHBondContact O-N 3.48Å; R84-I88 WeakPolarHBondContact O-CG1 3.31Å; R84-I88 PolarHBondContact O-N 3.41Å; R84-L107 HydrophobicContact CB-CD2 3.92Å; R84-L107 HydrophobicContact CG-CB 4.28Å; R84-L107 HydrophobicContact CG-CD2 4.07Å; R84-L107 PolarHBondContact NE-O 2.94Å; R84-L107 VanDerWaalsContact NE-O 3.08Å; R84-L107 PolarHBondContact NH2-O 3.32Å; R84-E108 PolarHBondContact NH2-O 3.31Å |
| 85 | H | 92.1 | Very high | 90.5 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.009 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.6 | -47 | 173.8 | -61.8 | 162 | 0 | 0 | 0 | 111.8 | Y28 N81 K82 S87 I88 I89 L118 E121 I127 | Y28-H85 HydrophobicContact CE1-CB 4.16Å; N81-H85 PolarHBondContact O-CD2 3.29Å; N81-H85 VanDerWaalsContact O-CG 3.3Å; N81-H85 PolarHBondContact O-N 3.11Å; K82-H85 WeakPolarHBondContact O-CB 3.37Å; K82-H85 PolarHBondContact O-N 2.95Å; H85-S87 VanDerWaalsContact C-N 3.26Å; H85-S87 PolarHBondContact O-N 3.1Å; H85-I88 WeakPolarHBondContact O-CB 3.38Å; H85-I88 PolarHBondContact O-N 3.43Å; H85-I89 WeakPolarHBondContact O-CG1 3.49Å; H85-I89 PolarHBondContact O-N 3.37Å; H85-L118 PolarHBondContact NE2-O 2.91Å; H85-E121 IonicContact CE1-OE1 2.78Å; H85-E121 IonicContact CE1-OE2 3.9Å; H85-I127 HydrophobicContact CB-CD1 4.03Å |
| 86 | L | 92.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.2 | -36.1 | 176.2 | -70.4 | 165.4 | 0 | 0 | 0 | 112.7 | Y28 F30 F57 K82 L83 R84 I89 S90 R147 | Y28-L86 HydrophobicContact CD1-CD2 3.76Å; Y28-L86 HydrophobicContact CD1-CG 4.05Å; Y28-L86 HydrophobicContact CG-CD2 4.46Å; F30-L86 HydrophobicContact CE2-CD1 4.12Å; F57-L86 HydrophobicContact CB-CD1 4.34Å; F57-L86 HydrophobicContact CD1-CD1 3.61Å; F57-L86 HydrophobicContact CE1-CD1 4.34Å; F57-L86 HydrophobicContact CG-CD1 4.29Å; F57-L86 WeakPolarHBondContact O-CD1 3.28Å; K82-L86 WeakPolarHBondContact O-CG 3.47Å; K82-L86 PolarHBondContact O-N 3.12Å; L83-L86 HydrophobicContact CD1-CD1 4.42Å; L83-L86 PolarHBondContact O-N 3.35Å; R84-L86 PolarHBondContact O-N 3.32Å; L86-I89 HydrophobicContact CD2-CD1 4.28Å; L86-I89 PolarHBondContact O-N 3.31Å; L86-S90 PolarHBondContact O-N 2.92Å; L86-S90 VanDerWaalsContact O-N 3.1Å; L86-S90 PolarHBondContact O-OG 2.85Å; L86-R147 HydrophobicContact CD2-CG 4.08Å |
| 87 | S | 92.3 | Very high | 90.8 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 3% | 0.028 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.5 | -39.9 | 174.5 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | Y62 L83 R84 H85 S90 L91 | Y62-S87 WeakPolarHBondContact CB-OG 3.38Å; Y62-S87 PolarHBondContact N-OG 3.5Å; L83-S87 WeakPolarHBondContact O-CB 3.43Å; L83-S87 PolarHBondContact O-N 3.44Å; L83-S87 PolarHBondContact O-OG 2.87Å; R84-S87 WeakPolarHBondContact O-CB 3.49Å; R84-S87 PolarHBondContact O-N 3.48Å; H85-S87 VanDerWaalsContact C-N 3.26Å; H85-S87 PolarHBondContact O-N 3.1Å; S87-S90 WeakPolarHBondContact O-CB 3.15Å; S87-S90 PolarHBondContact O-N 2.93Å; S87-L91 WeakPolarHBondContact O-CG 3.26Å; S87-L91 PolarHBondContact O-N 3.23Å |
| 88 | I | 91.8 | Very high | 91 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.7 | -44.9 | 174.2 | -65.8 | 162.1 | 0 | 0 | 0 | 110.7 | R84 H85 S90 L91 A92 L98 L103 L107 L119 I128 | R84-I88 WeakPolarHBondContact O-CG1 3.31Å; R84-I88 PolarHBondContact O-N 3.41Å; H85-I88 WeakPolarHBondContact O-CB 3.38Å; H85-I88 PolarHBondContact O-N 3.43Å; I88-S90 PolarHBondContact O-N 2.7Å; I88-L91 PolarHBondContact O-N 3.42Å; I88-A92 WeakPolarHBondContact O-CB 3.35Å; I88-A92 PolarHBondContact O-N 3.45Å; I88-L98 HydrophobicContact CG2-CD1 4.42Å; I88-L103 HydrophobicContact CG1-CD2 4.14Å; I88-L107 HydrophobicContact CD1-CD1 3.79Å; I88-L107 HydrophobicContact CG1-CD1 3.74Å; I88-L107 HydrophobicContact CG1-CD2 4.21Å; I88-L119 HydrophobicContact CD1-CD2 4.08Å; I88-L119 HydrophobicContact CG2-CD2 4.31Å; I88-I128 HydrophobicContact CG2-CD1 4.42Å; I88-I128 HydrophobicContact CG2-CG2 4.4Å |
| 89 | I | 91.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.5 | -41.9 | 176.4 | -63.5 | 167.3 | 0 | 0 | 0 | 110.9 | H85 L86 A92 S93 I127 V145 R147 | H85-I89 WeakPolarHBondContact O-CG1 3.49Å; H85-I89 PolarHBondContact O-N 3.37Å; L86-I89 HydrophobicContact CD2-CD1 4.28Å; L86-I89 PolarHBondContact O-N 3.31Å; I89-A92 PolarHBondContact O-N 3.49Å; I89-S93 PolarHBondContact O-N 2.89Å; I89-S93 PolarHBondContact O-OG 2.97Å; I89-I127 HydrophobicContact CD1-CG2 3.26Å; I89-I127 HydrophobicContact CG1-CG2 3.54Å; I89-V145 WeakPolarHBondContact CG2-O 3.32Å; I89-R147 HydrophobicContact CG2-CB 4.18Å |
| 90 | S | 90.1 | Very high | 91.5 | Very high | 16 Ų | 16 | 39.5 Ų | 39.5 | 11% | 0.112 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.7 | -38.4 | -179.1 | -55.6 | 0 | 0 | 0 | 0 | 111.8 | L86 S87 I88 N94 R147 | L86-S90 PolarHBondContact O-N 2.92Å; L86-S90 VanDerWaalsContact O-N 3.1Å; L86-S90 PolarHBondContact O-OG 2.85Å; S87-S90 WeakPolarHBondContact O-CB 3.15Å; S87-S90 PolarHBondContact O-N 2.93Å; I88-S90 PolarHBondContact O-N 2.7Å; S90-N94 PolarHBondContact O-ND2 3.33Å; S90-R147 PolarHBondContact OG-NE 3.49Å; S90-R147 PolarHBondContact OG-NH1 2.76Å; S90-R147 PolarHBondContact OG-NH2 3.45Å |
| 91 | L | 91.2 | Very high | 91.6 | Very high | 35 Ų | 35 | 39.1 Ų | 39.1 | 18% | 0.183 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.3 | -43 | 173.1 | -68 | 171.6 | 0 | 0 | 0 | 111.4 | S87 I88 S93 N94 L95 L98 L102 L103 Q106 | S87-L91 WeakPolarHBondContact O-CG 3.26Å; S87-L91 PolarHBondContact O-N 3.23Å; I88-L91 PolarHBondContact O-N 3.42Å; L91-S93 PolarHBondContact O-N 3.32Å; L91-N94 PolarHBondContact O-N 2.81Å; L91-L95 PolarHBondContact O-N 3.23Å; L91-L98 HydrophobicContact CB-CD1 4.29Å; L91-L98 HydrophobicContact CB-CD2 3.72Å; L91-L102 HydrophobicContact CD2-CD2 4.45Å; L91-L103 HydrophobicContact CD1-CD2 3.83Å; L91-Q106 HydrophobicContact CD1-CB 4.15Å; L91-Q106 HydrophobicContact CD1-CG 4.24Å |
| 92 | A | 90.9 | Very high | 91.7 | Very high | 13 Ų | 13 | 39.2 Ų | 39.2 | 11% | 0.107 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.3 | -29.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I88 I89 N94 L95 L98 V141 | I88-A92 WeakPolarHBondContact O-CB 3.35Å; I88-A92 PolarHBondContact O-N 3.45Å; I89-A92 PolarHBondContact O-N 3.49Å; A92-N94 PolarHBondContact O-N 3.09Å; A92-L95 WeakPolarHBondContact CA-O 3.48Å; A92-L98 HydrophobicContact CB-CD1 4.15Å; A92-V141 HydrophobicContact CB-CB 4.23Å; A92-V141 HydrophobicContact CB-CG1 3.93Å; A92-V141 HydrophobicContact CB-CG2 4.17Å |
| 93 | S | 87.3 | Confident | 91.7 | Very high | 84 Ų | 84 | 38.7 Ų | 38.7 | 59% | 0.587 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -64.8 | -25.9 | 175.4 | -57.9 | 0 | 0 | 0 | 0 | 112.6 | I89 L91 | I89-S93 PolarHBondContact O-N 2.89Å; I89-S93 PolarHBondContact O-OG 2.97Å; L91-S93 PolarHBondContact O-N 3.32Å |
| 94 | N | 86.2 | Confident | 91.8 | Very high | 138 Ų | 138 | 40.6 Ų | 40.6 | 74% | 0.738 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -101.8 | -31.8 | -178.9 | -68.7 | -75.2 | 0 | 0 | 0 | 112.9 | S90 L91 A92 | S90-N94 PolarHBondContact O-ND2 3.33Å; L91-N94 PolarHBondContact O-N 2.81Å; A92-N94 PolarHBondContact O-N 3.09Å |
| 95 | L | 89.6 | Confident | 91.7 | Very high | 81 Ų | 81 | 46.2 Ų | 46.2 | 42% | 0.424 | 26% | 0.257 | S | S | . | . | trans | -133.6 | 123.2 | -172.8 | -64.6 | 174.3 | 0 | 0 | 0 | 110.7 | L91 A92 L98 L102 | L91-L95 PolarHBondContact O-N 3.23Å; A92-L95 WeakPolarHBondContact CA-O 3.48Å; L95-L98 HydrophobicContact CB-CD2 3.75Å; L95-L98 HydrophobicContact CD1-CD2 4.23Å; L95-L102 HydrophobicContact CD1-CD2 3.98Å | ||
| 96 | K | 89.9 | Confident | 91.6 | Very high | 166 Ų | 166 | 48.8 Ų | 48.8 | 72% | 0.722 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -69.6 | -36.5 | 174.6 | -69.9 | -164 | 173.5 | -168.9 | 0 | 113.5 | V141 | K96-V141 PolarHBondContact O-N 3.44Š|
| 97 | C | 93 | Very high | 91.5 | Very high | 59 Ų | 59 | 48.8 Ų | 48.8 | 40% | 0.399 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 112.5 | 177.7 | -56.4 | 0 | 0 | 0 | 0 | 108.1 | P99 V139 | C97-P99 WeakPolarHBondContact O-CD 3.18Å; C97-V139 WeakPolarHBondContact CA-O 3.46Å |
| 98 | L | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 113.6 | -178.4 | -65 | 170.7 | 0 | 0 | 0 | 109.9 | I88 L91 A92 L95 L103 Q138 V139 V141 | I88-L98 HydrophobicContact CG2-CD1 4.42Å; L91-L98 HydrophobicContact CB-CD1 4.29Å; L91-L98 HydrophobicContact CB-CD2 3.72Å; A92-L98 HydrophobicContact CB-CD1 4.15Å; L95-L98 HydrophobicContact CB-CD2 3.75Å; L95-L98 HydrophobicContact CD1-CD2 4.23Å; L98-L103 HydrophobicContact CB-CD1 4.05Å; L98-L103 HydrophobicContact CB-CD2 4.49Å; L98-L103 HydrophobicContact CB-CG 4.3Å; L98-L103 HydrophobicContact CD1-CD2 4.35Å; L98-Q138 CarbonylContact O-C 3.58Å; L98-Q138 VanDerWaalsContact O-CA 3.28Å; L98-Q138 WeakPolarHBondContact O-CA 3.46Å; L98-V139 HydrophobicContact CB-CG1 3.66Å; L98-V139 HydrophobicContact CD1-CG1 4.25Å; L98-V139 HydrophobicContact CG-CG1 4.47Å; L98-V139 PolarHBondContact N-O 3.17Å; L98-V139 PolarHBondContact O-N 3.27Å; L98-V141 HydrophobicContact CD1-CG2 3.98Å |
| 99 | P | 95 | Very high | 91.2 | Very high | 49 Ų | 49 | 53.8 Ų | 53.8 | 32% | 0.318 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 143.7 | 175.6 | -19.3 | 32.6 | 0 | 0 | 0 | 111.5 | C97 S101 L102 L103 | C97-P99 WeakPolarHBondContact O-CD 3.18Å; P99-S101 VanDerWaalsContact C-N 3.27Å; P99-S101 PolarHBondContact O-N 3.08Å; P99-L102 HydrophobicContact CB-CB 4.47Å; P99-L102 WeakPolarHBondContact O-CB 3.19Å; P99-L102 PolarHBondContact O-N 2.79Å; P99-L103 PolarHBondContact O-N 3.39Å |
| 100 | Y | 94.5 | Very high | 91 | Very high | 4 Ų | 4 | 62.8 Ų | 62.8 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.1 | -35.1 | 178.4 | -74.8 | 9.4 | 0 | 0 | 0 | 112 | L102 L103 L104 V112 L115 L119 Q134 Q137 V139 | Y100-L102 VanDerWaalsContact C-N 3.31Å; Y100-L102 PolarHBondContact O-N 3.07Å; Y100-L103 PolarHBondContact O-N 3.19Å; Y100-L104 WeakPolarHBondContact O-CB 3.36Å; Y100-L104 WeakPolarHBondContact O-CG 3.49Å; Y100-L104 PolarHBondContact O-N 3.29Å; Y100-V112 HydrophobicContact CD2-CG1 3.78Å; Y100-V112 HydrophobicContact CE2-CG1 3.81Å; Y100-L115 HydrophobicContact CD1-CD2 4.08Å; Y100-L115 HydrophobicContact CD2-CD2 4.33Å; Y100-L115 HydrophobicContact CG-CD2 3.89Å; Y100-L119 HydrophobicContact CE1-CD1 4.38Å; Y100-Q134 VanDerWaalsContact CE2-OE1 3.28Å; Y100-Q134 PolarHBondContact OH-OE1 3.1Å; Y100-Q137 WeakPolarHBondContact CB-O 3.34Å; Y100-Q137 WeakPolarHBondContact CD1-O 3.4Å; Y100-Q137 HydrophobicContact CD2-CB 4.21Å; Y100-Q137 HydrophobicContact CG-CB 4.3Å; Y100-Q137 PolarHBondContact N-O 3.23Å; Y100-V139 HydrophobicContact CE1-CB 4.33Å |
| 101 | S | 93.2 | Very high | 91 | Very high | 86 Ų | 86 | 66 Ų | 66 | 60% | 0.601 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -57.5 | -43.3 | 175.6 | 52.2 | 0 | 0 | 0 | 0 | 112.5 | P99 Q105 | P99-S101 VanDerWaalsContact C-N 3.27Å; P99-S101 PolarHBondContact O-N 3.08Å; S101-Q105 WeakPolarHBondContact O-CB 3.43Å; S101-Q105 PolarHBondContact O-N 2.78Å; S101-Q105 VanDerWaalsContact O-N 3.11Å |
| 102 | L | 93.2 | Very high | 91.1 | Very high | 45 Ų | 45 | 66.9 Ų | 66.9 | 24% | 0.236 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.7 | -46.3 | 176.6 | 179.3 | 64.4 | 0 | 0 | 0 | 111 | L91 L95 P99 Y100 Q105 Q106 | L91-L102 HydrophobicContact CD2-CD2 4.45Å; L95-L102 HydrophobicContact CD1-CD2 3.98Å; P99-L102 HydrophobicContact CB-CB 4.47Å; P99-L102 WeakPolarHBondContact O-CB 3.19Å; P99-L102 PolarHBondContact O-N 2.79Å; Y100-L102 VanDerWaalsContact C-N 3.31Å; Y100-L102 PolarHBondContact O-N 3.07Å; L102-Q105 PolarHBondContact O-N 3.01Å; L102-Q106 HydrophobicContact CD1-CG 3.9Å; L102-Q106 HydrophobicContact CG-CG 4.33Å; L102-Q106 WeakPolarHBondContact O-CB 2.99Å; L102-Q106 VanDerWaalsContact O-CG 3.26Å; L102-Q106 WeakPolarHBondContact O-CG 2.94Å; L102-Q106 PolarHBondContact O-N 2.81Å |
| 103 | L | 92.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 179.7 | -68.6 | 173.1 | 0 | 0 | 0 | 112.2 | I88 L91 L98 P99 Y100 Q105 Q106 L107 L115 L119 V139 | I88-L103 HydrophobicContact CG1-CD2 4.14Å; L91-L103 HydrophobicContact CD1-CD2 3.83Å; L98-L103 HydrophobicContact CB-CD1 4.05Å; L98-L103 HydrophobicContact CB-CD2 4.49Å; L98-L103 HydrophobicContact CB-CG 4.3Å; L98-L103 HydrophobicContact CD1-CD2 4.35Å; P99-L103 PolarHBondContact O-N 3.39Å; Y100-L103 PolarHBondContact O-N 3.19Å; L103-Q105 VanDerWaalsContact C-N 3.29Å; L103-Q105 PolarHBondContact O-N 3.33Å; L103-Q106 PolarHBondContact O-N 3.26Å; L103-L107 HydrophobicContact CB-CD1 4.31Å; L103-L107 HydrophobicContact CD2-CD1 4.3Å; L103-L107 WeakPolarHBondContact O-CB 3.49Å; L103-L107 WeakPolarHBondContact O-CG 3.42Å; L103-L107 PolarHBondContact O-N 2.69Å; L103-L115 HydrophobicContact CB-CD1 3.74Å; L103-L115 HydrophobicContact CB-CD2 3.86Å; L103-L115 HydrophobicContact CB-CG 4.48Å; L103-L115 HydrophobicContact CD1-CD1 4.13Å; L103-L115 HydrophobicContact CD1-CD2 4.3Å; L103-L115 HydrophobicContact CG-CD1 4.5Å; L103-L119 HydrophobicContact CD1-CD1 4.37Å; L103-L119 HydrophobicContact CD1-CD2 4.49Å; L103-V139 HydrophobicContact CD1-CG1 3.75Å |
| 104 | L | 93.2 | Very high | 91.4 | Very high | 41 Ų | 41 | 73.2 Ų | 73.2 | 22% | 0.215 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60 | -41.2 | 176.4 | -70.5 | 171.8 | 0 | 0 | 0 | 111.3 | Y100 E108 L109 V112 L115 | Y100-L104 WeakPolarHBondContact O-CB 3.36Å; Y100-L104 WeakPolarHBondContact O-CG 3.49Å; Y100-L104 PolarHBondContact O-N 3.29Å; L104-E108 VanDerWaalsContact O-CA 3.3Å; L104-E108 WeakPolarHBondContact O-CA 3.33Å; L104-E108 PolarHBondContact O-N 3.21Å; L104-E108 VanDerWaalsContact O-N 3.12Å; L104-L109 HydrophobicContact CD2-CB 3.74Å; L104-L109 PolarHBondContact O-N 2.94Å; L104-V112 HydrophobicContact CD1-CG2 4.29Å; L104-L115 HydrophobicContact CD2-CB 4.07Å; L104-L115 HydrophobicContact CD2-CD2 4.09Å; L104-L115 HydrophobicContact CG-CD2 4.1Å |
| 105 | Q | 92.1 | Very high | 91.7 | Very high | 146 Ų | 146 | 66.6 Ų | 66.6 | 68% | 0.682 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -68.3 | -49.2 | 177.7 | -176.9 | -179.9 | -19.2 | 0 | 0 | 112.1 | S101 L102 L103 | S101-Q105 WeakPolarHBondContact O-CB 3.43Å; S101-Q105 PolarHBondContact O-N 2.78Å; S101-Q105 VanDerWaalsContact O-N 3.11Å; L102-Q105 PolarHBondContact O-N 3.01Å; L103-Q105 VanDerWaalsContact C-N 3.29Å; L103-Q105 PolarHBondContact O-N 3.33Å |
| 106 | Q | 90 | Very high | 91.9 | Very high | 55 Ų | 55 | 64.1 Ų | 64.1 | 26% | 0.257 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -72.9 | -29.9 | -174.8 | -68.3 | -68.5 | -31.2 | 0 | 0 | 113.1 | C63 L91 L102 L103 | C63-Q106 PolarHBondContact SG-O 3.3Å; C63-Q106 PolarHBondContact SG-OE1 2.95Å; L91-Q106 HydrophobicContact CD1-CB 4.15Å; L91-Q106 HydrophobicContact CD1-CG 4.24Å; L102-Q106 HydrophobicContact CD1-CG 3.9Å; L102-Q106 HydrophobicContact CG-CG 4.33Å; L102-Q106 WeakPolarHBondContact O-CB 2.99Å; L102-Q106 VanDerWaalsContact O-CG 3.26Å; L102-Q106 WeakPolarHBondContact O-CG 2.94Å; L102-Q106 PolarHBondContact O-N 2.81Å; L103-Q106 PolarHBondContact O-N 3.26Å |
| 107 | L | 90.4 | Very high | 92 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -97.6 | -3.6 | -178.9 | -53.3 | 176 | 0 | 0 | 0 | 113.1 | Y62 R84 I88 L103 L109 L115 | Y62-L107 WeakPolarHBondContact CD1-O 3.49Å; Y62-L107 VanDerWaalsContact CE1-O 3.26Å; Y62-L107 WeakPolarHBondContact CE1-O 3.38Å; R84-L107 HydrophobicContact CB-CD2 3.92Å; R84-L107 HydrophobicContact CG-CB 4.28Å; R84-L107 HydrophobicContact CG-CD2 4.07Å; R84-L107 PolarHBondContact NE-O 2.94Å; R84-L107 VanDerWaalsContact NE-O 3.08Å; R84-L107 PolarHBondContact NH2-O 3.32Å; I88-L107 HydrophobicContact CD1-CD1 3.79Å; I88-L107 HydrophobicContact CG1-CD1 3.74Å; I88-L107 HydrophobicContact CG1-CD2 4.21Å; L103-L107 HydrophobicContact CB-CD1 4.31Å; L103-L107 HydrophobicContact CD2-CD1 4.3Å; L103-L107 WeakPolarHBondContact O-CB 3.49Å; L103-L107 WeakPolarHBondContact O-CG 3.42Å; L103-L107 PolarHBondContact O-N 2.69Å; L107-L109 HydrophobicContact CB-CD1 3.81Å; L107-L109 HydrophobicContact CB-CG 3.89Å; L107-L109 HydrophobicContact CD1-CD1 4Å; L107-L115 HydrophobicContact CD1-CD1 3.92Å |
| 108 | E | 89.1 | Confident | 92 | Very high | 98 Ų | 98 | 57.1 Ų | 57.1 | 46% | 0.458 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.2 | 61.5 | -171.6 | -164.1 | -173.2 | -146.7 | 0 | 0 | 112.2 | Y62 K66 R84 L104 | Y62-E108 HydrophobicContact CE1-CB 3.98Å; K66-E108 WeakPolarHBondContact CD-OE2 3.43Å; K66-E108 VanDerWaalsContact CE-CD 3.45Å; K66-E108 WeakPolarHBondContact CE-OE2 3.39Å; K66-E108 IonicContact NZ-OE1 3.98Å; K66-E108 PolarHBondContact NZ-OE1 3.05Å; K66-E108 IonicContact NZ-OE2 2.69Å; K66-E108 PolarHBondContact NZ-OE2 3.13Å; R84-E108 PolarHBondContact NH2-O 3.31Å; L104-E108 VanDerWaalsContact O-CA 3.3Å; L104-E108 WeakPolarHBondContact O-CA 3.33Å; L104-E108 PolarHBondContact O-N 3.21Å; L104-E108 VanDerWaalsContact O-N 3.12Å |
| 109 | L | 88.7 | Confident | 91.9 | Very high | 12 Ų | 12 | 57.1 Ų | 57.1 | 6% | 0.063 | 28% | 0.283 | C | S | . | . | trans | -104.3 | 137.2 | 176.5 | -65 | 170.2 | 0 | 0 | 0 | 109 | L104 L107 E114 L115 L118 | L104-L109 HydrophobicContact CD2-CB 3.74Å; L104-L109 PolarHBondContact O-N 2.94Å; L107-L109 HydrophobicContact CB-CD1 3.81Å; L107-L109 HydrophobicContact CB-CG 3.89Å; L107-L109 HydrophobicContact CD1-CD1 4Å; L109-E114 HydrophobicContact CD2-CB 4.34Å; L109-L115 HydrophobicContact CD1-CB 3.82Å; L109-L115 HydrophobicContact CD1-CD1 3.79Å; L109-L115 HydrophobicContact CD1-CG 4.42Å; L109-L118 HydrophobicContact CD1-CD1 3.66Å; L109-L118 HydrophobicContact CD2-CD1 3.78Å; L109-L118 HydrophobicContact CG-CD1 4.34Å | ||
| 110 | K | 87.3 | Confident | 91.8 | Very high | 190 Ų | 190 | 57.9 Ų | 57.9 | 83% | 0.826 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -81.9 | -31.6 | -177.7 | -64.4 | 179.7 | -178.9 | 176.6 | 0 | 111.7 | ||
| 111 | N | 90.8 | Very high | 91.7 | Very high | 83 Ų | 83 | 61.7 Ų | 61.7 | 44% | 0.444 | 30% | 0.301 | S | S | . | . | trans | -128.8 | 142 | -165.7 | -56.9 | -31 | 0 | 0 | 0 | 110.5 | R113 E114 L115 | N111-R113 PolarHBondContact O-N 3.43Å; N111-E114 HydrophobicContact CB-CG 4.3Å; N111-E114 PolarHBondContact ND2-OE1 3.02Å; N111-E114 PolarHBondContact O-N 3.26Å; N111-L115 PolarHBondContact O-N 3.23Å | ||
| 112 | V | 91.4 | Very high | 91.6 | Very high | 54 Ų | 54 | 57.7 Ų | 57.7 | 33% | 0.327 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.9 | -33.8 | 172.5 | 178.7 | 0 | 0 | 0 | 0 | 111 | Y100 L104 E114 L115 E116 | Y100-V112 HydrophobicContact CD2-CG1 3.78Å; Y100-V112 HydrophobicContact CE2-CG1 3.81Å; L104-V112 HydrophobicContact CD1-CG2 4.29Å; V112-E114 PolarHBondContact O-N 2.91Å; V112-L115 WeakPolarHBondContact O-CB 3.45Å; V112-L115 PolarHBondContact O-N 3.31Å; V112-L115 VanDerWaalsContact O-N 3.17Å; V112-E116 HydrophobicContact CG1-CG 4.23Å; V112-E116 WeakPolarHBondContact CG1-OE1 3.36Å; V112-E116 WeakPolarHBondContact O-CG 3.47Å; V112-E116 PolarHBondContact O-N 3.19Å |
| 113 | R | 92.5 | Very high | 91.5 | Very high | 147 Ų | 147 | 57.8 Ų | 57.8 | 56% | 0.555 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -61 | -44.9 | 179.3 | -177.3 | 63.8 | -158.2 | 172.2 | -2 | 113 | N111 L115 E116 D117 | N111-R113 PolarHBondContact O-N 3.43Å; R113-L115 VanDerWaalsContact C-N 3.28Å; R113-L115 PolarHBondContact O-N 3.49Å; R113-E116 IonicContact NH1-OE2 3.43Å; R113-E116 PolarHBondContact NH1-OE2 2.93Å; R113-E116 PolarHBondContact O-N 2.85Å; R113-D117 IonicContact CZ-OD1 3.14Å; R113-D117 IonicContact CZ-OD2 3.83Å; R113-D117 IonicContact NE-OD1 3.27Å; R113-D117 PolarHBondContact NE-OD1 2.92Å; R113-D117 IonicContact NE-OD2 3.15Å; R113-D117 PolarHBondContact NE-OD2 3.32Å; R113-D117 VanDerWaalsContact NE-OD2 3.15Å; R113-D117 IonicContact NH2-OD1 2.7Å; R113-D117 PolarHBondContact NH2-OD1 3.13Å; R113-D117 IonicContact NH2-OD2 3.82Å; R113-D117 PolarHBondContact O-N 2.9Å |
| 114 | E | 92.1 | Very high | 91.4 | Very high | 83 Ų | 83 | 66.9 Ų | 66.9 | 39% | 0.388 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.5 | -35.2 | 177.4 | -69.5 | 169 | -150.7 | 0 | 0 | 111.4 | L109 N111 V112 L118 | L109-E114 HydrophobicContact CD2-CB 4.34Å; N111-E114 HydrophobicContact CB-CG 4.3Å; N111-E114 PolarHBondContact ND2-OE1 3.02Å; N111-E114 PolarHBondContact O-N 3.26Å; V112-E114 PolarHBondContact O-N 2.91Å; E114-L118 WeakPolarHBondContact O-CG 3.5Å; E114-L118 PolarHBondContact O-N 2.86Å; E114-L118 VanDerWaalsContact O-N 3.09Å |
| 115 | L | 93.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.2 | -47.3 | 173.6 | 174.4 | 64.2 | 0 | 0 | 0 | 111.6 | Y100 L103 L104 L107 L109 N111 V112 R113 D117 L118 L119 | Y100-L115 HydrophobicContact CD1-CD2 4.08Å; Y100-L115 HydrophobicContact CD2-CD2 4.33Å; Y100-L115 HydrophobicContact CG-CD2 3.89Å; L103-L115 HydrophobicContact CB-CD1 3.74Å; L103-L115 HydrophobicContact CB-CD2 3.86Å; L103-L115 HydrophobicContact CB-CG 4.48Å; L103-L115 HydrophobicContact CD1-CD1 4.13Å; L103-L115 HydrophobicContact CD1-CD2 4.3Å; L103-L115 HydrophobicContact CG-CD1 4.5Å; L104-L115 HydrophobicContact CD2-CB 4.07Å; L104-L115 HydrophobicContact CD2-CD2 4.09Å; L104-L115 HydrophobicContact CG-CD2 4.1Å; L107-L115 HydrophobicContact CD1-CD1 3.92Å; L109-L115 HydrophobicContact CD1-CB 3.82Å; L109-L115 HydrophobicContact CD1-CD1 3.79Å; L109-L115 HydrophobicContact CD1-CG 4.42Å; N111-L115 PolarHBondContact O-N 3.23Å; V112-L115 WeakPolarHBondContact O-CB 3.45Å; V112-L115 PolarHBondContact O-N 3.31Å; V112-L115 VanDerWaalsContact O-N 3.17Å; R113-L115 VanDerWaalsContact C-N 3.28Å; R113-L115 PolarHBondContact O-N 3.49Å; L115-D117 VanDerWaalsContact C-N 3.35Å; L115-D117 PolarHBondContact O-N 3.04Å; L115-L118 PolarHBondContact O-N 3.41Å; L115-L119 HydrophobicContact CD1-CD1 4.11Å; L115-L119 HydrophobicContact CD1-CG 4.17Å; L115-L119 HydrophobicContact CG-CD1 3.98Å; L115-L119 HydrophobicContact CG-CG 4.45Å; L115-L119 WeakPolarHBondContact O-CB 3.21Å; L115-L119 VanDerWaalsContact O-CG 3.31Å; L115-L119 WeakPolarHBondContact O-CG 3.43Å; L115-L119 PolarHBondContact O-N 2.96Å |
| 116 | E | 93.4 | Very high | 90.9 | Very high | 29 Ų | 29 | 66 Ų | 66 | 14% | 0.136 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 176.7 | -73.2 | 172.3 | -163.3 | 0 | 0 | 111.4 | V112 R113 L118 L119 I120 L132 Q134 | V112-E116 HydrophobicContact CG1-CG 4.23Å; V112-E116 WeakPolarHBondContact CG1-OE1 3.36Å; V112-E116 WeakPolarHBondContact O-CG 3.47Å; V112-E116 PolarHBondContact O-N 3.19Å; R113-E116 IonicContact NH1-OE2 3.43Å; R113-E116 PolarHBondContact NH1-OE2 2.93Å; R113-E116 PolarHBondContact O-N 2.85Å; E116-L118 VanDerWaalsContact C-N 3.32Å; E116-L118 PolarHBondContact O-N 3.36Å; E116-L119 PolarHBondContact O-N 3.14Å; E116-I120 WeakPolarHBondContact O-CB 3.33Å; E116-I120 WeakPolarHBondContact O-CD1 3.44Å; E116-I120 WeakPolarHBondContact O-CG1 3.45Å; E116-I120 PolarHBondContact O-N 3.34Å; E116-L132 HydrophobicContact CB-CD2 4.36Å; E116-L132 HydrophobicContact CG-CD2 4.17Å; E116-Q134 PolarHBondContact OE1-NE2 3.47Å; E116-Q134 PolarHBondContact OE1-OE1 3.44Å |
| 117 | D | 93.3 | Very high | 90.9 | Very high | 69 Ų | 69 | 63.4 Ų | 63.4 | 37% | 0.369 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 179 | -71.9 | -33.5 | 0 | 0 | 0 | 111.3 | R113 L115 I120 E121 | R113-D117 IonicContact CZ-OD1 3.14Å; R113-D117 IonicContact CZ-OD2 3.83Å; R113-D117 IonicContact NE-OD1 3.27Å; R113-D117 PolarHBondContact NE-OD1 2.92Å; R113-D117 IonicContact NE-OD2 3.15Å; R113-D117 PolarHBondContact NE-OD2 3.32Å; R113-D117 VanDerWaalsContact NE-OD2 3.15Å; R113-D117 IonicContact NH2-OD1 2.7Å; R113-D117 PolarHBondContact NH2-OD1 3.13Å; R113-D117 IonicContact NH2-OD2 3.82Å; R113-D117 PolarHBondContact O-N 2.9Å; L115-D117 VanDerWaalsContact C-N 3.35Å; L115-D117 PolarHBondContact O-N 3.04Å; D117-I120 PolarHBondContact O-N 2.82Å; D117-E121 WeakPolarHBondContact O-CB 3.49Å; D117-E121 PolarHBondContact O-N 3.36Å |
| 118 | L | 92.3 | Very high | 90.9 | Very high | 9 Ų | 9 | 63.6 Ų | 63.6 | 5% | 0.047 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.6 | -40.8 | 173.4 | -75.8 | 169.3 | 0 | 0 | 0 | 113 | N81 H85 L109 E114 L115 E116 I120 E121 A122 | N81-L118 HydrophobicContact CB-CD2 3.96Å; H85-L118 PolarHBondContact NE2-O 2.91Å; L109-L118 HydrophobicContact CD1-CD1 3.66Å; L109-L118 HydrophobicContact CD2-CD1 3.78Å; L109-L118 HydrophobicContact CG-CD1 4.34Å; E114-L118 WeakPolarHBondContact O-CG 3.5Å; E114-L118 PolarHBondContact O-N 2.86Å; E114-L118 VanDerWaalsContact O-N 3.09Å; L115-L118 PolarHBondContact O-N 3.41Å; E116-L118 VanDerWaalsContact C-N 3.32Å; E116-L118 PolarHBondContact O-N 3.36Å; L118-I120 VanDerWaalsContact C-N 3.33Å; L118-E121 PolarHBondContact O-N 3.47Å; L118-A122 WeakPolarHBondContact O-CB 3.4Å; L118-A122 PolarHBondContact O-N 3.41Å |
| 119 | L | 92.5 | Very high | 91 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 176.3 | -72.9 | 171.1 | 0 | 0 | 0 | 111 | I88 Y100 L103 L115 E116 A122 V123 I128 L132 V139 | I88-L119 HydrophobicContact CD1-CD2 4.08Å; I88-L119 HydrophobicContact CG2-CD2 4.31Å; Y100-L119 HydrophobicContact CE1-CD1 4.38Å; L103-L119 HydrophobicContact CD1-CD1 4.37Å; L103-L119 HydrophobicContact CD1-CD2 4.49Å; L115-L119 HydrophobicContact CD1-CD1 4.11Å; L115-L119 HydrophobicContact CD1-CG 4.17Å; L115-L119 HydrophobicContact CG-CD1 3.98Å; L115-L119 HydrophobicContact CG-CG 4.45Å; L115-L119 WeakPolarHBondContact O-CB 3.21Å; L115-L119 VanDerWaalsContact O-CG 3.31Å; L115-L119 WeakPolarHBondContact O-CG 3.43Å; L115-L119 PolarHBondContact O-N 2.96Å; E116-L119 PolarHBondContact O-N 3.14Å; L119-A122 PolarHBondContact O-N 3.46Å; L119-V123 WeakPolarHBondContact O-CG2 3.34Å; L119-V123 PolarHBondContact O-N 3.46Å; L119-I128 HydrophobicContact CD2-CD1 3.95Å; L119-L132 HydrophobicContact CB-CD2 4.17Å; L119-L132 HydrophobicContact CD1-CD2 4.21Å; L119-L132 HydrophobicContact CD1-CG 4.41Å; L119-V139 HydrophobicContact CD1-CB 4.26Å; L119-V139 HydrophobicContact CD1-CG1 4.27Å; L119-V139 HydrophobicContact CD2-CG1 4.27Å |
| 120 | I | 93 | Very high | 91.2 | Very high | 64 Ų | 64 | 64.3 Ų | 64.3 | 33% | 0.328 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.1 | -48.3 | 174.3 | -69.4 | 163.7 | 0 | 0 | 0 | 109.4 | E116 D117 L118 A122 V123 Y124 | E116-I120 WeakPolarHBondContact O-CB 3.33Å; E116-I120 WeakPolarHBondContact O-CD1 3.44Å; E116-I120 WeakPolarHBondContact O-CG1 3.45Å; E116-I120 PolarHBondContact O-N 3.34Å; D117-I120 PolarHBondContact O-N 2.82Å; L118-I120 VanDerWaalsContact C-N 3.33Å; I120-A122 VanDerWaalsContact C-N 3.29Å; I120-A122 PolarHBondContact O-N 3.08Å; I120-V123 PolarHBondContact O-N 3.32Å; I120-V123 VanDerWaalsContact O-N 3.14Å; I120-Y124 HydrophobicContact CG2-CD2 3.6Å; I120-Y124 HydrophobicContact CG2-CE2 3.54Å; I120-Y124 WeakPolarHBondContact O-CD2 3.45Å; I120-Y124 PolarHBondContact O-N 3.48Å |
| 121 | E | 91.4 | Very high | 91.4 | Very high | 85 Ų | 85 | 62.2 Ų | 62.2 | 40% | 0.397 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -55.9 | -44.8 | 176 | -170.6 | -179.6 | 170.8 | 0 | 0 | 111.6 | H85 D117 L118 V123 Y124 C125 | H85-E121 IonicContact CE1-OE1 2.78Å; H85-E121 IonicContact CE1-OE2 3.9Å; D117-E121 WeakPolarHBondContact O-CB 3.49Å; D117-E121 PolarHBondContact O-N 3.36Å; L118-E121 PolarHBondContact O-N 3.47Å; E121-V123 VanDerWaalsContact C-N 3.34Å; E121-V123 PolarHBondContact O-N 3.19Å; E121-Y124 PolarHBondContact O-N 3.48Å; E121-C125 PolarHBondContact O-N 3.16Å; E121-C125 PolarHBondContact O-SG 2.99Å |
| 122 | A | 90.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.8 | -36.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L118 L119 I120 I127 I128 | L118-A122 WeakPolarHBondContact O-CB 3.4Å; L118-A122 PolarHBondContact O-N 3.41Å; L119-A122 PolarHBondContact O-N 3.46Å; I120-A122 VanDerWaalsContact C-N 3.29Å; I120-A122 PolarHBondContact O-N 3.08Å; A122-I127 HydrophobicContact CB-CB 4.43Å; A122-I127 HydrophobicContact CB-CD1 4.19Å; A122-I127 WeakPolarHBondContact O-CB 3.38Å; A122-I127 PolarHBondContact O-N 3.46Å; A122-I128 HydrophobicContact CB-CD1 3.84Å; A122-I128 HydrophobicContact CB-CG1 3.8Å; A122-I128 PolarHBondContact O-N 2.85Å |
| 123 | V | 91.4 | Very high | 91.6 | Very high | 47 Ų | 47 | 60.6 Ų | 60.6 | 29% | 0.285 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -68.1 | -42.5 | 172.8 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | L119 I120 E121 C125 D126 I128 | L119-V123 WeakPolarHBondContact O-CG2 3.34Å; L119-V123 PolarHBondContact O-N 3.46Å; I120-V123 PolarHBondContact O-N 3.32Å; I120-V123 VanDerWaalsContact O-N 3.14Å; E121-V123 VanDerWaalsContact C-N 3.34Å; E121-V123 PolarHBondContact O-N 3.19Å; V123-C125 VanDerWaalsContact C-N 3.25Å; V123-C125 PolarHBondContact O-N 3.18Å; V123-D126 PolarHBondContact O-N 2.94Å; V123-I128 WeakPolarHBondContact CA-O 3.12Å; V123-I128 HydrophobicContact CG2-CD1 4.1Å; V123-I128 HydrophobicContact CG2-CG1 3.77Å |
| 124 | Y | 90.3 | Very high | 91.5 | Very high | 191 Ų | 191 | 58.4 Ų | 58.4 | 75% | 0.749 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -66 | -28.6 | 179 | -91.4 | -107.2 | 0 | 0 | 0 | 113 | I120 E121 D126 | I120-Y124 HydrophobicContact CG2-CD2 3.6Å; I120-Y124 HydrophobicContact CG2-CE2 3.54Å; I120-Y124 WeakPolarHBondContact O-CD2 3.45Å; I120-Y124 PolarHBondContact O-N 3.48Å; E121-Y124 PolarHBondContact O-N 3.48Å; Y124-D126 VanDerWaalsContact C-N 3.26Å |
| 125 | C | 87.3 | Confident | 91.5 | Very high | 55 Ų | 55 | 65.2 Ų | 65.2 | 37% | 0.372 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 9.2 | 173.7 | -69.1 | 0 | 0 | 0 | 0 | 113.6 | E121 V123 I127 | E121-C125 PolarHBondContact O-N 3.16Å; E121-C125 PolarHBondContact O-SG 2.99Å; V123-C125 VanDerWaalsContact C-N 3.25Å; V123-C125 PolarHBondContact O-N 3.18Å; C125-I127 HydrophobicContact CB-CD1 3.77Å; C125-I127 HydrophobicContact CB-CG1 3.68Å; C125-I127 PolarHBondContact O-N 2.97Å; C125-I127 VanDerWaalsContact O-N 3.12Å |
| 126 | D | 88.4 | Confident | 91.4 | Very high | 113 Ų | 113 | 69.8 Ų | 69.8 | 60% | 0.604 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 25.8 | -177.1 | -68 | -49.2 | 0 | 0 | 0 | 114 | V123 Y124 V145 | V123-D126 PolarHBondContact O-N 2.94Å; Y124-D126 VanDerWaalsContact C-N 3.26Å; D126-V145 VanDerWaalsContact O-CG2 3.26Å; D126-V145 WeakPolarHBondContact O-CG2 3.38Å |
| 127 | I | 89 | Confident | 91.4 | Very high | 2 Ų | 2 | 74.6 Ų | 74.6 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -78 | -42.7 | 179.7 | -53.7 | 170.2 | 0 | 0 | 0 | 110.1 | Y28 H85 I89 A122 C125 S144 V145 | Y28-I127 HydrophobicContact CD2-CG1 4.35Å; Y28-I127 HydrophobicContact CE1-CD1 3.76Å; Y28-I127 HydrophobicContact CE1-CG1 4.49Å; Y28-I127 HydrophobicContact CE2-CD1 3.67Å; Y28-I127 HydrophobicContact CE2-CG1 3.74Å; Y28-I127 WeakPolarHBondContact OH-CD1 3.46Å; H85-I127 HydrophobicContact CB-CD1 4.03Å; I89-I127 HydrophobicContact CD1-CG2 3.26Å; I89-I127 HydrophobicContact CG1-CG2 3.54Å; A122-I127 HydrophobicContact CB-CB 4.43Å; A122-I127 HydrophobicContact CB-CD1 4.19Å; A122-I127 WeakPolarHBondContact O-CB 3.38Å; A122-I127 PolarHBondContact O-N 3.46Å; C125-I127 HydrophobicContact CB-CD1 3.77Å; C125-I127 HydrophobicContact CB-CG1 3.68Å; C125-I127 PolarHBondContact O-N 2.97Å; C125-I127 VanDerWaalsContact O-N 3.12Å; I127-S144 CarbonylContact O-C 3.39Å; I127-S144 WeakPolarHBondContact O-CA 3.48Å; I127-V145 PolarHBondContact O-N 3.07Å |
| 128 | I | 91.2 | Very high | 91.5 | Very high | 3 Ų | 3 | 73.3 Ų | 73.3 | 2% | 0.015 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 139.3 | 177.8 | 61.6 | 173.5 | 0 | 0 | 0 | 108.6 | I88 L119 A122 V123 | I88-I128 HydrophobicContact CG2-CD1 4.42Å; I88-I128 HydrophobicContact CG2-CG2 4.4Å; L119-I128 HydrophobicContact CD2-CD1 3.95Å; A122-I128 HydrophobicContact CB-CD1 3.84Å; A122-I128 HydrophobicContact CB-CG1 3.8Å; A122-I128 PolarHBondContact O-N 2.85Å; V123-I128 WeakPolarHBondContact CA-O 3.12Å; V123-I128 HydrophobicContact CG2-CD1 4.1Å; V123-I128 HydrophobicContact CG2-CG1 3.77Å |
| 129 | Q | 91.8 | Very high | 91.5 | Very high | 103 Ų | 103 | 73 Ų | 73 | 48% | 0.481 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 129.7 | 166.5 | -56.6 | -177.2 | -10.3 | 0 | 0 | 107.3 | D142 C143 | Q129-D142 PolarHBondContact O-N 2.85Å; Q129-C143 WeakPolarHBondContact CB-SG 3.41Å; Q129-C143 WeakPolarHBondContact CG-SG 3.47Å; Q129-C143 PolarHBondContact N-O 3.32Å; Q129-C143 PolarHBondContact O-N 2.75Å; Q129-C143 PolarHBondContact OE1-SG 2.83Å |
| 130 | G | 91.4 | Very high | 91.6 | Very high | 23 Ų | 23 | 76.6 Ų | 76.6 | 24% | 0.237 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.7 | -176.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113 | E140 | G130-E140 CarbonylContact C-O 3.56Å; G130-E140 WeakPolarHBondContact CA-O 3.32Å |
| 131 | K | 92.1 | Very high | 91.6 | Very high | 146 Ų | 146 | 74 Ų | 74 | 64% | 0.635 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 137 | -178.7 | -66 | 177 | -174 | 165.8 | 0 | 110.6 | E140 | K131-E140 PolarHBondContact N-O 3.25Å; K131-E140 PolarHBondContact O-N 3.49Å |
| 132 | L | 93.5 | Very high | 91.6 | Very high | 64 Ų | 64 | 75.5 Ų | 75.5 | 34% | 0.335 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 119.6 | 173.2 | -72.2 | 75.3 | 0 | 0 | 0 | 108.4 | E116 L119 V139 | E116-L132 HydrophobicContact CB-CD2 4.36Å; E116-L132 HydrophobicContact CG-CD2 4.17Å; L119-L132 HydrophobicContact CB-CD2 4.17Å; L119-L132 HydrophobicContact CD1-CD2 4.21Å; L119-L132 HydrophobicContact CD1-CG 4.41Å; L132-V139 HydrophobicContact CD1-CG2 4.4Å; L132-V139 HydrophobicContact CG-CG2 4.35Å |
| 133 | D | 92.6 | Very high | 91.5 | Very high | 39 Ų | 39 | 78.1 Ų | 78.1 | 21% | 0.209 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 91.4 | 173.1 | -176.6 | -7.2 | 0 | 0 | 0 | 109.8 | R135 N136 Q137 Q138 | D133-R135 PolarHBondContact O-N 2.82Å; D133-R135 WeakPolarHBondContact OD1-CB 3.39Å; D133-R135 PolarHBondContact OD1-N 2.81Å; D133-N136 PolarHBondContact O-N 3.31Å; D133-N136 PolarHBondContact OD1-N 2.84Å; D133-N136 VanDerWaalsContact OD1-N 3.11Å; D133-N136 WeakPolarHBondContact OD2-CB 3.35Å; D133-N136 PolarHBondContact OD2-ND2 3.33Å; D133-Q137 WeakPolarHBondContact O-CA 3.39Å; D133-Q137 PolarHBondContact O-N 3.02Å; D133-Q138 CarbonylContact C-O 3.52Å; D133-Q138 WeakPolarHBondContact CA-O 3.5Å; D133-Q138 HydrophobicContact CB-CG 3.99Å; D133-Q138 PolarHBondContact N-O 3.32Å; D133-Q138 PolarHBondContact O-N 3.14Å |
| 134 | Q | 90.6 | Very high | 91.3 | Very high | 101 Ų | 101 | 77.9 Ų | 77.9 | 47% | 0.472 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -28.4 | 179.2 | -165.4 | 66 | -1.7 | 0 | 0 | 113.1 | Y100 E116 Q137 | Y100-Q134 VanDerWaalsContact CE2-OE1 3.28Å; Y100-Q134 PolarHBondContact OH-OE1 3.1Å; E116-Q134 PolarHBondContact OE1-NE2 3.47Å; E116-Q134 PolarHBondContact OE1-OE1 3.44Å; Q134-Q137 PolarHBondContact O-N 2.96Å |
| 135 | R | 92.3 | Very high | 91.2 | Very high | 226 Ų | 226 | 71.6 Ų | 71.6 | 85% | 0.853 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -43.7 | -177.1 | 177.1 | -178.3 | 172.6 | 176 | -1.6 | 110.5 | D133 | D133-R135 PolarHBondContact O-N 2.82Å; D133-R135 WeakPolarHBondContact OD1-CB 3.39Å; D133-R135 PolarHBondContact OD1-N 2.81Å |
| 136 | N | 91.7 | Very high | 91 | Very high | 95 Ų | 95 | 71.7 Ų | 71.7 | 51% | 0.508 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 1.9 | 178.9 | -64.4 | -42 | 0 | 0 | 0 | 113.1 | D133 Q138 | D133-N136 PolarHBondContact O-N 3.31Å; D133-N136 PolarHBondContact OD1-N 2.84Å; D133-N136 VanDerWaalsContact OD1-N 3.11Å; D133-N136 WeakPolarHBondContact OD2-CB 3.35Å; D133-N136 PolarHBondContact OD2-ND2 3.33Å; N136-Q138 VanDerWaalsContact C-N 3.32Å; N136-Q138 HydrophobicContact CB-CG 3.94Å; N136-Q138 PolarHBondContact O-N 3.5Å |
| 137 | Q | 93.2 | Very high | 90.9 | Very high | 130 Ų | 130 | 68.5 Ų | 68.5 | 61% | 0.607 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 47.4 | -178.7 | -58.6 | -176 | -12.1 | 0 | 0 | 112.2 | Y100 D133 Q134 | Y100-Q137 WeakPolarHBondContact CB-O 3.34Å; Y100-Q137 WeakPolarHBondContact CD1-O 3.4Å; Y100-Q137 HydrophobicContact CD2-CB 4.21Å; Y100-Q137 HydrophobicContact CG-CB 4.3Å; Y100-Q137 PolarHBondContact N-O 3.23Å; D133-Q137 WeakPolarHBondContact O-CA 3.39Å; D133-Q137 PolarHBondContact O-N 3.02Å; Q134-Q137 PolarHBondContact O-N 2.96Å |
| 138 | Q | 93.9 | Very high | 90.5 | Very high | 43 Ų | 43 | 68.8 Ų | 68.8 | 20% | 0.201 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 158.3 | -179 | 66.1 | -174.6 | 4.8 | 0 | 0 | 111.3 | L98 D133 N136 | L98-Q138 CarbonylContact O-C 3.58Å; L98-Q138 VanDerWaalsContact O-CA 3.28Å; L98-Q138 WeakPolarHBondContact O-CA 3.46Å; D133-Q138 CarbonylContact C-O 3.52Å; D133-Q138 WeakPolarHBondContact CA-O 3.5Å; D133-Q138 HydrophobicContact CB-CG 3.99Å; D133-Q138 PolarHBondContact N-O 3.32Å; D133-Q138 PolarHBondContact O-N 3.14Å; N136-Q138 VanDerWaalsContact C-N 3.32Å; N136-Q138 HydrophobicContact CB-CG 3.94Å; N136-Q138 PolarHBondContact O-N 3.5Å |
| 139 | V | 93.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 73.3 Ų | 73.3 | 1% | 0.006 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 127.6 | 167 | 60.7 | 0 | 0 | 0 | 0 | 108.7 | C97 L98 Y100 L103 L119 L132 V141 | C97-V139 WeakPolarHBondContact CA-O 3.46Å; L98-V139 HydrophobicContact CB-CG1 3.66Å; L98-V139 HydrophobicContact CD1-CG1 4.25Å; L98-V139 HydrophobicContact CG-CG1 4.47Å; L98-V139 PolarHBondContact N-O 3.17Å; L98-V139 PolarHBondContact O-N 3.27Å; Y100-V139 HydrophobicContact CE1-CB 4.33Å; L103-V139 HydrophobicContact CD1-CG1 3.75Å; L119-V139 HydrophobicContact CD1-CB 4.26Å; L119-V139 HydrophobicContact CD1-CG1 4.27Å; L119-V139 HydrophobicContact CD2-CG1 4.27Å; L132-V139 HydrophobicContact CD1-CG2 4.4Å; L132-V139 HydrophobicContact CG-CG2 4.35Å; V139-V141 HydrophobicContact CG1-CG2 4.48Å; V139-V141 HydrophobicContact CG2-CG2 4.41Å |
| 140 | E | 94 | Very high | 88.9 | Confident | 76 Ų | 76 | 69 Ų | 69 | 36% | 0.355 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 118 | 173.3 | -64.5 | -176.9 | 174.5 | 0 | 0 | 107.7 | G130 K131 | G130-E140 CarbonylContact C-O 3.56Å; G130-E140 WeakPolarHBondContact CA-O 3.32Å; K131-E140 PolarHBondContact N-O 3.25Å; K131-E140 PolarHBondContact O-N 3.49Å |
| 141 | V | 93.9 | Very high | 87.8 | Confident | 10 Ų | 10 | 73.2 Ų | 73.2 | 6% | 0.061 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 117.1 | 179.4 | -173.4 | 0 | 0 | 0 | 0 | 108.6 | A92 K96 L98 V139 C143 | A92-V141 HydrophobicContact CB-CB 4.23Å; A92-V141 HydrophobicContact CB-CG1 3.93Å; A92-V141 HydrophobicContact CB-CG2 4.17Å; K96-V141 PolarHBondContact O-N 3.44Å; L98-V141 HydrophobicContact CD1-CG2 3.98Å; V139-V141 HydrophobicContact CG1-CG2 4.48Å; V139-V141 HydrophobicContact CG2-CG2 4.41Å; V141-C143 WeakPolarHBondContact CG1-O 3.48Å |
| 142 | D | 90.7 | Very high | 87 | Confident | 117 Ų | 117 | 73.1 Ų | 73.1 | 63% | 0.626 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | -45.8 | 177.8 | -69.8 | -41.3 | 0 | 0 | 0 | 110.6 | Q129 | Q129-D142 PolarHBondContact O-N 2.85Å |
| 143 | C | 87.4 | Confident | 86.3 | Confident | 56 Ų | 56 | 74.4 Ų | 74.4 | 38% | 0.378 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 157.7 | 172.4 | 75.8 | 0 | 0 | 0 | 0 | 111.3 | Q129 V141 | Q129-C143 WeakPolarHBondContact CB-SG 3.41Å; Q129-C143 WeakPolarHBondContact CG-SG 3.47Å; Q129-C143 PolarHBondContact N-O 3.32Å; Q129-C143 PolarHBondContact O-N 2.75Å; Q129-C143 PolarHBondContact OE1-SG 2.83Å; V141-C143 WeakPolarHBondContact CG1-O 3.48Å |
| 144 | S | 89.1 | Confident | 86 | Confident | 41 Ų | 41 | 77.5 Ų | 77.5 | 29% | 0.287 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 151.1 | 173.8 | 58.5 | 0 | 0 | 0 | 0 | 109.5 | I127 | I127-S144 CarbonylContact O-C 3.39Å; I127-S144 WeakPolarHBondContact O-CA 3.48Å |
| 145 | V | 87.9 | Confident | 86 | Confident | 60 Ų | 60 | 76.1 Ų | 76.1 | 36% | 0.364 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 142 | 169.6 | 176 | 0 | 0 | 0 | 0 | 109.2 | I89 D126 I127 R147 | I89-V145 WeakPolarHBondContact CG2-O 3.32Å; D126-V145 VanDerWaalsContact O-CG2 3.26Å; D126-V145 WeakPolarHBondContact O-CG2 3.38Å; I127-V145 PolarHBondContact O-N 3.07Å; V145-R147 PolarHBondContact O-N 3.09Å |
| 146 | G | 82.8 | Confident | 85.8 | Confident | 57 Ų | 57 | 70 Ų | 70 | 59% | 0.588 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 129.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 147 | R | 85.1 | Confident | 85.7 | Confident | 46 Ų | 46 | 68.3 Ų | 68.3 | 17% | 0.174 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -84.1 | 164.5 | 167 | -164.3 | 176 | 70 | 154.9 | 3.3 | 110.1 | Y59 G60 L86 I89 S90 V145 L149 | Y59-R147 PolarHBondContact O-NH1 2.7Å; Y59-R147 PolarHBondContact O-NH2 2.69Å; G60-R147 PolarHBondContact O-NH1 2.98Å; L86-R147 HydrophobicContact CD2-CG 4.08Å; I89-R147 HydrophobicContact CG2-CB 4.18Å; S90-R147 PolarHBondContact OG-NE 3.49Å; S90-R147 PolarHBondContact OG-NH1 2.76Å; S90-R147 PolarHBondContact OG-NH2 3.45Å; V145-R147 PolarHBondContact O-N 3.09Å; R147-L149 PolarHBondContact O-N 3.47Å |
| 148 | D | 81.8 | Confident | 85.6 | Confident | 8 Ų | 8 | 66.8 Ų | 66.8 | 4% | 0.043 | 38% | 0.38 | C | S | . | . | trans | -46 | 132.2 | 168.6 | -65.8 | -58.4 | 0 | 0 | 0 | 112.4 | V29 F30 S31 A58 Y59 | V29-D148 WeakPolarHBondContact CG1-OD1 3.36Å; F30-D148 PolarHBondContact N-OD1 3.44Å; F30-D148 PolarHBondContact N-OD2 2.94Å; S31-D148 VanDerWaalsContact CB-OD1 3.27Å; S31-D148 WeakPolarHBondContact CB-OD1 3.36Å; S31-D148 PolarHBondContact N-OD1 2.82Å; S31-D148 VanDerWaalsContact OG-CB 3.27Å; S31-D148 WeakPolarHBondContact OG-CB 3.5Å; S31-D148 PolarHBondContact OG-OD1 2.92Å; S31-D148 VanDerWaalsContact OG-OD1 3.05Å; A58-D148 WeakPolarHBondContact CA-OD2 3.07Å; A58-D148 HydrophobicContact CB-CB 4.11Å; A58-D148 WeakPolarHBondContact O-CB 3.5Å; Y59-D148 HydrophobicContact CD1-CB 4.27Å; Y59-D148 HydrophobicContact CE1-CB 3.97Å | ||
| 149 | L | 75.8 | Confident | 85.6 | Confident | 97 Ų | 97 | 69.1 Ų | 69.1 | 51% | 0.508 | 39% | 0.394 | S | S | . | . | trans | -92.2 | 125.6 | -179.6 | -64.6 | 177.3 | 0 | 0 | 0 | 109.9 | Y59 R147 I157 | Y59-L149 WeakPolarHBondContact CE1-O 3.41Å; R147-L149 PolarHBondContact O-N 3.47Å; L149-I157 HydrophobicContact CD1-CD1 3.93Å; L149-I157 HydrophobicContact CD2-CD1 3.74Å; L149-I157 HydrophobicContact CG-CD1 4.47Å | ||
| 150 | G | 72.4 | Confident | 85.6 | Confident | 12 Ų | 12 | 72.3 Ų | 72.3 | 12% | 0.124 | 41% | 0.414 | C | S | . | . | trans | -66.4 | 151.4 | 171 | 0 | 0 | 0 | 0 | 0 | 111.3 | N152 E153 | G150-N152 PolarHBondContact O-N 3.42Å; G150-E153 PolarHBondContact O-N 3.2Å | ||
| 151 | P | 69.3 | Low | 85.6 | Confident | 113 Ų | 113 | 73.1 Ų | 73.1 | 73% | 0.734 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -21 | 179.7 | 22 | -32.5 | 0 | 0 | 0 | 113.6 | ||
| 152 | N | 74.4 | Confident | 85.7 | Confident | 143 Ų | 143 | 78 Ų | 78 | 77% | 0.765 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -4.6 | 179.7 | -61.7 | -31.3 | 0 | 0 | 0 | 113.9 | G150 | G150-N152 PolarHBondContact O-N 3.42Š|
| 153 | E | 80.3 | Confident | 86 | Confident | 92 Ų | 92 | 79 Ų | 79 | 43% | 0.43 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -19.5 | -175.3 | -60.6 | -159.4 | 125.5 | 0 | 0 | 113.1 | G150 N156 I157 | G150-E153 PolarHBondContact O-N 3.2Å; E153-N156 WeakPolarHBondContact O-CB 3.26Å; E153-N156 PolarHBondContact O-N 3.34Å; E153-N156 VanDerWaalsContact O-N 3.08Å; E153-I157 WeakPolarHBondContact O-CG1 3.49Å; E153-I157 PolarHBondContact O-N 3.47Å |
| 154 | L | 86.7 | Confident | 86.4 | Confident | 103 Ų | 103 | 84.8 Ų | 84.8 | 54% | 0.539 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.1 | -45.2 | 178.5 | -177.4 | 66.1 | 0 | 0 | 0 | 113.4 | N156 I157 I158 | L154-N156 VanDerWaalsContact C-N 3.26Å; L154-N156 PolarHBondContact O-N 2.93Å; L154-I157 PolarHBondContact O-N 2.95Å; L154-I158 HydrophobicContact CG-CD1 4.25Å; L154-I158 WeakPolarHBondContact O-CG1 3.49Å; L154-I158 PolarHBondContact O-N 3.38Å |
| 155 | P | 89.5 | Confident | 86.8 | Confident | 72 Ų | 72 | 85.6 Ų | 85.6 | 47% | 0.468 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.5 | -34.1 | 175 | -22.5 | 34.5 | 0 | 0 | 0 | 113.1 | I158 N159 | P155-I158 PolarHBondContact O-N 3.46Å; P155-N159 WeakPolarHBondContact O-CB 3.38Å; P155-N159 VanDerWaalsContact O-CG 3.25Å; P155-N159 PolarHBondContact O-N 3.25Å; P155-N159 PolarHBondContact O-ND2 3.06Å |
| 156 | N | 88.4 | Confident | 87.2 | Confident | 98 Ų | 98 | 86 Ų | 86 | 52% | 0.524 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 177.5 | -171.6 | 44.3 | 0 | 0 | 0 | 111.4 | E153 L154 I158 N159 T160 | E153-N156 WeakPolarHBondContact O-CB 3.26Å; E153-N156 PolarHBondContact O-N 3.34Å; E153-N156 VanDerWaalsContact O-N 3.08Å; L154-N156 VanDerWaalsContact C-N 3.26Å; L154-N156 PolarHBondContact O-N 2.93Å; N156-I158 VanDerWaalsContact C-N 3.34Å; N156-I158 PolarHBondContact O-N 3.05Å; N156-N159 PolarHBondContact O-N 3.03Å; N156-T160 WeakPolarHBondContact O-CG2 3.22Å; N156-T160 PolarHBondContact O-N 3.32Å; N156-T160 PolarHBondContact O-OG1 3.18Å |
| 157 | I | 88.7 | Confident | 87.9 | Confident | 59 Ų | 59 | 85 Ų | 85 | 30% | 0.303 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 174.7 | -63.7 | 167.7 | 0 | 0 | 0 | 110.7 | L149 E153 L154 N159 T160 L161 | L149-I157 HydrophobicContact CD1-CD1 3.93Å; L149-I157 HydrophobicContact CD2-CD1 3.74Å; L149-I157 HydrophobicContact CG-CD1 4.47Å; E153-I157 WeakPolarHBondContact O-CG1 3.49Å; E153-I157 PolarHBondContact O-N 3.47Å; L154-I157 PolarHBondContact O-N 2.95Å; I157-N159 VanDerWaalsContact C-N 3.35Å; I157-N159 PolarHBondContact O-N 3.48Å; I157-T160 WeakPolarHBondContact CA-OG1 3.44Å; I157-T160 PolarHBondContact O-N 2.94Å; I157-T160 PolarHBondContact O-OG1 3.33Å; I157-L161 HydrophobicContact CG2-CD1 4Å; I157-L161 HydrophobicContact CG2-CG 4.47Å; I157-L161 WeakPolarHBondContact O-CB 3.43Å; I157-L161 WeakPolarHBondContact O-CG 3.39Å; I157-L161 PolarHBondContact O-N 3.07Å |
| 158 | I | 91.9 | Very high | 88.5 | Confident | 99 Ų | 99 | 85.5 Ų | 85.5 | 51% | 0.508 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 177.4 | -66.5 | 166.9 | 0 | 0 | 0 | 110.6 | L154 P155 N156 L161 Q162 | L154-I158 HydrophobicContact CG-CD1 4.25Å; L154-I158 WeakPolarHBondContact O-CG1 3.49Å; L154-I158 PolarHBondContact O-N 3.38Å; P155-I158 PolarHBondContact O-N 3.46Å; N156-I158 VanDerWaalsContact C-N 3.34Å; N156-I158 PolarHBondContact O-N 3.05Å; I158-L161 PolarHBondContact O-N 3.45Å; I158-Q162 WeakPolarHBondContact O-CB 3.14Å; I158-Q162 PolarHBondContact O-N 3.37Å |
| 159 | N | 94.4 | Very high | 89.3 | Confident | 91 Ų | 91 | 91 Ų | 91 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.2 | -46.9 | -179.8 | -72.3 | -20 | 0 | 0 | 0 | 112.1 | P155 N156 I157 L161 Q162 E163 | P155-N159 WeakPolarHBondContact O-CB 3.38Å; P155-N159 VanDerWaalsContact O-CG 3.25Å; P155-N159 PolarHBondContact O-N 3.25Å; P155-N159 PolarHBondContact O-ND2 3.06Å; N156-N159 PolarHBondContact O-N 3.03Å; I157-N159 VanDerWaalsContact C-N 3.35Å; I157-N159 PolarHBondContact O-N 3.48Å; N159-L161 PolarHBondContact O-N 3.44Å; N159-Q162 WeakPolarHBondContact O-CB 3.48Å; N159-Q162 PolarHBondContact O-N 2.97Å; N159-E163 WeakPolarHBondContact O-CG 3.4Å; N159-E163 PolarHBondContact O-N 3.22Å |
| 160 | T | 92.4 | Very high | 90.3 | Very high | 69 Ų | 69 | 89.4 Ų | 89.4 | 42% | 0.423 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 179 | 51.5 | 0 | 0 | 0 | 0 | 112.6 | N156 I157 E163 W164 | N156-T160 WeakPolarHBondContact O-CG2 3.22Å; N156-T160 PolarHBondContact O-N 3.32Å; N156-T160 PolarHBondContact O-OG1 3.18Å; I157-T160 WeakPolarHBondContact CA-OG1 3.44Å; I157-T160 PolarHBondContact O-N 2.94Å; I157-T160 PolarHBondContact O-OG1 3.33Å; T160-E163 PolarHBondContact O-N 3.12Å; T160-W164 WeakPolarHBondContact O-CB 3.34Å; T160-W164 PolarHBondContact O-N 3.22Å |
| 161 | L | 94.3 | Very high | 91.5 | Very high | 93 Ų | 93 | 93.3 Ų | 93.3 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65 | -41.6 | 173.6 | -71.6 | 174.2 | 0 | 0 | 0 | 111.8 | I157 I158 N159 W164 C165 | I157-L161 HydrophobicContact CG2-CD1 4Å; I157-L161 HydrophobicContact CG2-CG 4.47Å; I157-L161 WeakPolarHBondContact O-CB 3.43Å; I157-L161 WeakPolarHBondContact O-CG 3.39Å; I157-L161 PolarHBondContact O-N 3.07Å; I158-L161 PolarHBondContact O-N 3.45Å; N159-L161 PolarHBondContact O-N 3.44Å; L161-W164 PolarHBondContact O-N 2.93Å; L161-C165 PolarHBondContact O-N 3.03Å; L161-C165 PolarHBondContact O-SG 3.34Å; L161-C165 VanDerWaalsContact O-SG 3.33Å |
| 162 | Q | 96.4 | Very high | 92.9 | Very high | 111 Ų | 111 | 92.8 Ų | 92.8 | 52% | 0.519 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 177.4 | -175 | 60.1 | 49.3 | 0 | 0 | 111.5 | I158 N159 W164 C165 T166 | I158-Q162 WeakPolarHBondContact O-CB 3.14Å; I158-Q162 PolarHBondContact O-N 3.37Å; N159-Q162 WeakPolarHBondContact O-CB 3.48Å; N159-Q162 PolarHBondContact O-N 2.97Å; Q162-W164 VanDerWaalsContact C-N 3.3Å; Q162-W164 PolarHBondContact O-N 3.29Å; Q162-C165 PolarHBondContact O-N 3.37Å; Q162-T166 PolarHBondContact NE2-OG1 3.43Å; Q162-T166 WeakPolarHBondContact O-CB 3.47Å; Q162-T166 PolarHBondContact O-N 2.92Å; Q162-T166 PolarHBondContact O-OG1 2.94Å; Q162-T166 VanDerWaalsContact O-OG1 3.13Å |
| 163 | E | 96.9 | Very high | 93.9 | Very high | 140 Ų | 140 | 89.7 Ų | 89.7 | 65% | 0.654 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -58.8 | -42.2 | 174.8 | -75.9 | 176.4 | -172.3 | 0 | 0 | 111.6 | N159 T160 G167 | N159-E163 WeakPolarHBondContact O-CG 3.4Å; N159-E163 PolarHBondContact O-N 3.22Å; T160-E163 PolarHBondContact O-N 3.12Å; E163-G167 PolarHBondContact O-N 2.93Å |
| 164 | W | 96.6 | Very high | 94.8 | Very high | 176 Ų | 176 | 86.6 Ų | 86.6 | 67% | 0.667 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.6 | -45.3 | 177.2 | -176.7 | 47.7 | 0 | 0 | 0 | 112.5 | T160 L161 Q162 G167 C168 | T160-W164 WeakPolarHBondContact O-CB 3.34Å; T160-W164 PolarHBondContact O-N 3.22Å; L161-W164 PolarHBondContact O-N 2.93Å; Q162-W164 VanDerWaalsContact C-N 3.3Å; Q162-W164 PolarHBondContact O-N 3.29Å; W164-G167 PolarHBondContact O-N 3.16Å; W164-C168 PolarHBondContact O-N 2.8Å; W164-C168 PolarHBondContact O-SG 3.11Å |
| 165 | C | 96.7 | Very high | 95.3 | Very high | 58 Ų | 58 | 86.3 Ų | 86.3 | 39% | 0.392 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.2 | -51 | 174.8 | -73.1 | 0 | 0 | 0 | 0 | 111.4 | L161 Q162 G167 C168 E169 | L161-C165 PolarHBondContact O-N 3.03Å; L161-C165 PolarHBondContact O-SG 3.34Å; L161-C165 VanDerWaalsContact O-SG 3.33Å; Q162-C165 PolarHBondContact O-N 3.37Å; C165-G167 VanDerWaalsContact C-N 3.29Å; C165-G167 PolarHBondContact O-N 3.4Å; C165-C168 WeakPolarHBondContact O-CB 3.31Å; C165-C168 PolarHBondContact O-N 3Å; C165-C168 VanDerWaalsContact O-N 3.11Å; C165-E169 WeakPolarHBondContact O-CG 3.4Å; C165-E169 PolarHBondContact O-N 3.44Å |
| 166 | T | 97.3 | Very high | 95.6 | Very high | 69 Ų | 69 | 89.2 Ų | 89.2 | 42% | 0.423 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.3 | -37.1 | 178.4 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | Q162 E169 A170 | Q162-T166 PolarHBondContact NE2-OG1 3.43Å; Q162-T166 WeakPolarHBondContact O-CB 3.47Å; Q162-T166 PolarHBondContact O-N 2.92Å; Q162-T166 PolarHBondContact O-OG1 2.94Å; Q162-T166 VanDerWaalsContact O-OG1 3.13Å; T166-E169 PolarHBondContact O-N 3.35Å; T166-A170 WeakPolarHBondContact O-CB 3.42Å; T166-A170 PolarHBondContact O-N 2.99Å |
| 167 | G | 97.4 | Very high | 96.1 | Very high | 37 Ų | 37 | 90.4 Ų | 90.4 | 38% | 0.381 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E163 W164 C165 A170 V171 | E163-G167 PolarHBondContact O-N 2.93Å; W164-G167 PolarHBondContact O-N 3.16Å; C165-G167 VanDerWaalsContact C-N 3.29Å; C165-G167 PolarHBondContact O-N 3.4Å; G167-A170 PolarHBondContact O-N 3.06Å; G167-V171 WeakPolarHBondContact O-CG2 2.77Å; G167-V171 PolarHBondContact O-N 3.46Å; G167-V171 VanDerWaalsContact O-N 3.1Å |
| 168 | C | 97.5 | Very high | 96.5 | Very high | 56 Ų | 56 | 92.7 Ų | 92.7 | 38% | 0.378 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66 | -43.6 | 177 | -66.2 | 0 | 0 | 0 | 0 | 111.7 | W164 C165 A170 V171 L172 | W164-C168 PolarHBondContact O-N 2.8Å; W164-C168 PolarHBondContact O-SG 3.11Å; C165-C168 WeakPolarHBondContact O-CB 3.31Å; C165-C168 PolarHBondContact O-N 3Å; C165-C168 VanDerWaalsContact O-N 3.11Å; C168-A170 VanDerWaalsContact C-N 3.34Å; C168-A170 PolarHBondContact O-N 3.44Å; C168-V171 PolarHBondContact O-N 2.98Å; C168-L172 WeakPolarHBondContact O-CB 3.19Å; C168-L172 VanDerWaalsContact O-CG 3.3Å; C168-L172 WeakPolarHBondContact O-CG 3.33Å; C168-L172 PolarHBondContact O-N 3.08Å |
| 169 | E | 97.3 | Very high | 96.7 | Very high | 124 Ų | 124 | 91.8 Ų | 91.8 | 58% | 0.579 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.7 | -42.1 | 175.6 | -72.1 | 173.3 | 177.6 | 0 | 0 | 112 | C165 T166 V171 L172 C173 | C165-E169 WeakPolarHBondContact O-CG 3.4Å; C165-E169 PolarHBondContact O-N 3.44Å; T166-E169 PolarHBondContact O-N 3.35Å; E169-V171 PolarHBondContact O-N 2.95Å; E169-L172 PolarHBondContact O-N 2.61Å; E169-C173 VanDerWaalsContact O-CB 3.28Å; E169-C173 WeakPolarHBondContact O-CB 3.31Å; E169-C173 PolarHBondContact O-N 3.07Å |
| 170 | A | 97.3 | Very high | 96.9 | Very high | 63 Ų | 63 | 90.1 Ų | 90.1 | 52% | 0.521 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -42.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T166 G167 C168 G174 | T166-A170 WeakPolarHBondContact O-CB 3.42Å; T166-A170 PolarHBondContact O-N 2.99Å; G167-A170 PolarHBondContact O-N 3.06Å; C168-A170 VanDerWaalsContact C-N 3.34Å; C168-A170 PolarHBondContact O-N 3.44Å; A170-G174 PolarHBondContact O-N 3.11Å |
| 171 | V | 98.1 | Very high | 97.1 | Very high | 94 Ų | 94 | 95 Ų | 95 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.3 | -43.8 | 176.2 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | G167 C168 E169 G174 I175 | G167-V171 WeakPolarHBondContact O-CG2 2.77Å; G167-V171 PolarHBondContact O-N 3.46Å; G167-V171 VanDerWaalsContact O-N 3.1Å; C168-V171 PolarHBondContact O-N 2.98Å; E169-V171 PolarHBondContact O-N 2.95Å; V171-G174 PolarHBondContact O-N 2.99Å; V171-I175 HydrophobicContact CG1-CD1 3.96Å; V171-I175 VanDerWaalsContact O-CG1 3.32Å; V171-I175 WeakPolarHBondContact O-CG1 3.47Å; V171-I175 PolarHBondContact O-N 3.01Å |
| 172 | L | 97.6 | Very high | 97.3 | Very high | 101 Ų | 101 | 93.4 Ų | 93.4 | 53% | 0.529 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.4 | -47.9 | 177.1 | -73 | 170.8 | 0 | 0 | 0 | 111.6 | C168 E169 G174 I175 E176 | C168-L172 WeakPolarHBondContact O-CB 3.19Å; C168-L172 VanDerWaalsContact O-CG 3.3Å; C168-L172 WeakPolarHBondContact O-CG 3.33Å; C168-L172 PolarHBondContact O-N 3.08Å; E169-L172 PolarHBondContact O-N 2.61Å; L172-G174 VanDerWaalsContact C-N 3.31Å; L172-G174 PolarHBondContact O-N 3.4Å; L172-I175 PolarHBondContact O-N 2.71Å; L172-I175 VanDerWaalsContact O-N 3.13Å; L172-E176 WeakPolarHBondContact O-CG 2.92Å; L172-E176 PolarHBondContact O-N 2.95Å |
| 173 | C | 97.1 | Very high | 97.3 | Very high | 78 Ų | 78 | 92.2 Ų | 92.2 | 53% | 0.527 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.9 | -43.4 | 175.9 | -175.2 | 0 | 0 | 0 | 0 | 111.4 | E169 I175 E176 E177 | E169-C173 VanDerWaalsContact O-CB 3.28Å; E169-C173 WeakPolarHBondContact O-CB 3.31Å; E169-C173 PolarHBondContact O-N 3.07Å; C173-I175 VanDerWaalsContact C-N 3.34Å; C173-I175 PolarHBondContact O-N 3.45Å; C173-E176 PolarHBondContact O-N 3.17Å; C173-E177 PolarHBondContact O-N 3Å |
| 174 | G | 97.5 | Very high | 97.3 | Very high | 28 Ų | 28 | 91.4 Ų | 91.4 | 29% | 0.289 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60 | -41.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A170 V171 L172 E177 Q178 | A170-G174 PolarHBondContact O-N 3.11Å; V171-G174 PolarHBondContact O-N 2.99Å; L172-G174 VanDerWaalsContact C-N 3.31Å; L172-G174 PolarHBondContact O-N 3.4Å; G174-E177 PolarHBondContact O-N 2.78Å; G174-Q178 WeakPolarHBondContact O-CG 3.18Å; G174-Q178 PolarHBondContact O-N 2.91Å |
| 175 | I | 97.6 | Very high | 97.3 | Very high | 97 Ų | 97 | 90.3 Ų | 90.3 | 50% | 0.497 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.2 | -45.4 | 175.7 | -68.1 | 165.6 | 0 | 0 | 0 | 110.7 | V171 L172 C173 E177 Q178 V179 | V171-I175 HydrophobicContact CG1-CD1 3.96Å; V171-I175 VanDerWaalsContact O-CG1 3.32Å; V171-I175 WeakPolarHBondContact O-CG1 3.47Å; V171-I175 PolarHBondContact O-N 3.01Å; L172-I175 PolarHBondContact O-N 2.71Å; L172-I175 VanDerWaalsContact O-N 3.13Å; C173-I175 VanDerWaalsContact C-N 3.34Å; C173-I175 PolarHBondContact O-N 3.45Å; I175-E177 VanDerWaalsContact C-N 3.3Å; I175-E177 PolarHBondContact O-N 2.78Å; I175-Q178 PolarHBondContact O-N 2.91Å; I175-V179 HydrophobicContact CG2-CG2 4.4Å; I175-V179 VanDerWaalsContact O-CG2 3.32Å; I175-V179 WeakPolarHBondContact O-CG2 3.35Å; I175-V179 PolarHBondContact O-N 2.98Å |
| 176 | E | 97.4 | Very high | 97.3 | Very high | 132 Ų | 132 | 95 Ų | 95 | 62% | 0.617 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.4 | -41.1 | 177.5 | -71.7 | 175.9 | 176.9 | 0 | 0 | 111.8 | L172 C173 V179 S180 | L172-E176 WeakPolarHBondContact O-CG 2.92Å; L172-E176 PolarHBondContact O-N 2.95Å; C173-E176 PolarHBondContact O-N 3.17Å; E176-V179 PolarHBondContact O-N 3.46Å; E176-S180 WeakPolarHBondContact O-CB 3.32Å; E176-S180 PolarHBondContact O-N 3Å |
| 177 | E | 97.3 | Very high | 97.2 | Very high | 124 Ų | 124 | 96.2 Ų | 96.2 | 58% | 0.579 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.9 | -45.3 | 174.9 | -169.6 | -176.7 | -176.2 | 0 | 0 | 111.7 | C173 G174 I175 V179 S180 R181 | C173-E177 PolarHBondContact O-N 3Å; G174-E177 PolarHBondContact O-N 2.78Å; I175-E177 VanDerWaalsContact C-N 3.3Å; I175-E177 PolarHBondContact O-N 2.78Å; E177-V179 VanDerWaalsContact C-N 3.31Å; E177-V179 PolarHBondContact O-N 3.3Å; E177-S180 PolarHBondContact O-N 3.45Å; E177-R181 WeakPolarHBondContact O-CB 3.41Å; E177-R181 PolarHBondContact O-N 3.07Å |
| 178 | Q | 97 | Very high | 97.1 | Very high | 107 Ų | 107 | 98.9 Ų | 98.9 | 50% | 0.5 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 176.4 | -67.4 | -47.1 | -43.3 | 0 | 0 | 112.1 | G174 I175 R181 A182 | G174-Q178 WeakPolarHBondContact O-CG 3.18Å; G174-Q178 PolarHBondContact O-N 2.91Å; I175-Q178 PolarHBondContact O-N 2.91Å; Q178-R181 PolarHBondContact O-N 3.06Å; Q178-A182 WeakPolarHBondContact O-CB 3.44Å; Q178-A182 PolarHBondContact O-N 3.15Å |
| 179 | V | 97.6 | Very high | 97 | Very high | 79 Ų | 79 | 100.3 Ų | 100.3 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 175 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | I175 E176 E177 R181 A182 N183 | I175-V179 HydrophobicContact CG2-CG2 4.4Å; I175-V179 VanDerWaalsContact O-CG2 3.32Å; I175-V179 WeakPolarHBondContact O-CG2 3.35Å; I175-V179 PolarHBondContact O-N 2.98Å; E176-V179 PolarHBondContact O-N 3.46Å; E177-V179 VanDerWaalsContact C-N 3.31Å; E177-V179 PolarHBondContact O-N 3.3Å; V179-R181 PolarHBondContact O-N 3.37Å; V179-A182 PolarHBondContact O-N 3.33Å; V179-N183 WeakPolarHBondContact O-CB 3.27Å; V179-N183 PolarHBondContact O-N 2.89Å; V179-N183 PolarHBondContact O-ND2 2.8Å |
| 180 | S | 97.2 | Very high | 96.9 | Very high | 56 Ų | 56 | 99 Ų | 99 | 39% | 0.392 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 176.3 | -176.4 | 0 | 0 | 0 | 0 | 111.5 | E176 E177 A182 N183 Q184 | E176-S180 WeakPolarHBondContact O-CB 3.32Å; E176-S180 PolarHBondContact O-N 3Å; E177-S180 PolarHBondContact O-N 3.45Å; S180-A182 PolarHBondContact O-N 2.95Å; S180-N183 PolarHBondContact O-N 3.05Å; S180-Q184 WeakPolarHBondContact O-CG 3.27Å; S180-Q184 PolarHBondContact O-N 3.13Å; S180-Q184 PolarHBondContact OG-NE2 3.29Å; S180-Q184 VanDerWaalsContact OG-NE2 3.1Å |
| 181 | R | 97.4 | Very high | 96.9 | Very high | 173 Ų | 173 | 101.7 Ų | 101.7 | 65% | 0.653 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.4 | -44.7 | 178.2 | -172.6 | 177.7 | -177.5 | 178.4 | 1.9 | 112.1 | E177 Q178 V179 N183 Q184 Y185 | E177-R181 WeakPolarHBondContact O-CB 3.41Å; E177-R181 PolarHBondContact O-N 3.07Å; Q178-R181 PolarHBondContact O-N 3.06Å; V179-R181 PolarHBondContact O-N 3.37Å; R181-N183 VanDerWaalsContact C-N 3.35Å; R181-Q184 PolarHBondContact O-N 2.95Å; R181-Y185 WeakPolarHBondContact O-CB 3.41Å; R181-Y185 PolarHBondContact O-N 3.3Å |
| 182 | A | 97.4 | Very high | 96.7 | Very high | 58 Ų | 58 | 100.2 Ų | 100.2 | 48% | 0.479 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q178 V179 S180 Y185 R186 | Q178-A182 WeakPolarHBondContact O-CB 3.44Å; Q178-A182 PolarHBondContact O-N 3.15Å; V179-A182 PolarHBondContact O-N 3.33Å; S180-A182 PolarHBondContact O-N 2.95Å; A182-Y185 PolarHBondContact O-N 3.47Å; A182-R186 WeakPolarHBondContact O-CB 3.36Å; A182-R186 PolarHBondContact O-N 2.98Å |
| 183 | N | 97.1 | Very high | 96.6 | Very high | 86 Ų | 86 | 101.4 Ų | 101.4 | 46% | 0.46 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.2 | -45.2 | 177 | -76.7 | -33.1 | 0 | 0 | 0 | 112.3 | V179 S180 R181 R186 E187 | V179-N183 WeakPolarHBondContact O-CB 3.27Å; V179-N183 PolarHBondContact O-N 2.89Å; V179-N183 PolarHBondContact O-ND2 2.8Å; S180-N183 PolarHBondContact O-N 3.05Å; R181-N183 VanDerWaalsContact C-N 3.35Å; N183-R186 PolarHBondContact O-N 3.3Å; N183-E187 WeakPolarHBondContact O-CB 3.42Å; N183-E187 PolarHBondContact O-N 3.06Å |
| 184 | Q | 96.6 | Very high | 96.6 | Very high | 123 Ų | 123 | 101.2 Ų | 101.2 | 58% | 0.575 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.5 | -42.6 | 176 | -73.9 | 178 | 47.6 | 0 | 0 | 111.7 | S180 R181 R186 E187 N188 | S180-Q184 WeakPolarHBondContact O-CG 3.27Å; S180-Q184 PolarHBondContact O-N 3.13Å; S180-Q184 PolarHBondContact OG-NE2 3.29Å; S180-Q184 VanDerWaalsContact OG-NE2 3.1Å; R181-Q184 PolarHBondContact O-N 2.95Å; Q184-R186 PolarHBondContact O-N 3.44Å; Q184-E187 PolarHBondContact O-N 3.21Å; Q184-N188 WeakPolarHBondContact O-CB 3.4Å; Q184-N188 PolarHBondContact O-N 2.9Å |
| 185 | Y | 96.2 | Very high | 96.4 | Very high | 153 Ų | 153 | 106 Ų | 106 | 60% | 0.6 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.5 | -46.6 | 175.6 | -177.5 | -98.4 | 0 | 0 | 0 | 111.3 | R181 A182 E187 N188 Q189 | R181-Y185 WeakPolarHBondContact O-CB 3.41Å; R181-Y185 PolarHBondContact O-N 3.3Å; A182-Y185 PolarHBondContact O-N 3.47Å; Y185-E187 VanDerWaalsContact C-N 3.33Å; Y185-E187 PolarHBondContact O-N 3.3Å; Y185-N188 PolarHBondContact O-N 3.27Å; Y185-Q189 HydrophobicContact CD1-CG 4.08Å; Y185-Q189 HydrophobicContact CE1-CG 3.7Å; Y185-Q189 HydrophobicContact CE2-CG 4.31Å; Y185-Q189 WeakPolarHBondContact O-CB 3.36Å; Y185-Q189 VanDerWaalsContact O-CG 3.3Å; Y185-Q189 WeakPolarHBondContact O-CG 3.38Å; Y185-Q189 PolarHBondContact O-N 2.87Å; Y185-Q189 PolarHBondContact OH-NE2 3.21Å; Y185-Q189 VanDerWaalsContact OH-NE2 3.1Å |
| 186 | R | 96.8 | Very high | 96.3 | Very high | 157 Ų | 157 | 105.3 Ų | 105.3 | 59% | 0.592 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.9 | -44.3 | 175.9 | -172.4 | -170.9 | 71.8 | 82.9 | 1.8 | 111.8 | A182 N183 Q184 Q189 L190 | A182-R186 WeakPolarHBondContact O-CB 3.36Å; A182-R186 PolarHBondContact O-N 2.98Å; N183-R186 PolarHBondContact O-N 3.3Å; Q184-R186 PolarHBondContact O-N 3.44Å; R186-Q189 PolarHBondContact O-N 3.09Å; R186-L190 WeakPolarHBondContact O-CB 3.45Å; R186-L190 PolarHBondContact O-N 2.99Å |
| 187 | E | 96.3 | Very high | 96.2 | Very high | 95 Ų | 95 | 104.1 Ų | 104.1 | 44% | 0.444 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 178.8 | -168.5 | -173 | 154.1 | 0 | 0 | 111.7 | N183 Q184 Y185 L190 K191 | N183-E187 WeakPolarHBondContact O-CB 3.42Å; N183-E187 PolarHBondContact O-N 3.06Å; Q184-E187 PolarHBondContact O-N 3.21Å; Y185-E187 VanDerWaalsContact C-N 3.33Å; Y185-E187 PolarHBondContact O-N 3.3Å; E187-L190 WeakPolarHBondContact O-CB 3.33Å; E187-L190 PolarHBondContact O-N 3.34Å; E187-K191 WeakPolarHBondContact O-CG 3.22Å; E187-K191 PolarHBondContact O-N 2.9Å; E187-K191 WeakPolarHBondContact OE1-CE 3.43Å; E187-K191 IonicContact OE1-NZ 2.69Å; E187-K191 PolarHBondContact OE1-NZ 3.05Å |
| 188 | N | 95.8 | Very high | 96 | Very high | 93 Ų | 93 | 101.4 Ų | 101.4 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 177.2 | -165.8 | 43.7 | 0 | 0 | 0 | 111.3 | Q184 Y185 L190 K191 V192 | Q184-N188 WeakPolarHBondContact O-CB 3.4Å; Q184-N188 PolarHBondContact O-N 2.9Å; Y185-N188 PolarHBondContact O-N 3.27Å; N188-L190 VanDerWaalsContact C-N 3.29Å; N188-L190 PolarHBondContact O-N 3.03Å; N188-K191 WeakPolarHBondContact O-CB 3.35Å; N188-K191 PolarHBondContact O-N 3.25Å; N188-K191 VanDerWaalsContact O-N 3.14Å; N188-V192 WeakPolarHBondContact O-CG2 3.46Å; N188-V192 PolarHBondContact O-N 2.95Å |
| 189 | Q | 94.7 | Very high | 95.9 | Very high | 85 Ų | 85 | 101.2 Ų | 101.2 | 40% | 0.397 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.3 | -38.9 | 175.2 | -72.8 | -63.7 | -11.8 | 0 | 0 | 112.3 | Y185 R186 K193 | Y185-Q189 HydrophobicContact CD1-CG 4.08Å; Y185-Q189 HydrophobicContact CE1-CG 3.7Å; Y185-Q189 HydrophobicContact CE2-CG 4.31Å; Y185-Q189 WeakPolarHBondContact O-CB 3.36Å; Y185-Q189 VanDerWaalsContact O-CG 3.3Å; Y185-Q189 WeakPolarHBondContact O-CG 3.38Å; Y185-Q189 PolarHBondContact O-N 2.87Å; Y185-Q189 PolarHBondContact OH-NE2 3.21Å; Y185-Q189 VanDerWaalsContact OH-NE2 3.1Å; R186-Q189 PolarHBondContact O-N 3.09Å; Q189-K193 VanDerWaalsContact O-CB 3.3Å; Q189-K193 WeakPolarHBondContact O-CB 3.24Å; Q189-K193 PolarHBondContact O-N 3.39Å |
| 190 | L | 95.6 | Very high | 95.7 | Very high | 97 Ų | 97 | 100.9 Ų | 100.9 | 51% | 0.508 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 174.5 | -163.9 | 83.9 | 0 | 0 | 0 | 111.3 | R186 E187 N188 K193 V194 | R186-L190 WeakPolarHBondContact O-CB 3.45Å; R186-L190 PolarHBondContact O-N 2.99Å; E187-L190 WeakPolarHBondContact O-CB 3.33Å; E187-L190 PolarHBondContact O-N 3.34Å; N188-L190 VanDerWaalsContact C-N 3.29Å; N188-L190 PolarHBondContact O-N 3.03Å; L190-K193 PolarHBondContact O-N 3.14Å; L190-V194 WeakPolarHBondContact O-CG2 3.35Å; L190-V194 PolarHBondContact O-N 3.44Å |
| 191 | K | 95.8 | Very high | 95.4 | Very high | 119 Ų | 119 | 100.5 Ų | 100.5 | 52% | 0.517 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61 | -48.6 | 176.9 | -72.2 | 172 | -176.5 | 166.7 | 0 | 111.6 | E187 N188 K193 V194 Q195 | E187-K191 WeakPolarHBondContact O-CG 3.22Å; E187-K191 PolarHBondContact O-N 2.9Å; E187-K191 WeakPolarHBondContact OE1-CE 3.43Å; E187-K191 IonicContact OE1-NZ 2.69Å; E187-K191 PolarHBondContact OE1-NZ 3.05Å; N188-K191 WeakPolarHBondContact O-CB 3.35Å; N188-K191 PolarHBondContact O-N 3.25Å; N188-K191 VanDerWaalsContact O-N 3.14Å; K191-K193 VanDerWaalsContact C-N 3.33Å; K191-K193 PolarHBondContact O-N 3.21Å; K191-V194 PolarHBondContact O-N 3.16Å; K191-Q195 WeakPolarHBondContact O-CB 3.49Å; K191-Q195 PolarHBondContact O-N 3.48Å |
| 192 | V | 95.6 | Very high | 95.2 | Very high | 64 Ų | 64 | 95.5 Ų | 95.5 | 39% | 0.388 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.9 | -46.1 | 176.8 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | N188 V194 Q195 V196 | N188-V192 WeakPolarHBondContact O-CG2 3.46Å; N188-V192 PolarHBondContact O-N 2.95Å; V192-V194 PolarHBondContact O-N 3.21Å; V192-Q195 PolarHBondContact O-N 3.1Å; V192-V196 HydrophobicContact CG1-CG2 4.38Å; V192-V196 WeakPolarHBondContact O-CG2 3.21Å; V192-V196 PolarHBondContact O-N 2.97Å |
| 193 | K | 95.1 | Very high | 94.9 | Very high | 126 Ų | 126 | 98 Ų | 98 | 55% | 0.548 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.5 | -48.8 | 178 | -177.7 | 179.9 | 170.7 | -177.9 | 0 | 112 | Q189 L190 K191 Q195 V196 E197 | Q189-K193 VanDerWaalsContact O-CB 3.3Å; Q189-K193 WeakPolarHBondContact O-CB 3.24Å; Q189-K193 PolarHBondContact O-N 3.39Å; L190-K193 PolarHBondContact O-N 3.14Å; K191-K193 VanDerWaalsContact C-N 3.33Å; K191-K193 PolarHBondContact O-N 3.21Å; K193-Q195 VanDerWaalsContact C-N 3.32Å; K193-Q195 PolarHBondContact O-N 3.41Å; K193-V196 PolarHBondContact O-N 3.28Å; K193-E197 WeakPolarHBondContact CE-OE1 3.22Å; K193-E197 IonicContact NZ-OE1 3.87Å; K193-E197 WeakPolarHBondContact O-CG 3.42Å; K193-E197 PolarHBondContact O-N 3.42Å |
| 194 | V | 95.9 | Very high | 94.5 | Very high | 74 Ų | 74 | 99 Ų | 99 | 45% | 0.448 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 178.7 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | L190 K191 V192 E197 T198 | L190-V194 WeakPolarHBondContact O-CG2 3.35Å; L190-V194 PolarHBondContact O-N 3.44Å; K191-V194 PolarHBondContact O-N 3.16Å; V192-V194 PolarHBondContact O-N 3.21Å; V194-E197 PolarHBondContact O-N 3.1Å; V194-T198 WeakPolarHBondContact O-CB 3.44Å; V194-T198 PolarHBondContact O-N 2.87Å; V194-T198 PolarHBondContact O-OG1 3.03Å |
| 195 | Q | 95.1 | Very high | 94.2 | Very high | 127 Ų | 127 | 99.4 Ų | 99.4 | 59% | 0.593 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.4 | -48.1 | 177.2 | -169.3 | 173 | 18.6 | 0 | 0 | 111 | K191 V192 K193 E197 T198 E199 | K191-Q195 WeakPolarHBondContact O-CB 3.49Å; K191-Q195 PolarHBondContact O-N 3.48Å; V192-Q195 PolarHBondContact O-N 3.1Å; K193-Q195 VanDerWaalsContact C-N 3.32Å; K193-Q195 PolarHBondContact O-N 3.41Å; Q195-E197 PolarHBondContact O-N 3.34Å; Q195-T198 PolarHBondContact O-N 3.48Å; Q195-T198 VanDerWaalsContact O-N 3.17Å; Q195-E199 WeakPolarHBondContact O-CG 3.42Å; Q195-E199 PolarHBondContact O-N 3.34Å |
| 196 | V | 94.8 | Very high | 93.7 | Very high | 83 Ų | 83 | 96.2 Ų | 96.2 | 50% | 0.503 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.4 | -45.8 | 176 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | V192 K193 T198 E199 V200 | V192-V196 HydrophobicContact CG1-CG2 4.38Å; V192-V196 WeakPolarHBondContact O-CG2 3.21Å; V192-V196 PolarHBondContact O-N 2.97Å; K193-V196 PolarHBondContact O-N 3.28Å; V196-T198 VanDerWaalsContact C-N 3.28Å; V196-T198 PolarHBondContact O-N 2.86Å; V196-E199 PolarHBondContact O-N 3.21Å; V196-V200 HydrophobicContact CG1-CG2 4.38Å; V196-V200 WeakPolarHBondContact O-CB 3.27Å; V196-V200 VanDerWaalsContact O-CG2 3.26Å; V196-V200 WeakPolarHBondContact O-CG2 3.46Å; V196-V200 PolarHBondContact O-N 2.99Å |
| 197 | E | 94.1 | Very high | 92.9 | Very high | 107 Ų | 107 | 94.6 Ų | 94.6 | 50% | 0.5 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.3 | -37.8 | 176.8 | -74.5 | 174.5 | 174.3 | 0 | 0 | 112.2 | K193 V194 Q195 S201 | K193-E197 WeakPolarHBondContact CE-OE1 3.22Å; K193-E197 IonicContact NZ-OE1 3.87Å; K193-E197 WeakPolarHBondContact O-CG 3.42Å; K193-E197 PolarHBondContact O-N 3.42Å; V194-E197 PolarHBondContact O-N 3.1Å; Q195-E197 PolarHBondContact O-N 3.34Å; E197-S201 WeakPolarHBondContact O-CB 3.5Å; E197-S201 PolarHBondContact O-N 3.18Å |
| 198 | T | 94.4 | Very high | 92.3 | Very high | 67 Ų | 67 | 97.3 Ų | 97.3 | 41% | 0.411 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.2 | -46.2 | 177.9 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | V194 Q195 V196 V200 S201 N202 | V194-T198 WeakPolarHBondContact O-CB 3.44Å; V194-T198 PolarHBondContact O-N 2.87Å; V194-T198 PolarHBondContact O-OG1 3.03Å; Q195-T198 PolarHBondContact O-N 3.48Å; Q195-T198 VanDerWaalsContact O-N 3.17Å; V196-T198 VanDerWaalsContact C-N 3.28Å; V196-T198 PolarHBondContact O-N 2.86Å; T198-V200 PolarHBondContact O-N 3.26Å; T198-S201 WeakPolarHBondContact O-CB 3.33Å; T198-S201 PolarHBondContact O-N 3.41Å; T198-N202 VanDerWaalsContact O-CG 3.3Å; T198-N202 PolarHBondContact O-N 3.47Å; T198-N202 PolarHBondContact O-ND2 3.11Å |
| 199 | E | 93.8 | Very high | 91.3 | Very high | 103 Ų | 103 | 96 Ų | 96 | 48% | 0.481 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 176.4 | -68.6 | -54.7 | 136 | 0 | 0 | 111.5 | Q195 V196 S201 N202 L203 | Q195-E199 WeakPolarHBondContact O-CG 3.42Å; Q195-E199 PolarHBondContact O-N 3.34Å; V196-E199 PolarHBondContact O-N 3.21Å; E199-S201 VanDerWaalsContact C-N 3.34Å; E199-S201 PolarHBondContact O-N 3.05Å; E199-N202 PolarHBondContact O-N 3.15Å; E199-L203 WeakPolarHBondContact O-CB 3.44Å; E199-L203 WeakPolarHBondContact O-CG 3.43Å; E199-L203 PolarHBondContact O-N 3.49Å |
| 200 | V | 93.4 | Very high | 90.2 | Very high | 72 Ų | 72 | 96 Ų | 96 | 44% | 0.436 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 174.9 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | V196 T198 L203 Q204 | V196-V200 HydrophobicContact CG1-CG2 4.38Å; V196-V200 WeakPolarHBondContact O-CB 3.27Å; V196-V200 VanDerWaalsContact O-CG2 3.26Å; V196-V200 WeakPolarHBondContact O-CG2 3.46Å; V196-V200 PolarHBondContact O-N 2.99Å; T198-V200 PolarHBondContact O-N 3.26Å; V200-L203 PolarHBondContact O-N 3.1Å; V200-Q204 WeakPolarHBondContact O-CG 3.5Å; V200-Q204 PolarHBondContact O-N 3.02Å |
| 201 | S | 92.4 | Very high | 88.6 | Confident | 49 Ų | 49 | 95.5 Ų | 95.5 | 34% | 0.343 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 176.6 | -173.7 | 0 | 0 | 0 | 0 | 112.3 | E197 T198 E199 Q204 K205 | E197-S201 WeakPolarHBondContact O-CB 3.5Å; E197-S201 PolarHBondContact O-N 3.18Å; T198-S201 WeakPolarHBondContact O-CB 3.33Å; T198-S201 PolarHBondContact O-N 3.41Å; E199-S201 VanDerWaalsContact C-N 3.34Å; E199-S201 PolarHBondContact O-N 3.05Å; S201-Q204 PolarHBondContact O-N 2.92Å; S201-K205 WeakPolarHBondContact O-CG 3.44Å; S201-K205 PolarHBondContact O-N 3.41Å; S201-K205 VanDerWaalsContact O-N 3.08Å |
| 202 | N | 91.6 | Very high | 86.8 | Confident | 68 Ų | 68 | 93.6 Ų | 93.6 | 36% | 0.364 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.9 | -45.8 | 177.7 | -70.8 | -20.9 | 0 | 0 | 0 | 111.6 | T198 E199 Q204 K205 T206 | T198-N202 VanDerWaalsContact O-CG 3.3Å; T198-N202 PolarHBondContact O-N 3.47Å; T198-N202 PolarHBondContact O-ND2 3.11Å; E199-N202 PolarHBondContact O-N 3.15Å; N202-Q204 VanDerWaalsContact C-N 3.34Å; N202-Q204 PolarHBondContact O-N 3.03Å; N202-K205 PolarHBondContact O-N 3.43Å; N202-K205 VanDerWaalsContact O-N 3.15Å; N202-T206 PolarHBondContact O-N 3.25Å; N202-T206 PolarHBondContact O-OG1 3.31Å; N202-T206 VanDerWaalsContact O-OG1 3.13Å |
| 203 | L | 91.4 | Very high | 84.5 | Confident | 110 Ų | 110 | 95.1 Ų | 95.1 | 58% | 0.576 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.6 | -43.1 | 175.3 | -72.9 | 171.3 | 0 | 0 | 0 | 111.9 | E199 V200 K205 T206 L207 | E199-L203 WeakPolarHBondContact O-CB 3.44Å; E199-L203 WeakPolarHBondContact O-CG 3.43Å; E199-L203 PolarHBondContact O-N 3.49Å; V200-L203 PolarHBondContact O-N 3.1Å; L203-K205 VanDerWaalsContact C-N 3.32Å; L203-K205 PolarHBondContact O-N 3.18Å; L203-T206 PolarHBondContact O-N 3.33Å; L203-L207 WeakPolarHBondContact O-CB 3.22Å; L203-L207 WeakPolarHBondContact O-CG 3.29Å; L203-L207 PolarHBondContact O-N 3.12Å |
| 204 | Q | 89.3 | Confident | 82.3 | Confident | 108 Ų | 108 | 95.1 Ų | 95.1 | 51% | 0.505 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -60.4 | -39.8 | 175 | -76.7 | -178.2 | 10.9 | 0 | 0 | 112.6 | V200 S201 N202 K208 | V200-Q204 WeakPolarHBondContact O-CG 3.5Å; V200-Q204 PolarHBondContact O-N 3.02Å; S201-Q204 PolarHBondContact O-N 2.92Å; N202-Q204 VanDerWaalsContact C-N 3.34Å; N202-Q204 PolarHBondContact O-N 3.03Å; Q204-K208 WeakPolarHBondContact O-CG 3.28Å; Q204-K208 PolarHBondContact O-N 3.34Å; Q204-K208 VanDerWaalsContact O-N 3.1Å |
| 205 | K | 89.6 | Confident | 79.7 | Confident | 130 Ų | 130 | 97.5 Ų | 97.5 | 57% | 0.565 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.2 | -44.9 | 176.9 | -71.7 | 171 | -172.3 | 169.8 | 0 | 111.6 | S201 N202 L203 K208 A209 | S201-K205 WeakPolarHBondContact O-CG 3.44Å; S201-K205 PolarHBondContact O-N 3.41Å; S201-K205 VanDerWaalsContact O-N 3.08Å; N202-K205 PolarHBondContact O-N 3.43Å; N202-K205 VanDerWaalsContact O-N 3.15Å; L203-K205 VanDerWaalsContact C-N 3.32Å; L203-K205 PolarHBondContact O-N 3.18Å; K205-K208 PolarHBondContact O-N 3.19Å; K205-A209 WeakPolarHBondContact O-CB 3.4Å; K205-A209 PolarHBondContact O-N 3.41Å |
| 206 | T | 85.5 | Confident | 77.1 | Confident | 86 Ų | 86 | 97.2 Ų | 97.2 | 53% | 0.528 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.1 | -45.1 | 177.8 | -56 | 0 | 0 | 0 | 0 | 111.4 | N202 L203 K208 A209 S210 | N202-T206 PolarHBondContact O-N 3.25Å; N202-T206 PolarHBondContact O-OG1 3.31Å; N202-T206 VanDerWaalsContact O-OG1 3.13Å; L203-T206 PolarHBondContact O-N 3.33Å; T206-K208 VanDerWaalsContact C-N 3.34Å; T206-K208 PolarHBondContact O-N 3.37Å; T206-A209 PolarHBondContact O-N 3.18Å; T206-S210 PolarHBondContact O-N 3.42Å; T206-S210 PolarHBondContact O-OG 2.74Å |
| 207 | L | 81 | Confident | 74.4 | Confident | 123 Ų | 123 | 96.8 Ų | 96.8 | 64% | 0.644 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -59.4 | -42.9 | 175.6 | -75.3 | 167.1 | 0 | 0 | 0 | 112.1 | L203 A211 | L203-L207 WeakPolarHBondContact O-CB 3.22Å; L203-L207 WeakPolarHBondContact O-CG 3.29Å; L203-L207 PolarHBondContact O-N 3.12Å; L207-A211 WeakPolarHBondContact O-CB 3.47Å; L207-A211 PolarHBondContact O-N 3.19Å |
| 208 | K | 82.6 | Confident | 72.3 | Confident | 153 Ų | 153 | 97.7 Ų | 97.7 | 67% | 0.665 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65 | -38.1 | 175.4 | -76.4 | 177.9 | -179.5 | 179 | 0 | 112.7 | Q204 K205 T206 A212 | Q204-K208 WeakPolarHBondContact O-CG 3.28Å; Q204-K208 PolarHBondContact O-N 3.34Å; Q204-K208 VanDerWaalsContact O-N 3.1Å; K205-K208 PolarHBondContact O-N 3.19Å; T206-K208 VanDerWaalsContact C-N 3.34Å; T206-K208 PolarHBondContact O-N 3.37Å; K208-A212 PolarHBondContact O-N 3.32Å |
| 209 | A | 76.3 | Confident | 69.6 | Low | 64 Ų | 64 | 99 Ų | 99 | 53% | 0.529 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -69.8 | -40.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K205 T206 A211 A212 | K205-A209 WeakPolarHBondContact O-CB 3.4Å; K205-A209 PolarHBondContact O-N 3.41Å; T206-A209 PolarHBondContact O-N 3.18Å; A209-A211 VanDerWaalsContact C-N 3.32Å; A209-A211 PolarHBondContact O-N 2.78Å; A209-A212 PolarHBondContact O-N 3.28Å; A209-A212 VanDerWaalsContact O-N 3.14Å |
| 210 | S | 70.1 | Confident | 67.5 | Low | 85 Ų | 85 | 100.1 Ų | 100.1 | 59% | 0.594 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67.8 | -30 | 175.2 | -64.3 | 0 | 0 | 0 | 0 | 113 | T206 A212 | T206-S210 PolarHBondContact O-N 3.42Å; T206-S210 PolarHBondContact O-OG 2.74Å; S210-A212 PolarHBondContact O-N 3.25Å |
| 211 | A | 63.3 | Low | 64.9 | Low | 88 Ų | 88 | 101.8 Ų | 101.8 | 73% | 0.727 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -11.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L207 A209 | L207-A211 WeakPolarHBondContact O-CB 3.47Å; L207-A211 PolarHBondContact O-N 3.19Å; A209-A211 VanDerWaalsContact C-N 3.32Å; A209-A211 PolarHBondContact O-N 2.78Å |
| 212 | A | 58.2 | Low | 62.1 | Low | 78 Ų | 78 | 103.3 Ų | 103.3 | 65% | 0.645 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | -0.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | K208 A209 S210 P214 | K208-A212 PolarHBondContact O-N 3.32Å; A209-A212 PolarHBondContact O-N 3.28Å; A209-A212 VanDerWaalsContact O-N 3.14Å; S210-A212 PolarHBondContact O-N 3.25Å; A212-P214 WeakPolarHBondContact O-CD 3.44Å |
| 213 | S | 46.6 | Very low | 59.5 | Low | 97 Ų | 97 | 105 Ų | 105 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -85.2 | 115.4 | 170.8 | -73 | 0 | 0 | 0 | 0 | 110.5 | ||
| 214 | P | 49.2 | Very low | 56.7 | Low | 126 Ų | 126 | 104.2 Ų | 104.2 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | trans | -84.4 | 119.7 | -176.6 | 31.6 | -28.9 | 0 | 0 | 0 | 110.7 | A212 | A212-P214 WeakPolarHBondContact O-CD 3.44Š| ||
| 215 | S | 41.4 | Very low | 54.2 | Low | 123 Ų | 123 | 104 Ų | 104 | 86% | 0.86 | 73% | 0.731 | S | S | * | * | trans | -91.3 | 127 | 153.7 | 70.9 | 0 | 0 | 0 | 0 | 108.7 | G217 | S215-G217 PolarHBondContact O-N 2.98Š| ||
| 216 | S | 41.1 | Very low | 51.6 | Low | 122 Ų | 122 | 105.2 Ų | 105.2 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | trans | -82 | 105.8 | -172.9 | 46.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 217 | G | 36.2 | Very low | 49.5 | Very low | 73 Ų | 73 | 109.5 Ų | 109.5 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | trans | 63.1 | 173.9 | 144.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | S215 | S215-G217 PolarHBondContact O-N 2.98Š| ||
| 218 | P | 50.2 | Low | 47.1 | Very low | 126 Ų | 126 | 111 Ų | 111 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | cis | -125.2 | 170.7 | -19.5 | 37.1 | -20.5 | 0 | 0 | 0 | 113.4 | ||||
| 219 | A | 39.6 | Very low | 45.1 | Very low | 94 Ų | 94 | 107.8 Ų | 107.8 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | trans | -59.9 | 160.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 220 | P | 48.5 | Very low | 43 | Very low | 128 Ų | 128 | 112.4 Ų | 112.4 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | -140.9 | 164.7 | 99.4 | 34.7 | -19.1 | 0 | 0 | 0 | 115.5 | |||||
| 221 | A | 39.9 | Very low | 41.5 | Very low | 106 Ų | 106 | 116.3 Ų | 116.3 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | trans | -67.2 | 154.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 222 | G | 32.6 | Very low | 40.5 | Very low | 81 Ų | 81 | 117.7 Ų | 117.7 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | 171.9 | 116.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 223 | A | 36.3 | Very low | 39.4 | Very low | 104 Ų | 104 | 118.1 Ų | 118.1 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -75 | 156.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 224 | A | 34.2 | Very low | 38.9 | Very low | 93 Ų | 93 | 120.6 Ų | 120.6 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | 157 | 127.6 | 117.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 225 | S | 36.8 | Very low | 38.6 | Very low | 103 Ų | 103 | 120.4 Ų | 120.4 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | 32.7 | 125.3 | 139.9 | -57.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 226 | N | 34.2 | Very low | 38.3 | Very low | 157 Ų | 157 | 124.6 Ų | 124.6 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | 173.6 | 152.3 | 92.7 | -92.4 | -33.3 | 0 | 0 | 0 | 113.1 | |||||
| 227 | Q | 40.4 | Very low | 38.1 | Very low | 176 Ų | 176 | 126.4 Ų | 126.4 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -61.4 | 146.7 | 169.1 | -62 | 161.3 | 16.2 | 0 | 0 | 110.8 | ||||
| 228 | D | 32.3 | Very low | 38.2 | Very low | 155 Ų | 155 | 128.6 Ų | 128.6 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | -176.7 | 157.6 | 106.1 | -135 | -67.4 | 0 | 0 | 0 | 111.2 | |||||
| 229 | A | 39.9 | Very low | 37.3 | Very low | 84 Ų | 84 | 127.3 Ų | 127.3 | 69% | 0.694 | 80% | 0.796 | S | S | * | * | trans | -82.7 | 151.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 230 | D | 31.4 | Very low | 37 | Very low | 162 Ų | 162 | 128.3 Ų | 128.3 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | -169.5 | 149.6 | 123.4 | -150.7 | 13 | 0 | 0 | 0 | 112.1 | |||||
| 231 | Q | 39.3 | Very low | 36.2 | Very low | 167 Ų | 167 | 128.3 Ų | 128.3 | 78% | 0.78 | 80% | 0.8 | S | S | * | * | trans | -73.3 | 179.8 | -178.6 | -88.5 | -170.3 | 40.5 | 0 | 0 | 113.2 | ||||
| 232 | P | 42 | Very low | 35.9 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | cis | -151.8 | 165.9 | 32.1 | 40 | -15.9 | 0 | 0 | 0 | 121.5 | ||||
| 233 | A | 34.6 | Very low | 36.1 | Very low | 87 Ų | 87 | 137.7 Ų | 137.7 | 72% | 0.719 | 80% | 0.804 | S | S | * | * | trans | 54 | 110 | 139.4 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 234 | E | 37.6 | Very low | 36.1 | Very low | 150 Ų | 150 | 137.8 Ų | 137.8 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | 38.5 | 144.3 | 122.4 | -89 | -136.8 | 103.4 | 0 | 0 | 122.4 | R236 | E234-R236 PolarHBondContact OE1-N 3.32Š| |||
| 235 | P | 42.9 | Very low | 35.9 | Very low | 122 Ų | 122 | 144 Ų | 144 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | -146.1 | 142.2 | 68.6 | 35.8 | -15.5 | 0 | 0 | 0 | 119.2 | |||||
| 236 | R | 35.3 | Very low | 35.9 | Very low | 210 Ų | 210 | 146.4 Ų | 146.4 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | trans | 36.5 | 114.4 | 135.4 | -85.5 | -175.7 | 163.9 | 116.1 | -3.1 | 121.8 | E234 | E234-R236 PolarHBondContact OE1-N 3.32Š| ||
| 237 | D | 35.1 | Very low | 36.4 | Very low | 161 Ų | 161 | 144.4 Ų | 144.4 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -80.3 | 159.8 | 145 | -81.1 | -59.5 | 0 | 0 | 0 | 112.5 | ||||
| 238 | P | 39.8 | Very low | 35.8 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -116 | 142.8 | 150.3 | 34.9 | -22.8 | 0 | 0 | 0 | 113.4 | ||||
| 239 | A | 31.6 | Very low | 36.1 | Very low | 99 Ų | 99 | 142.4 Ų | 142.4 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | 105.8 | 105.5 | 140.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 240 | S | 32.5 | Very low | 35.8 | Very low | 114 Ų | 114 | 148.5 Ų | 148.5 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | 92.8 | 100.6 | 127 | -151.9 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 241 | S | 32.5 | Very low | 36 | Very low | 128 Ų | 128 | 145.4 Ų | 145.4 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | trans | -104.8 | 124.2 | 153.8 | -66.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 242 | Q | 33.4 | Very low | 35.7 | Very low | 190 Ų | 190 | 143.7 Ų | 143.7 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | trans | -90.8 | 137 | 155.2 | -86.3 | -178.6 | -29.2 | 0 | 0 | 108.7 | ||||
| 243 | E | 36.5 | Very low | 35.3 | Very low | 194 Ų | 194 | 148.2 Ų | 148.2 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | trans | -63.7 | 162.8 | -179.9 | -87.2 | 176.8 | 86.7 | 0 | 0 | 115.6 | ||||
| 244 | P | 35.7 | Very low | 35.5 | Very low | 106 Ų | 106 | 150.7 Ų | 150.7 | 69% | 0.688 | 83% | 0.827 | S | S | * | * | trans | -116.6 | 150.2 | 173.6 | 39.7 | -27.4 | 0 | 0 | 0 | 116.6 | ||||
| 245 | R | 29.9 | Very low | 35.5 | Very low | 223 Ų | 223 | 153.7 Ų | 153.7 | 84% | 0.842 | 84% | 0.837 | S | S | * | * | trans | 78.8 | 147.5 | 148.5 | -69.6 | 179.6 | 178 | -175.9 | 1.2 | 119.5 | ||||
| 246 | Q | 36.5 | Very low | 35 | Very low | 154 Ų | 154 | 151 Ų | 151 | 72% | 0.72 | 83% | 0.832 | S | S | * | * | cis | -174.2 | -166 | 5.5 | -116.6 | -165.6 | 30.1 | 0 | 0 | 109 | ||||
| 247 | P | 45.3 | Very low | 35.1 | Very low | 116 Ų | 116 | 149.4 Ų | 149.4 | 75% | 0.753 | 84% | 0.838 | S | S | * | * | -131.3 | 169 | -54.2 | 37.8 | -19.8 | 0 | 0 | 0 | 114.4 | |||||
| 248 | G | 27.8 | Very low | 35.3 | Very low | 80 Ų | 80 | 153.5 Ų | 153.5 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | trans | -161.6 | 118.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 249 | K | 38.7 | Very low | 34.8 | Very low | 208 Ų | 208 | 151.2 Ų | 151.2 | 90% | 0.904 | 84% | 0.839 | S | S | * | * | trans | -76.6 | 143.9 | -173.6 | -65.1 | 171.7 | 174.8 | 174.7 | 0 | 113 | ||||
| 250 | K | 33 | Very low | 35 | Very low | 213 Ų | 213 | 153 Ų | 153 | 93% | 0.926 | 85% | 0.845 | S | S | * | * | -178.4 | 140.6 | 110.1 | -95.6 | 176.3 | -173.8 | -178.4 | 0 | 111.5 | |||||
| 251 | A | 35.4 | Very low | 35 | Very low | 97 Ų | 97 | 150.8 Ų | 150.8 | 80% | 0.802 | 84% | 0.841 | S | S | * | * | trans | -82.8 | 151 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 252 | S | 33 | Very low | 35.4 | Very low | 131 Ų | 131 | 155 Ų | 155 | 92% | 0.916 | 84% | 0.843 | S | S | * | * | trans | -155.1 | 149.5 | 146.1 | -104.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 253 | K | 34.3 | Very low | 35.9 | Very low | 210 Ų | 210 | 154.1 Ų | 154.1 | 91% | 0.913 | 84% | 0.843 | S | S | * | * | trans | -96.9 | 139.1 | -144.5 | -153.5 | 172.2 | -176.6 | 174.1 | 0 | 112.2 | ||||
| 254 | V | 38.9 | Very low | 36.1 | Very low | 140 Ų | 140 | 155.7 Ų | 155.7 | 85% | 0.848 | 84% | 0.84 | S | S | * | * | trans | -68.4 | 143.5 | 169.6 | 155.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 255 | K | 37.7 | Very low | 36.2 | Very low | 213 Ų | 213 | 156.2 Ų | 156.2 | 93% | 0.926 | 85% | 0.847 | S | S | * | * | trans | -165.7 | 128.9 | 151 | -146.2 | 176.1 | -176.1 | -177.1 | 0 | 106.4 | ||||
| 256 | G | 31.3 | Very low | 36.6 | Very low | 66 Ų | 66 | 154.3 Ų | 154.3 | 68% | 0.68 | 85% | 0.845 | S | S | * | * | cis | 173.6 | 155.5 | 3.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 257 | L | 38.6 | Very low | 36.8 | Very low | 175 Ų | 175 | 152.5 Ų | 152.5 | 92% | 0.916 | 85% | 0.849 | S | S | * | * | trans | -52.9 | 142.1 | 175.8 | -93.6 | 65.3 | 0 | 0 | 0 | 113.8 | ||||
| 258 | R | 38.4 | Very low | 36.4 | Very low | 248 Ų | 248 | 158.4 Ų | 158.4 | 94% | 0.936 | 87% | 0.874 | S | S | * | * | -166 | 123.9 | 128.5 | -113.6 | 175.6 | -174.8 | -114.6 | 2 | 111.2 | |||||
| 259 | G | 30.3 | Very low | 36.9 | Very low | 70 Ų | 70 | 162.4 Ų | 162.4 | 72% | 0.722 | 88% | 0.877 | S | S | * | * | trans | -85.7 | 164.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 260 | S | 34.6 | Very low | 36.8 | Very low | 136 Ų | 136 | 159.9 Ų | 159.9 | 95% | 0.951 | 88% | 0.875 | S | S | * | * | trans | 167.2 | 138.7 | 137.3 | -108.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 261 | G | 34 | Very low | 37 | Very low | 68 Ų | 68 | 157 Ų | 157 | 70% | 0.701 | 87% | 0.873 | S | S | * | * | trans | 143.2 | 74.7 | 155.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 262 | K | 39.5 | Very low | 37.1 | Very low | 217 Ų | 217 | 160.5 Ų | 160.5 | 94% | 0.943 | 88% | 0.877 | S | S | * | * | trans | -54.2 | 136.6 | 155.8 | -82.3 | 171.6 | 170.6 | 176.4 | 0 | 109.6 | ||||
| 263 | I | 45.5 | Very low | 37.3 | Very low | 171 Ų | 171 | 162.4 Ų | 162.4 | 88% | 0.877 | 87% | 0.874 | S | S | * | * | trans | -127.9 | 103.1 | 164.2 | -51.9 | 169.8 | 0 | 0 | 0 | 107.2 | ||||
| 264 | W | 39.1 | Very low | 37.5 | Very low | 227 Ų | 227 | 159.2 Ų | 159.2 | 86% | 0.86 | 87% | 0.872 | S | S | * | * | trans | -134.2 | 123.8 | 156.7 | -154.7 | -37.5 | 0 | 0 | 0 | 105.7 | ||||
| 265 | S | 39.2 | Very low | 37.4 | Very low | 118 Ų | 118 | 160.6 Ų | 160.6 | 83% | 0.825 | 87% | 0.873 | S | S | * | * | trans | -158.8 | 126.1 | 149.7 | -86.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 266 | K | 38.6 | Very low | 37.4 | Very low | 183 Ų | 183 | 156.5 Ų | 156.5 | 80% | 0.796 | 87% | 0.869 | S | S | * | * | trans | -80.3 | 166.2 | 163.5 | -89.1 | -179.2 | 167.9 | -179.1 | 0 | 110.3 | ||||
| 267 | S | 40.1 | Very low | 37.9 | Very low | 116 Ų | 116 | 164.1 Ų | 164.1 | 81% | 0.811 | 89% | 0.885 | S | S | * | * | trans | 94.4 | 107.3 | 157.9 | -60.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 268 | N | 37 | Very low | 37.8 | Very low | 240 Ų | 240 | 163.1 Ų | 163.1 | 100% | 1.283 | 88% | 0.882 | S | S | * | * | -143.3 | 0 | 96.3 | -121.6 | 11 | 0 | 0 | 0 | 109.9 |
Retrieved 268 of 268 residues in 84 ms
(Link to these results)