| 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 | 49.8 | Very low | 67.9 | Low | 115 Ų | 115 | 84.9 Ų | 84.9 | 57% | 0.567 | 47% | 0.468 | S | S | * | . | 0 | 115 | 0 | -157.6 | -176.2 | -53.2 | 0 | 0 | 105.3 | A17 | M1-A17 HydrophobicContact SD-CB 4.37Š| |||
| 2 | E | 56.7 | Low | 69 | Low | 139 Ų | 139 | 85.3 Ų | 85.3 | 65% | 0.65 | 48% | 0.478 | S | S | * | . | trans | -69 | 137.9 | -178.9 | -70.4 | 172.8 | 159.1 | 0 | 0 | 108.9 | E4 Q5 | E2-E4 PolarHBondContact O-N 3.43Å; E2-Q5 WeakPolarHBondContact O-CB 3.41Å; E2-Q5 PolarHBondContact O-N 2.93Å | ||
| 3 | V | 62.1 | Low | 70.3 | Confident | 70 Ų | 70 | 82.2 Ų | 82.2 | 42% | 0.424 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -54.7 | -27.2 | -177 | -175.3 | 0 | 0 | 0 | 0 | 111.6 | Q5 L6 L36 | V3-Q5 VanDerWaalsContact C-N 3.29Å; V3-Q5 PolarHBondContact O-N 2.72Å; V3-L6 WeakPolarHBondContact O-CB 3.47Å; V3-L6 PolarHBondContact O-N 3.48Å; V3-L36 HydrophobicContact CG1-CD1 3.96Å; V3-L36 HydrophobicContact CG1-CD2 4.38Å |
| 4 | E | 60.6 | Low | 71.4 | Confident | 153 Ų | 153 | 76.4 Ų | 76.4 | 72% | 0.715 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -62.9 | -28.5 | 175.6 | -61.6 | -163.7 | 159.8 | 0 | 0 | 114.1 | E2 L6 L7 | E2-E4 PolarHBondContact O-N 3.43Å; E4-L6 VanDerWaalsContact C-N 3.3Å; E4-L6 PolarHBondContact O-N 3.29Å; E4-L7 WeakPolarHBondContact O-CB 3.43Å; E4-L7 PolarHBondContact O-N 3.31Å |
| 5 | Q | 66.3 | Low | 72.2 | Confident | 104 Ų | 104 | 72 Ų | 72 | 49% | 0.486 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -70.6 | -29.6 | 177.9 | -68.2 | 179.3 | -7.3 | 0 | 0 | 111.6 | E2 V3 L7 S8 | E2-Q5 WeakPolarHBondContact O-CB 3.41Å; E2-Q5 PolarHBondContact O-N 2.93Å; V3-Q5 VanDerWaalsContact C-N 3.29Å; V3-Q5 PolarHBondContact O-N 2.72Å; Q5-L7 VanDerWaalsContact C-N 3.26Å; Q5-L7 PolarHBondContact O-N 3.11Å; Q5-S8 PolarHBondContact O-N 3.41Å; Q5-S8 PolarHBondContact O-OG 3.21Å |
| 6 | L | 71.4 | Confident | 73 | Confident | 2 Ų | 2 | 76.4 Ų | 76.4 | 1% | 0.01 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -66.6 | -28.7 | 176.7 | -69.4 | 165 | 0 | 0 | 0 | 112.3 | V3 E4 S8 L9 L14 A17 L21 I33 L36 N38 | V3-L6 WeakPolarHBondContact O-CB 3.47Å; V3-L6 PolarHBondContact O-N 3.48Å; E4-L6 VanDerWaalsContact C-N 3.3Å; E4-L6 PolarHBondContact O-N 3.29Å; L6-S8 PolarHBondContact O-N 3.42Å; L6-L9 PolarHBondContact O-N 3.1Å; L6-L14 HydrophobicContact CB-CD1 4.47Å; L6-L14 HydrophobicContact CD2-CD1 3.85Å; L6-A17 HydrophobicContact CD2-CB 3.56Å; L6-L21 HydrophobicContact CD1-CD2 3.95Å; L6-I33 HydrophobicContact CD1-CG2 4.22Å; L6-L36 HydrophobicContact CB-CD1 4.17Å; L6-L36 HydrophobicContact CD1-CD1 4.46Å; L6-N38 PolarHBondContact O-ND2 3.48Å |
| 7 | L | 69 | Low | 73.8 | Confident | 85 Ų | 85 | 72.3 Ų | 72.3 | 45% | 0.445 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -17.5 | 177.1 | -69.7 | 172.5 | 0 | 0 | 0 | 113.3 | E4 Q5 L36 N38 | E4-L7 WeakPolarHBondContact O-CB 3.43Å; E4-L7 PolarHBondContact O-N 3.31Å; Q5-L7 VanDerWaalsContact C-N 3.26Å; Q5-L7 PolarHBondContact O-N 3.11Å; L7-L36 HydrophobicContact CD2-CB 4.49Å; L7-L36 HydrophobicContact CD2-CD2 3.87Å; L7-L36 HydrophobicContact CG-CD2 4.47Å; L7-N38 VanDerWaalsContact CA-ND2 3.35Å; L7-N38 WeakPolarHBondContact CA-ND2 3.4Å; L7-N38 PolarHBondContact O-ND2 3.32Å |
| 8 | S | 73.8 | Confident | 74.6 | Confident | 96 Ų | 96 | 68.3 Ų | 68.3 | 67% | 0.671 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -10.1 | 178.5 | 72.1 | 0 | 0 | 0 | 0 | 114 | Q5 L6 | Q5-S8 PolarHBondContact O-N 3.41Å; Q5-S8 PolarHBondContact O-OG 3.21Å; L6-S8 PolarHBondContact O-N 3.42Å |
| 9 | L | 80.8 | Confident | 75.2 | Confident | 51 Ų | 51 | 67.2 Ų | 67.2 | 27% | 0.267 | 38% | 0.381 | S | S | . | . | trans | -99.3 | 144.6 | -174.4 | -60.7 | 176.5 | 0 | 0 | 0 | 111.4 | L6 A13 L14 A17 N38 | L6-L9 PolarHBondContact O-N 3.1Å; L9-A13 HydrophobicContact CD2-CB 4.24Å; L9-L14 HydrophobicContact CB-CB 4.24Å; L9-L14 HydrophobicContact CB-CD1 4.33Å; L9-A17 HydrophobicContact CD1-CB 3.71Å; L9-N38 PolarHBondContact O-ND2 3.28Å | ||
| 10 | S | 77.4 | Confident | 75.8 | Confident | 94 Ų | 94 | 66.6 Ų | 66.6 | 66% | 0.657 | 38% | 0.382 | S | S | * | . | trans | -138.8 | 155 | 176.5 | 65.7 | 0 | 0 | 0 | 0 | 112.1 | A13 | S10-A13 PolarHBondContact O-N 3.46Š| ||
| 11 | G | 78.8 | Confident | 76.4 | Confident | 25 Ų | 25 | 63.9 Ų | 63.9 | 26% | 0.258 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | -129.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | A13 L14 A15 | G11-A13 VanDerWaalsContact C-N 3.29Å; G11-A13 PolarHBondContact O-N 3.44Å; G11-L14 PolarHBondContact O-N 3.45Å; G11-A15 PolarHBondContact O-N 2.93Å; G11-A15 VanDerWaalsContact O-N 3.16Å |
| 12 | P | 81.8 | Confident | 78.2 | Confident | 90 Ų | 90 | 58.4 Ų | 58.4 | 58% | 0.584 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.2 | -33.5 | -175.3 | -22.9 | 32.5 | 0 | 0 | 0 | 114.2 | L14 A15 Q16 | P12-L14 VanDerWaalsContact C-N 3.35Å; P12-A15 PolarHBondContact O-N 2.98Å; P12-Q16 PolarHBondContact O-N 3.34Å; P12-Q16 VanDerWaalsContact O-N 3.07Å |
| 13 | A | 85.1 | Confident | 79.7 | Confident | 45 Ų | 45 | 55.9 Ų | 55.9 | 37% | 0.372 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.4 | -38.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L9 S10 G11 Q16 A17 | L9-A13 HydrophobicContact CD2-CB 4.24Å; S10-A13 PolarHBondContact O-N 3.46Å; G11-A13 VanDerWaalsContact C-N 3.29Å; G11-A13 PolarHBondContact O-N 3.44Å; A13-Q16 PolarHBondContact O-N 2.97Å; A13-A17 WeakPolarHBondContact O-CB 3.42Å; A13-A17 PolarHBondContact O-N 3.17Å |
| 14 | L | 85.4 | Confident | 80.9 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.1 | -40.8 | 174.8 | -176 | 60 | 0 | 0 | 0 | 111.3 | L6 L9 G11 P12 Q16 A17 I18 N38 V39 L42 | L6-L14 HydrophobicContact CB-CD1 4.47Å; L6-L14 HydrophobicContact CD2-CD1 3.85Å; L9-L14 HydrophobicContact CB-CB 4.24Å; L9-L14 HydrophobicContact CB-CD1 4.33Å; G11-L14 PolarHBondContact O-N 3.45Å; P12-L14 VanDerWaalsContact C-N 3.35Å; L14-Q16 VanDerWaalsContact C-N 3.35Å; L14-Q16 PolarHBondContact O-N 3.41Å; L14-A17 PolarHBondContact O-N 2.92Å; L14-I18 HydrophobicContact CG-CD1 4.15Å; L14-I18 VanDerWaalsContact O-CG1 3.31Å; L14-I18 WeakPolarHBondContact O-CG1 3.5Å; L14-I18 PolarHBondContact O-N 3.2Å; L14-N38 HydrophobicContact CD2-CB 3.95Å; L14-N38 VanDerWaalsContact CD2-O 3.28Å; L14-N38 WeakPolarHBondContact CD2-O 3.34Å; L14-V39 HydrophobicContact CD1-CG2 4.29Å; L14-V39 HydrophobicContact CD2-CG2 4.27Å; L14-L42 HydrophobicContact CD2-CD1 3.63Å; L14-L42 HydrophobicContact CD2-CD2 4.22Å; L14-L42 HydrophobicContact CD2-CG 3.94Å; L14-L42 HydrophobicContact CG-CD1 3.89Å |
| 15 | A | 84 | Confident | 82 | Confident | 10 Ų | 10 | 52.9 Ų | 52.9 | 8% | 0.083 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | G11 P12 S19 V50 | G11-A15 PolarHBondContact O-N 2.93Å; G11-A15 VanDerWaalsContact O-N 3.16Å; P12-A15 PolarHBondContact O-N 2.98Å; A15-S19 PolarHBondContact O-N 2.89Å; A15-S19 PolarHBondContact O-OG 3.45Å; A15-V50 HydrophobicContact CB-CG1 4.32Å; A15-V50 HydrophobicContact CB-CG2 4.21Å |
| 16 | Q | 85.6 | Confident | 82.7 | Confident | 142 Ų | 142 | 50.8 Ų | 50.8 | 66% | 0.664 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -68.4 | -38.8 | 173.7 | -76 | -175.1 | -11.9 | 0 | 0 | 112.5 | P12 A13 L14 S19 S20 | P12-Q16 PolarHBondContact O-N 3.34Å; P12-Q16 VanDerWaalsContact O-N 3.07Å; A13-Q16 PolarHBondContact O-N 2.97Å; L14-Q16 VanDerWaalsContact C-N 3.35Å; L14-Q16 PolarHBondContact O-N 3.41Å; Q16-S19 PolarHBondContact O-N 3.09Å; Q16-S20 PolarHBondContact O-N 3.45Å; Q16-S20 PolarHBondContact O-OG 2.93Å |
| 17 | A | 86.8 | Confident | 83.5 | Confident | 7 Ų | 7 | 53 Ų | 53 | 6% | 0.058 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | M1 L6 L9 A13 L14 S19 S20 L21 | M1-A17 HydrophobicContact SD-CB 4.37Å; L6-A17 HydrophobicContact CD2-CB 3.56Å; L9-A17 HydrophobicContact CD1-CB 3.71Å; A13-A17 WeakPolarHBondContact O-CB 3.42Å; A13-A17 PolarHBondContact O-N 3.17Å; L14-A17 PolarHBondContact O-N 2.92Å; A17-S19 VanDerWaalsContact C-N 3.33Å; A17-S19 PolarHBondContact O-N 3.14Å; A17-S20 WeakPolarHBondContact O-CB 3.35Å; A17-S20 PolarHBondContact O-N 2.94Å; A17-L21 VanDerWaalsContact O-CB 3.3Å; A17-L21 WeakPolarHBondContact O-CB 3.26Å; A17-L21 PolarHBondContact O-N 2.92Å |
| 18 | I | 87.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.8 | -45.4 | 173.4 | -68.4 | 166.4 | 0 | 0 | 0 | 110.3 | L14 S20 L21 L22 V39 L42 V50 L54 | L14-I18 HydrophobicContact CG-CD1 4.15Å; L14-I18 VanDerWaalsContact O-CG1 3.31Å; L14-I18 WeakPolarHBondContact O-CG1 3.5Å; L14-I18 PolarHBondContact O-N 3.2Å; I18-S20 VanDerWaalsContact C-N 3.32Å; I18-S20 PolarHBondContact O-N 3.34Å; I18-L21 WeakPolarHBondContact O-CB 3.49Å; I18-L21 PolarHBondContact O-N 3.24Å; I18-L21 VanDerWaalsContact O-N 3.1Å; I18-L22 HydrophobicContact CG2-CD1 4.31Å; I18-L22 HydrophobicContact CG2-CG 4.32Å; I18-L22 WeakPolarHBondContact O-CG 3.38Å; I18-L22 PolarHBondContact O-N 3.24Å; I18-V39 HydrophobicContact CD1-CG1 4.45Å; I18-L42 HydrophobicContact CD1-CD1 3.62Å; I18-V50 HydrophobicContact CB-CG1 4.07Å; I18-V50 HydrophobicContact CD1-CG1 4.09Å; I18-V50 HydrophobicContact CG2-CG1 3.83Å; I18-L54 HydrophobicContact CG2-CB 4.33Å; I18-L54 HydrophobicContact CG2-CD1 4.44Å |
| 19 | S | 85.9 | Confident | 84.9 | Confident | 47 Ų | 47 | 48.4 Ų | 48.4 | 33% | 0.329 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.8 | -43 | 178.5 | -58.6 | 0 | 0 | 0 | 0 | 112.1 | A15 Q16 A17 L21 L22 E23 Q79 | A15-S19 PolarHBondContact O-N 2.89Å; A15-S19 PolarHBondContact O-OG 3.45Å; Q16-S19 PolarHBondContact O-N 3.09Å; A17-S19 VanDerWaalsContact C-N 3.33Å; A17-S19 PolarHBondContact O-N 3.14Å; S19-L21 VanDerWaalsContact C-N 3.33Å; S19-L21 PolarHBondContact O-N 3.36Å; S19-L22 PolarHBondContact O-N 2.95Å; S19-E23 PolarHBondContact O-N 3.17Å; S19-Q79 PolarHBondContact O-NE2 2.97Å |
| 20 | S | 87.3 | Confident | 85.3 | Confident | 56 Ų | 56 | 46 Ų | 46 | 39% | 0.392 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.3 | -36 | 174.9 | -55.5 | 0 | 0 | 0 | 0 | 112.5 | Q16 A17 I18 E23 T24 | Q16-S20 PolarHBondContact O-N 3.45Å; Q16-S20 PolarHBondContact O-OG 2.93Å; A17-S20 WeakPolarHBondContact O-CB 3.35Å; A17-S20 PolarHBondContact O-N 2.94Å; I18-S20 VanDerWaalsContact C-N 3.32Å; I18-S20 PolarHBondContact O-N 3.34Å; S20-E23 PolarHBondContact O-N 3.02Å; S20-T24 PolarHBondContact O-N 3.4Å; S20-T24 VanDerWaalsContact O-N 3.16Å; S20-T24 PolarHBondContact O-OG1 2.93Å |
| 21 | L | 87.9 | Confident | 85.7 | Confident | 9 Ų | 9 | 42.1 Ų | 42.1 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.5 | -42.4 | 178.9 | -168.3 | 70.2 | 0 | 0 | 0 | 111.6 | L6 A17 I18 S19 E23 T24 L27 I33 K82 | L6-L21 HydrophobicContact CD1-CD2 3.95Å; A17-L21 VanDerWaalsContact O-CB 3.3Å; A17-L21 WeakPolarHBondContact O-CB 3.26Å; A17-L21 PolarHBondContact O-N 2.92Å; I18-L21 WeakPolarHBondContact O-CB 3.49Å; I18-L21 PolarHBondContact O-N 3.24Å; I18-L21 VanDerWaalsContact O-N 3.1Å; S19-L21 VanDerWaalsContact C-N 3.33Å; S19-L21 PolarHBondContact O-N 3.36Å; L21-E23 PolarHBondContact O-N 3.43Å; L21-T24 WeakPolarHBondContact O-CB 3.4Å; L21-T24 PolarHBondContact O-N 2.96Å; L21-T24 VanDerWaalsContact O-N 3.1Å; L21-L27 HydrophobicContact CD1-CD2 3.31Å; L21-L27 HydrophobicContact CD2-CD2 4.32Å; L21-L27 HydrophobicContact CG-CD2 3.46Å; L21-L27 VanDerWaalsContact CG-CD2 3.46Å; L21-I33 HydrophobicContact CD2-CB 4.39Å; L21-I33 HydrophobicContact CD2-CD1 3.45Å; L21-I33 VanDerWaalsContact CD2-CD1 3.45Å; L21-I33 HydrophobicContact CD2-CG1 3.9Å; L21-I33 HydrophobicContact CD2-CG2 3.77Å; L21-I33 HydrophobicContact CG-CD1 4.25Å; L21-K82 PolarHBondContact O-NZ 3.47Å |
| 22 | L | 88.3 | Confident | 86 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.5 | -31.7 | 172.8 | -67 | -179.5 | 0 | 0 | 0 | 111.2 | I18 S19 F30 L53 L54 F57 Q79 K82 | I18-L22 HydrophobicContact CG2-CD1 4.31Å; I18-L22 HydrophobicContact CG2-CG 4.32Å; I18-L22 WeakPolarHBondContact O-CG 3.38Å; I18-L22 PolarHBondContact O-N 3.24Å; S19-L22 PolarHBondContact O-N 2.95Å; L22-F30 HydrophobicContact CD2-CD1 4.24Å; L22-F30 HydrophobicContact CD2-CE1 3.77Å; L22-F30 HydrophobicContact CD2-CZ 4.06Å; L22-L53 HydrophobicContact CD1-CD2 3.85Å; L22-L53 HydrophobicContact CD1-CG 4.13Å; L22-L54 HydrophobicContact CD2-CD1 3.91Å; L22-F57 HydrophobicContact CD1-CD2 4.28Å; L22-F57 HydrophobicContact CD1-CE2 4.22Å; L22-F57 HydrophobicContact CD2-CB 3.92Å; L22-F57 HydrophobicContact CD2-CD1 3.8Å; L22-F57 HydrophobicContact CD2-CD2 4.01Å; L22-F57 HydrophobicContact CD2-CE1 4.3Å; L22-F57 HydrophobicContact CD2-CE2 4.48Å; L22-F57 HydrophobicContact CD2-CG 3.63Å; L22-Q79 HydrophobicContact CB-CG 4.1Å; L22-K82 WeakPolarHBondContact O-CD 3.3Å; L22-K82 WeakPolarHBondContact O-CE 3.47Å; L22-K82 PolarHBondContact O-NZ 2.93Å |
| 23 | E | 88 | Confident | 86.2 | Confident | 86 Ų | 86 | 42.2 Ų | 42.2 | 40% | 0.402 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -84 | -11.5 | 179.2 | -136.6 | 163.2 | -142.2 | 0 | 0 | 114 | S19 S20 L21 T76 A78 Q79 | S19-E23 PolarHBondContact O-N 3.17Å; S20-E23 PolarHBondContact O-N 3.02Å; L21-E23 PolarHBondContact O-N 3.43Å; E23-T76 VanDerWaalsContact OE1-CB 3.24Å; E23-T76 WeakPolarHBondContact OE1-CB 3.48Å; E23-T76 WeakPolarHBondContact OE1-CG2 3.47Å; E23-T76 PolarHBondContact OE1-OG1 3.5Å; E23-A78 HydrophobicContact CG-CB 3.74Å; E23-Q79 HydrophobicContact CB-CG 4.29Å; E23-Q79 HydrophobicContact CG-CG 4.1Å |
| 24 | T | 87.1 | Confident | 86.3 | Confident | 49 Ų | 49 | 40.7 Ų | 40.7 | 30% | 0.301 | 24% | 0.244 | S | C | . | . | trans | -68.8 | 122.8 | -176.6 | -61.3 | 0 | 0 | 0 | 0 | 110.6 | S20 L21 L27 K82 | S20-T24 PolarHBondContact O-N 3.4Å; S20-T24 VanDerWaalsContact O-N 3.16Å; S20-T24 PolarHBondContact O-OG1 2.93Å; L21-T24 WeakPolarHBondContact O-CB 3.4Å; L21-T24 PolarHBondContact O-N 2.96Å; L21-T24 VanDerWaalsContact O-N 3.1Å; T24-L27 HydrophobicContact CG2-CB 4.42Å; T24-K82 PolarHBondContact O-NZ 2.85Å | ||
| 25 | P | 83.3 | Confident | 86.3 | Confident | 111 Ų | 111 | 46.5 Ų | 46.5 | 72% | 0.721 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | 146 | 177.9 | 29 | -34.3 | 0 | 0 | 0 | 110.7 | L27 | P25-L27 PolarHBondContact O-N 3.46Š|
| 26 | G | 82.2 | Confident | 86.5 | Confident | 60 Ų | 60 | 47.2 Ų | 47.2 | 62% | 0.619 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | -14.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y28 | G26-Y28 PolarHBondContact O-N 3.47Š|
| 27 | L | 86.8 | Confident | 86.5 | Confident | 49 Ų | 49 | 44 Ų | 44 | 26% | 0.257 | 27% | 0.265 | S | S | . | . | trans | -90.2 | 99.6 | 175.1 | -179 | 67.4 | 0 | 0 | 0 | 111 | L21 T24 P25 V29 F30 I33 K82 | L21-L27 HydrophobicContact CD1-CD2 3.31Å; L21-L27 HydrophobicContact CD2-CD2 4.32Å; L21-L27 HydrophobicContact CG-CD2 3.46Å; L21-L27 VanDerWaalsContact CG-CD2 3.46Å; T24-L27 HydrophobicContact CG2-CB 4.42Å; P25-L27 PolarHBondContact O-N 3.46Å; L27-V29 WeakPolarHBondContact CD1-O 3.4Å; L27-F30 HydrophobicContact CD2-CE1 3.99Å; L27-F30 HydrophobicContact CG-CE1 4.09Å; L27-F30 HydrophobicContact CG-CZ 4.5Å; L27-F30 VanDerWaalsContact O-CZ 3.32Å; L27-F30 WeakPolarHBondContact O-CZ 3.37Å; L27-I33 HydrophobicContact CD2-CD1 4.23Å; L27-K82 WeakPolarHBondContact O-CE 3.41Å; L27-K82 PolarHBondContact O-NZ 3.5Å | ||
| 28 | Y | 86.4 | Confident | 86.4 | Confident | 21 Ų | 21 | 45.4 Ų | 45.4 | 8% | 0.082 | 27% | 0.272 | C | S | . | . | trans | -114.3 | 4.9 | 179.9 | -68.8 | -84.2 | 0 | 0 | 0 | 113.9 | G26 K82 H85 L86 I127 | G26-Y28 PolarHBondContact O-N 3.47Å; Y28-K82 HydrophobicContact CD1-CG 4.18Å; Y28-K82 HydrophobicContact CE1-CD 4.44Å; Y28-K82 HydrophobicContact CE1-CG 3.56Å; Y28-H85 HydrophobicContact CE1-CB 4.13Å; Y28-L86 HydrophobicContact CD1-CD2 3.75Å; Y28-L86 HydrophobicContact CD1-CG 4.02Å; Y28-L86 HydrophobicContact CG-CD2 4.45Å; Y28-I127 HydrophobicContact CD2-CD1 4.45Å; Y28-I127 HydrophobicContact CD2-CG1 4.27Å; Y28-I127 HydrophobicContact CE1-CD1 3.75Å; Y28-I127 HydrophobicContact CE1-CG1 4.49Å; Y28-I127 HydrophobicContact CE2-CD1 3.59Å; Y28-I127 HydrophobicContact CE2-CG1 3.71Å; Y28-I127 WeakPolarHBondContact OH-CD1 3.48Å | ||
| 29 | V | 87.4 | Confident | 86.3 | Confident | 62 Ų | 62 | 45.5 Ų | 45.5 | 38% | 0.376 | 27% | 0.272 | S | S | . | . | trans | -116.4 | 124.1 | -179.9 | -178.7 | 0 | 0 | 0 | 0 | 107.8 | L27 D148 | L27-V29 WeakPolarHBondContact CD1-O 3.4Å; V29-D148 WeakPolarHBondContact CG1-OD1 2.91Å | ||
| 30 | F | 88.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -126.8 | -8.9 | -172.9 | -60.6 | -76.3 | 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 3.77Å; L22-F30 HydrophobicContact CD2-CZ 4.06Å; L27-F30 HydrophobicContact CD2-CE1 3.99Å; L27-F30 HydrophobicContact CG-CE1 4.09Å; L27-F30 HydrophobicContact CG-CZ 4.5Å; L27-F30 VanDerWaalsContact O-CZ 3.32Å; L27-F30 WeakPolarHBondContact O-CZ 3.37Å; F30-D32 VanDerWaalsContact C-N 3.34Å; F30-D32 PolarHBondContact O-N 3.47Å; F30-I33 HydrophobicContact CD1-CD1 4.06Å; F30-I33 WeakPolarHBondContact O-CB 3.37Å; F30-I33 PolarHBondContact O-N 3.34Å; F30-I33 VanDerWaalsContact O-N 3.1Å; F30-L34 PolarHBondContact O-N 3.42Å; F30-L54 HydrophobicContact CB-CD1 4Å; F30-L54 HydrophobicContact CD1-CD1 3.8Å; F30-L54 HydrophobicContact CG-CD1 4.11Å; F30-F57 HydrophobicContact CD2-CB 3.98Å; F30-F57 HydrophobicContact CE2-CB 4Å; F30-F57 HydrophobicContact CE2-CD1 4.16Å; F30-F57 HydrophobicContact CZ-CD1 4.27Å; F30-A58 HydrophobicContact CB-CB 4.15Å; F30-L86 HydrophobicContact CE2-CD1 4.12Å; F30-D148 PolarHBondContact N-OD1 2.94Å; F30-D148 PolarHBondContact N-OD2 2.96Å | ||
| 31 | S | 85.2 | Confident | 86.2 | Confident | 14 Ų | 14 | 53.6 Ų | 53.6 | 10% | 0.098 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.2 | -46.6 | 179.6 | -77 | 0 | 0 | 0 | 0 | 112.3 | I33 L34 E35 Y59 D148 | S31-I33 PolarHBondContact O-N 3.34Å; S31-L34 WeakPolarHBondContact O-CB 3.32Å; S31-L34 PolarHBondContact O-N 3.35Å; S31-E35 WeakPolarHBondContact O-CG 3.35Å; S31-E35 PolarHBondContact O-N 3.47Å; S31-Y59 PolarHBondContact OG-OH 2.75Å; S31-D148 VanDerWaalsContact CB-OD1 3.27Å; S31-D148 WeakPolarHBondContact CB-OD1 3.39Å; S31-D148 PolarHBondContact N-OD1 3.32Å; S31-D148 VanDerWaalsContact OG-CB 3.29Å; S31-D148 WeakPolarHBondContact OG-CB 3.27Å; S31-D148 PolarHBondContact OG-OD1 3.03Å; S31-D148 VanDerWaalsContact OG-OD1 3.06Å |
| 32 | D | 85.3 | Confident | 86 | Confident | 111 Ų | 111 | 53.7 Ų | 53.7 | 59% | 0.594 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -58.8 | -35.1 | 179.3 | -62.9 | -19.7 | 0 | 0 | 0 | 112.1 | F30 | F30-D32 VanDerWaalsContact C-N 3.34Å; F30-D32 PolarHBondContact O-N 3.47Å |
| 33 | I | 86.7 | Confident | 85.8 | Confident | 5 Ų | 5 | 58.9 Ų | 58.9 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -75.7 | -36.5 | 178.9 | -61.4 | 141.5 | 0 | 0 | 0 | 110.5 | L6 L21 L27 F30 S31 E35 L36 V39 L54 | L6-I33 HydrophobicContact CD1-CG2 4.22Å; L21-I33 HydrophobicContact CD2-CB 4.39Å; L21-I33 HydrophobicContact CD2-CD1 3.45Å; L21-I33 VanDerWaalsContact CD2-CD1 3.45Å; L21-I33 HydrophobicContact CD2-CG1 3.9Å; L21-I33 HydrophobicContact CD2-CG2 3.77Å; L21-I33 HydrophobicContact CG-CD1 4.25Å; L27-I33 HydrophobicContact CD2-CD1 4.23Å; F30-I33 HydrophobicContact CD1-CD1 4.06Å; F30-I33 WeakPolarHBondContact O-CB 3.37Å; F30-I33 PolarHBondContact O-N 3.34Å; F30-I33 VanDerWaalsContact O-N 3.1Å; S31-I33 PolarHBondContact O-N 3.34Å; I33-E35 VanDerWaalsContact C-N 3.27Å; I33-E35 PolarHBondContact O-N 3.25Å; I33-L36 HydrophobicContact CG2-CD1 4.43Å; I33-L36 WeakPolarHBondContact O-CB 3.41Å; I33-L36 WeakPolarHBondContact O-CG 3.4Å; I33-L36 PolarHBondContact O-N 2.96Å; I33-V39 HydrophobicContact CG2-CG2 4.4Å; I33-V39 WeakPolarHBondContact O-CB 3.38Å; I33-V39 WeakPolarHBondContact O-CG2 3.41Å; I33-L54 HydrophobicContact CG2-CD2 3.99Å |
| 34 | L | 86.4 | Confident | 85.6 | Confident | 13 Ų | 13 | 61 Ų | 61 | 7% | 0.068 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.4 | -27.3 | 177.5 | -160.8 | 78.7 | 0 | 0 | 0 | 112.4 | F30 S31 L36 R40 Y51 L54 N55 Y59 | F30-L34 PolarHBondContact O-N 3.42Å; S31-L34 WeakPolarHBondContact O-CB 3.32Å; S31-L34 PolarHBondContact O-N 3.35Å; L34-L36 VanDerWaalsContact C-N 3.32Å; L34-R40 WeakPolarHBondContact O-CG 3.33Å; L34-Y51 HydrophobicContact CD1-CD2 4.18Å; L34-Y51 HydrophobicContact CD1-CE2 3.55Å; L34-Y51 HydrophobicContact CG-CE2 4.15Å; L34-L54 HydrophobicContact CD1-CB 4.4Å; L34-L54 HydrophobicContact CD1-CD2 3.92Å; L34-L54 HydrophobicContact CD1-CG 3.96Å; L34-N55 HydrophobicContact CD1-CB 4.3Å; L34-Y59 HydrophobicContact CD2-CE2 3.71Å |
| 35 | E | 86.1 | Confident | 85.3 | Confident | 124 Ų | 124 | 60 Ų | 60 | 58% | 0.579 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -14.5 | 177.3 | -72.5 | -173.7 | -178.6 | 0 | 0 | 113.8 | S31 I33 | S31-E35 WeakPolarHBondContact O-CG 3.35Å; S31-E35 PolarHBondContact O-N 3.47Å; I33-E35 VanDerWaalsContact C-N 3.27Å; I33-E35 PolarHBondContact O-N 3.25Å |
| 36 | L | 87.8 | Confident | 85.3 | Confident | 24 Ų | 24 | 60.5 Ų | 60.5 | 13% | 0.126 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -62.9 | 135.2 | 178.4 | -59.1 | 177.1 | 0 | 0 | 0 | 111.1 | V3 L6 L7 I33 L34 N38 V39 R40 | V3-L36 HydrophobicContact CG1-CD1 3.96Å; V3-L36 HydrophobicContact CG1-CD2 4.38Å; L6-L36 HydrophobicContact CB-CD1 4.17Å; L6-L36 HydrophobicContact CD1-CD1 4.46Å; L7-L36 HydrophobicContact CD2-CB 4.49Å; L7-L36 HydrophobicContact CD2-CD2 3.87Å; L7-L36 HydrophobicContact CG-CD2 4.47Å; I33-L36 HydrophobicContact CG2-CD1 4.43Å; I33-L36 WeakPolarHBondContact O-CB 3.41Å; I33-L36 WeakPolarHBondContact O-CG 3.4Å; I33-L36 PolarHBondContact O-N 2.96Å; L34-L36 VanDerWaalsContact C-N 3.32Å; L36-N38 VanDerWaalsContact C-N 3.34Å; L36-N38 PolarHBondContact O-N 2.94Å; L36-V39 HydrophobicContact CB-CB 4.28Å; L36-V39 HydrophobicContact CB-CG2 4.02Å; L36-V39 HydrophobicContact CD1-CG2 4.39Å; L36-V39 PolarHBondContact O-N 2.94Å; L36-R40 PolarHBondContact O-N 3.37Å |
| 37 | P | 85.5 | Confident | 85.4 | Confident | 75 Ų | 75 | 60.1 Ų | 60.1 | 49% | 0.487 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.8 | -43 | -176.1 | 22.1 | -32.2 | 0 | 0 | 0 | 112.1 | V39 R40 E41 | P37-V39 PolarHBondContact O-N 2.92Å; P37-R40 PolarHBondContact O-N 2.96Å; P37-R40 VanDerWaalsContact O-N 3.15Å; P37-E41 WeakPolarHBondContact O-CG 3.44Å; P37-E41 PolarHBondContact O-N 3.4Å |
| 38 | N | 85.5 | Confident | 85.3 | Confident | 37 Ų | 37 | 58.6 Ų | 58.6 | 20% | 0.198 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.2 | -32.9 | 178.6 | -55.4 | 7.9 | 0 | 0 | 0 | 112.6 | L6 L7 L9 L14 L36 | L6-N38 PolarHBondContact O-ND2 3.48Å; L7-N38 VanDerWaalsContact CA-ND2 3.35Å; L7-N38 WeakPolarHBondContact CA-ND2 3.4Å; L7-N38 PolarHBondContact O-ND2 3.32Å; L9-N38 PolarHBondContact O-ND2 3.28Å; L14-N38 HydrophobicContact CD2-CB 3.95Å; L14-N38 VanDerWaalsContact CD2-O 3.28Å; L14-N38 WeakPolarHBondContact CD2-O 3.34Å; L36-N38 VanDerWaalsContact C-N 3.34Å; L36-N38 PolarHBondContact O-N 2.94Å |
| 39 | V | 85.6 | Confident | 85.5 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -78.6 | -38.9 | 179.4 | 177.8 | 0 | 0 | 0 | 0 | 110 | L14 I18 I33 L36 P37 E41 L42 Y51 L54 | L14-V39 HydrophobicContact CD1-CG2 4.29Å; L14-V39 HydrophobicContact CD2-CG2 4.27Å; I18-V39 HydrophobicContact CD1-CG1 4.45Å; I33-V39 HydrophobicContact CG2-CG2 4.4Å; I33-V39 WeakPolarHBondContact O-CB 3.38Å; I33-V39 WeakPolarHBondContact O-CG2 3.41Å; L36-V39 HydrophobicContact CB-CB 4.28Å; L36-V39 HydrophobicContact CB-CG2 4.02Å; L36-V39 HydrophobicContact CD1-CG2 4.39Å; L36-V39 PolarHBondContact O-N 2.94Å; P37-V39 PolarHBondContact O-N 2.92Å; V39-E41 VanDerWaalsContact C-N 3.3Å; V39-E41 PolarHBondContact O-N 3.26Å; V39-L42 VanDerWaalsContact O-CB 3.31Å; V39-L42 WeakPolarHBondContact O-CB 3.49Å; V39-L42 PolarHBondContact O-N 3.31Å; V39-L42 VanDerWaalsContact O-N 3.12Å; V39-Y51 HydrophobicContact CG1-CD2 3.91Å; V39-Y51 HydrophobicContact CG1-CE2 4.09Å; V39-Y51 WeakPolarHBondContact O-CD2 3.49Å; V39-L54 HydrophobicContact CG1-CD2 3.7Å |
| 40 | R | 85.6 | Confident | 85.5 | Confident | 138 Ų | 138 | 57.8 Ų | 57.8 | 52% | 0.521 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.3 | -34.8 | 172.9 | -73 | -165.9 | 175 | -171.7 | 1.6 | 113.2 | L34 L36 P37 L42 E43 | L34-R40 WeakPolarHBondContact O-CG 3.33Å; L36-R40 PolarHBondContact O-N 3.37Å; P37-R40 PolarHBondContact O-N 2.96Å; P37-R40 VanDerWaalsContact O-N 3.15Å; R40-L42 PolarHBondContact O-N 2.93Å; R40-E43 WeakPolarHBondContact O-CB 3.45Å; R40-E43 PolarHBondContact O-N 2.96Å; R40-E43 VanDerWaalsContact O-N 3.07Å |
| 41 | E | 85.4 | Confident | 85.5 | Confident | 135 Ų | 135 | 58.9 Ų | 58.9 | 63% | 0.631 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.6 | -27.8 | 174.9 | -73.2 | 178.2 | -173.4 | 0 | 0 | 112.7 | P37 V39 E43 | P37-E41 WeakPolarHBondContact O-CG 3.44Å; P37-E41 PolarHBondContact O-N 3.4Å; V39-E41 VanDerWaalsContact C-N 3.3Å; V39-E41 PolarHBondContact O-N 3.26Å; E41-E43 PolarHBondContact O-N 2.92Å |
| 42 | L | 83.5 | Confident | 85.7 | Confident | 12 Ų | 12 | 62.5 Ų | 62.5 | 6% | 0.063 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -67.9 | -20.6 | 177.1 | -59.5 | -179.5 | 0 | 0 | 0 | 113.1 | L14 I18 V39 R40 T44 G45 H47 A48 | L14-L42 HydrophobicContact CD2-CD1 3.63Å; L14-L42 HydrophobicContact CD2-CD2 4.22Å; L14-L42 HydrophobicContact CD2-CG 3.94Å; L14-L42 HydrophobicContact CG-CD1 3.89Å; I18-L42 HydrophobicContact CD1-CD1 3.62Å; V39-L42 VanDerWaalsContact O-CB 3.31Å; V39-L42 WeakPolarHBondContact O-CB 3.49Å; V39-L42 PolarHBondContact O-N 3.31Å; V39-L42 VanDerWaalsContact O-N 3.12Å; R40-L42 PolarHBondContact O-N 2.93Å; L42-T44 VanDerWaalsContact C-N 3.26Å; L42-T44 PolarHBondContact O-N 3.3Å; L42-G45 PolarHBondContact O-N 3.17Å; L42-H47 HydrophobicContact CD2-CB 4.16Å; L42-A48 WeakPolarHBondContact O-CA 3.5Å; L42-A48 PolarHBondContact O-N 2.9Å |
| 43 | E | 84.4 | Confident | 85.9 | Confident | 109 Ų | 109 | 57.4 Ų | 57.4 | 51% | 0.509 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -58.9 | -37.5 | -178.7 | -174.8 | 176.7 | -157.7 | 0 | 0 | 112.4 | R40 E41 A48 Y51 | R40-E43 WeakPolarHBondContact O-CB 3.45Å; R40-E43 PolarHBondContact O-N 2.96Å; R40-E43 VanDerWaalsContact O-N 3.07Å; E41-E43 PolarHBondContact O-N 2.92Å; E43-A48 WeakPolarHBondContact O-CB 3.38Å; E43-Y51 HydrophobicContact CB-CD1 3.73Å; E43-Y51 HydrophobicContact CB-CD2 4.45Å; E43-Y51 HydrophobicContact CB-CE1 3.79Å; E43-Y51 HydrophobicContact CB-CG 4.08Å; E43-Y51 HydrophobicContact CG-CD1 3.78Å; E43-Y51 HydrophobicContact CG-CE1 3.66Å |
| 44 | T | 82.6 | Confident | 86.1 | Confident | 131 Ų | 131 | 57.2 Ų | 57.2 | 80% | 0.804 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -100.6 | -0.3 | -177.6 | 59.5 | 0 | 0 | 0 | 0 | 113.4 | L42 | L42-T44 VanDerWaalsContact C-N 3.26Å; L42-T44 PolarHBondContact O-N 3.3Å |
| 45 | G | 81.6 | Confident | 86.3 | Confident | 27 Ų | 27 | 59.6 Ų | 59.6 | 28% | 0.278 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -97 | -177.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L42 H47 A48 | L42-G45 PolarHBondContact O-N 3.17Å; G45-H47 PolarHBondContact O-N 2.9Å; G45-H47 VanDerWaalsContact O-N 3.13Å; G45-A48 WeakPolarHBondContact O-CB 3.35Å; G45-A48 PolarHBondContact O-N 3.39Å; G45-A48 VanDerWaalsContact O-N 3.11Å |
| 46 | P | 82 | Confident | 86.5 | Confident | 123 Ų | 123 | 54 Ų | 54 | 80% | 0.799 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -16.1 | 175.3 | 27.5 | -35.2 | 0 | 0 | 0 | 113.5 | ||
| 47 | H | 84.6 | Confident | 86.7 | Confident | 51 Ų | 51 | 52.9 Ų | 52.9 | 24% | 0.236 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 18.4 | 177.5 | -60.2 | -63.2 | 0 | 0 | 0 | 113.1 | L42 G45 P49 V50 Y51 | L42-H47 HydrophobicContact CD2-CB 4.16Å; G45-H47 PolarHBondContact O-N 2.9Å; G45-H47 VanDerWaalsContact O-N 3.13Å; H47-P49 VanDerWaalsContact C-N 3.26Å; H47-V50 WeakPolarHBondContact O-CB 3.33Å; H47-V50 PolarHBondContact O-N 3.43Å; H47-Y51 PolarHBondContact O-N 2.98Å |
| 48 | A | 86.1 | Confident | 86.9 | Confident | 18 Ų | 18 | 49.3 Ų | 49.3 | 15% | 0.149 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -49.1 | -37.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L42 E43 G45 V50 Y51 Q52 | L42-A48 WeakPolarHBondContact O-CA 3.5Å; L42-A48 PolarHBondContact O-N 2.9Å; E43-A48 WeakPolarHBondContact O-CB 3.38Å; G45-A48 WeakPolarHBondContact O-CB 3.35Å; G45-A48 PolarHBondContact O-N 3.39Å; G45-A48 VanDerWaalsContact O-N 3.11Å; A48-V50 PolarHBondContact O-N 3.28Å; A48-Y51 PolarHBondContact O-N 3.49Å; A48-Q52 WeakPolarHBondContact O-CG 3.44Å; A48-Q52 PolarHBondContact O-N 3.48Å |
| 49 | P | 88.8 | Confident | 87.1 | Confident | 47 Ų | 47 | 50.8 Ų | 50.8 | 31% | 0.305 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.8 | -31.6 | 174.7 | -27.9 | 37.4 | 0 | 0 | 0 | 114.4 | H47 L53 P73 | H47-P49 VanDerWaalsContact C-N 3.26Å; P49-L53 WeakPolarHBondContact O-CB 3.35Å; P49-L53 PolarHBondContact O-N 2.84Å; P49-P73 HydrophobicContact CB-CG 4.18Å |
| 50 | V | 87.9 | Confident | 87.2 | Confident | 19 Ų | 19 | 51.1 Ų | 51.1 | 12% | 0.115 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -74 | -39 | 178.1 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | A15 I18 H47 A48 L53 L54 P73 | A15-V50 HydrophobicContact CB-CG1 4.32Å; A15-V50 HydrophobicContact CB-CG2 4.21Å; I18-V50 HydrophobicContact CB-CG1 4.07Å; I18-V50 HydrophobicContact CD1-CG1 4.09Å; I18-V50 HydrophobicContact CG2-CG1 3.83Å; H47-V50 WeakPolarHBondContact O-CB 3.33Å; H47-V50 PolarHBondContact O-N 3.43Å; A48-V50 PolarHBondContact O-N 3.28Å; V50-L53 WeakPolarHBondContact O-CB 3.32Å; V50-L53 PolarHBondContact O-N 3.25Å; V50-L54 PolarHBondContact O-N 3.34Å; V50-P73 HydrophobicContact CG2-CG 4.22Å |
| 51 | Y | 88.9 | Confident | 87.5 | Confident | 22 Ų | 22 | 46.3 Ų | 46.3 | 9% | 0.086 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63 | -46.3 | 172.7 | 180 | -95.9 | 0 | 0 | 0 | 111.5 | L34 V39 E43 H47 A48 L53 L54 N55 | L34-Y51 HydrophobicContact CD1-CD2 4.18Å; L34-Y51 HydrophobicContact CD1-CE2 3.55Å; L34-Y51 HydrophobicContact CG-CE2 4.15Å; V39-Y51 HydrophobicContact CG1-CD2 3.91Å; V39-Y51 HydrophobicContact CG1-CE2 4.09Å; V39-Y51 WeakPolarHBondContact O-CD2 3.49Å; E43-Y51 HydrophobicContact CB-CD1 3.73Å; E43-Y51 HydrophobicContact CB-CD2 4.45Å; E43-Y51 HydrophobicContact CB-CE1 3.79Å; E43-Y51 HydrophobicContact CB-CG 4.08Å; E43-Y51 HydrophobicContact CG-CD1 3.78Å; E43-Y51 HydrophobicContact CG-CE1 3.66Å; H47-Y51 PolarHBondContact O-N 2.98Å; A48-Y51 PolarHBondContact O-N 3.49Å; Y51-L53 VanDerWaalsContact C-N 3.25Å; Y51-L53 PolarHBondContact O-N 2.91Å; Y51-L54 PolarHBondContact O-N 3.01Å; Y51-L54 VanDerWaalsContact O-N 3.15Å; Y51-N55 WeakPolarHBondContact O-CB 3.18Å; Y51-N55 PolarHBondContact O-N 3.49Å |
| 52 | Q | 89.1 | Confident | 87.8 | Confident | 90 Ų | 90 | 40.3 Ų | 40.3 | 42% | 0.421 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.5 | -37.2 | 175.9 | -70.4 | 175.6 | 11.1 | 0 | 0 | 111.8 | A48 N55 L56 L72 | A48-Q52 WeakPolarHBondContact O-CG 3.44Å; A48-Q52 PolarHBondContact O-N 3.48Å; Q52-N55 PolarHBondContact O-N 3.47Å; Q52-L56 WeakPolarHBondContact O-CB 3.37Å; Q52-L56 PolarHBondContact O-N 3.43Å; Q52-L72 HydrophobicContact CB-CD2 3.77Å |
| 53 | L | 90.7 | Very high | 88.1 | Confident | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.7 | -45.4 | 174.5 | -172 | 66.3 | 0 | 0 | 0 | 111.5 | L22 P49 V50 Y51 N55 L56 F57 Y65 L72 P73 L75 | L22-L53 HydrophobicContact CD1-CD2 3.85Å; L22-L53 HydrophobicContact CD1-CG 4.13Å; P49-L53 WeakPolarHBondContact O-CB 3.35Å; P49-L53 PolarHBondContact O-N 2.84Å; V50-L53 WeakPolarHBondContact O-CB 3.32Å; V50-L53 PolarHBondContact O-N 3.25Å; Y51-L53 VanDerWaalsContact C-N 3.25Å; Y51-L53 PolarHBondContact O-N 2.91Å; L53-N55 VanDerWaalsContact C-N 3.33Å; L53-N55 PolarHBondContact O-N 2.71Å; L53-L56 WeakPolarHBondContact O-CA 3.5Å; L53-L56 WeakPolarHBondContact O-CB 3.39Å; L53-L56 PolarHBondContact O-N 3.46Å; L53-L56 VanDerWaalsContact O-N 3.11Å; L53-F57 HydrophobicContact CD1-CD2 4.36Å; L53-F57 HydrophobicContact CD1-CE2 4.02Å; L53-F57 HydrophobicContact CG-CD2 4.28Å; L53-F57 HydrophobicContact CG-CE2 4.13Å; L53-F57 WeakPolarHBondContact O-CD2 3.31Å; L53-F57 PolarHBondContact O-N 3.1Å; L53-Y65 HydrophobicContact CD1-CD2 4.13Å; L53-Y65 HydrophobicContact CD1-CE2 4.17Å; L53-L72 HydrophobicContact CB-CD2 4.34Å; L53-L72 HydrophobicContact CD1-CD1 4.32Å; L53-P73 HydrophobicContact CD2-CB 4.46Å; L53-P73 HydrophobicContact CD2-CG 4.37Å; L53-L75 HydrophobicContact CD1-CD2 3.98Å; L53-L75 HydrophobicContact CD2-CD2 3.87Å; L53-L75 HydrophobicContact CG-CD2 4.4Å |
| 54 | L | 90.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.9 | -43.1 | 175.8 | -178.2 | 63.2 | 0 | 0 | 0 | 111.7 | I18 L22 F30 I33 L34 V39 V50 Y51 L56 F57 A58 | I18-L54 HydrophobicContact CG2-CB 4.33Å; I18-L54 HydrophobicContact CG2-CD1 4.44Å; L22-L54 HydrophobicContact CD2-CD1 3.91Å; F30-L54 HydrophobicContact CB-CD1 4Å; F30-L54 HydrophobicContact CD1-CD1 3.8Å; F30-L54 HydrophobicContact CG-CD1 4.11Å; I33-L54 HydrophobicContact CG2-CD2 3.99Å; L34-L54 HydrophobicContact CD1-CB 4.4Å; L34-L54 HydrophobicContact CD1-CD2 3.92Å; L34-L54 HydrophobicContact CD1-CG 3.96Å; V39-L54 HydrophobicContact CG1-CD2 3.7Å; V50-L54 PolarHBondContact O-N 3.34Å; Y51-L54 PolarHBondContact O-N 3.01Å; Y51-L54 VanDerWaalsContact O-N 3.15Å; L54-L56 PolarHBondContact O-N 2.98Å; L54-F57 PolarHBondContact O-N 2.7Å; L54-F57 VanDerWaalsContact O-N 3.08Å; L54-A58 PolarHBondContact O-N 3.41Å |
| 55 | N | 89.9 | Confident | 88.8 | Confident | 64 Ų | 64 | 32.9 Ų | 32.9 | 34% | 0.342 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.5 | -35.2 | 174.9 | -169.8 | 52.1 | 0 | 0 | 0 | 112 | L34 Y51 Q52 L53 A58 Y59 | L34-N55 HydrophobicContact CD1-CB 4.3Å; Y51-N55 WeakPolarHBondContact O-CB 3.18Å; Y51-N55 PolarHBondContact O-N 3.49Å; Q52-N55 PolarHBondContact O-N 3.47Å; L53-N55 VanDerWaalsContact C-N 3.33Å; L53-N55 PolarHBondContact O-N 2.71Å; N55-A58 PolarHBondContact O-N 2.83Å; N55-Y59 PolarHBondContact O-N 3.08Å; N55-Y59 WeakPolarHBondContact OD1-CD2 3.42Å; N55-Y59 WeakPolarHBondContact OD1-CE2 3.43Å |
| 56 | L | 91.2 | Very high | 89.1 | Confident | 7 Ų | 7 | 36 Ų | 36 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.3 | -40.8 | 173.3 | -161.8 | 88 | 0 | 0 | 0 | 112.3 | Q52 L53 L54 A58 G60 D64 Y65 L72 L83 | Q52-L56 WeakPolarHBondContact O-CB 3.37Å; Q52-L56 PolarHBondContact O-N 3.43Å; L53-L56 WeakPolarHBondContact O-CA 3.5Å; L53-L56 WeakPolarHBondContact O-CB 3.39Å; L53-L56 PolarHBondContact O-N 3.46Å; L53-L56 VanDerWaalsContact O-N 3.11Å; L54-L56 PolarHBondContact O-N 2.98Å; L56-A58 VanDerWaalsContact C-N 3.32Å; L56-G60 CarbonylContact O-C 3.39Å; L56-G60 WeakPolarHBondContact O-CA 3.5Å; L56-G60 PolarHBondContact O-N 3.34Å; L56-D64 HydrophobicContact CD1-CB 3.55Å; L56-Y65 HydrophobicContact CD2-CD2 4.14Å; L56-Y65 HydrophobicContact CD2-CG 4.31Å; L56-L72 HydrophobicContact CD2-CD1 4.32Å; L56-L83 HydrophobicContact CD2-CD1 4.43Å; L56-L83 HydrophobicContact CD2-CD2 3.81Å |
| 57 | F | 91.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.2 | -33.4 | 176.6 | -88.1 | -106.8 | 0 | 0 | 0 | 112.3 | L22 F30 L53 L54 L75 Q79 K82 L83 L86 | L22-F57 HydrophobicContact CD1-CD2 4.28Å; L22-F57 HydrophobicContact CD1-CE2 4.22Å; L22-F57 HydrophobicContact CD2-CB 3.92Å; L22-F57 HydrophobicContact CD2-CD1 3.8Å; L22-F57 HydrophobicContact CD2-CD2 4.01Å; L22-F57 HydrophobicContact CD2-CE1 4.3Å; L22-F57 HydrophobicContact CD2-CE2 4.48Å; L22-F57 HydrophobicContact CD2-CG 3.63Å; F30-F57 HydrophobicContact CD2-CB 3.98Å; F30-F57 HydrophobicContact CE2-CB 4Å; F30-F57 HydrophobicContact CE2-CD1 4.16Å; F30-F57 HydrophobicContact CZ-CD1 4.27Å; L53-F57 HydrophobicContact CD1-CD2 4.36Å; L53-F57 HydrophobicContact CD1-CE2 4.02Å; L53-F57 HydrophobicContact CG-CD2 4.28Å; L53-F57 HydrophobicContact CG-CE2 4.13Å; L53-F57 WeakPolarHBondContact O-CD2 3.31Å; L53-F57 PolarHBondContact O-N 3.1Å; L54-F57 PolarHBondContact O-N 2.7Å; L54-F57 VanDerWaalsContact O-N 3.08Å; F57-L75 HydrophobicContact CE2-CD2 3.95Å; F57-L75 HydrophobicContact CZ-CD2 4.08Å; F57-Q79 HydrophobicContact CZ-CB 4.14Å; F57-Q79 WeakPolarHBondContact CZ-O 3.49Å; F57-K82 HydrophobicContact CE1-CB 4.28Å; F57-K82 HydrophobicContact CE1-CD 4.32Å; F57-K82 HydrophobicContact CE1-CG 4.4Å; F57-L83 HydrophobicContact CD1-CD1 4.46Å; F57-L83 HydrophobicContact CD2-CD1 4.29Å; F57-L83 HydrophobicContact CE1-CB 3.99Å; F57-L83 HydrophobicContact CE2-CB 4.37Å; F57-L83 HydrophobicContact CE2-CD1 4.36Å; F57-L83 HydrophobicContact CE2-CD2 4.32Å; F57-L83 HydrophobicContact CG-CD1 4.35Å; F57-L83 HydrophobicContact CZ-CB 3.82Å; F57-L83 HydrophobicContact CZ-CD1 4.49Å; F57-L86 HydrophobicContact CB-CD1 4.37Å; F57-L86 HydrophobicContact CD1-CD1 3.61Å; F57-L86 HydrophobicContact CE1-CD1 4.33Å; F57-L86 HydrophobicContact CG-CD1 4.32Å; F57-L86 WeakPolarHBondContact O-CD1 3.39Å |
| 58 | A | 89.8 | Confident | 89.6 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.3 | -55.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F30 L54 N55 L56 D148 | F30-A58 HydrophobicContact CB-CB 4.15Å; L54-A58 PolarHBondContact O-N 3.41Å; N55-A58 PolarHBondContact O-N 2.83Å; L56-A58 VanDerWaalsContact C-N 3.32Å; A58-D148 WeakPolarHBondContact CA-OD2 3.45Å; A58-D148 HydrophobicContact CB-CB 4.15Å; A58-D148 WeakPolarHBondContact O-CB 3.39Å |
| 59 | Y | 89.3 | Confident | 89.4 | Confident | 67 Ų | 67 | 41.9 Ų | 41.9 | 26% | 0.263 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -117.2 | -21.4 | -166.6 | -50.6 | -61.2 | 0 | 0 | 0 | 115.2 | S31 L34 N55 R147 D148 L149 | S31-Y59 PolarHBondContact OG-OH 2.75Å; L34-Y59 HydrophobicContact CD2-CE2 3.71Å; N55-Y59 PolarHBondContact O-N 3.08Å; N55-Y59 WeakPolarHBondContact OD1-CD2 3.42Å; N55-Y59 WeakPolarHBondContact OD1-CE2 3.43Å; Y59-R147 PolarHBondContact O-NH1 2.98Å; Y59-R147 PolarHBondContact O-NH2 3.27Å; Y59-D148 HydrophobicContact CD1-CB 4.29Å; Y59-D148 HydrophobicContact CE1-CB 4Å; Y59-L149 WeakPolarHBondContact CE1-O 3.32Å |
| 60 | G | 88.9 | Confident | 89.1 | Confident | 9 Ų | 9 | 45 Ų | 45 | 9% | 0.093 | 24% | 0.241 | C | C | . | . | trans | -91.2 | -179.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L56 R147 | L56-G60 CarbonylContact O-C 3.39Å; L56-G60 WeakPolarHBondContact O-CA 3.5Å; L56-G60 PolarHBondContact O-N 3.34Å; G60-R147 PolarHBondContact O-NH1 2.96Å | ||
| 61 | T | 90.9 | Very high | 88.9 | Confident | 36 Ų | 36 | 47 Ų | 47 | 22% | 0.221 | 26% | 0.256 | C | S | . | . | trans | -121 | 175.2 | 180 | 66.5 | 0 | 0 | 0 | 0 | 112 | C63 D64 Y65 | T61-C63 VanDerWaalsContact C-N 3.32Å; T61-C63 PolarHBondContact O-N 2.91Å; T61-D64 WeakPolarHBondContact CB-OD2 3.43Å; T61-D64 PolarHBondContact N-OD2 3.05Å; T61-D64 WeakPolarHBondContact O-CB 3.42Å; T61-D64 PolarHBondContact O-N 3.22Å; T61-D64 PolarHBondContact OG1-N 3.42Å; T61-D64 PolarHBondContact OG1-OD2 2.9Å; T61-Y65 PolarHBondContact O-N 2.9Å | ||
| 62 | Y | 91.1 | Very high | 88.8 | Confident | 9 Ų | 9 | 46.6 Ų | 46.6 | 4% | 0.035 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.6 | -35.5 | 174.9 | -173.1 | -106.3 | 0 | 0 | 0 | 112.6 | D64 Y65 K66 R80 L83 R84 S87 L107 E108 | Y62-D64 VanDerWaalsContact C-N 3.31Å; Y62-D64 PolarHBondContact O-N 3.17Å; Y62-Y65 HydrophobicContact CE2-CD1 4.17Å; Y62-Y65 WeakPolarHBondContact O-CB 3.44Å; Y62-Y65 PolarHBondContact O-N 3.19Å; Y62-K66 HydrophobicContact CD1-CG 4.46Å; Y62-K66 HydrophobicContact CE1-CD 4.48Å; Y62-K66 HydrophobicContact CE1-CG 4.03Å; Y62-K66 PolarHBondContact O-N 3.42Å; Y62-K66 VanDerWaalsContact O-N 3.15Å; Y62-R80 HydrophobicContact CE2-CG 3.67Å; Y62-L83 HydrophobicContact CD2-CD2 4.01Å; Y62-L83 HydrophobicContact CD2-CG 4.27Å; Y62-R84 HydrophobicContact CD2-CG 4.07Å; Y62-R84 HydrophobicContact CG-CG 4.08Å; Y62-S87 WeakPolarHBondContact CB-OG 3.44Å; Y62-S87 PolarHBondContact N-OG 2.93Å; Y62-L107 VanDerWaalsContact CE1-O 3.31Å; Y62-L107 WeakPolarHBondContact CE1-O 3.42Å; Y62-E108 HydrophobicContact CE1-CB 3.91Å |
| 63 | C | 90.1 | Very high | 88.6 | Confident | 37 Ų | 37 | 44.4 Ų | 44.4 | 25% | 0.25 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.7 | -42.1 | 172.8 | -72.1 | 0 | 0 | 0 | 0 | 111.6 | T61 Y65 K66 E67 Q106 | T61-C63 VanDerWaalsContact C-N 3.32Å; T61-C63 PolarHBondContact O-N 2.91Å; C63-Y65 VanDerWaalsContact C-N 3.29Å; C63-Y65 PolarHBondContact O-N 3.11Å; C63-K66 WeakPolarHBondContact O-CB 3.18Å; C63-K66 PolarHBondContact O-N 3.03Å; C63-K66 VanDerWaalsContact O-N 3.08Å; C63-E67 PolarHBondContact O-N 2.88Å; C63-Q106 PolarHBondContact SG-O 2.92Å; C63-Q106 PolarHBondContact SG-OE1 3.34Å |
| 64 | D | 90.7 | Very high | 88.4 | Confident | 43 Ų | 43 | 53 Ų | 53 | 23% | 0.23 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.6 | -34.9 | 177.1 | -69.5 | -67.4 | 0 | 0 | 0 | 113.2 | L56 T61 Y62 R68 | L56-D64 HydrophobicContact CD1-CB 3.55Å; T61-D64 WeakPolarHBondContact CB-OD2 3.43Å; T61-D64 PolarHBondContact N-OD2 3.05Å; T61-D64 WeakPolarHBondContact O-CB 3.42Å; T61-D64 PolarHBondContact O-N 3.22Å; T61-D64 PolarHBondContact OG1-N 3.42Å; T61-D64 PolarHBondContact OG1-OD2 2.9Å; Y62-D64 VanDerWaalsContact C-N 3.31Å; Y62-D64 PolarHBondContact O-N 3.17Å; D64-R68 PolarHBondContact O-N 3.36Å; D64-R68 PolarHBondContact O-NE 3.45Å; D64-R68 IonicContact OD1-NH2 3.06Å; D64-R68 PolarHBondContact OD1-NH2 2.92Å |
| 65 | Y | 91.4 | Very high | 88.3 | Confident | 16 Ų | 16 | 53.4 Ų | 53.4 | 6% | 0.063 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 172.6 | 175 | -107 | 0 | 0 | 0 | 110.7 | L53 L56 T61 Y62 C63 E67 R68 A69 L72 P73 L75 L83 | L53-Y65 HydrophobicContact CD1-CD2 4.13Å; L53-Y65 HydrophobicContact CD1-CE2 4.17Å; L56-Y65 HydrophobicContact CD2-CD2 4.14Å; L56-Y65 HydrophobicContact CD2-CG 4.31Å; T61-Y65 PolarHBondContact O-N 2.9Å; Y62-Y65 HydrophobicContact CE2-CD1 4.17Å; Y62-Y65 WeakPolarHBondContact O-CB 3.44Å; Y62-Y65 PolarHBondContact O-N 3.19Å; C63-Y65 VanDerWaalsContact C-N 3.29Å; C63-Y65 PolarHBondContact O-N 3.11Å; Y65-E67 PolarHBondContact O-N 3.39Å; Y65-R68 CarbonylContact O-C 3.27Å; Y65-R68 VanDerWaalsContact O-C 3.27Å; Y65-R68 PolarHBondContact O-N 3.08Å; Y65-R68 VanDerWaalsContact O-N 3.13Å; Y65-A69 WeakPolarHBondContact O-CA 3.39Å; Y65-A69 PolarHBondContact O-N 3.39Å; Y65-L72 HydrophobicContact CD2-CB 4.37Å; Y65-L72 HydrophobicContact CD2-CD1 3.68Å; Y65-L72 HydrophobicContact CE2-CB 4.02Å; Y65-L72 HydrophobicContact CE2-CD1 4.18Å; Y65-P73 PolarHBondContact OH-O 2.94Å; Y65-P73 VanDerWaalsContact OH-O 3.13Å; Y65-L75 HydrophobicContact CD1-CD1 3.86Å; Y65-L75 HydrophobicContact CD2-CD1 3.68Å; Y65-L75 HydrophobicContact CD2-CG 4.22Å; Y65-L75 HydrophobicContact CE1-CD1 3.67Å; Y65-L75 HydrophobicContact CE1-CG 4.15Å; Y65-L75 HydrophobicContact CE2-CD1 3.5Å; Y65-L75 HydrophobicContact CE2-CG 3.56Å; Y65-L75 HydrophobicContact CG-CD1 3.86Å; Y65-L75 VanDerWaalsContact CZ-CD1 3.49Å; Y65-L75 PolarHBondContact OH-N 2.78Å; Y65-L83 HydrophobicContact CG-CD2 4.15Å |
| 66 | K | 87.9 | Confident | 88.3 | Confident | 92 Ų | 92 | 52.6 Ų | 52.6 | 40% | 0.4 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | -178.1 | -79.1 | -78.5 | -62.5 | -158.7 | 0 | 112.3 | Y62 C63 R68 A69 E108 | Y62-K66 HydrophobicContact CD1-CG 4.46Å; Y62-K66 HydrophobicContact CE1-CD 4.48Å; Y62-K66 HydrophobicContact CE1-CG 4.03Å; Y62-K66 PolarHBondContact O-N 3.42Å; Y62-K66 VanDerWaalsContact O-N 3.15Å; C63-K66 WeakPolarHBondContact O-CB 3.18Å; C63-K66 PolarHBondContact O-N 3.03Å; C63-K66 VanDerWaalsContact O-N 3.08Å; K66-R68 PolarHBondContact O-N 2.84Å; K66-A69 WeakPolarHBondContact O-CB 3.28Å; K66-A69 PolarHBondContact O-N 2.88Å; K66-E108 WeakPolarHBondContact CD-OE2 3.32Å; K66-E108 WeakPolarHBondContact CE-OE2 3.45Å; K66-E108 IonicContact NZ-OE1 2.71Å; K66-E108 PolarHBondContact NZ-OE1 3.34Å; K66-E108 IonicContact NZ-OE2 2.65Å; K66-E108 PolarHBondContact NZ-OE2 3.31Å |
| 67 | E | 89.1 | Confident | 88.2 | Confident | 159 Ų | 159 | 57.1 Ų | 57.1 | 74% | 0.743 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64.4 | -31.8 | 176.5 | -68.7 | -179.3 | -178.1 | 0 | 0 | 112.3 | C63 Y65 | C63-E67 PolarHBondContact O-N 2.88Å; Y65-E67 PolarHBondContact O-N 3.39Å |
| 68 | R | 88.2 | Confident | 88.1 | Confident | 111 Ų | 111 | 59.5 Ų | 59.5 | 42% | 0.419 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 14.1 | -178.4 | -69.3 | 178.4 | -94.7 | -146.8 | -9.8 | 113.8 | D64 Y65 K66 A70 S71 L72 | D64-R68 PolarHBondContact O-N 3.36Å; D64-R68 PolarHBondContact O-NE 3.45Å; D64-R68 IonicContact OD1-NH2 3.06Å; D64-R68 PolarHBondContact OD1-NH2 2.92Å; Y65-R68 CarbonylContact O-C 3.27Å; Y65-R68 VanDerWaalsContact O-C 3.27Å; Y65-R68 PolarHBondContact O-N 3.08Å; Y65-R68 VanDerWaalsContact O-N 3.13Å; K66-R68 PolarHBondContact O-N 2.84Å; R68-A70 PolarHBondContact O-N 3.19Å; R68-A70 VanDerWaalsContact O-N 3.1Å; R68-S71 PolarHBondContact O-N 2.8Å; R68-S71 PolarHBondContact O-OG 3.23Å; R68-L72 HydrophobicContact CB-CD1 3.69Å; R68-L72 HydrophobicContact CB-CG 4.04Å; R68-L72 WeakPolarHBondContact O-CG 3.35Å; R68-L72 PolarHBondContact O-N 3.18Å |
| 69 | A | 82.3 | Confident | 88.2 | Confident | 46 Ų | 46 | 59.9 Ų | 59.9 | 38% | 0.38 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -26.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y65 K66 | Y65-A69 WeakPolarHBondContact O-CA 3.39Å; Y65-A69 PolarHBondContact O-N 3.39Å; K66-A69 WeakPolarHBondContact O-CB 3.28Å; K66-A69 PolarHBondContact O-N 2.88Å |
| 70 | A | 83 | Confident | 88.2 | Confident | 113 Ų | 113 | 61.1 Ų | 61.1 | 93% | 0.934 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -24.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | R68 | R68-A70 PolarHBondContact O-N 3.19Å; R68-A70 VanDerWaalsContact O-N 3.1Å |
| 71 | S | 83.6 | Confident | 88.4 | Confident | 61 Ų | 61 | 62.9 Ų | 62.9 | 43% | 0.427 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -17.1 | -178.6 | 52.1 | 0 | 0 | 0 | 0 | 113.6 | R68 | R68-S71 PolarHBondContact O-N 2.8Å; R68-S71 PolarHBondContact O-OG 3.23Å |
| 72 | L | 86.4 | Confident | 88.4 | Confident | 13 Ų | 13 | 61.6 Ų | 61.6 | 7% | 0.068 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -99.6 | 153.7 | -175.9 | -66.1 | 175.4 | 0 | 0 | 0 | 111.7 | Q52 L53 L56 Y65 R68 | Q52-L72 HydrophobicContact CB-CD2 3.77Å; L53-L72 HydrophobicContact CB-CD2 4.34Å; L53-L72 HydrophobicContact CD1-CD1 4.32Å; L56-L72 HydrophobicContact CD2-CD1 4.32Å; Y65-L72 HydrophobicContact CD2-CB 4.37Å; Y65-L72 HydrophobicContact CD2-CD1 3.68Å; Y65-L72 HydrophobicContact CE2-CB 4.02Å; Y65-L72 HydrophobicContact CE2-CD1 4.18Å; R68-L72 HydrophobicContact CB-CD1 3.69Å; R68-L72 HydrophobicContact CB-CG 4.04Å; R68-L72 WeakPolarHBondContact O-CG 3.35Å; R68-L72 PolarHBondContact O-N 3.18Å |
| 73 | P | 85.1 | Confident | 88.5 | Confident | 45 Ų | 45 | 61.1 Ų | 61.1 | 29% | 0.292 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 151 | 171.5 | -21.3 | 33.2 | 0 | 0 | 0 | 112.4 | P49 V50 L53 Y65 L75 | P49-P73 HydrophobicContact CB-CG 4.18Å; V50-P73 HydrophobicContact CG2-CG 4.22Å; L53-P73 HydrophobicContact CD2-CB 4.46Å; L53-P73 HydrophobicContact CD2-CG 4.37Å; Y65-P73 PolarHBondContact OH-O 2.94Å; Y65-P73 VanDerWaalsContact OH-O 3.13Å; P73-L75 PolarHBondContact O-N 3.33Å |
| 74 | E | 86.9 | Confident | 88.6 | Confident | 184 Ų | 184 | 60.8 Ų | 60.8 | 86% | 0.86 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 129.1 | 172.9 | -69.6 | -166.5 | 163.6 | 0 | 0 | 110.7 | ||
| 75 | L | 87.6 | Confident | 88.7 | Confident | 10 Ų | 10 | 58.8 Ų | 58.8 | 5% | 0.052 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -82 | 135.6 | 178.1 | -72 | 176.4 | 0 | 0 | 0 | 111.6 | L53 F57 Y65 P73 Q79 R80 L83 | L53-L75 HydrophobicContact CD1-CD2 3.98Å; L53-L75 HydrophobicContact CD2-CD2 3.87Å; L53-L75 HydrophobicContact CG-CD2 4.4Å; F57-L75 HydrophobicContact CE2-CD2 3.95Å; F57-L75 HydrophobicContact CZ-CD2 4.08Å; Y65-L75 HydrophobicContact CD1-CD1 3.86Å; Y65-L75 HydrophobicContact CD2-CD1 3.68Å; Y65-L75 HydrophobicContact CD2-CG 4.22Å; Y65-L75 HydrophobicContact CE1-CD1 3.67Å; Y65-L75 HydrophobicContact CE1-CG 4.15Å; Y65-L75 HydrophobicContact CE2-CD1 3.5Å; Y65-L75 HydrophobicContact CE2-CG 3.56Å; Y65-L75 HydrophobicContact CG-CD1 3.86Å; Y65-L75 VanDerWaalsContact CZ-CD1 3.49Å; Y65-L75 PolarHBondContact OH-N 2.78Å; P73-L75 PolarHBondContact O-N 3.33Å; L75-Q79 HydrophobicContact CB-CB 4.48Å; L75-Q79 HydrophobicContact CD2-CB 3.82Å; L75-R80 HydrophobicContact CB-CB 4.44Å; L75-L83 HydrophobicContact CD1-CD2 4.02Å |
| 76 | T | 89.8 | Confident | 88.7 | Confident | 46 Ų | 46 | 58 Ų | 58 | 28% | 0.282 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 158.8 | 166.5 | 73.1 | 0 | 0 | 0 | 0 | 110.4 | E23 A78 Q79 R80 | E23-T76 VanDerWaalsContact OE1-CB 3.24Å; E23-T76 WeakPolarHBondContact OE1-CB 3.48Å; E23-T76 WeakPolarHBondContact OE1-CG2 3.47Å; E23-T76 PolarHBondContact OE1-OG1 3.5Å; T76-A78 PolarHBondContact O-N 3.31Å; T76-Q79 PolarHBondContact O-N 2.84Å; T76-Q79 VanDerWaalsContact OG1-CG 3.28Å; T76-Q79 WeakPolarHBondContact OG1-CG 3.44Å; T76-Q79 PolarHBondContact OG1-N 2.9Å; T76-R80 WeakPolarHBondContact O-CB 3.24Å; T76-R80 PolarHBondContact O-N 2.82Å |
| 77 | P | 89.3 | Confident | 88.9 | Confident | 102 Ų | 102 | 53.8 Ų | 53.8 | 66% | 0.662 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -55.5 | -38.3 | 177.2 | -26.4 | 35.3 | 0 | 0 | 0 | 113.3 | R80 N81 | P77-R80 PolarHBondContact O-N 2.93Å; P77-N81 PolarHBondContact O-N 3.34Å |
| 78 | A | 89.3 | Confident | 89 | Confident | 50 Ų | 50 | 46.3 Ų | 46.3 | 41% | 0.413 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.6 | -48 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | E23 T76 R80 N81 K82 | E23-A78 HydrophobicContact CG-CB 3.74Å; T76-A78 PolarHBondContact O-N 3.31Å; A78-R80 VanDerWaalsContact C-N 3.27Å; A78-R80 PolarHBondContact O-N 3.47Å; A78-N81 PolarHBondContact O-N 3.41Å; A78-K82 PolarHBondContact O-N 3.09Å |
| 79 | Q | 90.3 | Very high | 89.2 | Confident | 8 Ų | 8 | 41 Ų | 41 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.9 | -36.2 | 176.5 | -64.7 | 169.5 | -22.2 | 0 | 0 | 111.7 | S19 L22 E23 F57 L75 T76 K82 L83 | S19-Q79 PolarHBondContact O-NE2 2.97Å; L22-Q79 HydrophobicContact CB-CG 4.1Å; E23-Q79 HydrophobicContact CB-CG 4.29Å; E23-Q79 HydrophobicContact CG-CG 4.1Å; F57-Q79 HydrophobicContact CZ-CB 4.14Å; F57-Q79 WeakPolarHBondContact CZ-O 3.49Å; L75-Q79 HydrophobicContact CB-CB 4.48Å; L75-Q79 HydrophobicContact CD2-CB 3.82Å; T76-Q79 PolarHBondContact O-N 2.84Å; T76-Q79 VanDerWaalsContact OG1-CG 3.28Å; T76-Q79 WeakPolarHBondContact OG1-CG 3.44Å; T76-Q79 PolarHBondContact OG1-N 2.9Å; Q79-K82 WeakPolarHBondContact O-CB 3.46Å; Q79-K82 PolarHBondContact O-N 3.3Å; Q79-L83 PolarHBondContact O-N 3.22Å |
| 80 | R | 91.3 | Very high | 89.5 | Confident | 94 Ų | 94 | 39.7 Ų | 39.7 | 36% | 0.355 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.8 | -46.8 | 175.5 | -172.7 | 178.3 | -59.7 | 169 | 6.4 | 112.2 | 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 3.24Å; T76-R80 PolarHBondContact O-N 2.82Å; P77-R80 PolarHBondContact O-N 2.93Å; A78-R80 VanDerWaalsContact C-N 3.27Å; A78-R80 PolarHBondContact O-N 3.47Å; R80-K82 VanDerWaalsContact C-N 3.29Å; R80-K82 PolarHBondContact O-N 3.11Å; R80-L83 PolarHBondContact O-N 3.45Å; R80-R84 WeakPolarHBondContact O-CG 3.15Å; R80-R84 PolarHBondContact O-N 3.37Å |
| 81 | N | 91.3 | Very high | 89.9 | Confident | 45 Ų | 45 | 35.9 Ų | 35.9 | 24% | 0.241 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.2 | -40.3 | 176.5 | -74.4 | 0.7 | 0 | 0 | 0 | 111 | P77 A78 L83 R84 H85 L118 | P77-N81 PolarHBondContact O-N 3.34Å; A78-N81 PolarHBondContact O-N 3.41Å; N81-L83 PolarHBondContact O-N 3.27Å; N81-R84 CarbonylContact O-C 3.58Å; N81-R84 WeakPolarHBondContact O-CA 3.36Å; N81-R84 WeakPolarHBondContact O-CB 3.29Å; N81-R84 PolarHBondContact O-N 2.75Å; N81-R84 VanDerWaalsContact O-N 3.15Å; N81-H85 PolarHBondContact O-CD2 3.42Å; N81-H85 VanDerWaalsContact O-CG 3.32Å; N81-H85 PolarHBondContact O-N 2.93Å; N81-L118 HydrophobicContact CB-CD2 3.96Å |
| 82 | K | 91.9 | Very high | 90.3 | Very high | 9 Ų | 9 | 33.5 Ų | 33.5 | 4% | 0.039 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.1 | -43.4 | 175.6 | -164.8 | -179.8 | -173.5 | 172.7 | 0 | 113.1 | L21 L22 T24 L27 Y28 F57 A78 Q79 R80 R84 H85 L86 | L21-K82 PolarHBondContact O-NZ 3.47Å; L22-K82 WeakPolarHBondContact O-CD 3.3Å; L22-K82 WeakPolarHBondContact O-CE 3.47Å; L22-K82 PolarHBondContact O-NZ 2.93Å; T24-K82 PolarHBondContact O-NZ 2.85Å; L27-K82 WeakPolarHBondContact O-CE 3.41Å; L27-K82 PolarHBondContact O-NZ 3.5Å; Y28-K82 HydrophobicContact CD1-CG 4.18Å; Y28-K82 HydrophobicContact CE1-CD 4.44Å; Y28-K82 HydrophobicContact CE1-CG 3.56Å; F57-K82 HydrophobicContact CE1-CB 4.28Å; F57-K82 HydrophobicContact CE1-CD 4.32Å; F57-K82 HydrophobicContact CE1-CG 4.4Å; A78-K82 PolarHBondContact O-N 3.09Å; Q79-K82 WeakPolarHBondContact O-CB 3.46Å; Q79-K82 PolarHBondContact O-N 3.3Å; R80-K82 VanDerWaalsContact C-N 3.29Å; R80-K82 PolarHBondContact O-N 3.11Å; K82-R84 VanDerWaalsContact C-N 3.28Å; K82-R84 PolarHBondContact O-N 3.03Å; K82-H85 WeakPolarHBondContact O-CB 3.37Å; K82-H85 PolarHBondContact O-N 3.31Å; K82-L86 WeakPolarHBondContact O-CG 3.38Å; K82-L86 PolarHBondContact O-N 2.85Å |
| 83 | L | 92.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.6 | -34.5 | 175 | -173.1 | 59.7 | 0 | 0 | 0 | 112 | L56 F57 Y62 Y65 L75 Q79 R80 N81 L86 S87 | L56-L83 HydrophobicContact CD2-CD1 4.43Å; L56-L83 HydrophobicContact CD2-CD2 3.81Å; F57-L83 HydrophobicContact CD1-CD1 4.46Å; F57-L83 HydrophobicContact CD2-CD1 4.29Å; F57-L83 HydrophobicContact CE1-CB 3.99Å; F57-L83 HydrophobicContact CE2-CB 4.37Å; F57-L83 HydrophobicContact CE2-CD1 4.36Å; F57-L83 HydrophobicContact CE2-CD2 4.32Å; F57-L83 HydrophobicContact CG-CD1 4.35Å; F57-L83 HydrophobicContact CZ-CB 3.82Å; F57-L83 HydrophobicContact CZ-CD1 4.49Å; Y62-L83 HydrophobicContact CD2-CD2 4.01Å; Y62-L83 HydrophobicContact CD2-CG 4.27Å; Y65-L83 HydrophobicContact CG-CD2 4.15Å; L75-L83 HydrophobicContact CD1-CD2 4.02Å; Q79-L83 PolarHBondContact O-N 3.22Å; R80-L83 PolarHBondContact O-N 3.45Å; N81-L83 PolarHBondContact O-N 3.27Å; L83-L86 PolarHBondContact O-N 3.22Å; L83-S87 WeakPolarHBondContact O-CB 3.41Å; L83-S87 PolarHBondContact O-N 2.82Å; L83-S87 PolarHBondContact O-OG 2.86Å |
| 84 | R | 93 | Very high | 90.3 | Very high | 29 Ų | 29 | 41.3 Ų | 41.3 | 11% | 0.109 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.5 | -43.9 | 171.2 | -72.4 | 169.2 | 168.2 | 172.4 | -9.6 | 111.6 | Y62 R80 N81 K82 L86 S87 I88 L107 L109 | Y62-R84 HydrophobicContact CD2-CG 4.07Å; Y62-R84 HydrophobicContact CG-CG 4.08Å; R80-R84 WeakPolarHBondContact O-CG 3.15Å; R80-R84 PolarHBondContact O-N 3.37Å; N81-R84 CarbonylContact O-C 3.58Å; N81-R84 WeakPolarHBondContact O-CA 3.36Å; N81-R84 WeakPolarHBondContact O-CB 3.29Å; N81-R84 PolarHBondContact O-N 2.75Å; N81-R84 VanDerWaalsContact O-N 3.15Å; K82-R84 VanDerWaalsContact C-N 3.28Å; K82-R84 PolarHBondContact O-N 3.03Å; R84-L86 PolarHBondContact O-N 3.32Å; R84-S87 WeakPolarHBondContact O-CB 3.5Å; R84-S87 PolarHBondContact O-N 3.44Å; R84-S87 VanDerWaalsContact O-N 3.16Å; R84-I88 WeakPolarHBondContact O-CG1 3.44Å; R84-I88 PolarHBondContact O-N 3.44Å; R84-L107 HydrophobicContact CB-CD2 3.93Å; R84-L107 HydrophobicContact CG-CB 4.3Å; R84-L107 HydrophobicContact CG-CD2 4.07Å; R84-L107 PolarHBondContact NE-O 3.14Å; R84-L107 VanDerWaalsContact NE-O 3.11Å; R84-L107 PolarHBondContact NH2-O 2.97Å; R84-L107 VanDerWaalsContact NH2-O 3.17Å; R84-L109 VanDerWaalsContact CZ-CD2 3.49Å |
| 85 | H | 92 | Very high | 90.4 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.6 | -46.8 | 173.8 | -62.2 | 164.7 | 0 | 0 | 0 | 111.6 | Y28 N81 K82 S87 I88 I89 L118 E121 I127 | Y28-H85 HydrophobicContact CE1-CB 4.13Å; N81-H85 PolarHBondContact O-CD2 3.42Å; N81-H85 VanDerWaalsContact O-CG 3.32Å; N81-H85 PolarHBondContact O-N 2.93Å; K82-H85 WeakPolarHBondContact O-CB 3.37Å; K82-H85 PolarHBondContact O-N 3.31Å; H85-S87 VanDerWaalsContact C-N 3.25Å; H85-S87 PolarHBondContact O-N 3.31Å; H85-I88 WeakPolarHBondContact O-CB 3.31Å; H85-I88 PolarHBondContact O-N 3.17Å; H85-I88 VanDerWaalsContact O-N 3.08Å; H85-I89 WeakPolarHBondContact O-CG1 3.31Å; H85-I89 PolarHBondContact O-N 2.78Å; H85-L118 PolarHBondContact NE2-O 2.76Å; H85-E121 IonicContact CE1-OE1 3.87Å; H85-I127 HydrophobicContact CB-CD1 4.09Å |
| 86 | L | 92.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.4 | -35.8 | 176.1 | -70 | 165 | 0 | 0 | 0 | 112.5 | Y28 F30 F57 K82 L83 R84 I89 S90 R147 | Y28-L86 HydrophobicContact CD1-CD2 3.75Å; Y28-L86 HydrophobicContact CD1-CG 4.02Å; Y28-L86 HydrophobicContact CG-CD2 4.45Å; F30-L86 HydrophobicContact CE2-CD1 4.12Å; F57-L86 HydrophobicContact CB-CD1 4.37Å; F57-L86 HydrophobicContact CD1-CD1 3.61Å; F57-L86 HydrophobicContact CE1-CD1 4.33Å; F57-L86 HydrophobicContact CG-CD1 4.32Å; F57-L86 WeakPolarHBondContact O-CD1 3.39Å; K82-L86 WeakPolarHBondContact O-CG 3.38Å; K82-L86 PolarHBondContact O-N 2.85Å; L83-L86 PolarHBondContact O-N 3.22Å; R84-L86 PolarHBondContact O-N 3.32Å; L86-I89 HydrophobicContact CD2-CD1 4.25Å; L86-I89 PolarHBondContact O-N 3.07Å; L86-S90 PolarHBondContact O-N 3.47Å; L86-S90 PolarHBondContact O-OG 3.41Å; L86-R147 HydrophobicContact CD2-CG 4.11Å |
| 87 | S | 92.1 | Very high | 90.7 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 3% | 0.028 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.1 | -40 | 174.9 | -56.2 | 0 | 0 | 0 | 0 | 111.5 | Y62 L83 R84 H85 S90 L91 | Y62-S87 WeakPolarHBondContact CB-OG 3.44Å; Y62-S87 PolarHBondContact N-OG 2.93Å; L83-S87 WeakPolarHBondContact O-CB 3.41Å; L83-S87 PolarHBondContact O-N 2.82Å; L83-S87 PolarHBondContact O-OG 2.86Å; R84-S87 WeakPolarHBondContact O-CB 3.5Å; R84-S87 PolarHBondContact O-N 3.44Å; R84-S87 VanDerWaalsContact O-N 3.16Å; H85-S87 VanDerWaalsContact C-N 3.25Å; H85-S87 PolarHBondContact O-N 3.31Å; S87-S90 WeakPolarHBondContact O-CB 3.19Å; S87-S90 PolarHBondContact O-N 3.1Å; S87-L91 WeakPolarHBondContact O-CG 3.18Å; S87-L91 PolarHBondContact O-N 2.97Å |
| 88 | I | 91.7 | Very high | 90.9 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.8 | -45.3 | 174.1 | -65.8 | 162.2 | 0 | 0 | 0 | 110.6 | R84 H85 S90 L91 A92 L98 L103 L107 L119 I128 | R84-I88 WeakPolarHBondContact O-CG1 3.44Å; R84-I88 PolarHBondContact O-N 3.44Å; H85-I88 WeakPolarHBondContact O-CB 3.31Å; H85-I88 PolarHBondContact O-N 3.17Å; H85-I88 VanDerWaalsContact O-N 3.08Å; I88-S90 VanDerWaalsContact C-N 3.29Å; I88-S90 PolarHBondContact O-N 3.32Å; I88-L91 PolarHBondContact O-N 2.9Å; I88-A92 WeakPolarHBondContact O-CB 2.98Å; I88-A92 PolarHBondContact O-N 2.84Å; I88-L98 HydrophobicContact CG2-CD1 4.48Å; I88-L103 HydrophobicContact CG1-CD2 4.16Å; I88-L107 HydrophobicContact CD1-CD1 3.78Å; I88-L107 HydrophobicContact CG1-CD1 3.7Å; I88-L107 HydrophobicContact CG1-CD2 4.2Å; I88-L119 HydrophobicContact CD1-CD2 4.07Å; I88-L119 HydrophobicContact CG2-CD2 4.25Å; I88-I128 HydrophobicContact CG2-CD1 4.4Å; I88-I128 HydrophobicContact CG2-CG2 4.41Å |
| 89 | I | 91.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.3 | -46.8 | 175.5 | -64 | 167.2 | 0 | 0 | 0 | 110.4 | H85 L86 L91 A92 S93 I127 I128 V145 R147 | H85-I89 WeakPolarHBondContact O-CG1 3.31Å; H85-I89 PolarHBondContact O-N 2.78Å; L86-I89 HydrophobicContact CD2-CD1 4.25Å; L86-I89 PolarHBondContact O-N 3.07Å; I89-L91 VanDerWaalsContact C-N 3.3Å; I89-L91 PolarHBondContact O-N 3.27Å; I89-A92 WeakPolarHBondContact O-CB 3.49Å; I89-A92 PolarHBondContact O-N 3.14Å; I89-A92 VanDerWaalsContact O-N 3.14Å; I89-S93 PolarHBondContact O-N 3.38Å; I89-S93 PolarHBondContact O-OG 3.23Å; I89-I127 HydrophobicContact CD1-CG2 3.25Å; I89-I127 HydrophobicContact CG1-CG2 3.52Å; I89-I128 HydrophobicContact CG1-CG2 4.49Å; I89-V145 WeakPolarHBondContact CG2-O 3.08Å; I89-R147 HydrophobicContact CG2-CB 4.17Å |
| 90 | S | 89.9 | Confident | 91.3 | Very high | 17 Ų | 17 | 39.3 Ų | 39.3 | 12% | 0.119 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.2 | -38 | -179.7 | -54 | 0 | 0 | 0 | 0 | 112.5 | L86 S87 I88 N94 R147 | L86-S90 PolarHBondContact O-N 3.47Å; L86-S90 PolarHBondContact O-OG 3.41Å; S87-S90 WeakPolarHBondContact O-CB 3.19Å; S87-S90 PolarHBondContact O-N 3.1Å; I88-S90 VanDerWaalsContact C-N 3.29Å; I88-S90 PolarHBondContact O-N 3.32Å; S90-N94 PolarHBondContact O-ND2 2.9Å; S90-R147 PolarHBondContact OG-NE 2.71Å; S90-R147 PolarHBondContact OG-NH1 3.28Å; S90-R147 PolarHBondContact OG-NH2 3.12Å |
| 91 | L | 90.9 | Very high | 91.4 | Very high | 33 Ų | 33 | 38.9 Ų | 38.9 | 17% | 0.173 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.8 | -41 | 174.2 | -68.8 | 171.7 | 0 | 0 | 0 | 111.4 | S87 I88 I89 S93 N94 L95 L98 L102 L103 Q106 | S87-L91 WeakPolarHBondContact O-CG 3.18Å; S87-L91 PolarHBondContact O-N 2.97Å; I88-L91 PolarHBondContact O-N 2.9Å; I89-L91 VanDerWaalsContact C-N 3.3Å; I89-L91 PolarHBondContact O-N 3.27Å; L91-S93 VanDerWaalsContact C-N 3.28Å; L91-S93 PolarHBondContact O-N 3.07Å; L91-N94 PolarHBondContact O-N 3.02Å; L91-N94 VanDerWaalsContact O-N 3.07Å; L91-L95 PolarHBondContact O-N 3.44Å; L91-L98 HydrophobicContact CB-CD1 4.21Å; L91-L98 HydrophobicContact CB-CD2 3.74Å; L91-L102 HydrophobicContact CD2-CD2 4.47Å; L91-L103 HydrophobicContact CD1-CD2 3.82Å; L91-Q106 HydrophobicContact CD1-CB 4.14Å; L91-Q106 HydrophobicContact CD1-CG 4.24Å |
| 92 | A | 90.8 | Very high | 91.5 | Very high | 11 Ų | 11 | 38.8 Ų | 38.8 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.9 | -31.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | I88 I89 N94 L98 V141 | I88-A92 WeakPolarHBondContact O-CB 2.98Å; I88-A92 PolarHBondContact O-N 2.84Å; I89-A92 WeakPolarHBondContact O-CB 3.49Å; I89-A92 PolarHBondContact O-N 3.14Å; I89-A92 VanDerWaalsContact O-N 3.14Å; A92-N94 PolarHBondContact O-N 3.49Å; A92-L98 HydrophobicContact CB-CD1 4.16Å; A92-V141 HydrophobicContact CB-CB 4.22Å; A92-V141 HydrophobicContact CB-CG1 3.9Å; A92-V141 HydrophobicContact CB-CG2 4.16Å |
| 93 | S | 87.1 | Confident | 91.5 | Very high | 84 Ų | 84 | 38.3 Ų | 38.3 | 59% | 0.587 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -27.4 | 172.9 | -62.9 | 0 | 0 | 0 | 0 | 113.1 | I89 L91 | I89-S93 PolarHBondContact O-N 3.38Å; I89-S93 PolarHBondContact O-OG 3.23Å; L91-S93 VanDerWaalsContact C-N 3.28Å; L91-S93 PolarHBondContact O-N 3.07Å |
| 94 | N | 85.9 | Confident | 91.5 | Very high | 138 Ų | 138 | 40.3 Ų | 40.3 | 74% | 0.738 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -34 | -177.8 | -68.6 | -72.5 | 0 | 0 | 0 | 112.8 | S90 L91 A92 | S90-N94 PolarHBondContact O-ND2 2.9Å; L91-N94 PolarHBondContact O-N 3.02Å; L91-N94 VanDerWaalsContact O-N 3.07Å; A92-N94 PolarHBondContact O-N 3.49Å |
| 95 | L | 89.3 | Confident | 91.5 | Very high | 82 Ų | 82 | 45.8 Ų | 45.8 | 43% | 0.429 | 25% | 0.254 | S | S | . | . | trans | -133.2 | 121.7 | -173.1 | -65.3 | 173.8 | 0 | 0 | 0 | 110.7 | L91 L98 L102 | L91-L95 PolarHBondContact O-N 3.44Å; L95-L98 HydrophobicContact CB-CD2 3.72Å; L95-L98 HydrophobicContact CD1-CD2 4.21Å; L95-L102 HydrophobicContact CD1-CD2 3.98Å | ||
| 96 | K | 89.4 | Confident | 91.4 | Very high | 163 Ų | 163 | 48.4 Ų | 48.4 | 71% | 0.709 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -69.2 | -34.3 | 175 | -68.3 | -164.3 | 175.2 | -170.5 | 0 | 113.4 | V141 | K96-V141 PolarHBondContact O-N 3.16Š|
| 97 | C | 92.6 | Very high | 91.3 | Very high | 60 Ų | 60 | 48.4 Ų | 48.4 | 41% | 0.405 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 110.7 | 177.3 | -57.5 | 0 | 0 | 0 | 0 | 108 | P99 V139 | C97-P99 WeakPolarHBondContact O-CD 3.5Å; C97-V139 WeakPolarHBondContact CA-O 3.5Å |
| 98 | L | 93.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 114.5 | -178.9 | -65.8 | 170.7 | 0 | 0 | 0 | 110 | I88 L91 A92 L95 L102 L103 Q138 V139 V141 | I88-L98 HydrophobicContact CG2-CD1 4.48Å; L91-L98 HydrophobicContact CB-CD1 4.21Å; L91-L98 HydrophobicContact CB-CD2 3.74Å; A92-L98 HydrophobicContact CB-CD1 4.16Å; L95-L98 HydrophobicContact CB-CD2 3.72Å; L95-L98 HydrophobicContact CD1-CD2 4.21Å; L98-L102 HydrophobicContact CD2-CD2 4.45Å; L98-L103 HydrophobicContact CB-CD1 4.06Å; L98-L103 HydrophobicContact CB-CG 4.3Å; L98-L103 HydrophobicContact CD1-CD2 4.33Å; L98-Q138 CarbonylContact O-C 3.39Å; L98-Q138 VanDerWaalsContact O-CA 3.28Å; L98-Q138 WeakPolarHBondContact O-CA 3.37Å; L98-V139 HydrophobicContact CB-CG1 3.66Å; L98-V139 HydrophobicContact CD1-CG1 4.3Å; L98-V139 HydrophobicContact CG-CG1 4.5Å; L98-V139 PolarHBondContact N-O 3.44Å; L98-V139 PolarHBondContact O-N 2.93Å; L98-V141 HydrophobicContact CD1-CG2 4.04Å |
| 99 | P | 94.7 | Very high | 91 | Very high | 49 Ų | 49 | 53.4 Ų | 53.4 | 32% | 0.318 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 144 | 175.1 | -19.2 | 32.5 | 0 | 0 | 0 | 111.5 | C97 S101 L102 L103 | C97-P99 WeakPolarHBondContact O-CD 3.5Å; P99-S101 VanDerWaalsContact C-N 3.27Å; P99-S101 PolarHBondContact O-N 2.84Å; P99-L102 HydrophobicContact CB-CB 4.48Å; P99-L102 WeakPolarHBondContact O-CB 3.34Å; P99-L102 PolarHBondContact O-N 3.34Å; P99-L103 PolarHBondContact O-N 3.29Å |
| 100 | Y | 94.4 | Very high | 90.8 | Very high | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.016 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.3 | -34.9 | 178.5 | -76.1 | 12.7 | 0 | 0 | 0 | 111.9 | L102 L103 L104 V112 L115 L119 Q137 V139 | Y100-L102 VanDerWaalsContact C-N 3.31Å; Y100-L102 PolarHBondContact O-N 2.91Å; Y100-L103 PolarHBondContact O-N 3.14Å; Y100-L104 WeakPolarHBondContact O-CB 3.49Å; Y100-L104 WeakPolarHBondContact O-CG 3.39Å; Y100-L104 PolarHBondContact O-N 2.9Å; Y100-V112 HydrophobicContact CD2-CG1 3.74Å; Y100-V112 HydrophobicContact CE2-CG1 3.72Å; Y100-L115 HydrophobicContact CD1-CD2 4.11Å; Y100-L115 HydrophobicContact CD2-CD2 4.27Å; Y100-L115 HydrophobicContact CG-CD2 3.9Å; Y100-L119 HydrophobicContact CE1-CD1 4.44Å; Y100-Q137 WeakPolarHBondContact CB-O 3.34Å; Y100-Q137 WeakPolarHBondContact CD1-O 3.45Å; Y100-Q137 HydrophobicContact CD2-CB 4.3Å; Y100-Q137 HydrophobicContact CG-CB 4.32Å; Y100-Q137 PolarHBondContact N-O 3.49Å; Y100-V139 HydrophobicContact CE1-CB 4.31Å |
| 101 | S | 92.9 | Very high | 90.8 | Very high | 85 Ų | 85 | 65.5 Ų | 65.5 | 59% | 0.594 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -57.8 | -43.5 | 175.6 | 52 | 0 | 0 | 0 | 0 | 112.5 | P99 Q105 | P99-S101 VanDerWaalsContact C-N 3.27Å; P99-S101 PolarHBondContact O-N 2.84Å; S101-Q105 WeakPolarHBondContact O-CB 3.47Å; S101-Q105 PolarHBondContact O-N 3.24Å; S101-Q105 VanDerWaalsContact O-N 3.08Å |
| 102 | L | 93 | Very high | 90.8 | Very high | 43 Ų | 43 | 66.3 Ų | 66.3 | 23% | 0.225 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.4 | -46.1 | 176.6 | 179.7 | 64.4 | 0 | 0 | 0 | 110.8 | L91 L95 L98 P99 Y100 Q105 Q106 | L91-L102 HydrophobicContact CD2-CD2 4.47Å; L95-L102 HydrophobicContact CD1-CD2 3.98Å; L98-L102 HydrophobicContact CD2-CD2 4.45Å; P99-L102 HydrophobicContact CB-CB 4.48Å; P99-L102 WeakPolarHBondContact O-CB 3.34Å; P99-L102 PolarHBondContact O-N 3.34Å; Y100-L102 VanDerWaalsContact C-N 3.31Å; Y100-L102 PolarHBondContact O-N 2.91Å; L102-Q105 PolarHBondContact O-N 3.1Å; L102-Q106 HydrophobicContact CD1-CG 3.9Å; L102-Q106 HydrophobicContact CG-CG 4.32Å; L102-Q106 WeakPolarHBondContact O-CB 3.39Å; L102-Q106 VanDerWaalsContact O-CG 3.24Å; L102-Q106 WeakPolarHBondContact O-CG 3.41Å; L102-Q106 PolarHBondContact O-N 3.44Å |
| 103 | L | 92.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 179.6 | -68.8 | 173.8 | 0 | 0 | 0 | 112.4 | I88 L91 L98 P99 Y100 Q105 Q106 L107 L115 L119 V139 | I88-L103 HydrophobicContact CG1-CD2 4.16Å; L91-L103 HydrophobicContact CD1-CD2 3.82Å; L98-L103 HydrophobicContact CB-CD1 4.06Å; L98-L103 HydrophobicContact CB-CG 4.3Å; L98-L103 HydrophobicContact CD1-CD2 4.33Å; P99-L103 PolarHBondContact O-N 3.29Å; Y100-L103 PolarHBondContact O-N 3.14Å; L103-Q105 VanDerWaalsContact C-N 3.29Å; L103-Q105 PolarHBondContact O-N 3.32Å; L103-Q106 PolarHBondContact O-N 2.88Å; L103-L107 HydrophobicContact CB-CD1 4.32Å; L103-L107 HydrophobicContact CD2-CD1 4.29Å; L103-L107 WeakPolarHBondContact O-CB 3.43Å; L103-L107 WeakPolarHBondContact O-CG 3.36Å; L103-L107 PolarHBondContact O-N 3.49Å; L103-L115 HydrophobicContact CB-CD1 3.74Å; L103-L115 HydrophobicContact CB-CD2 3.85Å; L103-L115 HydrophobicContact CB-CG 4.48Å; L103-L115 HydrophobicContact CD1-CD1 4.12Å; L103-L115 HydrophobicContact CD1-CD2 4.29Å; L103-L115 HydrophobicContact CG-CD1 4.49Å; L103-L119 HydrophobicContact CD1-CD1 4.39Å; L103-V139 HydrophobicContact CD1-CG1 3.74Å |
| 104 | L | 93 | Very high | 91.2 | Very high | 41 Ų | 41 | 72.6 Ų | 72.6 | 22% | 0.215 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.1 | -41 | 176.5 | -70.8 | 171.9 | 0 | 0 | 0 | 111.3 | Y100 E108 L109 V112 L115 | Y100-L104 WeakPolarHBondContact O-CB 3.49Å; Y100-L104 WeakPolarHBondContact O-CG 3.39Å; Y100-L104 PolarHBondContact O-N 2.9Å; L104-E108 VanDerWaalsContact O-CA 3.31Å; L104-E108 WeakPolarHBondContact O-CA 3.45Å; L104-E108 PolarHBondContact O-N 3.49Å; L104-E108 VanDerWaalsContact O-N 3.1Å; L104-L109 HydrophobicContact CD2-CB 3.75Å; L104-L109 PolarHBondContact O-N 2.87Å; L104-V112 HydrophobicContact CD1-CG2 4.29Å; L104-L115 HydrophobicContact CD2-CB 4.07Å; L104-L115 HydrophobicContact CD2-CD2 4.11Å; L104-L115 HydrophobicContact CG-CD2 4.1Å |
| 105 | Q | 91.9 | Very high | 91.5 | Very high | 145 Ų | 145 | 66 Ų | 66 | 68% | 0.678 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -68.7 | -49.1 | 177.5 | -176.5 | -180 | -19.9 | 0 | 0 | 112.1 | S101 L102 L103 | S101-Q105 WeakPolarHBondContact O-CB 3.47Å; S101-Q105 PolarHBondContact O-N 3.24Å; S101-Q105 VanDerWaalsContact O-N 3.08Å; L102-Q105 PolarHBondContact O-N 3.1Å; L103-Q105 VanDerWaalsContact C-N 3.29Å; L103-Q105 PolarHBondContact O-N 3.32Å |
| 106 | Q | 89.9 | Confident | 91.7 | Very high | 55 Ų | 55 | 63.5 Ų | 63.5 | 26% | 0.257 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -73.1 | -29.2 | -174.9 | -67.9 | -68.2 | -31 | 0 | 0 | 113.2 | C63 L91 L102 L103 | C63-Q106 PolarHBondContact SG-O 2.92Å; C63-Q106 PolarHBondContact SG-OE1 3.34Å; L91-Q106 HydrophobicContact CD1-CB 4.14Å; L91-Q106 HydrophobicContact CD1-CG 4.24Å; L102-Q106 HydrophobicContact CD1-CG 3.9Å; L102-Q106 HydrophobicContact CG-CG 4.32Å; L102-Q106 WeakPolarHBondContact O-CB 3.39Å; L102-Q106 VanDerWaalsContact O-CG 3.24Å; L102-Q106 WeakPolarHBondContact O-CG 3.41Å; L102-Q106 PolarHBondContact O-N 3.44Å; L103-Q106 PolarHBondContact O-N 2.88Å |
| 107 | L | 90.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -98.4 | -3.5 | -179.4 | -53 | 175.7 | 0 | 0 | 0 | 112.9 | Y62 R84 I88 L103 L109 L115 | Y62-L107 VanDerWaalsContact CE1-O 3.31Å; Y62-L107 WeakPolarHBondContact CE1-O 3.42Å; R84-L107 HydrophobicContact CB-CD2 3.93Å; R84-L107 HydrophobicContact CG-CB 4.3Å; R84-L107 HydrophobicContact CG-CD2 4.07Å; R84-L107 PolarHBondContact NE-O 3.14Å; R84-L107 VanDerWaalsContact NE-O 3.11Å; R84-L107 PolarHBondContact NH2-O 2.97Å; R84-L107 VanDerWaalsContact NH2-O 3.17Å; I88-L107 HydrophobicContact CD1-CD1 3.78Å; I88-L107 HydrophobicContact CG1-CD1 3.7Å; I88-L107 HydrophobicContact CG1-CD2 4.2Å; L103-L107 HydrophobicContact CB-CD1 4.32Å; L103-L107 HydrophobicContact CD2-CD1 4.29Å; L103-L107 WeakPolarHBondContact O-CB 3.43Å; L103-L107 WeakPolarHBondContact O-CG 3.36Å; L103-L107 PolarHBondContact O-N 3.49Å; L107-L109 HydrophobicContact CB-CD1 3.81Å; L107-L109 HydrophobicContact CB-CG 3.86Å; L107-L109 HydrophobicContact CD1-CD1 4Å; L107-L109 PolarHBondContact O-N 3.32Å; L107-L115 HydrophobicContact CD1-CD1 3.92Å |
| 108 | E | 88.7 | Confident | 91.9 | Very high | 97 Ų | 97 | 56.8 Ų | 56.8 | 45% | 0.453 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 55.3 | -175.2 | -158.6 | -171.7 | -166.8 | 0 | 0 | 112.1 | Y62 K66 L104 | Y62-E108 HydrophobicContact CE1-CB 3.91Å; K66-E108 WeakPolarHBondContact CD-OE2 3.32Å; K66-E108 WeakPolarHBondContact CE-OE2 3.45Å; K66-E108 IonicContact NZ-OE1 2.71Å; K66-E108 PolarHBondContact NZ-OE1 3.34Å; K66-E108 IonicContact NZ-OE2 2.65Å; K66-E108 PolarHBondContact NZ-OE2 3.31Å; L104-E108 VanDerWaalsContact O-CA 3.31Å; L104-E108 WeakPolarHBondContact O-CA 3.45Å; L104-E108 PolarHBondContact O-N 3.49Å; L104-E108 VanDerWaalsContact O-N 3.1Å |
| 109 | L | 88.6 | Confident | 91.8 | Very high | 13 Ų | 13 | 56.8 Ų | 56.8 | 7% | 0.068 | 28% | 0.281 | C | S | . | . | trans | -100.1 | 139 | 178.8 | -65.5 | 171 | 0 | 0 | 0 | 109.6 | R84 L104 L107 E114 L115 L118 | R84-L109 VanDerWaalsContact CZ-CD2 3.49Å; L104-L109 HydrophobicContact CD2-CB 3.75Å; L104-L109 PolarHBondContact O-N 2.87Å; L107-L109 HydrophobicContact CB-CD1 3.81Å; L107-L109 HydrophobicContact CB-CG 3.86Å; L107-L109 HydrophobicContact CD1-CD1 4Å; L107-L109 PolarHBondContact O-N 3.32Å; L109-E114 HydrophobicContact CD2-CB 4.35Å; L109-L115 HydrophobicContact CD1-CB 3.81Å; L109-L115 HydrophobicContact CD1-CD1 3.78Å; L109-L115 HydrophobicContact CD1-CG 4.41Å; L109-L118 HydrophobicContact CD1-CD1 3.68Å; L109-L118 HydrophobicContact CD2-CD1 3.77Å; L109-L118 HydrophobicContact CG-CD1 4.35Å | ||
| 110 | K | 87.2 | Confident | 91.7 | Very high | 187 Ų | 187 | 57.5 Ų | 57.5 | 81% | 0.813 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -82.3 | -32.2 | -176.5 | -64.2 | -179.4 | -178.1 | 177.2 | 0 | 112 | ||
| 111 | N | 90.9 | Very high | 91.6 | Very high | 85 Ų | 85 | 61.3 Ų | 61.3 | 46% | 0.455 | 30% | 0.299 | S | S | . | . | trans | -131.4 | 145.4 | -167.8 | -59.9 | -44.5 | 0 | 0 | 0 | 111.1 | R113 E114 L115 | N111-R113 PolarHBondContact O-N 2.92Å; N111-E114 HydrophobicContact CB-CG 4.4Å; N111-E114 PolarHBondContact ND2-OE1 3.46Å; N111-E114 PolarHBondContact O-N 3.48Å; N111-L115 PolarHBondContact O-N 3.2Å | ||
| 112 | V | 91.4 | Very high | 91.5 | Very high | 51 Ų | 51 | 57.3 Ų | 57.3 | 31% | 0.309 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.9 | -34 | 171.9 | 178 | 0 | 0 | 0 | 0 | 111.1 | Y100 L104 E114 L115 E116 | Y100-V112 HydrophobicContact CD2-CG1 3.74Å; Y100-V112 HydrophobicContact CE2-CG1 3.72Å; L104-V112 HydrophobicContact CD1-CG2 4.29Å; V112-E114 PolarHBondContact O-N 2.92Å; V112-L115 WeakPolarHBondContact O-CB 3.43Å; V112-L115 PolarHBondContact O-N 3.44Å; V112-E116 HydrophobicContact CG1-CG 4.19Å; V112-E116 WeakPolarHBondContact CG1-OE1 3.36Å; V112-E116 WeakPolarHBondContact O-CG 3.49Å; V112-E116 PolarHBondContact O-N 2.83Å |
| 113 | R | 92.5 | Very high | 91.4 | Very high | 146 Ų | 146 | 57.6 Ų | 57.6 | 55% | 0.551 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -61.2 | -45.2 | 179.3 | -175.7 | 65.7 | -156.7 | 173.9 | -1 | 113 | N111 L115 E116 D117 | N111-R113 PolarHBondContact O-N 2.92Å; R113-L115 VanDerWaalsContact C-N 3.27Å; R113-L115 PolarHBondContact O-N 2.81Å; R113-E116 IonicContact NH1-OE2 3.9Å; R113-E116 PolarHBondContact O-N 3.09Å; R113-D117 IonicContact CZ-OD1 3.27Å; R113-D117 IonicContact CZ-OD2 3.53Å; R113-D117 IonicContact NE-OD1 3.22Å; R113-D117 PolarHBondContact NE-OD1 3.17Å; R113-D117 IonicContact NE-OD2 2.71Å; R113-D117 PolarHBondContact NE-OD2 3.11Å; R113-D117 IonicContact NH2-OD1 3.21Å; R113-D117 PolarHBondContact NH2-OD1 3.16Å; R113-D117 IonicContact NH2-OD2 3.94Å; R113-D117 WeakPolarHBondContact O-CB 3.31Å; R113-D117 VanDerWaalsContact O-CG 3.32Å; R113-D117 PolarHBondContact O-N 3.23Å |
| 114 | E | 92.4 | Very high | 91.3 | Very high | 81 Ų | 81 | 66.8 Ų | 66.8 | 38% | 0.379 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.2 | -35.2 | 177.4 | -69.1 | 169 | -148.5 | 0 | 0 | 111.4 | L109 N111 V112 L118 | L109-E114 HydrophobicContact CD2-CB 4.35Å; N111-E114 HydrophobicContact CB-CG 4.4Å; N111-E114 PolarHBondContact ND2-OE1 3.46Å; N111-E114 PolarHBondContact O-N 3.48Å; V112-E114 PolarHBondContact O-N 2.92Å; E114-L118 WeakPolarHBondContact O-CG 3.37Å; E114-L118 PolarHBondContact O-N 2.94Å; E114-L118 VanDerWaalsContact O-N 3.1Å |
| 115 | L | 93.1 | Very high | 91 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.7 | -47.4 | 173.9 | 174.5 | 63.7 | 0 | 0 | 0 | 111.7 | Y100 L103 L104 L107 L109 N111 V112 R113 L118 L119 | Y100-L115 HydrophobicContact CD1-CD2 4.11Å; Y100-L115 HydrophobicContact CD2-CD2 4.27Å; Y100-L115 HydrophobicContact CG-CD2 3.9Å; L103-L115 HydrophobicContact CB-CD1 3.74Å; L103-L115 HydrophobicContact CB-CD2 3.85Å; L103-L115 HydrophobicContact CB-CG 4.48Å; L103-L115 HydrophobicContact CD1-CD1 4.12Å; L103-L115 HydrophobicContact CD1-CD2 4.29Å; L103-L115 HydrophobicContact CG-CD1 4.49Å; L104-L115 HydrophobicContact CD2-CB 4.07Å; L104-L115 HydrophobicContact CD2-CD2 4.11Å; L104-L115 HydrophobicContact CG-CD2 4.1Å; L107-L115 HydrophobicContact CD1-CD1 3.92Å; L109-L115 HydrophobicContact CD1-CB 3.81Å; L109-L115 HydrophobicContact CD1-CD1 3.78Å; L109-L115 HydrophobicContact CD1-CG 4.41Å; N111-L115 PolarHBondContact O-N 3.2Å; V112-L115 WeakPolarHBondContact O-CB 3.43Å; V112-L115 PolarHBondContact O-N 3.44Å; R113-L115 VanDerWaalsContact C-N 3.27Å; R113-L115 PolarHBondContact O-N 2.81Å; L115-L118 PolarHBondContact O-N 2.82Å; L115-L119 HydrophobicContact CD1-CD1 4.12Å; L115-L119 HydrophobicContact CD1-CG 4.18Å; L115-L119 HydrophobicContact CG-CD1 4Å; L115-L119 HydrophobicContact CG-CG 4.47Å; L115-L119 VanDerWaalsContact O-CG 3.31Å; L115-L119 WeakPolarHBondContact O-CG 3.39Å; L115-L119 PolarHBondContact O-N 3.39Å |
| 116 | E | 93.4 | Very high | 90.9 | Very high | 29 Ų | 29 | 66 Ų | 66 | 14% | 0.136 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 177 | -73.1 | 174.1 | -166.8 | 0 | 0 | 111.4 | V112 R113 L118 L119 I120 L132 Q134 | V112-E116 HydrophobicContact CG1-CG 4.19Å; V112-E116 WeakPolarHBondContact CG1-OE1 3.36Å; V112-E116 WeakPolarHBondContact O-CG 3.49Å; V112-E116 PolarHBondContact O-N 2.83Å; R113-E116 IonicContact NH1-OE2 3.9Å; R113-E116 PolarHBondContact O-N 3.09Å; E116-L118 VanDerWaalsContact C-N 3.32Å; E116-L118 PolarHBondContact O-N 3.08Å; E116-L119 PolarHBondContact O-N 2.65Å; E116-I120 WeakPolarHBondContact O-CB 3.34Å; E116-I120 WeakPolarHBondContact O-CD1 2.97Å; E116-I120 WeakPolarHBondContact O-CG1 3.34Å; E116-I120 PolarHBondContact O-N 3.48Å; E116-L132 HydrophobicContact CB-CD2 4.32Å; E116-L132 HydrophobicContact CG-CD2 4.11Å; E116-Q134 PolarHBondContact OE1-NE2 3.27Å; E116-Q134 PolarHBondContact OE1-OE1 3.24Å |
| 117 | D | 93.4 | Very high | 90.8 | Very high | 71 Ų | 71 | 63.6 Ų | 63.6 | 38% | 0.38 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.5 | -39 | 179.1 | -70.4 | -32.1 | 0 | 0 | 0 | 111.2 | R113 I120 E121 | R113-D117 IonicContact CZ-OD1 3.27Å; R113-D117 IonicContact CZ-OD2 3.53Å; R113-D117 IonicContact NE-OD1 3.22Å; R113-D117 PolarHBondContact NE-OD1 3.17Å; R113-D117 IonicContact NE-OD2 2.71Å; R113-D117 PolarHBondContact NE-OD2 3.11Å; R113-D117 IonicContact NH2-OD1 3.21Å; R113-D117 PolarHBondContact NH2-OD1 3.16Å; R113-D117 IonicContact NH2-OD2 3.94Å; R113-D117 WeakPolarHBondContact O-CB 3.31Å; R113-D117 VanDerWaalsContact O-CG 3.32Å; R113-D117 PolarHBondContact O-N 3.23Å; D117-I120 PolarHBondContact O-N 3.46Å; D117-E121 WeakPolarHBondContact O-CB 3.41Å; D117-E121 PolarHBondContact O-N 3.15Å |
| 118 | L | 92.3 | Very high | 90.9 | Very high | 10 Ų | 10 | 63.9 Ų | 63.9 | 5% | 0.052 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.3 | -41.4 | 173 | -77 | 169.4 | 0 | 0 | 0 | 113.1 | N81 H85 L109 E114 L115 E116 I120 E121 A122 | N81-L118 HydrophobicContact CB-CD2 3.96Å; H85-L118 PolarHBondContact NE2-O 2.76Å; L109-L118 HydrophobicContact CD1-CD1 3.68Å; L109-L118 HydrophobicContact CD2-CD1 3.77Å; L109-L118 HydrophobicContact CG-CD1 4.35Å; E114-L118 WeakPolarHBondContact O-CG 3.37Å; E114-L118 PolarHBondContact O-N 2.94Å; E114-L118 VanDerWaalsContact O-N 3.1Å; L115-L118 PolarHBondContact O-N 2.82Å; E116-L118 VanDerWaalsContact C-N 3.32Å; E116-L118 PolarHBondContact O-N 3.08Å; L118-I120 VanDerWaalsContact C-N 3.32Å; L118-E121 PolarHBondContact O-N 3.44Å; L118-A122 WeakPolarHBondContact O-CB 3.48Å; L118-A122 PolarHBondContact O-N 2.96Å |
| 119 | L | 92.4 | Very high | 91 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 176.4 | -72.8 | 171 | 0 | 0 | 0 | 110.9 | I88 Y100 L103 L115 E116 A122 V123 I128 L132 V139 | I88-L119 HydrophobicContact CD1-CD2 4.07Å; I88-L119 HydrophobicContact CG2-CD2 4.25Å; Y100-L119 HydrophobicContact CE1-CD1 4.44Å; L103-L119 HydrophobicContact CD1-CD1 4.39Å; L115-L119 HydrophobicContact CD1-CD1 4.12Å; L115-L119 HydrophobicContact CD1-CG 4.18Å; L115-L119 HydrophobicContact CG-CD1 4Å; L115-L119 HydrophobicContact CG-CG 4.47Å; L115-L119 VanDerWaalsContact O-CG 3.31Å; L115-L119 WeakPolarHBondContact O-CG 3.39Å; L115-L119 PolarHBondContact O-N 3.39Å; E116-L119 PolarHBondContact O-N 2.65Å; L119-A122 PolarHBondContact O-N 3Å; L119-V123 WeakPolarHBondContact O-CG2 3.43Å; L119-V123 PolarHBondContact O-N 3.28Å; L119-I128 HydrophobicContact CD2-CD1 3.9Å; L119-L132 HydrophobicContact CB-CD2 4.19Å; L119-L132 HydrophobicContact CD1-CD2 4.18Å; L119-L132 HydrophobicContact CD1-CG 4.39Å; L119-V139 HydrophobicContact CD1-CB 4.26Å; L119-V139 HydrophobicContact CD1-CG1 4.3Å; L119-V139 HydrophobicContact CD2-CG1 4.34Å |
| 120 | I | 92.9 | Very high | 91.1 | Very high | 65 Ų | 65 | 64.7 Ų | 64.7 | 33% | 0.333 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.1 | -48.2 | 174.3 | -68.9 | 163.5 | 0 | 0 | 0 | 109.4 | E116 D117 L118 A122 V123 Y124 | E116-I120 WeakPolarHBondContact O-CB 3.34Å; E116-I120 WeakPolarHBondContact O-CD1 2.97Å; E116-I120 WeakPolarHBondContact O-CG1 3.34Å; E116-I120 PolarHBondContact O-N 3.48Å; D117-I120 PolarHBondContact O-N 3.46Å; L118-I120 VanDerWaalsContact C-N 3.32Å; I120-A122 VanDerWaalsContact C-N 3.27Å; I120-A122 PolarHBondContact O-N 3.37Å; I120-V123 PolarHBondContact O-N 3.05Å; I120-V123 VanDerWaalsContact O-N 3.14Å; I120-Y124 HydrophobicContact CG2-CD2 3.6Å; I120-Y124 HydrophobicContact CG2-CE2 3.55Å; I120-Y124 VanDerWaalsContact O-CD2 3.22Å; I120-Y124 WeakPolarHBondContact O-CD2 3.39Å; I120-Y124 PolarHBondContact O-N 2.78Å |
| 121 | E | 91.4 | Very high | 91.4 | Very high | 83 Ų | 83 | 62.6 Ų | 62.6 | 39% | 0.388 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -56.4 | -42.7 | 176.4 | -170.3 | -178.7 | 167.4 | 0 | 0 | 111.8 | H85 D117 L118 V123 Y124 C125 | H85-E121 IonicContact CE1-OE1 3.87Å; D117-E121 WeakPolarHBondContact O-CB 3.41Å; D117-E121 PolarHBondContact O-N 3.15Å; L118-E121 PolarHBondContact O-N 3.44Å; E121-V123 PolarHBondContact O-N 3.19Å; E121-Y124 PolarHBondContact O-N 2.93Å; E121-C125 WeakPolarHBondContact O-CB 3.22Å; E121-C125 PolarHBondContact O-N 3.2Å; E121-C125 PolarHBondContact O-SG 2.93Å |
| 122 | A | 90.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.5 | -37.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L118 L119 I120 I127 I128 | L118-A122 WeakPolarHBondContact O-CB 3.48Å; L118-A122 PolarHBondContact O-N 2.96Å; L119-A122 PolarHBondContact O-N 3Å; I120-A122 VanDerWaalsContact C-N 3.27Å; I120-A122 PolarHBondContact O-N 3.37Å; A122-I127 HydrophobicContact CB-CB 4.47Å; A122-I127 HydrophobicContact CB-CD1 4.24Å; A122-I127 WeakPolarHBondContact O-CB 3.47Å; A122-I127 PolarHBondContact O-N 3.06Å; A122-I128 HydrophobicContact CB-CD1 3.81Å; A122-I128 HydrophobicContact CB-CG1 3.82Å; A122-I128 PolarHBondContact O-N 3.39Å |
| 123 | V | 91.4 | Very high | 91.5 | Very high | 49 Ų | 49 | 61 Ų | 61 | 30% | 0.297 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.2 | -43 | 172.7 | 173.1 | 0 | 0 | 0 | 0 | 111 | L119 I120 E121 C125 D126 I128 | L119-V123 WeakPolarHBondContact O-CG2 3.43Å; L119-V123 PolarHBondContact O-N 3.28Å; I120-V123 PolarHBondContact O-N 3.05Å; I120-V123 VanDerWaalsContact O-N 3.14Å; E121-V123 PolarHBondContact O-N 3.19Å; V123-C125 PolarHBondContact O-N 3.46Å; V123-D126 PolarHBondContact O-N 2.95Å; V123-I128 WeakPolarHBondContact CA-O 3.36Å; V123-I128 HydrophobicContact CG2-CD1 4.12Å; V123-I128 HydrophobicContact CG2-CG1 3.74Å |
| 124 | Y | 90.3 | Very high | 91.4 | Very high | 193 Ų | 193 | 58.9 Ų | 58.9 | 76% | 0.757 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65.1 | -27.7 | 178.7 | -91.7 | -105.6 | 0 | 0 | 0 | 113.2 | I120 E121 D126 | I120-Y124 HydrophobicContact CG2-CD2 3.6Å; I120-Y124 HydrophobicContact CG2-CE2 3.55Å; I120-Y124 VanDerWaalsContact O-CD2 3.22Å; I120-Y124 WeakPolarHBondContact O-CD2 3.39Å; I120-Y124 PolarHBondContact O-N 2.78Å; E121-Y124 PolarHBondContact O-N 2.93Å; Y124-D126 VanDerWaalsContact C-N 3.27Å |
| 125 | C | 87.2 | Confident | 91.4 | Very high | 54 Ų | 54 | 65 Ų | 65 | 37% | 0.365 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 8.6 | 174.6 | -64.3 | 0 | 0 | 0 | 0 | 113.3 | E121 V123 I127 | E121-C125 WeakPolarHBondContact O-CB 3.22Å; E121-C125 PolarHBondContact O-N 3.2Å; E121-C125 PolarHBondContact O-SG 2.93Å; V123-C125 PolarHBondContact O-N 3.46Å; C125-I127 HydrophobicContact CB-CD1 3.71Å; C125-I127 HydrophobicContact CB-CG1 3.68Å; C125-I127 PolarHBondContact O-N 3.41Å; C125-I127 VanDerWaalsContact O-N 3.14Å |
| 126 | D | 88.4 | Confident | 91.4 | Very high | 117 Ų | 117 | 68.9 Ų | 68.9 | 63% | 0.626 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 26.3 | -176.4 | -67.3 | -48.9 | 0 | 0 | 0 | 114.2 | V123 Y124 V145 | V123-D126 PolarHBondContact O-N 2.95Å; Y124-D126 VanDerWaalsContact C-N 3.27Å; D126-V145 VanDerWaalsContact O-CG2 3.27Å; D126-V145 WeakPolarHBondContact O-CG2 3.49Å |
| 127 | I | 88.9 | Confident | 91.4 | Very high | 4 Ų | 4 | 73.6 Ų | 73.6 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -79.5 | -42.8 | 180 | -54.8 | 168.2 | 0 | 0 | 0 | 110.3 | Y28 H85 I89 A122 C125 S144 V145 | Y28-I127 HydrophobicContact CD2-CD1 4.45Å; Y28-I127 HydrophobicContact CD2-CG1 4.27Å; Y28-I127 HydrophobicContact CE1-CD1 3.75Å; Y28-I127 HydrophobicContact CE1-CG1 4.49Å; Y28-I127 HydrophobicContact CE2-CD1 3.59Å; Y28-I127 HydrophobicContact CE2-CG1 3.71Å; Y28-I127 WeakPolarHBondContact OH-CD1 3.48Å; H85-I127 HydrophobicContact CB-CD1 4.09Å; I89-I127 HydrophobicContact CD1-CG2 3.25Å; I89-I127 HydrophobicContact CG1-CG2 3.52Å; A122-I127 HydrophobicContact CB-CB 4.47Å; A122-I127 HydrophobicContact CB-CD1 4.24Å; A122-I127 WeakPolarHBondContact O-CB 3.47Å; A122-I127 PolarHBondContact O-N 3.06Å; C125-I127 HydrophobicContact CB-CD1 3.71Å; C125-I127 HydrophobicContact CB-CG1 3.68Å; C125-I127 PolarHBondContact O-N 3.41Å; C125-I127 VanDerWaalsContact O-N 3.14Å; I127-S144 WeakPolarHBondContact O-CA 3.49Å; I127-V145 WeakPolarHBondContact O-CG2 3.36Å; I127-V145 PolarHBondContact O-N 2.92Å |
| 128 | I | 91 | Very high | 91.4 | Very high | 5 Ų | 5 | 72.3 Ų | 72.3 | 3% | 0.026 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 139.2 | 178 | 64.5 | 176 | 0 | 0 | 0 | 108.6 | I88 I89 L119 A122 V123 | I88-I128 HydrophobicContact CG2-CD1 4.4Å; I88-I128 HydrophobicContact CG2-CG2 4.41Å; I89-I128 HydrophobicContact CG1-CG2 4.49Å; L119-I128 HydrophobicContact CD2-CD1 3.9Å; A122-I128 HydrophobicContact CB-CD1 3.81Å; A122-I128 HydrophobicContact CB-CG1 3.82Å; A122-I128 PolarHBondContact O-N 3.39Å; V123-I128 WeakPolarHBondContact CA-O 3.36Å; V123-I128 HydrophobicContact CG2-CD1 4.12Å; V123-I128 HydrophobicContact CG2-CG1 3.74Å |
| 129 | Q | 91.4 | Very high | 91.4 | Very high | 105 Ų | 105 | 72 Ų | 72 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 128.3 | 166.9 | -59.7 | -176.4 | -5.8 | 0 | 0 | 107.5 | D142 C143 | Q129-D142 PolarHBondContact O-N 3.33Å; Q129-C143 VanDerWaalsContact CB-SG 3.54Å; Q129-C143 VanDerWaalsContact CG-SG 3.54Å; Q129-C143 PolarHBondContact N-O 3.08Å; Q129-C143 PolarHBondContact O-N 3.26Å; Q129-C143 PolarHBondContact OE1-SG 3.24Å |
| 130 | G | 91 | Very high | 91.5 | Very high | 22 Ų | 22 | 75.7 Ų | 75.7 | 23% | 0.227 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.4 | -176.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113 | E140 | G130-E140 CarbonylContact C-O 3.54Å; G130-E140 WeakPolarHBondContact CA-O 3.42Å |
| 131 | K | 92.1 | Very high | 91.5 | Very high | 144 Ų | 144 | 73.1 Ų | 73.1 | 63% | 0.626 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 137.6 | -179 | -66.4 | 176.5 | -174.2 | 164.8 | 0 | 110.5 | E140 | K131-E140 PolarHBondContact N-O 3.44Å; K131-E140 PolarHBondContact O-N 2.95Å |
| 132 | L | 93.4 | Very high | 91.5 | Very high | 66 Ų | 66 | 74.8 Ų | 74.8 | 35% | 0.346 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 120.1 | 173.8 | -72.2 | 75.1 | 0 | 0 | 0 | 108.5 | E116 L119 V139 | E116-L132 HydrophobicContact CB-CD2 4.32Å; E116-L132 HydrophobicContact CG-CD2 4.11Å; L119-L132 HydrophobicContact CB-CD2 4.19Å; L119-L132 HydrophobicContact CD1-CD2 4.18Å; L119-L132 HydrophobicContact CD1-CG 4.39Å; L132-V139 HydrophobicContact CD1-CG2 4.39Å; L132-V139 HydrophobicContact CG-CG2 4.34Å |
| 133 | D | 92.5 | Very high | 91.3 | Very high | 37 Ų | 37 | 77.5 Ų | 77.5 | 20% | 0.198 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 91.8 | 173 | -175.7 | -9.5 | 0 | 0 | 0 | 109.8 | R135 N136 Q137 Q138 | D133-R135 PolarHBondContact O-N 3.05Å; D133-R135 WeakPolarHBondContact OD1-CB 3.47Å; D133-R135 PolarHBondContact OD1-N 3.37Å; D133-N136 PolarHBondContact O-N 3.01Å; D133-N136 PolarHBondContact OD1-N 2.96Å; D133-N136 VanDerWaalsContact OD1-N 3.1Å; D133-N136 WeakPolarHBondContact OD2-CB 3.37Å; D133-N136 PolarHBondContact OD2-ND2 2.79Å; D133-Q137 PolarHBondContact O-N 3.35Å; D133-Q138 CarbonylContact C-O 3.55Å; D133-Q138 WeakPolarHBondContact CA-O 3.43Å; D133-Q138 HydrophobicContact CB-CG 4.02Å; D133-Q138 PolarHBondContact N-O 3.43Å; D133-Q138 PolarHBondContact O-N 2.69Å; D133-Q138 VanDerWaalsContact O-N 3.08Å |
| 134 | Q | 90.8 | Very high | 91.1 | Very high | 101 Ų | 101 | 77 Ų | 77 | 47% | 0.472 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -27.1 | 179.6 | -169.4 | 66.3 | -15.1 | 0 | 0 | 113.2 | E116 Q137 | E116-Q134 PolarHBondContact OE1-NE2 3.27Å; E116-Q134 PolarHBondContact OE1-OE1 3.24Å; Q134-Q137 PolarHBondContact O-N 3.06Å |
| 135 | R | 92.3 | Very high | 91 | Very high | 209 Ų | 209 | 70.8 Ų | 70.8 | 79% | 0.789 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -43.3 | -178.4 | -175 | -176.5 | 71 | 172.6 | -0.2 | 110.5 | D133 | D133-R135 PolarHBondContact O-N 3.05Å; D133-R135 WeakPolarHBondContact OD1-CB 3.47Å; D133-R135 PolarHBondContact OD1-N 3.37Å |
| 136 | N | 91.8 | Very high | 90.7 | Very high | 82 Ų | 82 | 71 Ų | 71 | 44% | 0.439 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 0.7 | 179.2 | -67.4 | -38.5 | 0 | 0 | 0 | 113 | D133 Q138 | D133-N136 PolarHBondContact O-N 3.01Å; D133-N136 PolarHBondContact OD1-N 2.96Å; D133-N136 VanDerWaalsContact OD1-N 3.1Å; D133-N136 WeakPolarHBondContact OD2-CB 3.37Å; D133-N136 PolarHBondContact OD2-ND2 2.79Å; N136-Q138 VanDerWaalsContact C-N 3.32Å; N136-Q138 HydrophobicContact CB-CG 3.9Å; N136-Q138 PolarHBondContact O-N 3.05Å |
| 137 | Q | 93.1 | Very high | 90.5 | Very high | 128 Ų | 128 | 68 Ų | 68 | 60% | 0.598 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 46.8 | -178 | -58.9 | -175 | -16.1 | 0 | 0 | 112.4 | Y100 D133 Q134 | Y100-Q137 WeakPolarHBondContact CB-O 3.34Å; Y100-Q137 WeakPolarHBondContact CD1-O 3.45Å; Y100-Q137 HydrophobicContact CD2-CB 4.3Å; Y100-Q137 HydrophobicContact CG-CB 4.32Å; Y100-Q137 PolarHBondContact N-O 3.49Å; D133-Q137 PolarHBondContact O-N 3.35Å; Q134-Q137 PolarHBondContact O-N 3.06Å |
| 138 | Q | 93.7 | Very high | 90.2 | Very high | 44 Ų | 44 | 68.4 Ų | 68.4 | 21% | 0.206 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 157.7 | -179.1 | 66.7 | -174.6 | 8 | 0 | 0 | 111.3 | L98 D133 N136 | L98-Q138 CarbonylContact O-C 3.39Å; L98-Q138 VanDerWaalsContact O-CA 3.28Å; L98-Q138 WeakPolarHBondContact O-CA 3.37Å; D133-Q138 CarbonylContact C-O 3.55Å; D133-Q138 WeakPolarHBondContact CA-O 3.43Å; D133-Q138 HydrophobicContact CB-CG 4.02Å; D133-Q138 PolarHBondContact N-O 3.43Å; D133-Q138 PolarHBondContact O-N 2.69Å; D133-Q138 VanDerWaalsContact O-N 3.08Å; N136-Q138 VanDerWaalsContact C-N 3.32Å; N136-Q138 HydrophobicContact CB-CG 3.9Å; N136-Q138 PolarHBondContact O-N 3.05Å |
| 139 | V | 93.5 | Very high | 89.4 | Confident | 2 Ų | 2 | 72.7 Ų | 72.7 | 1% | 0.012 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 128.2 | 167.6 | 61.3 | 0 | 0 | 0 | 0 | 108.7 | C97 L98 Y100 L103 L119 L132 V141 | C97-V139 WeakPolarHBondContact CA-O 3.5Å; L98-V139 HydrophobicContact CB-CG1 3.66Å; L98-V139 HydrophobicContact CD1-CG1 4.3Å; L98-V139 HydrophobicContact CG-CG1 4.5Å; L98-V139 PolarHBondContact N-O 3.44Å; L98-V139 PolarHBondContact O-N 2.93Å; Y100-V139 HydrophobicContact CE1-CB 4.31Å; L103-V139 HydrophobicContact CD1-CG1 3.74Å; L119-V139 HydrophobicContact CD1-CB 4.26Å; L119-V139 HydrophobicContact CD1-CG1 4.3Å; L119-V139 HydrophobicContact CD2-CG1 4.34Å; L132-V139 HydrophobicContact CD1-CG2 4.39Å; L132-V139 HydrophobicContact CG-CG2 4.34Å; V139-V141 HydrophobicContact CG1-CG2 4.45Å; V139-V141 HydrophobicContact CG2-CG2 4.41Å |
| 140 | E | 93.6 | Very high | 88.5 | Confident | 78 Ų | 78 | 68.4 Ų | 68.4 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 117.3 | 173.7 | -64.4 | -178.3 | 176.9 | 0 | 0 | 107.6 | G130 K131 | G130-E140 CarbonylContact C-O 3.54Å; G130-E140 WeakPolarHBondContact CA-O 3.42Å; K131-E140 PolarHBondContact N-O 3.44Å; K131-E140 PolarHBondContact O-N 2.95Å |
| 141 | V | 93.4 | Very high | 87.4 | Confident | 11 Ų | 11 | 72.9 Ų | 72.9 | 7% | 0.067 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 117 | 179.7 | -173.1 | 0 | 0 | 0 | 0 | 108.5 | A92 K96 L98 V139 C143 | A92-V141 HydrophobicContact CB-CB 4.22Å; A92-V141 HydrophobicContact CB-CG1 3.9Å; A92-V141 HydrophobicContact CB-CG2 4.16Å; K96-V141 PolarHBondContact O-N 3.16Å; L98-V141 HydrophobicContact CD1-CG2 4.04Å; V139-V141 HydrophobicContact CG1-CG2 4.45Å; V139-V141 HydrophobicContact CG2-CG2 4.41Å; V141-C143 WeakPolarHBondContact CG1-O 3.22Å |
| 142 | D | 90.3 | Very high | 86.5 | Confident | 118 Ų | 118 | 72.2 Ų | 72.2 | 63% | 0.631 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | -47.1 | 178.4 | -69.8 | -39.8 | 0 | 0 | 0 | 110.6 | Q129 | Q129-D142 PolarHBondContact O-N 3.33Å |
| 143 | C | 86.6 | Confident | 85.9 | Confident | 59 Ų | 59 | 74 Ų | 74 | 40% | 0.399 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 156.6 | 170.9 | 74.3 | 0 | 0 | 0 | 0 | 111.5 | Q129 V141 | Q129-C143 VanDerWaalsContact CB-SG 3.54Å; Q129-C143 VanDerWaalsContact CG-SG 3.54Å; Q129-C143 PolarHBondContact N-O 3.08Å; Q129-C143 PolarHBondContact O-N 3.26Å; Q129-C143 PolarHBondContact OE1-SG 3.24Å; V141-C143 WeakPolarHBondContact CG1-O 3.22Å |
| 144 | S | 88.2 | Confident | 85.6 | Confident | 39 Ų | 39 | 77.8 Ų | 77.8 | 27% | 0.273 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 149.5 | 174.4 | 57.3 | 0 | 0 | 0 | 0 | 109.3 | I127 | I127-S144 WeakPolarHBondContact O-CA 3.49Å |
| 145 | V | 87.3 | Confident | 85.5 | Confident | 62 Ų | 62 | 76.1 Ų | 76.1 | 38% | 0.376 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 141.2 | 170.7 | 175.1 | 0 | 0 | 0 | 0 | 109.3 | I89 D126 I127 R147 | I89-V145 WeakPolarHBondContact CG2-O 3.08Å; D126-V145 VanDerWaalsContact O-CG2 3.27Å; D126-V145 WeakPolarHBondContact O-CG2 3.49Å; I127-V145 WeakPolarHBondContact O-CG2 3.36Å; I127-V145 PolarHBondContact O-N 2.92Å; V145-R147 PolarHBondContact O-N 3.23Å |
| 146 | G | 82.1 | Confident | 85.3 | Confident | 57 Ų | 57 | 70.3 Ų | 70.3 | 59% | 0.588 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 127.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 147 | R | 84.4 | Confident | 85.2 | Confident | 55 Ų | 55 | 69.4 Ų | 69.4 | 21% | 0.208 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -83.4 | 164.1 | 167.6 | -164.3 | 175.7 | 70.9 | 152.8 | 2.1 | 110.2 | Y59 G60 L86 I89 S90 V145 L149 | Y59-R147 PolarHBondContact O-NH1 2.98Å; Y59-R147 PolarHBondContact O-NH2 3.27Å; G60-R147 PolarHBondContact O-NH1 2.96Å; L86-R147 HydrophobicContact CD2-CG 4.11Å; I89-R147 HydrophobicContact CG2-CB 4.17Å; S90-R147 PolarHBondContact OG-NE 2.71Å; S90-R147 PolarHBondContact OG-NH1 3.28Å; S90-R147 PolarHBondContact OG-NH2 3.12Å; V145-R147 PolarHBondContact O-N 3.23Å; R147-L149 PolarHBondContact O-N 3.42Å |
| 148 | D | 80.9 | Confident | 85.1 | Confident | 12 Ų | 12 | 65.9 Ų | 65.9 | 6% | 0.064 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -46 | 132.5 | 169.6 | -66.1 | -59.2 | 0 | 0 | 0 | 112.7 | V29 F30 S31 A58 Y59 | V29-D148 WeakPolarHBondContact CG1-OD1 2.91Å; F30-D148 PolarHBondContact N-OD1 2.94Å; F30-D148 PolarHBondContact N-OD2 2.96Å; S31-D148 VanDerWaalsContact CB-OD1 3.27Å; S31-D148 WeakPolarHBondContact CB-OD1 3.39Å; S31-D148 PolarHBondContact N-OD1 3.32Å; S31-D148 VanDerWaalsContact OG-CB 3.29Å; S31-D148 WeakPolarHBondContact OG-CB 3.27Å; S31-D148 PolarHBondContact OG-OD1 3.03Å; S31-D148 VanDerWaalsContact OG-OD1 3.06Å; A58-D148 WeakPolarHBondContact CA-OD2 3.45Å; A58-D148 HydrophobicContact CB-CB 4.15Å; A58-D148 WeakPolarHBondContact O-CB 3.39Å; Y59-D148 HydrophobicContact CD1-CB 4.29Å; Y59-D148 HydrophobicContact CE1-CB 4Å |
| 149 | L | 75.4 | Confident | 85.2 | Confident | 95 Ų | 95 | 68.3 Ų | 68.3 | 50% | 0.497 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -90.7 | 125.5 | 179.6 | -64 | 177.5 | 0 | 0 | 0 | 109.9 | Y59 R147 I157 | Y59-L149 WeakPolarHBondContact CE1-O 3.32Å; R147-L149 PolarHBondContact O-N 3.42Å; L149-I157 HydrophobicContact CD1-CD1 4.02Å; L149-I157 HydrophobicContact CD2-CD1 3.66Å; L149-I157 HydrophobicContact CG-CD1 4.49Å |
| 150 | G | 72 | Confident | 85.1 | Confident | 16 Ų | 16 | 72 Ų | 72 | 17% | 0.165 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 153.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | N152 E153 | G150-N152 PolarHBondContact O-N 3.02Å; G150-E153 WeakPolarHBondContact O-CB 3.14Å; G150-E153 PolarHBondContact O-N 3.42Å |
| 151 | P | 67.9 | Low | 85.1 | Confident | 115 Ų | 115 | 72.7 Ų | 72.7 | 75% | 0.747 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -17.5 | -177 | 20.8 | -31.6 | 0 | 0 | 0 | 114.4 | ||
| 152 | N | 73.4 | Confident | 85.3 | Confident | 131 Ų | 131 | 77.5 Ų | 77.5 | 70% | 0.701 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | 0.3 | -179.9 | -61.6 | -33.5 | 0 | 0 | 0 | 114 | G150 P155 | G150-N152 PolarHBondContact O-N 3.02Å; N152-P155 WeakPolarHBondContact O-CD 3.49Å; N152-P155 WeakPolarHBondContact O-CG 3.37Å |
| 153 | E | 79.9 | Confident | 85.6 | Confident | 102 Ų | 102 | 78.6 Ų | 78.6 | 48% | 0.477 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -25 | -175.1 | -65.8 | -89.7 | 112.2 | 0 | 0 | 112.3 | G150 N156 I157 | G150-E153 WeakPolarHBondContact O-CB 3.14Å; G150-E153 PolarHBondContact O-N 3.42Å; E153-N156 WeakPolarHBondContact O-CB 3.35Å; E153-N156 PolarHBondContact O-N 3.5Å; E153-N156 VanDerWaalsContact O-N 3.09Å; E153-I157 WeakPolarHBondContact O-CG1 3.16Å; E153-I157 PolarHBondContact O-N 3.18Å |
| 154 | L | 86.4 | Confident | 86.1 | Confident | 117 Ų | 117 | 84.3 Ų | 84.3 | 61% | 0.613 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -55.6 | -47.6 | 179.5 | -170.7 | 67.3 | 0 | 0 | 0 | 114.4 | N156 I157 A158 | L154-N156 VanDerWaalsContact C-N 3.26Å; L154-N156 PolarHBondContact O-N 2.99Å; L154-I157 PolarHBondContact O-N 2.85Å; L154-A158 PolarHBondContact O-N 3.14Å |
| 155 | P | 89.2 | Confident | 86.5 | Confident | 67 Ų | 67 | 85.2 Ų | 85.2 | 44% | 0.435 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.5 | -32 | 176.1 | 24.1 | -34 | 0 | 0 | 0 | 112.5 | N152 A158 N159 | N152-P155 WeakPolarHBondContact O-CD 3.49Å; N152-P155 WeakPolarHBondContact O-CG 3.37Å; P155-A158 PolarHBondContact O-N 3.15Å; P155-N159 WeakPolarHBondContact O-CB 3.48Å; P155-N159 PolarHBondContact O-N 2.93Å; P155-N159 PolarHBondContact O-ND2 3.31Å |
| 156 | N | 88.4 | Confident | 87 | Confident | 86 Ų | 86 | 84.8 Ų | 84.8 | 46% | 0.46 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.9 | -41.2 | 177 | -62.4 | -7.5 | 0 | 0 | 0 | 111 | E153 L154 N159 T160 | E153-N156 WeakPolarHBondContact O-CB 3.35Å; E153-N156 PolarHBondContact O-N 3.5Å; E153-N156 VanDerWaalsContact O-N 3.09Å; L154-N156 VanDerWaalsContact C-N 3.26Å; L154-N156 PolarHBondContact O-N 2.99Å; N156-N159 PolarHBondContact O-N 3Å; N156-T160 WeakPolarHBondContact O-CG2 3.44Å; N156-T160 PolarHBondContact O-N 3.32Å; N156-T160 PolarHBondContact O-OG1 3.47Å |
| 157 | I | 88.7 | Confident | 87.7 | Confident | 63 Ų | 63 | 83.8 Ų | 83.8 | 32% | 0.323 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 174.5 | -63.6 | 167.3 | 0 | 0 | 0 | 110.5 | L149 E153 L154 N159 T160 L161 | L149-I157 HydrophobicContact CD1-CD1 4.02Å; L149-I157 HydrophobicContact CD2-CD1 3.66Å; L149-I157 HydrophobicContact CG-CD1 4.49Å; E153-I157 WeakPolarHBondContact O-CG1 3.16Å; E153-I157 PolarHBondContact O-N 3.18Å; L154-I157 PolarHBondContact O-N 2.85Å; I157-N159 VanDerWaalsContact C-N 3.34Å; I157-N159 PolarHBondContact O-N 3.43Å; I157-T160 WeakPolarHBondContact CA-OG1 3.28Å; I157-T160 PolarHBondContact O-N 2.86Å; I157-T160 PolarHBondContact O-OG1 3.42Å; I157-L161 HydrophobicContact CG2-CD1 4.07Å; I157-L161 WeakPolarHBondContact O-CB 3.4Å; I157-L161 WeakPolarHBondContact O-CG 3.38Å; I157-L161 PolarHBondContact O-N 3.1Å |
| 158 | A | 92.3 | Very high | 88.3 | Confident | 55 Ų | 55 | 83.8 Ų | 83.8 | 46% | 0.455 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | L154 P155 L161 Q162 | L154-A158 PolarHBondContact O-N 3.14Å; P155-A158 PolarHBondContact O-N 3.15Å; A158-L161 PolarHBondContact O-N 2.83Å; A158-Q162 WeakPolarHBondContact O-CB 3.48Å; A158-Q162 PolarHBondContact O-N 3.47Å |
| 159 | N | 94.3 | Very high | 89.1 | Confident | 94 Ų | 94 | 89 Ų | 89 | 50% | 0.503 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.1 | -45.8 | 178.9 | -71.8 | -23.2 | 0 | 0 | 0 | 112.2 | P155 N156 I157 L161 Q162 E163 | P155-N159 WeakPolarHBondContact O-CB 3.48Å; P155-N159 PolarHBondContact O-N 2.93Å; P155-N159 PolarHBondContact O-ND2 3.31Å; N156-N159 PolarHBondContact O-N 3Å; I157-N159 VanDerWaalsContact C-N 3.34Å; I157-N159 PolarHBondContact O-N 3.43Å; N159-L161 VanDerWaalsContact C-N 3.34Å; N159-L161 PolarHBondContact O-N 2.94Å; N159-Q162 WeakPolarHBondContact O-CB 3.38Å; N159-Q162 PolarHBondContact O-N 3.35Å; N159-Q162 VanDerWaalsContact O-N 3.16Å; N159-E163 WeakPolarHBondContact O-CG 3.47Å; N159-E163 PolarHBondContact O-N 3.46Å |
| 160 | T | 92.3 | Very high | 90.1 | Very high | 80 Ų | 80 | 87.6 Ų | 87.6 | 49% | 0.491 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.4 | -39 | 178.6 | 49.6 | 0 | 0 | 0 | 0 | 112.4 | N156 I157 E163 W164 | N156-T160 WeakPolarHBondContact O-CG2 3.44Å; N156-T160 PolarHBondContact O-N 3.32Å; N156-T160 PolarHBondContact O-OG1 3.47Å; I157-T160 WeakPolarHBondContact CA-OG1 3.28Å; I157-T160 PolarHBondContact O-N 2.86Å; I157-T160 PolarHBondContact O-OG1 3.42Å; T160-E163 PolarHBondContact O-N 3.18Å; T160-W164 WeakPolarHBondContact O-CB 3.46Å; T160-W164 PolarHBondContact O-N 3.13Å |
| 161 | L | 94.2 | Very high | 91.4 | Very high | 93 Ų | 93 | 91.3 Ų | 91.3 | 49% | 0.487 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 172.5 | -71.7 | 173.5 | 0 | 0 | 0 | 111.7 | I157 A158 N159 W164 C165 | I157-L161 HydrophobicContact CG2-CD1 4.07Å; I157-L161 WeakPolarHBondContact O-CB 3.4Å; I157-L161 WeakPolarHBondContact O-CG 3.38Å; I157-L161 PolarHBondContact O-N 3.1Å; A158-L161 PolarHBondContact O-N 2.83Å; N159-L161 VanDerWaalsContact C-N 3.34Å; N159-L161 PolarHBondContact O-N 2.94Å; L161-W164 PolarHBondContact O-N 3.13Å; L161-C165 PolarHBondContact O-N 3.22Å; L161-C165 PolarHBondContact O-SG 3.07Å; L161-C165 VanDerWaalsContact O-SG 3.33Å |
| 162 | Q | 96.4 | Very high | 92.8 | Very high | 112 Ų | 112 | 90.7 Ų | 90.7 | 52% | 0.523 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 177.6 | -174 | 58.6 | 61.7 | 0 | 0 | 111.7 | A158 N159 W164 C165 S166 | A158-Q162 WeakPolarHBondContact O-CB 3.48Å; A158-Q162 PolarHBondContact O-N 3.47Å; N159-Q162 WeakPolarHBondContact O-CB 3.38Å; N159-Q162 PolarHBondContact O-N 3.35Å; N159-Q162 VanDerWaalsContact O-N 3.16Å; Q162-W164 VanDerWaalsContact C-N 3.3Å; Q162-W164 PolarHBondContact O-N 3.3Å; Q162-C165 PolarHBondContact O-N 3.26Å; Q162-S166 PolarHBondContact NE2-OG 2.81Å; Q162-S166 WeakPolarHBondContact O-CB 3.49Å; Q162-S166 PolarHBondContact O-N 2.91Å; Q162-S166 PolarHBondContact O-OG 2.97Å; Q162-S166 VanDerWaalsContact O-OG 3.14Å |
| 163 | E | 96.9 | Very high | 93.9 | Very high | 140 Ų | 140 | 87.2 Ų | 87.2 | 65% | 0.654 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59.4 | -42.2 | 174.3 | -76.1 | 176.3 | -173.1 | 0 | 0 | 111.5 | N159 T160 G167 | N159-E163 WeakPolarHBondContact O-CG 3.47Å; N159-E163 PolarHBondContact O-N 3.46Å; T160-E163 PolarHBondContact O-N 3.18Å; E163-G167 PolarHBondContact O-N 3.41Å |
| 164 | W | 96.7 | Very high | 94.8 | Very high | 179 Ų | 179 | 83.7 Ų | 83.7 | 68% | 0.678 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.7 | -45 | 177.1 | -177.2 | 49.7 | 0 | 0 | 0 | 112.5 | T160 L161 Q162 G167 C168 | T160-W164 WeakPolarHBondContact O-CB 3.46Å; T160-W164 PolarHBondContact O-N 3.13Å; L161-W164 PolarHBondContact O-N 3.13Å; Q162-W164 VanDerWaalsContact C-N 3.3Å; Q162-W164 PolarHBondContact O-N 3.3Å; W164-G167 PolarHBondContact O-N 3.37Å; W164-C168 PolarHBondContact O-N 3.36Å; W164-C168 PolarHBondContact O-SG 3.28Å |
| 165 | C | 96.7 | Very high | 95.3 | Very high | 58 Ų | 58 | 82.6 Ų | 82.6 | 39% | 0.392 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.4 | -50.6 | 174.3 | -72.7 | 0 | 0 | 0 | 0 | 111.4 | L161 Q162 G167 C168 E169 | L161-C165 PolarHBondContact O-N 3.22Å; L161-C165 PolarHBondContact O-SG 3.07Å; L161-C165 VanDerWaalsContact O-SG 3.33Å; Q162-C165 PolarHBondContact O-N 3.26Å; C165-G167 VanDerWaalsContact C-N 3.29Å; C165-G167 PolarHBondContact O-N 3.01Å; C165-C168 WeakPolarHBondContact O-CB 2.9Å; C165-C168 PolarHBondContact O-N 3.28Å; C165-C168 VanDerWaalsContact O-N 3.09Å; C165-E169 WeakPolarHBondContact O-CG 2.77Å; C165-E169 PolarHBondContact O-N 2.93Å |
| 166 | S | 97.4 | Very high | 95.7 | Very high | 53 Ų | 53 | 85.5 Ų | 85.5 | 37% | 0.371 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.1 | -35.4 | 178.5 | -65.1 | 0 | 0 | 0 | 0 | 112.4 | Q162 E169 A170 | Q162-S166 PolarHBondContact NE2-OG 2.81Å; Q162-S166 WeakPolarHBondContact O-CB 3.49Å; Q162-S166 PolarHBondContact O-N 2.91Å; Q162-S166 PolarHBondContact O-OG 2.97Å; Q162-S166 VanDerWaalsContact O-OG 3.14Å; S166-E169 PolarHBondContact O-N 2.68Å; S166-A170 WeakPolarHBondContact O-CB 3.33Å; S166-A170 PolarHBondContact O-N 2.79Å |
| 167 | G | 97.5 | Very high | 96.1 | Very high | 37 Ų | 37 | 87.2 Ų | 87.2 | 38% | 0.381 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E163 W164 C165 A170 V171 | E163-G167 PolarHBondContact O-N 3.41Å; W164-G167 PolarHBondContact O-N 3.37Å; C165-G167 VanDerWaalsContact C-N 3.29Å; C165-G167 PolarHBondContact O-N 3.01Å; G167-A170 PolarHBondContact O-N 3.09Å; G167-V171 WeakPolarHBondContact O-CG2 3.5Å; G167-V171 PolarHBondContact O-N 3.36Å; G167-V171 VanDerWaalsContact O-N 3.11Å |
| 168 | C | 97.6 | Very high | 96.5 | Very high | 54 Ų | 54 | 89.5 Ų | 89.5 | 37% | 0.365 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67 | -43.2 | 176.7 | -65.5 | 0 | 0 | 0 | 0 | 111.8 | W164 C165 A170 V171 L172 | W164-C168 PolarHBondContact O-N 3.36Å; W164-C168 PolarHBondContact O-SG 3.28Å; C165-C168 WeakPolarHBondContact O-CB 2.9Å; C165-C168 PolarHBondContact O-N 3.28Å; C165-C168 VanDerWaalsContact O-N 3.09Å; C168-A170 VanDerWaalsContact C-N 3.34Å; C168-A170 PolarHBondContact O-N 3Å; C168-V171 PolarHBondContact O-N 3.26Å; C168-L172 WeakPolarHBondContact O-CB 3.21Å; C168-L172 VanDerWaalsContact O-CG 3.3Å; C168-L172 WeakPolarHBondContact O-CG 3.46Å; C168-L172 PolarHBondContact O-N 3.03Å |
| 169 | E | 97.3 | Very high | 96.8 | Very high | 123 Ų | 123 | 90.6 Ų | 90.6 | 58% | 0.575 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.4 | -42.4 | 175.1 | -72.4 | 173.2 | 179.7 | 0 | 0 | 111.8 | C165 S166 V171 L172 C173 | C165-E169 WeakPolarHBondContact O-CG 2.77Å; C165-E169 PolarHBondContact O-N 2.93Å; S166-E169 PolarHBondContact O-N 2.68Å; E169-V171 PolarHBondContact O-N 3.28Å; E169-L172 PolarHBondContact O-N 3.11Å; E169-C173 VanDerWaalsContact O-CB 3.29Å; E169-C173 WeakPolarHBondContact O-CB 3.48Å; E169-C173 PolarHBondContact O-N 3.33Å |
| 170 | A | 97.3 | Very high | 96.9 | Very high | 65 Ų | 65 | 89.5 Ų | 89.5 | 54% | 0.537 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S166 G167 C168 G174 | S166-A170 WeakPolarHBondContact O-CB 3.33Å; S166-A170 PolarHBondContact O-N 2.79Å; G167-A170 PolarHBondContact O-N 3.09Å; C168-A170 VanDerWaalsContact C-N 3.34Å; C168-A170 PolarHBondContact O-N 3Å; A170-G174 PolarHBondContact O-N 3.34Å |
| 171 | V | 98.1 | Very high | 97.2 | Very high | 93 Ų | 93 | 93.8 Ų | 93.8 | 56% | 0.564 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.5 | -43.5 | 176 | 172.3 | 0 | 0 | 0 | 0 | 111 | G167 C168 E169 G174 I175 | G167-V171 WeakPolarHBondContact O-CG2 3.5Å; G167-V171 PolarHBondContact O-N 3.36Å; G167-V171 VanDerWaalsContact O-N 3.11Å; C168-V171 PolarHBondContact O-N 3.26Å; E169-V171 PolarHBondContact O-N 3.28Å; V171-G174 PolarHBondContact O-N 3.44Å; V171-I175 HydrophobicContact CG1-CD1 3.97Å; V171-I175 VanDerWaalsContact O-CG1 3.31Å; V171-I175 WeakPolarHBondContact O-CG1 3.41Å; V171-I175 PolarHBondContact O-N 3.4Å |
| 172 | L | 97.6 | Very high | 97.3 | Very high | 102 Ų | 102 | 92.1 Ų | 92.1 | 53% | 0.534 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -48 | 177.3 | -73 | 170.7 | 0 | 0 | 0 | 111.6 | C168 E169 G174 I175 E176 | C168-L172 WeakPolarHBondContact O-CB 3.21Å; C168-L172 VanDerWaalsContact O-CG 3.3Å; C168-L172 WeakPolarHBondContact O-CG 3.46Å; C168-L172 PolarHBondContact O-N 3.03Å; E169-L172 PolarHBondContact O-N 3.11Å; L172-G174 VanDerWaalsContact C-N 3.32Å; L172-G174 PolarHBondContact O-N 3.45Å; L172-I175 WeakPolarHBondContact O-CB 3.49Å; L172-I175 PolarHBondContact O-N 2.97Å; L172-I175 VanDerWaalsContact O-N 3.11Å; L172-E176 WeakPolarHBondContact O-CG 3.47Å; L172-E176 PolarHBondContact O-N 3.08Å |
| 173 | C | 97.1 | Very high | 97.4 | Very high | 59 Ų | 59 | 90.7 Ų | 90.7 | 40% | 0.399 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.3 | -44.9 | 175.6 | -173.4 | 0 | 0 | 0 | 0 | 111.2 | E169 I175 E176 E177 | E169-C173 VanDerWaalsContact O-CB 3.29Å; E169-C173 WeakPolarHBondContact O-CB 3.48Å; E169-C173 PolarHBondContact O-N 3.33Å; C173-I175 VanDerWaalsContact C-N 3.31Å; C173-I175 PolarHBondContact O-N 2.93Å; C173-E176 PolarHBondContact O-N 3.33Å; C173-E177 WeakPolarHBondContact O-CG 3.29Å; C173-E177 PolarHBondContact O-N 2.99Å |
| 174 | G | 97.6 | Very high | 97.3 | Very high | 28 Ų | 28 | 89.8 Ų | 89.8 | 29% | 0.289 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.9 | -40.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | A170 V171 L172 Q178 | A170-G174 PolarHBondContact O-N 3.34Å; V171-G174 PolarHBondContact O-N 3.44Å; L172-G174 VanDerWaalsContact C-N 3.32Å; L172-G174 PolarHBondContact O-N 3.45Å; G174-Q178 WeakPolarHBondContact O-CG 3.27Å; G174-Q178 PolarHBondContact O-N 3.44Å |
| 175 | I | 97.6 | Very high | 97.3 | Very high | 94 Ų | 94 | 88.6 Ų | 88.6 | 48% | 0.482 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.9 | -45.3 | 175.3 | -68.1 | 165.2 | 0 | 0 | 0 | 110.8 | V171 L172 C173 E177 Q178 V179 | V171-I175 HydrophobicContact CG1-CD1 3.97Å; V171-I175 VanDerWaalsContact O-CG1 3.31Å; V171-I175 WeakPolarHBondContact O-CG1 3.41Å; V171-I175 PolarHBondContact O-N 3.4Å; L172-I175 WeakPolarHBondContact O-CB 3.49Å; L172-I175 PolarHBondContact O-N 2.97Å; L172-I175 VanDerWaalsContact O-N 3.11Å; C173-I175 VanDerWaalsContact C-N 3.31Å; C173-I175 PolarHBondContact O-N 2.93Å; I175-E177 VanDerWaalsContact C-N 3.31Å; I175-E177 PolarHBondContact O-N 3.44Å; I175-Q178 PolarHBondContact O-N 3.42Å; I175-V179 HydrophobicContact CG2-CG2 4.4Å; I175-V179 WeakPolarHBondContact O-CG2 3.39Å; I175-V179 PolarHBondContact O-N 3Å |
| 176 | E | 97.5 | Very high | 97.3 | Very high | 128 Ų | 128 | 93 Ų | 93 | 60% | 0.598 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.5 | -40 | 178.2 | -71.2 | 175.9 | 179.5 | 0 | 0 | 112.3 | L172 C173 V179 T180 | L172-E176 WeakPolarHBondContact O-CG 3.47Å; L172-E176 PolarHBondContact O-N 3.08Å; C173-E176 PolarHBondContact O-N 3.33Å; E176-V179 PolarHBondContact O-N 2.81Å; E176-T180 WeakPolarHBondContact O-CB 3.37Å; E176-T180 PolarHBondContact O-N 2.58Å; E176-T180 PolarHBondContact O-OG1 3.29Å |
| 177 | E | 97.4 | Very high | 97.3 | Very high | 122 Ų | 122 | 94.9 Ų | 94.9 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.6 | -45.4 | 173.2 | -75 | -176.6 | 176.7 | 0 | 0 | 111.8 | C173 I175 V179 T180 R181 | C173-E177 WeakPolarHBondContact O-CG 3.29Å; C173-E177 PolarHBondContact O-N 2.99Å; I175-E177 VanDerWaalsContact C-N 3.31Å; I175-E177 PolarHBondContact O-N 3.44Å; E177-V179 VanDerWaalsContact C-N 3.33Å; E177-V179 PolarHBondContact O-N 3.02Å; E177-T180 PolarHBondContact O-N 2.89Å; E177-R181 WeakPolarHBondContact O-CB 3.36Å; E177-R181 PolarHBondContact O-N 2.93Å |
| 178 | Q | 97.1 | Very high | 97.2 | Very high | 110 Ų | 110 | 96 Ų | 96 | 51% | 0.514 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.7 | -38.8 | 177.2 | -67.1 | -47.2 | -37.4 | 0 | 0 | 112.1 | G174 I175 R181 A182 | G174-Q178 WeakPolarHBondContact O-CG 3.27Å; G174-Q178 PolarHBondContact O-N 3.44Å; I175-Q178 PolarHBondContact O-N 3.42Å; Q178-R181 PolarHBondContact O-N 3.06Å; Q178-A182 WeakPolarHBondContact O-CB 3.19Å; Q178-A182 PolarHBondContact O-N 3.28Å |
| 179 | V | 97.7 | Very high | 97 | Very high | 78 Ų | 78 | 97.6 Ų | 97.6 | 47% | 0.473 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 174.4 | 169.8 | 0 | 0 | 0 | 0 | 110.4 | I175 E176 E177 A182 N183 | I175-V179 HydrophobicContact CG2-CG2 4.4Å; I175-V179 WeakPolarHBondContact O-CG2 3.39Å; I175-V179 PolarHBondContact O-N 3Å; E176-V179 PolarHBondContact O-N 2.81Å; E177-V179 VanDerWaalsContact C-N 3.33Å; E177-V179 PolarHBondContact O-N 3.02Å; V179-A182 PolarHBondContact O-N 3.48Å; V179-N183 WeakPolarHBondContact O-CB 3.48Å; V179-N183 PolarHBondContact O-N 3.5Å; V179-N183 PolarHBondContact O-ND2 2.97Å |
| 180 | T | 97.4 | Very high | 96.9 | Very high | 72 Ų | 72 | 96.3 Ų | 96.3 | 44% | 0.442 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.2 | -45.9 | 178.4 | -60.2 | 0 | 0 | 0 | 0 | 111.2 | E176 E177 A182 N183 Q184 | E176-T180 WeakPolarHBondContact O-CB 3.37Å; E176-T180 PolarHBondContact O-N 2.58Å; E176-T180 PolarHBondContact O-OG1 3.29Å; E177-T180 PolarHBondContact O-N 2.89Å; T180-A182 PolarHBondContact O-N 2.77Å; T180-N183 PolarHBondContact O-N 2.7Å; T180-Q184 HydrophobicContact CG2-CG 4.45Å; T180-Q184 WeakPolarHBondContact O-CB 3.37Å; T180-Q184 VanDerWaalsContact O-CG 3.32Å; T180-Q184 WeakPolarHBondContact O-CG 3.36Å; T180-Q184 PolarHBondContact O-N 3.16Å |
| 181 | R | 97.4 | Very high | 96.9 | Very high | 169 Ų | 169 | 99.2 Ų | 99.2 | 64% | 0.638 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.5 | -45.2 | 177.2 | -173.5 | 179.9 | -175.2 | 176.1 | 3.4 | 112.1 | E177 Q178 N183 Q184 Y185 | E177-R181 WeakPolarHBondContact O-CB 3.36Å; E177-R181 PolarHBondContact O-N 2.93Å; Q178-R181 PolarHBondContact O-N 3.06Å; R181-N183 VanDerWaalsContact C-N 3.34Å; R181-N183 PolarHBondContact O-N 3.1Å; R181-Q184 PolarHBondContact O-N 3.5Å; R181-Y185 WeakPolarHBondContact O-CB 3.42Å; R181-Y185 PolarHBondContact O-N 3.24Å |
| 182 | A | 97.5 | Very high | 96.8 | Very high | 58 Ų | 58 | 98.1 Ų | 98.1 | 48% | 0.479 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q178 V179 T180 Y185 R186 | Q178-A182 WeakPolarHBondContact O-CB 3.19Å; Q178-A182 PolarHBondContact O-N 3.28Å; V179-A182 PolarHBondContact O-N 3.48Å; T180-A182 PolarHBondContact O-N 2.77Å; A182-Y185 PolarHBondContact O-N 2.91Å; A182-R186 WeakPolarHBondContact O-CB 3.32Å; A182-R186 PolarHBondContact O-N 2.92Å |
| 183 | N | 97.1 | Very high | 96.6 | Very high | 83 Ų | 83 | 99.2 Ų | 99.2 | 44% | 0.444 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.2 | -45.4 | 176.7 | -77.4 | -33.3 | 0 | 0 | 0 | 112.4 | V179 T180 R181 R186 E187 | V179-N183 WeakPolarHBondContact O-CB 3.48Å; V179-N183 PolarHBondContact O-N 3.5Å; V179-N183 PolarHBondContact O-ND2 2.97Å; T180-N183 PolarHBondContact O-N 2.7Å; R181-N183 VanDerWaalsContact C-N 3.34Å; R181-N183 PolarHBondContact O-N 3.1Å; N183-R186 PolarHBondContact O-N 3.26Å; N183-E187 WeakPolarHBondContact O-CB 3.38Å; N183-E187 PolarHBondContact O-N 2.98Å |
| 184 | Q | 96.6 | Very high | 96.6 | Very high | 120 Ų | 120 | 100 Ų | 100 | 56% | 0.561 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.2 | -42.8 | 176.1 | -72.8 | 174.6 | 1.8 | 0 | 0 | 111.8 | T180 R181 E187 S188 | T180-Q184 HydrophobicContact CG2-CG 4.45Å; T180-Q184 WeakPolarHBondContact O-CB 3.37Å; T180-Q184 VanDerWaalsContact O-CG 3.32Å; T180-Q184 WeakPolarHBondContact O-CG 3.36Å; T180-Q184 PolarHBondContact O-N 3.16Å; R181-Q184 PolarHBondContact O-N 3.5Å; Q184-E187 PolarHBondContact O-N 3.15Å; Q184-S188 WeakPolarHBondContact O-CB 3.24Å; Q184-S188 PolarHBondContact O-N 3.26Å |
| 185 | Y | 96.4 | Very high | 96.4 | Very high | 154 Ų | 154 | 104.6 Ų | 104.6 | 60% | 0.604 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.1 | -47.4 | 175.6 | -178.4 | -101.1 | 0 | 0 | 0 | 111.2 | R181 A182 E187 S188 Q189 | R181-Y185 WeakPolarHBondContact O-CB 3.42Å; R181-Y185 PolarHBondContact O-N 3.24Å; A182-Y185 PolarHBondContact O-N 2.91Å; Y185-E187 VanDerWaalsContact C-N 3.31Å; Y185-E187 PolarHBondContact O-N 2.88Å; Y185-S188 PolarHBondContact O-N 2.79Å; Y185-Q189 HydrophobicContact CD1-CG 4.12Å; Y185-Q189 HydrophobicContact CE1-CG 3.73Å; Y185-Q189 HydrophobicContact CE2-CG 4.16Å; Y185-Q189 HydrophobicContact CG-CG 4.49Å; Y185-Q189 VanDerWaalsContact O-CG 3.32Å; Y185-Q189 WeakPolarHBondContact O-CG 3.35Å; Y185-Q189 PolarHBondContact O-N 2.93Å; Y185-Q189 PolarHBondContact OH-NE2 3.2Å |
| 186 | R | 96.8 | Very high | 96.3 | Very high | 150 Ų | 150 | 104.2 Ų | 104.2 | 57% | 0.566 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -57.7 | -43.2 | 175.9 | -172.9 | -172.4 | 67.6 | 77.4 | 2 | 111.8 | A182 N183 L190 | A182-R186 WeakPolarHBondContact O-CB 3.32Å; A182-R186 PolarHBondContact O-N 2.92Å; N183-R186 PolarHBondContact O-N 3.26Å; R186-L190 WeakPolarHBondContact O-CB 3.33Å; R186-L190 PolarHBondContact O-N 2.99Å |
| 187 | E | 96.3 | Very high | 96.1 | Very high | 93 Ų | 93 | 103.1 Ų | 103.1 | 44% | 0.435 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67 | -41.8 | 179 | -164.6 | -171.1 | 151.1 | 0 | 0 | 112.1 | N183 Q184 Y185 L190 K191 | N183-E187 WeakPolarHBondContact O-CB 3.38Å; N183-E187 PolarHBondContact O-N 2.98Å; Q184-E187 PolarHBondContact O-N 3.15Å; Y185-E187 VanDerWaalsContact C-N 3.31Å; Y185-E187 PolarHBondContact O-N 2.88Å; E187-L190 WeakPolarHBondContact O-CB 3.33Å; E187-L190 PolarHBondContact O-N 2.97Å; E187-K191 WeakPolarHBondContact O-CG 3.19Å; E187-K191 PolarHBondContact O-N 3.39Å; E187-K191 WeakPolarHBondContact OE1-CE 3.42Å; E187-K191 IonicContact OE1-NZ 2.75Å; E187-K191 PolarHBondContact OE1-NZ 3.38Å |
| 188 | S | 95.7 | Very high | 96 | Very high | 61 Ų | 61 | 100.5 Ų | 100.5 | 43% | 0.427 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.5 | -46.7 | 174.8 | 179.1 | 0 | 0 | 0 | 0 | 111.5 | Q184 Y185 L190 K191 V192 | Q184-S188 WeakPolarHBondContact O-CB 3.24Å; Q184-S188 PolarHBondContact O-N 3.26Å; Y185-S188 PolarHBondContact O-N 2.79Å; S188-L190 VanDerWaalsContact C-N 3.3Å; S188-L190 PolarHBondContact O-N 3.1Å; S188-K191 WeakPolarHBondContact O-CB 3.46Å; S188-K191 PolarHBondContact O-N 3.24Å; S188-V192 WeakPolarHBondContact O-CG2 3.49Å; S188-V192 PolarHBondContact O-N 2.99Å |
| 189 | Q | 94.4 | Very high | 95.8 | Very high | 87 Ų | 87 | 100.1 Ų | 100.1 | 41% | 0.407 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.6 | -39 | 176.2 | -69.4 | -59.1 | -32.9 | 0 | 0 | 112 | Y185 V192 K193 | Y185-Q189 HydrophobicContact CD1-CG 4.12Å; Y185-Q189 HydrophobicContact CE1-CG 3.73Å; Y185-Q189 HydrophobicContact CE2-CG 4.16Å; Y185-Q189 HydrophobicContact CG-CG 4.49Å; Y185-Q189 VanDerWaalsContact O-CG 3.32Å; Y185-Q189 WeakPolarHBondContact O-CG 3.35Å; Y185-Q189 PolarHBondContact O-N 2.93Å; Y185-Q189 PolarHBondContact OH-NE2 3.2Å; Q189-V192 PolarHBondContact O-N 3.19Å; Q189-K193 WeakPolarHBondContact O-CB 3.49Å; Q189-K193 PolarHBondContact O-N 3.03Å |
| 190 | L | 95.5 | Very high | 95.6 | Very high | 96 Ų | 96 | 99.8 Ų | 99.8 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 174.8 | -163.8 | 87.8 | 0 | 0 | 0 | 111.4 | R186 E187 S188 K193 V194 | R186-L190 WeakPolarHBondContact O-CB 3.33Å; R186-L190 PolarHBondContact O-N 2.99Å; E187-L190 WeakPolarHBondContact O-CB 3.33Å; E187-L190 PolarHBondContact O-N 2.97Å; S188-L190 VanDerWaalsContact C-N 3.3Å; S188-L190 PolarHBondContact O-N 3.1Å; L190-K193 PolarHBondContact O-N 3.37Å; L190-V194 WeakPolarHBondContact O-CG2 3.21Å; L190-V194 PolarHBondContact O-N 3.1Å |
| 191 | K | 95.8 | Very high | 95.3 | Very high | 126 Ų | 126 | 98.6 Ų | 98.6 | 55% | 0.548 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.9 | -47.3 | 177.4 | -73.5 | 171.4 | -176.2 | 167.4 | 0 | 111.6 | E187 S188 K193 V194 Q195 | E187-K191 WeakPolarHBondContact O-CG 3.19Å; E187-K191 PolarHBondContact O-N 3.39Å; E187-K191 WeakPolarHBondContact OE1-CE 3.42Å; E187-K191 IonicContact OE1-NZ 2.75Å; E187-K191 PolarHBondContact OE1-NZ 3.38Å; S188-K191 WeakPolarHBondContact O-CB 3.46Å; S188-K191 PolarHBondContact O-N 3.24Å; K191-K193 VanDerWaalsContact C-N 3.34Å; K191-K193 PolarHBondContact O-N 3.25Å; K191-V194 PolarHBondContact O-N 2.86Å; K191-Q195 WeakPolarHBondContact O-CB 3.18Å; K191-Q195 PolarHBondContact O-N 2.91Å |
| 192 | V | 95.6 | Very high | 95 | Very high | 70 Ų | 70 | 93.8 Ų | 93.8 | 42% | 0.424 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.6 | -46.4 | 177.1 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | S188 Q189 V194 Q195 V196 | S188-V192 WeakPolarHBondContact O-CG2 3.49Å; S188-V192 PolarHBondContact O-N 2.99Å; Q189-V192 PolarHBondContact O-N 3.19Å; V192-V194 PolarHBondContact O-N 2.92Å; V192-Q195 PolarHBondContact O-N 2.97Å; V192-V196 HydrophobicContact CG1-CG2 4.48Å; V192-V196 WeakPolarHBondContact O-CG2 3.3Å; V192-V196 PolarHBondContact O-N 3.46Å |
| 193 | K | 94.9 | Very high | 94.7 | Very high | 126 Ų | 126 | 96.2 Ų | 96.2 | 55% | 0.548 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.7 | -48.8 | 177.8 | -178.2 | 179.1 | 170.2 | -179 | 0 | 112 | Q189 L190 K191 Q195 V196 E197 | Q189-K193 WeakPolarHBondContact O-CB 3.49Å; Q189-K193 PolarHBondContact O-N 3.03Å; L190-K193 PolarHBondContact O-N 3.37Å; K191-K193 VanDerWaalsContact C-N 3.34Å; K191-K193 PolarHBondContact O-N 3.25Å; K193-Q195 VanDerWaalsContact C-N 3.3Å; K193-Q195 PolarHBondContact O-N 3.27Å; K193-V196 PolarHBondContact O-N 2.94Å; K193-E197 WeakPolarHBondContact CE-OE1 3.31Å; K193-E197 IonicContact NZ-OE1 3.88Å; K193-E197 WeakPolarHBondContact O-CG 3.4Å; K193-E197 PolarHBondContact O-N 2.86Å |
| 194 | V | 95.8 | Very high | 94.3 | Very high | 76 Ų | 76 | 97.5 Ų | 97.5 | 46% | 0.461 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62 | -39.3 | 178.5 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | L190 K191 V192 E197 T198 | L190-V194 WeakPolarHBondContact O-CG2 3.21Å; L190-V194 PolarHBondContact O-N 3.1Å; K191-V194 PolarHBondContact O-N 2.86Å; V192-V194 PolarHBondContact O-N 2.92Å; V194-E197 PolarHBondContact O-N 3.33Å; V194-T198 WeakPolarHBondContact O-CB 3.35Å; V194-T198 PolarHBondContact O-N 3.11Å; V194-T198 PolarHBondContact O-OG1 3.07Å |
| 195 | Q | 94.8 | Very high | 93.9 | Very high | 124 Ų | 124 | 98 Ų | 98 | 58% | 0.579 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.8 | -48.3 | 177.6 | -168 | 171 | 18.6 | 0 | 0 | 111.1 | K191 V192 K193 E197 T198 E199 | K191-Q195 WeakPolarHBondContact O-CB 3.18Å; K191-Q195 PolarHBondContact O-N 2.91Å; V192-Q195 PolarHBondContact O-N 2.97Å; K193-Q195 VanDerWaalsContact C-N 3.3Å; K193-Q195 PolarHBondContact O-N 3.27Å; Q195-E197 PolarHBondContact O-N 3.45Å; Q195-T198 PolarHBondContact O-N 3.23Å; Q195-T198 VanDerWaalsContact O-N 3.17Å; Q195-E199 WeakPolarHBondContact O-CG 3.44Å; Q195-E199 PolarHBondContact O-N 3.43Å |
| 196 | V | 94.8 | Very high | 93.4 | Very high | 85 Ų | 85 | 94.8 Ų | 94.8 | 52% | 0.515 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.3 | -45.5 | 175.7 | 173 | 0 | 0 | 0 | 0 | 111.4 | V192 K193 T198 E199 V200 | V192-V196 HydrophobicContact CG1-CG2 4.48Å; V192-V196 WeakPolarHBondContact O-CG2 3.3Å; V192-V196 PolarHBondContact O-N 3.46Å; K193-V196 PolarHBondContact O-N 2.94Å; V196-T198 VanDerWaalsContact C-N 3.28Å; V196-T198 PolarHBondContact O-N 3.13Å; V196-E199 PolarHBondContact O-N 3.44Å; V196-V200 HydrophobicContact CG1-CG2 4.36Å; V196-V200 WeakPolarHBondContact O-CB 3.45Å; V196-V200 VanDerWaalsContact O-CG2 3.26Å; V196-V200 WeakPolarHBondContact O-CG2 3.45Å; V196-V200 PolarHBondContact O-N 3.07Å |
| 197 | E | 93.9 | Very high | 92.6 | Very high | 105 Ų | 105 | 93.7 Ų | 93.7 | 49% | 0.491 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.3 | -37.9 | 176.9 | -74.6 | 174.5 | 175.2 | 0 | 0 | 112.2 | K193 V194 Q195 S201 | K193-E197 WeakPolarHBondContact CE-OE1 3.31Å; K193-E197 IonicContact NZ-OE1 3.88Å; K193-E197 WeakPolarHBondContact O-CG 3.4Å; K193-E197 PolarHBondContact O-N 2.86Å; V194-E197 PolarHBondContact O-N 3.33Å; Q195-E197 PolarHBondContact O-N 3.45Å; E197-S201 WeakPolarHBondContact O-CB 3.44Å; E197-S201 PolarHBondContact O-N 3.25Å |
| 198 | T | 94 | Very high | 91.9 | Very high | 67 Ų | 67 | 96.6 Ų | 96.6 | 41% | 0.411 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.5 | -45.5 | 177.9 | -55.5 | 0 | 0 | 0 | 0 | 111.6 | V194 Q195 V196 V200 S201 N202 | V194-T198 WeakPolarHBondContact O-CB 3.35Å; V194-T198 PolarHBondContact O-N 3.11Å; V194-T198 PolarHBondContact O-OG1 3.07Å; Q195-T198 PolarHBondContact O-N 3.23Å; Q195-T198 VanDerWaalsContact O-N 3.17Å; V196-T198 VanDerWaalsContact C-N 3.28Å; V196-T198 PolarHBondContact O-N 3.13Å; T198-V200 PolarHBondContact O-N 3.07Å; T198-S201 WeakPolarHBondContact O-CB 3.31Å; T198-S201 PolarHBondContact O-N 3.21Å; T198-N202 VanDerWaalsContact O-CG 3.27Å; T198-N202 PolarHBondContact O-N 3.15Å; T198-N202 PolarHBondContact O-ND2 3.3Å |
| 199 | E | 93.5 | Very high | 90.9 | Very high | 103 Ų | 103 | 96.9 Ų | 96.9 | 48% | 0.481 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 175.8 | -68.4 | -55.6 | 136.3 | 0 | 0 | 111.5 | Q195 V196 S201 N202 L203 | Q195-E199 WeakPolarHBondContact O-CG 3.44Å; Q195-E199 PolarHBondContact O-N 3.43Å; V196-E199 PolarHBondContact O-N 3.44Å; E199-S201 VanDerWaalsContact C-N 3.34Å; E199-S201 PolarHBondContact O-N 3.12Å; E199-N202 PolarHBondContact O-N 3.02Å; E199-L203 WeakPolarHBondContact O-CB 3.46Å; E199-L203 WeakPolarHBondContact O-CG 3.19Å; E199-L203 PolarHBondContact O-N 3.42Å |
| 200 | V | 93 | Very high | 89.6 | Confident | 70 Ų | 70 | 97.2 Ų | 97.2 | 42% | 0.424 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 175.1 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | V196 T198 L203 Q204 | V196-V200 HydrophobicContact CG1-CG2 4.36Å; V196-V200 WeakPolarHBondContact O-CB 3.45Å; V196-V200 VanDerWaalsContact O-CG2 3.26Å; V196-V200 WeakPolarHBondContact O-CG2 3.45Å; V196-V200 PolarHBondContact O-N 3.07Å; T198-V200 PolarHBondContact O-N 3.07Å; V200-L203 PolarHBondContact O-N 3.31Å; V200-Q204 WeakPolarHBondContact O-CG 3.39Å; V200-Q204 PolarHBondContact O-N 3.29Å |
| 201 | S | 92 | Very high | 88 | Confident | 47 Ų | 47 | 97.2 Ų | 97.2 | 33% | 0.329 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 176.7 | -172.9 | 0 | 0 | 0 | 0 | 112.4 | E197 T198 E199 Q204 K205 | E197-S201 WeakPolarHBondContact O-CB 3.44Å; E197-S201 PolarHBondContact O-N 3.25Å; T198-S201 WeakPolarHBondContact O-CB 3.31Å; T198-S201 PolarHBondContact O-N 3.21Å; E199-S201 VanDerWaalsContact C-N 3.34Å; E199-S201 PolarHBondContact O-N 3.12Å; S201-Q204 PolarHBondContact O-N 3.48Å; S201-K205 WeakPolarHBondContact O-CG 3.48Å; S201-K205 PolarHBondContact O-N 3.21Å; S201-K205 VanDerWaalsContact O-N 3.09Å |
| 202 | N | 91 | Very high | 86 | Confident | 68 Ų | 68 | 94.9 Ų | 94.9 | 36% | 0.364 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.1 | -45.4 | 177.6 | -70.7 | -21.3 | 0 | 0 | 0 | 111.6 | T198 E199 Q204 K205 T206 | T198-N202 VanDerWaalsContact O-CG 3.27Å; T198-N202 PolarHBondContact O-N 3.15Å; T198-N202 PolarHBondContact O-ND2 3.3Å; E199-N202 PolarHBondContact O-N 3.02Å; N202-Q204 VanDerWaalsContact C-N 3.35Å; N202-Q204 PolarHBondContact O-N 3.35Å; N202-K205 PolarHBondContact O-N 2.97Å; N202-K205 VanDerWaalsContact O-N 3.17Å; N202-T206 PolarHBondContact O-N 3.46Å; N202-T206 PolarHBondContact O-OG1 3.03Å |
| 203 | L | 91 | Very high | 83.4 | Confident | 109 Ų | 109 | 96.4 Ų | 96.4 | 57% | 0.571 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.8 | -43.1 | 175.2 | -72.5 | 171.7 | 0 | 0 | 0 | 112 | E199 V200 K205 T206 L207 | E199-L203 WeakPolarHBondContact O-CB 3.46Å; E199-L203 WeakPolarHBondContact O-CG 3.19Å; E199-L203 PolarHBondContact O-N 3.42Å; V200-L203 PolarHBondContact O-N 3.31Å; L203-K205 VanDerWaalsContact C-N 3.32Å; L203-K205 PolarHBondContact O-N 3.18Å; L203-T206 PolarHBondContact O-N 3.2Å; L203-L207 WeakPolarHBondContact O-CB 3.28Å; L203-L207 WeakPolarHBondContact O-CG 3.48Å; L203-L207 PolarHBondContact O-N 3.32Å |
| 204 | Q | 88.6 | Confident | 81.4 | Confident | 111 Ų | 111 | 96.5 Ų | 96.5 | 52% | 0.519 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.6 | -39.2 | 175.2 | -76.4 | -178.6 | 8.2 | 0 | 0 | 112.6 | V200 S201 N202 K208 | V200-Q204 WeakPolarHBondContact O-CG 3.39Å; V200-Q204 PolarHBondContact O-N 3.29Å; S201-Q204 PolarHBondContact O-N 3.48Å; N202-Q204 VanDerWaalsContact C-N 3.35Å; N202-Q204 PolarHBondContact O-N 3.35Å; Q204-K208 WeakPolarHBondContact O-CG 3.46Å; Q204-K208 PolarHBondContact O-N 3.16Å; Q204-K208 VanDerWaalsContact O-N 3.1Å |
| 205 | K | 89.3 | Confident | 78.8 | Confident | 129 Ų | 129 | 98.7 Ų | 98.7 | 56% | 0.561 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.5 | -44.7 | 176.7 | -72.2 | 171.3 | -172.8 | 169 | 0 | 111.7 | S201 N202 L203 K208 A209 | S201-K205 WeakPolarHBondContact O-CG 3.48Å; S201-K205 PolarHBondContact O-N 3.21Å; S201-K205 VanDerWaalsContact O-N 3.09Å; N202-K205 PolarHBondContact O-N 2.97Å; N202-K205 VanDerWaalsContact O-N 3.17Å; L203-K205 VanDerWaalsContact C-N 3.32Å; L203-K205 PolarHBondContact O-N 3.18Å; K205-K208 PolarHBondContact O-N 3.36Å; K205-A209 WeakPolarHBondContact O-CB 3.43Å; K205-A209 PolarHBondContact O-N 2.99Å |
| 206 | T | 85.4 | Confident | 76.2 | Confident | 87 Ų | 87 | 98.7 Ų | 98.7 | 53% | 0.534 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.2 | -44.9 | 177.6 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | N202 L203 K208 A209 S210 | N202-T206 PolarHBondContact O-N 3.46Å; N202-T206 PolarHBondContact O-OG1 3.03Å; L203-T206 PolarHBondContact O-N 3.2Å; T206-K208 VanDerWaalsContact C-N 3.35Å; T206-K208 PolarHBondContact O-N 3.25Å; T206-A209 PolarHBondContact O-N 3.23Å; T206-S210 PolarHBondContact O-N 3.05Å; T206-S210 PolarHBondContact O-OG 3.32Å |
| 207 | L | 79.7 | Confident | 73.4 | Confident | 128 Ų | 128 | 98 Ų | 98 | 67% | 0.67 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -58.6 | -44.1 | 175.1 | -79 | 163.9 | 0 | 0 | 0 | 112.1 | L203 S210 S211 | L203-L207 WeakPolarHBondContact O-CB 3.28Å; L203-L207 WeakPolarHBondContact O-CG 3.48Å; L203-L207 PolarHBondContact O-N 3.32Å; L207-S210 PolarHBondContact O-N 2.92Å; L207-S211 PolarHBondContact O-N 2.78Å; L207-S211 VanDerWaalsContact O-N 3.11Å; L207-S211 PolarHBondContact O-OG 3.34Å |
| 208 | K | 81.3 | Confident | 71.4 | Confident | 154 Ų | 154 | 99.6 Ų | 99.6 | 67% | 0.67 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64 | -41 | 175.5 | -78.3 | 179.5 | 178.6 | 178.1 | 0 | 112.6 | Q204 K205 T206 S211 A212 | Q204-K208 WeakPolarHBondContact O-CG 3.46Å; Q204-K208 PolarHBondContact O-N 3.16Å; Q204-K208 VanDerWaalsContact O-N 3.1Å; K205-K208 PolarHBondContact O-N 3.36Å; T206-K208 VanDerWaalsContact C-N 3.35Å; T206-K208 PolarHBondContact O-N 3.25Å; K208-S211 WeakPolarHBondContact CA-OG 3.35Å; K208-S211 PolarHBondContact O-N 3.23Å; K208-S211 PolarHBondContact O-OG 3.4Å; K208-A212 PolarHBondContact O-N 3.24Å |
| 209 | A | 75.4 | Confident | 68.7 | Low | 67 Ų | 67 | 101.1 Ų | 101.1 | 55% | 0.554 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.9 | -40.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K205 T206 S211 A212 | K205-A209 WeakPolarHBondContact O-CB 3.43Å; K205-A209 PolarHBondContact O-N 2.99Å; T206-A209 PolarHBondContact O-N 3.23Å; A209-S211 VanDerWaalsContact C-N 3.28Å; A209-S211 PolarHBondContact O-N 3.39Å; A209-A212 PolarHBondContact O-N 2.77Å |
| 210 | S | 66.6 | Low | 65.8 | Low | 93 Ų | 93 | 101.3 Ų | 101.3 | 65% | 0.65 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -68.5 | -25 | 175.4 | -63.1 | 0 | 0 | 0 | 0 | 113.3 | T206 L207 A212 | T206-S210 PolarHBondContact O-N 3.05Å; T206-S210 PolarHBondContact O-OG 3.32Å; L207-S210 PolarHBondContact O-N 2.92Å; S210-A212 VanDerWaalsContact C-N 3.3Å |
| 211 | S | 61 | Low | 63.2 | Low | 96 Ų | 96 | 103 Ų | 103 | 67% | 0.671 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -6 | 173.6 | 69.1 | 0 | 0 | 0 | 0 | 114.8 | L207 K208 A209 | L207-S211 PolarHBondContact O-N 2.78Å; L207-S211 VanDerWaalsContact O-N 3.11Å; L207-S211 PolarHBondContact O-OG 3.34Å; K208-S211 WeakPolarHBondContact CA-OG 3.35Å; K208-S211 PolarHBondContact O-N 3.23Å; K208-S211 PolarHBondContact O-OG 3.4Å; A209-S211 VanDerWaalsContact C-N 3.28Å; A209-S211 PolarHBondContact O-N 3.39Å |
| 212 | A | 54.3 | Low | 60.3 | Low | 77 Ų | 77 | 104.5 Ų | 104.5 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | 6.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | K208 A209 S210 | K208-A212 PolarHBondContact O-N 3.24Å; A209-A212 PolarHBondContact O-N 2.77Å; S210-A212 VanDerWaalsContact C-N 3.3Å |
| 213 | S | 41.7 | Very low | 57.8 | Low | 102 Ų | 102 | 106.4 Ų | 106.4 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | trans | -83.8 | 125.4 | 168.9 | -70.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 214 | P | 53 | Low | 55 | Low | 129 Ų | 129 | 106.1 Ų | 106.1 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | trans | -88.7 | 132 | -173.3 | 33.2 | -30.9 | 0 | 0 | 0 | 112 | ||||
| 215 | S | 39.7 | Very low | 52.7 | Low | 122 Ų | 122 | 105.7 Ų | 105.7 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | trans | -119.3 | 119 | 154.1 | 60.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 216 | S | 41 | Very low | 50.1 | Low | 123 Ų | 123 | 107.1 Ų | 107.1 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | trans | -75.4 | 135.3 | 173.5 | 43.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 217 | G | 36.1 | Very low | 48 | Very low | 70 Ų | 70 | 111.8 Ų | 111.8 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | -70.8 | -158.5 | -169.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 218 | P | 52.2 | Low | 45.7 | Very low | 139 Ų | 139 | 112.9 Ų | 112.9 | 90% | 0.903 | 78% | 0.783 | S | S | * | * | -143.4 | -178 | 57.2 | 38.2 | -17 | 0 | 0 | 0 | 117.4 | |||||
| 219 | A | 37.3 | Very low | 43.6 | Very low | 100 Ų | 100 | 109.7 Ų | 109.7 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | trans | -64.5 | 155.5 | -166.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 220 | A | 32.3 | Very low | 41.5 | Very low | 106 Ų | 106 | 113.6 Ų | 113.6 | 88% | 0.876 | 80% | 0.796 | S | S | * | * | trans | -167.4 | 148.2 | 135.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 221 | A | 37.6 | Very low | 40 | Very low | 107 Ų | 107 | 117 Ų | 117 | 88% | 0.884 | 80% | 0.802 | S | S | * | * | trans | -68.8 | 156.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 222 | G | 31.4 | Very low | 38.8 | Very low | 78 Ų | 78 | 118.7 Ų | 118.7 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | 177.2 | 104.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 223 | A | 38.2 | Very low | 37.8 | Very low | 108 Ų | 108 | 119.2 Ų | 119.2 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | trans | -69.1 | 141.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 224 | A | 33.3 | Very low | 37.6 | Very low | 103 Ų | 103 | 123.3 Ų | 123.3 | 85% | 0.851 | 82% | 0.823 | S | S | * | * | trans | -167.9 | 133.2 | 141 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 225 | S | 38.9 | Very low | 37 | Very low | 102 Ų | 102 | 123.1 Ų | 123.1 | 71% | 0.713 | 82% | 0.822 | S | S | * | * | trans | -58.4 | 146.5 | 178 | -50.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 226 | N | 36.5 | Very low | 36.9 | Very low | 158 Ų | 158 | 128.7 Ų | 128.7 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | 170.3 | 117.3 | 107.3 | -81.2 | -21.4 | 0 | 0 | 0 | 112.2 | |||||
| 227 | Q | 39.8 | Very low | 36.4 | Very low | 186 Ų | 186 | 130.6 Ų | 130.6 | 87% | 0.869 | 83% | 0.825 | S | S | * | * | trans | -52.3 | 158 | 149.6 | -77.9 | 169.3 | 25.5 | 0 | 0 | 110.5 | ||||
| 228 | D | 32.8 | Very low | 36.6 | Very low | 151 Ų | 151 | 132.5 Ų | 132.5 | 81% | 0.807 | 82% | 0.824 | S | S | * | * | cis | -174.1 | 176.4 | -1.9 | -160.3 | -82.1 | 0 | 0 | 0 | 106.4 | ||||
| 229 | A | 35.4 | Very low | 35.5 | Very low | 86 Ų | 86 | 130.6 Ų | 130.6 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | trans | 76.9 | 103.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 230 | D | 32.3 | Very low | 35.2 | Very low | 149 Ų | 149 | 131 Ų | 131 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | 82.2 | 105.4 | 58.5 | -163.2 | 50.2 | 0 | 0 | 0 | 114.1 | |||||
| 231 | Q | 34.3 | Very low | 35.1 | Very low | 164 Ų | 164 | 131.6 Ų | 131.6 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | trans | 166.4 | 139.1 | 140.8 | -94.2 | -178.9 | 58.3 | 0 | 0 | 110 | ||||
| 232 | P | 36.1 | Very low | 34.9 | Very low | 132 Ų | 132 | 135.5 Ų | 135.5 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | -139.9 | 153.2 | 93.5 | 28.4 | -9.2 | 0 | 0 | 0 | 115.4 | |||||
| 233 | A | 33.8 | Very low | 35 | Very low | 88 Ų | 88 | 141 Ų | 141 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 145.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 234 | E | 38.4 | Very low | 34.8 | Very low | 188 Ų | 188 | 141 Ų | 141 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 155.2 | 159.1 | -71.1 | -165.5 | 117.2 | 0 | 0 | 112.3 | ||
| 235 | P | 40.2 | Very low | 34.6 | Very low | 125 Ų | 125 | 147.3 Ų | 147.3 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 137.2 | 149.8 | 32 | -20.5 | 0 | 0 | 0 | 112.4 | ||
| 236 | R | 36.7 | Very low | 34.4 | Very low | 239 Ų | 239 | 151.2 Ų | 151.2 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -48 | 153.9 | 177.5 | -75.5 | 171.7 | 155.3 | 123.5 | -4.3 | 117.6 | ||
| 237 | D | 30.4 | Very low | 34.6 | Very low | 164 Ų | 164 | 149.1 Ų | 149.1 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | -135.8 | 154.7 | 127.1 | -106.4 | -44.7 | 0 | 0 | 0 | 111.1 | |||||
| 238 | P | 40 | Very low | 34 | Very low | 110 Ų | 110 | 144 Ų | 144 | 71% | 0.714 | 81% | 0.811 | S | S | * | * | trans | -102.4 | 148.1 | -163.7 | 37.9 | -31.5 | 0 | 0 | 0 | 113.7 | ||||
| 239 | A | 29.1 | Very low | 34.2 | Very low | 98 Ų | 98 | 146.4 Ų | 146.4 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | -179.1 | 111.2 | 137.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 240 | S | 31.8 | Very low | 34 | Very low | 109 Ų | 109 | 152.3 Ų | 152.3 | 76% | 0.762 | 82% | 0.824 | S | S | * | * | trans | 41.4 | 114.7 | 131.5 | -157.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 241 | S | 29.9 | Very low | 34 | Very low | 118 Ų | 118 | 150.6 Ų | 150.6 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | -161.4 | 111.6 | 131.4 | -80.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 242 | Q | 32.9 | Very low | 33.9 | Very low | 190 Ų | 190 | 148.3 Ų | 148.3 | 89% | 0.888 | 83% | 0.826 | S | S | * | * | trans | 24 | 130.6 | 143.1 | -69.8 | 175 | -27.5 | 0 | 0 | 121.4 | ||||
| 243 | E | 33.8 | Very low | 33.7 | Very low | 193 Ų | 193 | 152 Ų | 152 | 90% | 0.902 | 83% | 0.828 | S | S | * | * | trans | -56.6 | 160.8 | 169 | -96.8 | 177.7 | 86.9 | 0 | 0 | 116.4 | ||||
| 244 | P | 34.6 | Very low | 33.8 | Very low | 107 Ų | 107 | 154 Ų | 154 | 70% | 0.695 | 83% | 0.831 | S | S | * | * | trans | -109.6 | 146.2 | 175 | 37.8 | -26.8 | 0 | 0 | 0 | 116.3 | ||||
| 245 | R | 29.3 | Very low | 33.7 | Very low | 236 Ų | 236 | 154.8 Ų | 154.8 | 89% | 0.891 | 83% | 0.832 | S | S | * | * | trans | 72.4 | 136.7 | 138.9 | -74.9 | 179.7 | 175.2 | -177.6 | 0.3 | 122.3 | ||||
| 246 | Q | 34.8 | Very low | 33.2 | Very low | 184 Ų | 184 | 152.2 Ų | 152.2 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | -169.4 | 165.1 | 105.7 | -88.9 | -105 | -9.6 | 0 | 0 | 112.6 | |||||
| 247 | P | 40.8 | Very low | 33.3 | Very low | 115 Ų | 115 | 149.2 Ų | 149.2 | 75% | 0.747 | 83% | 0.829 | S | S | * | * | trans | -115 | 168.9 | -142.2 | 42 | -34.9 | 0 | 0 | 0 | 117.2 | ||||
| 248 | G | 27.5 | Very low | 33.7 | Very low | 78 Ų | 78 | 153.5 Ų | 153.5 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | trans | -157.5 | 127.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 249 | K | 36.1 | Very low | 33.3 | Very low | 201 Ų | 201 | 151.7 Ų | 151.7 | 87% | 0.874 | 83% | 0.834 | S | S | * | * | trans | -66.9 | 145.5 | -172.8 | -65.6 | 166.8 | 172.8 | 172.4 | 0 | 114.6 | ||||
| 250 | K | 31.6 | Very low | 33.6 | Very low | 210 Ų | 210 | 153.5 Ų | 153.5 | 91% | 0.913 | 84% | 0.841 | S | S | * | * | 173.9 | 147.6 | 108.9 | -91.4 | 174.1 | -175.4 | 179.6 | 0 | 112.3 | |||||
| 251 | S | 32.5 | Very low | 33.7 | Very low | 113 Ų | 113 | 152 Ų | 152 | 79% | 0.79 | 84% | 0.842 | S | S | * | * | trans | -81.3 | 149 | -171.6 | 50.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 252 | S | 31.9 | Very low | 34.5 | Very low | 116 Ų | 116 | 155 Ų | 155 | 81% | 0.811 | 84% | 0.841 | S | S | * | * | -178.3 | 111.5 | 129.4 | 50.6 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 253 | K | 32 | Very low | 35 | Very low | 210 Ų | 210 | 154.1 Ų | 154.1 | 91% | 0.913 | 84% | 0.84 | S | S | * | * | 63.7 | 109.4 | 129.4 | -138.4 | 164.8 | -174.9 | 172.4 | 0 | 122.8 | |||||
| 254 | V | 36.2 | Very low | 35.2 | Very low | 129 Ų | 129 | 155 Ų | 155 | 78% | 0.782 | 84% | 0.836 | S | S | * | * | trans | -37.4 | 143.4 | 154.7 | 148 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 255 | K | 35.3 | Very low | 35.3 | Very low | 205 Ų | 205 | 155 Ų | 155 | 89% | 0.891 | 84% | 0.838 | S | S | * | * | 160.4 | 137.9 | 123.1 | -115.5 | 169.1 | 177.5 | -179 | 0 | 108.6 | |||||
| 256 | G | 31.2 | Very low | 35.7 | Very low | 71 Ų | 71 | 152.9 Ų | 152.9 | 73% | 0.732 | 84% | 0.835 | S | S | * | * | cis | 173.7 | 152 | 5.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 257 | L | 38.5 | Very low | 35.9 | Very low | 177 Ų | 177 | 149.4 Ų | 149.4 | 93% | 0.927 | 83% | 0.831 | S | S | * | * | trans | -60.1 | 143.1 | 174.4 | -94.8 | 69.4 | 0 | 0 | 0 | 112.6 | ||||
| 258 | R | 38.5 | Very low | 35.8 | Very low | 253 Ų | 253 | 155.4 Ų | 155.4 | 96% | 0.955 | 86% | 0.857 | S | S | * | * | trans | -163.3 | 125.3 | 130.4 | -111.6 | 174.6 | -170.5 | -112 | 1.8 | 110.9 | ||||
| 259 | G | 30.9 | Very low | 36.2 | Very low | 73 Ų | 73 | 159.3 Ų | 159.3 | 75% | 0.753 | 86% | 0.86 | S | S | * | * | trans | -92.1 | 171.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 260 | S | 35.5 | Very low | 36.2 | Very low | 135 Ų | 135 | 157.1 Ų | 157.1 | 94% | 0.944 | 86% | 0.859 | S | S | * | * | trans | 142.7 | 131.8 | 159.3 | -87.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 261 | G | 34.5 | Very low | 36.5 | Very low | 77 Ų | 77 | 154.1 Ų | 154.1 | 79% | 0.794 | 86% | 0.856 | S | S | * | * | cis | -166.4 | 168 | 9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 262 | K | 45.3 | Very low | 36.7 | Very low | 182 Ų | 182 | 156.5 Ų | 156.5 | 79% | 0.791 | 86% | 0.86 | S | S | * | * | trans | -59.7 | 147.9 | 176.2 | -72.4 | 168.6 | 170.1 | 174.7 | 0 | 113.1 | ||||
| 263 | I | 44.9 | Very low | 37 | Very low | 172 Ų | 172 | 159.1 Ų | 159.1 | 88% | 0.882 | 86% | 0.863 | S | S | * | * | trans | -141.4 | 118.4 | 141.5 | -48.1 | 174 | 0 | 0 | 0 | 108.9 | ||||
| 264 | W | 37 | Very low | 37.3 | Very low | 212 Ų | 212 | 155.7 Ų | 155.7 | 80% | 0.803 | 86% | 0.859 | S | S | * | * | trans | -81.4 | 147.2 | 170.3 | -134.7 | -48 | 0 | 0 | 0 | 106.8 | ||||
| 265 | S | 37.8 | Very low | 37.4 | Very low | 106 Ų | 106 | 157.6 Ų | 157.6 | 74% | 0.741 | 87% | 0.865 | S | S | * | * | 162.8 | 161.6 | 75.7 | -98 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 266 | K | 37.7 | Very low | 37.6 | Very low | 191 Ų | 191 | 153.9 Ų | 153.9 | 83% | 0.83 | 86% | 0.863 | S | S | * | * | trans | -58 | 163.9 | -176.5 | -71.4 | 174.1 | 164.1 | 179.1 | 0 | 118.2 | ||||
| 267 | S | 37.9 | Very low | 38.1 | Very low | 111 Ų | 111 | 160.8 Ų | 160.8 | 78% | 0.776 | 87% | 0.874 | S | S | * | * | trans | 71.3 | 117.3 | 140.8 | -70.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 268 | N | 39.1 | Very low | 38.1 | Very low | 241 Ų | 241 | 159.4 Ų | 159.4 | 100% | 1.289 | 87% | 0.869 | S | S | * | * | -143.9 | 0 | 118.5 | -122.1 | 9.4 | 0 | 0 | 0 | 108.9 |
Retrieved 268 of 268 residues in 584.7 ms
(Link to these results)