| 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 | 50.6 | Low | 74.5 | Confident | 187 Ų | 187 | 61.3 Ų | 61.3 | 92% | 0.921 | 37% | 0.368 | S | S | * | . | 0 | 112.9 | 0 | -133.4 | 94.7 | 175.7 | 0 | 0 | 106.1 | S5 | M1-S5 WeakPolarHBondContact CG-OG 3.37Š| |||
| 2 | S | 52 | Low | 75.8 | Confident | 86 Ų | 86 | 68.6 Ų | 68.6 | 60% | 0.601 | 39% | 0.386 | S | S | * | . | trans | -66.2 | 145.8 | -179.1 | 58 | 0 | 0 | 0 | 0 | 109.7 | V4 S5 | S2-V4 PolarHBondContact O-N 3.44Å; S2-S5 WeakPolarHBondContact O-CB 3.06Å; S2-S5 PolarHBondContact O-N 3.27Å; S2-S5 PolarHBondContact O-OG 2.84Å | ||
| 3 | A | 58.8 | Low | 76.9 | Confident | 67 Ų | 67 | 63.5 Ų | 63.5 | 55% | 0.554 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -47.1 | -32.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | S5 A6 D7 | A3-S5 PolarHBondContact O-N 2.86Å; A3-S5 VanDerWaalsContact O-N 3.11Å; A3-A6 WeakPolarHBondContact O-CB 3.1Å; A3-A6 PolarHBondContact O-N 2.8Å; A3-D7 PolarHBondContact O-N 2.98Å |
| 4 | V | 63.4 | Low | 77.7 | Confident | 83 Ų | 83 | 59.1 Ų | 59.1 | 50% | 0.503 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -49.3 | -38.2 | 173 | -179.9 | 0 | 0 | 0 | 0 | 113.1 | S2 F8 | S2-V4 PolarHBondContact O-N 3.44Å; V4-F8 HydrophobicContact CG1-CD2 3.63Å; V4-F8 HydrophobicContact CG1-CE2 3.21Å; V4-F8 HydrophobicContact CG1-CZ 4.23Å; V4-F8 WeakPolarHBondContact O-CD2 3.45Å; V4-F8 WeakPolarHBondContact O-CG 3.46Å; V4-F8 PolarHBondContact O-N 2.8Å |
| 5 | S | 78.5 | Confident | 78.4 | Confident | 33 Ų | 33 | 59.8 Ų | 59.8 | 23% | 0.231 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70.9 | -29.1 | 178 | 57.7 | 0 | 0 | 0 | 0 | 114 | M1 S2 A3 A9 | M1-S5 WeakPolarHBondContact CG-OG 3.37Å; S2-S5 WeakPolarHBondContact O-CB 3.06Å; S2-S5 PolarHBondContact O-N 3.27Å; S2-S5 PolarHBondContact O-OG 2.84Å; A3-S5 PolarHBondContact O-N 2.86Å; A3-S5 VanDerWaalsContact O-N 3.11Å; S5-A9 WeakPolarHBondContact O-CB 3.14Å; S5-A9 PolarHBondContact O-N 3.16Å |
| 6 | A | 80.3 | Confident | 79.1 | Confident | 11 Ų | 11 | 60.8 Ų | 60.8 | 9% | 0.091 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -72.8 | -43.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A3 A9 C10 V40 | A3-A6 WeakPolarHBondContact O-CB 3.1Å; A3-A6 PolarHBondContact O-N 2.8Å; A6-A9 PolarHBondContact O-N 3.1Å; A6-C10 PolarHBondContact O-N 2.84Å; A6-C10 PolarHBondContact O-SG 3.46Å; A6-V40 HydrophobicContact CB-CB 4.24Å; A6-V40 HydrophobicContact CB-CG1 3.6Å; A6-V40 HydrophobicContact CB-CG2 3.89Å |
| 7 | D | 83.5 | Confident | 79.7 | Confident | 46 Ų | 46 | 57.7 Ų | 57.7 | 25% | 0.246 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.8 | -48.9 | 177.9 | -60.8 | -28.8 | 0 | 0 | 0 | 110.8 | A3 A9 C10 A11 W44 Y48 | A3-D7 PolarHBondContact O-N 2.98Å; D7-A9 PolarHBondContact O-N 3.41Å; D7-C10 PolarHBondContact O-N 2.63Å; D7-A11 WeakPolarHBondContact O-CB 3.16Å; D7-A11 PolarHBondContact O-N 3.03Å; D7-W44 WeakPolarHBondContact OD1-CH2 3.33Å; D7-W44 WeakPolarHBondContact OD1-CZ2 3.4Å; D7-W44 WeakPolarHBondContact OD1-CZ3 2.97Å; D7-Y48 PolarHBondContact O-OH 3.02Å |
| 8 | F | 86.8 | Confident | 80.1 | Confident | 112 Ų | 112 | 56.7 Ų | 56.7 | 49% | 0.491 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 176.5 | -71.4 | -50.2 | 0 | 0 | 0 | 112.3 | V4 C10 A11 Y12 | V4-F8 HydrophobicContact CG1-CD2 3.63Å; V4-F8 HydrophobicContact CG1-CE2 3.21Å; V4-F8 HydrophobicContact CG1-CZ 4.23Å; V4-F8 WeakPolarHBondContact O-CD2 3.45Å; V4-F8 WeakPolarHBondContact O-CG 3.46Å; V4-F8 PolarHBondContact O-N 2.8Å; F8-C10 VanDerWaalsContact C-N 3.35Å; F8-C10 PolarHBondContact O-N 3.08Å; F8-A11 PolarHBondContact O-N 3.04Å; F8-Y12 HydrophobicContact CB-CD2 4.2Å; F8-Y12 HydrophobicContact CB-CE2 3.88Å; F8-Y12 WeakPolarHBondContact O-CB 3.45Å; F8-Y12 WeakPolarHBondContact O-CD2 3.36Å; F8-Y12 PolarHBondContact O-N 2.86Å |
| 9 | A | 88.8 | Confident | 80.5 | Confident | 19 Ų | 19 | 61.2 Ų | 61.2 | 16% | 0.157 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64 | -40.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S5 A6 D7 A13 L33 V38 V40 | S5-A9 WeakPolarHBondContact O-CB 3.14Å; S5-A9 PolarHBondContact O-N 3.16Å; A6-A9 PolarHBondContact O-N 3.1Å; D7-A9 PolarHBondContact O-N 3.41Å; A9-A13 VanDerWaalsContact O-CB 3.27Å; A9-A13 WeakPolarHBondContact O-CB 3.3Å; A9-A13 PolarHBondContact O-N 2.82Å; A9-L33 HydrophobicContact CB-CD2 3.38Å; A9-V38 HydrophobicContact CB-CG1 4.03Å; A9-V40 HydrophobicContact CB-CG2 4.41Å |
| 10 | C | 88.3 | Confident | 80.9 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.3 | -45.4 | 172.7 | -73 | 0 | 0 | 0 | 0 | 111.6 | A6 D7 F8 Y12 A13 S14 Y48 | A6-C10 PolarHBondContact O-N 2.84Å; A6-C10 PolarHBondContact O-SG 3.46Å; D7-C10 PolarHBondContact O-N 2.63Å; F8-C10 VanDerWaalsContact C-N 3.35Å; F8-C10 PolarHBondContact O-N 3.08Å; C10-Y12 PolarHBondContact O-N 3.33Å; C10-A13 PolarHBondContact O-N 2.95Å; C10-S14 WeakPolarHBondContact O-CB 3.43Å; C10-S14 PolarHBondContact O-N 2.91Å; C10-S14 PolarHBondContact O-OG 3.18Å; C10-Y48 HydrophobicContact CB-CD2 3.77Å; C10-Y48 HydrophobicContact CB-CE1 4.47Å; C10-Y48 HydrophobicContact CB-CE2 3.71Å; C10-Y48 HydrophobicContact CB-CG 4.18Å |
| 11 | A | 89.1 | Confident | 81 | Confident | 30 Ų | 30 | 67 Ų | 67 | 25% | 0.248 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.6 | -46.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D7 F8 S14 L15 Y48 | D7-A11 WeakPolarHBondContact O-CB 3.16Å; D7-A11 PolarHBondContact O-N 3.03Å; F8-A11 PolarHBondContact O-N 3.04Å; A11-S14 WeakPolarHBondContact O-CB 3.31Å; A11-S14 PolarHBondContact O-N 3.08Å; A11-L15 PolarHBondContact O-N 3.45Å; A11-Y48 HydrophobicContact CB-CE1 4.1Å |
| 12 | Y | 90.1 | Very high | 82.6 | Confident | 149 Ų | 149 | 60.4 Ų | 60.4 | 58% | 0.584 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65.3 | -41.5 | 176.7 | -68.6 | -55.3 | 0 | 0 | 0 | 112.3 | F8 C10 S14 L15 I16 | F8-Y12 HydrophobicContact CB-CD2 4.2Å; F8-Y12 HydrophobicContact CB-CE2 3.88Å; F8-Y12 WeakPolarHBondContact O-CB 3.45Å; F8-Y12 WeakPolarHBondContact O-CD2 3.36Å; F8-Y12 PolarHBondContact O-N 2.86Å; C10-Y12 PolarHBondContact O-N 3.33Å; Y12-S14 PolarHBondContact O-N 2.98Å; Y12-L15 HydrophobicContact CD1-CD1 4.43Å; Y12-L15 PolarHBondContact O-N 3.45Å; Y12-I16 VanDerWaalsContact O-CG1 3.25Å; Y12-I16 WeakPolarHBondContact O-CG1 3.5Å; Y12-I16 PolarHBondContact O-N 3.42Å |
| 13 | A | 90.2 | Very high | 84.1 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 2% | 0.017 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.3 | -37.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A9 C10 L17 I29 I32 | A9-A13 VanDerWaalsContact O-CB 3.27Å; A9-A13 WeakPolarHBondContact O-CB 3.3Å; A9-A13 PolarHBondContact O-N 2.82Å; C10-A13 PolarHBondContact O-N 2.95Å; A13-L17 VanDerWaalsContact O-CG 3.31Å; A13-L17 WeakPolarHBondContact O-CG 3.47Å; A13-L17 PolarHBondContact O-N 3.2Å; A13-L17 VanDerWaalsContact O-N 3.15Å; A13-I29 HydrophobicContact CB-CG2 3.98Å; A13-I32 HydrophobicContact CB-CB 4.05Å; A13-I32 HydrophobicContact CB-CD1 4.15Å; A13-I32 HydrophobicContact CB-CG2 3.82Å |
| 14 | S | 88.2 | Confident | 85.4 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.014 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.3 | -40.7 | 177.7 | -41.8 | 0 | 0 | 0 | 0 | 111.7 | C10 A11 Y12 L17 Q18 | C10-S14 WeakPolarHBondContact O-CB 3.43Å; C10-S14 PolarHBondContact O-N 2.91Å; C10-S14 PolarHBondContact O-OG 3.18Å; A11-S14 WeakPolarHBondContact O-CB 3.31Å; A11-S14 PolarHBondContact O-N 3.08Å; Y12-S14 PolarHBondContact O-N 2.98Å; S14-L17 PolarHBondContact O-N 2.98Å; S14-Q18 PolarHBondContact O-N 3.3Å; S14-Q18 VanDerWaalsContact O-N 3.13Å |
| 15 | L | 87 | Confident | 86.7 | Confident | 70 Ų | 70 | 55.5 Ų | 55.5 | 37% | 0.366 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.1 | -43 | 174.2 | -78.1 | 163.4 | 0 | 0 | 0 | 112.4 | A11 Y12 L17 Q18 D19 V61 | A11-L15 PolarHBondContact O-N 3.45Å; Y12-L15 HydrophobicContact CD1-CD1 4.43Å; Y12-L15 PolarHBondContact O-N 3.45Å; L15-L17 VanDerWaalsContact C-N 3.31Å; L15-L17 PolarHBondContact O-N 3.11Å; L15-Q18 WeakPolarHBondContact O-CB 3.25Å; L15-Q18 PolarHBondContact O-N 2.91Å; L15-Q18 VanDerWaalsContact O-N 3.13Å; L15-D19 PolarHBondContact O-N 3.13Å; L15-V61 HydrophobicContact CD2-CG2 4.08Å |
| 16 | I | 90.4 | Very high | 87.2 | Confident | 76 Ų | 76 | 55.3 Ų | 55.3 | 39% | 0.39 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 177.3 | -68.5 | 163.3 | 0 | 0 | 0 | 110.7 | Y12 Q18 D19 E20 I32 | Y12-I16 VanDerWaalsContact O-CG1 3.25Å; Y12-I16 WeakPolarHBondContact O-CG1 3.5Å; Y12-I16 PolarHBondContact O-N 3.42Å; I16-Q18 VanDerWaalsContact C-N 3.26Å; I16-Q18 PolarHBondContact O-N 3.39Å; I16-D19 PolarHBondContact O-N 3.13Å; I16-E20 PolarHBondContact O-N 2.96Å; I16-E20 VanDerWaalsContact O-N 3.11Å; I16-I32 HydrophobicContact CB-CD1 4.47Å; I16-I32 HydrophobicContact CD1-CG2 4.44Å; I16-I32 HydrophobicContact CG2-CD1 4.26Å |
| 17 | L | 89.7 | Confident | 87.7 | Confident | 8 Ų | 8 | 61 Ų | 61 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.5 | -35.1 | 177.9 | -70.6 | 171.5 | 0 | 0 | 0 | 112.2 | A13 S14 L15 D21 V22 I24 R28 I29 I32 | A13-L17 VanDerWaalsContact O-CG 3.31Å; A13-L17 WeakPolarHBondContact O-CG 3.47Å; A13-L17 PolarHBondContact O-N 3.2Å; A13-L17 VanDerWaalsContact O-N 3.15Å; S14-L17 PolarHBondContact O-N 2.98Å; L15-L17 VanDerWaalsContact C-N 3.31Å; L15-L17 PolarHBondContact O-N 3.11Å; L17-D21 PolarHBondContact O-N 3.41Å; L17-V22 PolarHBondContact O-N 2.95Å; L17-V22 VanDerWaalsContact O-O 3.07Å; L17-I24 HydrophobicContact CB-CG1 4.04Å; L17-I24 HydrophobicContact CD1-CG2 4.35Å; L17-R28 HydrophobicContact CD1-CB 3.72Å; L17-R28 HydrophobicContact CD2-CB 3.85Å; L17-R28 HydrophobicContact CG-CB 4.46Å; L17-I29 HydrophobicContact CD1-CG1 3.8Å; L17-I32 HydrophobicContact CD1-CD1 4.19Å; L17-I32 HydrophobicContact CD2-CD1 3.86Å; L17-I32 HydrophobicContact CG-CD1 3.72Å |
| 18 | Q | 85.7 | Confident | 88 | Confident | 40 Ų | 40 | 63.5 Ų | 63.5 | 19% | 0.187 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -70.4 | -40.6 | 175.7 | -170.7 | 67.5 | 15.5 | 0 | 0 | 112.8 | S14 L15 I16 E20 D21 I24 M57 | S14-Q18 PolarHBondContact O-N 3.3Å; S14-Q18 VanDerWaalsContact O-N 3.13Å; L15-Q18 WeakPolarHBondContact O-CB 3.25Å; L15-Q18 PolarHBondContact O-N 2.91Å; L15-Q18 VanDerWaalsContact O-N 3.13Å; I16-Q18 VanDerWaalsContact C-N 3.26Å; I16-Q18 PolarHBondContact O-N 3.39Å; Q18-E20 PolarHBondContact O-N 2.92Å; Q18-D21 WeakPolarHBondContact O-CA 3.48Å; Q18-D21 PolarHBondContact O-N 2.96Å; Q18-I24 HydrophobicContact CB-CD1 4.48Å; Q18-M57 HydrophobicContact CB-CB 4.27Å; Q18-M57 HydrophobicContact CB-SD 3.6Å; Q18-M57 VanDerWaalsContact CB-SD 3.6Å; Q18-M57 VanDerWaalsContact CD-CB 3.49Å; Q18-M57 HydrophobicContact CG-CB 3.51Å; Q18-M57 HydrophobicContact CG-CG 4.31Å; Q18-M57 HydrophobicContact CG-SD 3.9Å |
| 19 | D | 87.6 | Confident | 88.2 | Confident | 141 Ų | 141 | 58.2 Ų | 58.2 | 75% | 0.754 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63 | -34.5 | 176.9 | -81.3 | -8.7 | 0 | 0 | 0 | 111.6 | L15 I16 D21 | L15-D19 PolarHBondContact O-N 3.13Å; I16-D19 PolarHBondContact O-N 3.13Å; D19-D21 PolarHBondContact O-N 3.32Å |
| 20 | E | 88.8 | Confident | 88.2 | Confident | 136 Ų | 136 | 58.6 Ų | 58.6 | 64% | 0.636 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | 0.1 | 173.1 | -70.1 | -169.6 | 170.2 | 0 | 0 | 113.5 | I16 Q18 V22 | I16-E20 PolarHBondContact O-N 2.96Å; I16-E20 VanDerWaalsContact O-N 3.11Å; Q18-E20 PolarHBondContact O-N 2.92Å; E20-V22 HydrophobicContact CB-CG2 3.38Å; E20-V22 WeakPolarHBondContact O-CG2 3.46Å; E20-V22 PolarHBondContact O-N 3.19Å |
| 21 | D | 83.5 | Confident | 88.3 | Confident | 108 Ų | 108 | 61.1 Ų | 61.1 | 58% | 0.578 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 31.1 | -176.4 | -91.1 | -40.9 | 0 | 0 | 0 | 113.5 | L17 Q18 D19 K58 | L17-D21 PolarHBondContact O-N 3.41Å; Q18-D21 WeakPolarHBondContact O-CA 3.48Å; Q18-D21 PolarHBondContact O-N 2.96Å; D19-D21 PolarHBondContact O-N 3.32Å; D21-K58 WeakPolarHBondContact OD1-CE 3.36Å; D21-K58 IonicContact OD1-NZ 2.63Å; D21-K58 PolarHBondContact OD1-NZ 3.28Å; D21-K58 IonicContact OD2-NZ 2.84Å; D21-K58 PolarHBondContact OD2-NZ 3.04Å |
| 22 | V | 83.4 | Confident | 88.3 | Confident | 49 Ų | 49 | 61.8 Ų | 61.8 | 30% | 0.297 | 33% | 0.334 | S | S | . | . | trans | -105.6 | 132.8 | 178.1 | -126.7 | 0 | 0 | 0 | 0 | 110.2 | L17 E20 I24 R28 | L17-V22 PolarHBondContact O-N 2.95Å; L17-V22 VanDerWaalsContact O-O 3.07Å; E20-V22 HydrophobicContact CB-CG2 3.38Å; E20-V22 WeakPolarHBondContact O-CG2 3.46Å; E20-V22 PolarHBondContact O-N 3.19Å; V22-I24 PolarHBondContact O-N 3.28Å; V22-R28 VanDerWaalsContact CB-NH1 3.32Å | ||
| 23 | G | 84.7 | Confident | 88.3 | Confident | 48 Ų | 48 | 55 Ų | 55 | 50% | 0.495 | 31% | 0.308 | S | S | . | . | trans | -47.4 | 132.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | T25 R28 | G23-T25 PolarHBondContact O-N 2.86Å; G23-R28 WeakPolarHBondContact O-CD 3.14Å; G23-R28 PolarHBondContact O-NH1 3.35Å | ||
| 24 | I | 86.3 | Confident | 88.1 | Confident | 29 Ų | 29 | 62.6 Ų | 62.6 | 15% | 0.149 | 34% | 0.341 | C | S | . | . | trans | -79.7 | 111.8 | -177.7 | -55 | 177.9 | 0 | 0 | 0 | 108.7 | L17 Q18 V22 I29 V49 L52 M57 | L17-I24 HydrophobicContact CB-CG1 4.04Å; L17-I24 HydrophobicContact CD1-CG2 4.35Å; Q18-I24 HydrophobicContact CB-CD1 4.48Å; V22-I24 PolarHBondContact O-N 3.28Å; I24-I29 HydrophobicContact CG2-CD1 3.79Å; I24-I29 HydrophobicContact CG2-CG1 4.31Å; I24-V49 HydrophobicContact CG2-CG2 4.5Å; I24-L52 HydrophobicContact CD1-CD1 4.33Å; I24-L52 HydrophobicContact CG2-CD1 4.23Å; I24-M57 HydrophobicContact CD1-CE 3.18Å; I24-M57 HydrophobicContact CD1-CG 4.19Å; I24-M57 HydrophobicContact CD1-SD 3.46Å; I24-M57 WeakPolarHBondContact CD1-SD 3.47Å | ||
| 25 | T | 89.9 | Confident | 88.2 | Confident | 57 Ų | 57 | 66.9 Ų | 66.9 | 35% | 0.35 | 38% | 0.376 | S | S | . | . | trans | -134.1 | 153.7 | -177.3 | 48.7 | 0 | 0 | 0 | 0 | 110.2 | G23 D27 R28 I29 | G23-T25 PolarHBondContact O-N 2.86Å; T25-D27 VanDerWaalsContact C-N 3.27Å; T25-D27 PolarHBondContact O-N 2.98Å; T25-R28 PolarHBondContact O-N 3.15Å; T25-R28 VanDerWaalsContact O-N 3.13Å; T25-R28 WeakPolarHBondContact OG1-CD 3.21Å; T25-R28 VanDerWaalsContact OG1-CG 3.27Å; T25-R28 WeakPolarHBondContact OG1-CG 3.33Å; T25-I29 PolarHBondContact O-N 2.94Å; T25-I29 VanDerWaalsContact O-N 3.08Å | ||
| 26 | A | 89.2 | Confident | 88.1 | Confident | 28 Ų | 28 | 66.7 Ų | 66.7 | 23% | 0.231 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.7 | -38.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | R28 I29 S30 P45 E46 V49 | A26-R28 PolarHBondContact O-N 3.46Å; A26-I29 PolarHBondContact O-N 3.32Å; A26-S30 WeakPolarHBondContact O-CB 3.45Å; A26-S30 PolarHBondContact O-N 3.25Å; A26-P45 HydrophobicContact CB-CB 4.03Å; A26-E46 HydrophobicContact CB-CG 4.09Å; A26-V49 HydrophobicContact CB-CG2 4.24Å; A26-V49 VanDerWaalsContact N-CG2 3.32Å |
| 27 | D | 90.4 | Very high | 87.7 | Confident | 131 Ų | 131 | 66.3 Ų | 66.3 | 70% | 0.701 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -59.7 | -44.2 | 176 | -70.2 | -49.5 | 0 | 0 | 0 | 112.2 | T25 S30 A31 | T25-D27 VanDerWaalsContact C-N 3.27Å; T25-D27 PolarHBondContact O-N 2.98Å; D27-S30 PolarHBondContact O-N 2.72Å; D27-S30 PolarHBondContact O-OG 3.32Å; D27-A31 WeakPolarHBondContact O-CB 3.49Å; D27-A31 PolarHBondContact O-N 3.35Å |
| 28 | R | 90 | Very high | 87.3 | Confident | 99 Ų | 99 | 67.3 Ų | 67.3 | 37% | 0.374 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -70.6 | -42 | -178.5 | -67.6 | -178.4 | -170.9 | 174.7 | -7.4 | 112.2 | L17 V22 G23 T25 A26 S30 A31 I32 | L17-R28 HydrophobicContact CD1-CB 3.72Å; L17-R28 HydrophobicContact CD2-CB 3.85Å; L17-R28 HydrophobicContact CG-CB 4.46Å; V22-R28 VanDerWaalsContact CB-NH1 3.32Å; G23-R28 WeakPolarHBondContact O-CD 3.14Å; G23-R28 PolarHBondContact O-NH1 3.35Å; T25-R28 PolarHBondContact O-N 3.15Å; T25-R28 VanDerWaalsContact O-N 3.13Å; T25-R28 WeakPolarHBondContact OG1-CD 3.21Å; T25-R28 VanDerWaalsContact OG1-CG 3.27Å; T25-R28 WeakPolarHBondContact OG1-CG 3.33Å; A26-R28 PolarHBondContact O-N 3.46Å; R28-S30 VanDerWaalsContact C-N 3.3Å; R28-S30 PolarHBondContact O-N 3.41Å; R28-A31 WeakPolarHBondContact O-CB 3.45Å; R28-A31 PolarHBondContact O-N 3Å; R28-I32 WeakPolarHBondContact O-CG1 3.27Å; R28-I32 PolarHBondContact O-N 3.22Å |
| 29 | I | 90 | Very high | 86.8 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -59.1 | -46.9 | 172.6 | -64.9 | 173.2 | 0 | 0 | 0 | 109.2 | A13 L17 I24 T25 A26 A31 I32 L33 P45 V49 | A13-I29 HydrophobicContact CB-CG2 3.98Å; L17-I29 HydrophobicContact CD1-CG1 3.8Å; I24-I29 HydrophobicContact CG2-CD1 3.79Å; I24-I29 HydrophobicContact CG2-CG1 4.31Å; T25-I29 PolarHBondContact O-N 2.94Å; T25-I29 VanDerWaalsContact O-N 3.08Å; A26-I29 PolarHBondContact O-N 3.32Å; I29-A31 VanDerWaalsContact C-N 3.28Å; I29-A31 PolarHBondContact O-N 3.22Å; I29-I32 PolarHBondContact O-N 2.87Å; I29-L33 HydrophobicContact CG2-CD1 3.75Å; I29-L33 HydrophobicContact CG2-CG 4.27Å; I29-L33 WeakPolarHBondContact O-CG 2.94Å; I29-L33 PolarHBondContact O-N 3.17Å; I29-P45 HydrophobicContact CB-CB 4.11Å; I29-P45 HydrophobicContact CG2-CB 3.93Å; I29-P45 HydrophobicContact CG2-CG 3.94Å; I29-V49 HydrophobicContact CD1-CG2 4.17Å |
| 30 | S | 89 | Confident | 86.4 | Confident | 27 Ų | 27 | 71.8 Ų | 71.8 | 19% | 0.189 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.9 | -34.8 | 178.4 | 85.1 | 0 | 0 | 0 | 0 | 112.9 | A26 D27 R28 L33 K34 | A26-S30 WeakPolarHBondContact O-CB 3.45Å; A26-S30 PolarHBondContact O-N 3.25Å; D27-S30 PolarHBondContact O-N 2.72Å; D27-S30 PolarHBondContact O-OG 3.32Å; R28-S30 VanDerWaalsContact C-N 3.3Å; R28-S30 PolarHBondContact O-N 3.41Å; S30-L33 PolarHBondContact O-N 3.37Å; S30-K34 WeakPolarHBondContact O-CB 3.4Å; S30-K34 VanDerWaalsContact O-CG 3.26Å; S30-K34 WeakPolarHBondContact O-CG 3.22Å; S30-K34 PolarHBondContact O-N 2.93Å |
| 31 | A | 90.9 | Very high | 86.1 | Confident | 53 Ų | 53 | 70.8 Ų | 70.8 | 44% | 0.438 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67 | -43.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D27 R28 I29 K34 A35 | D27-A31 WeakPolarHBondContact O-CB 3.49Å; D27-A31 PolarHBondContact O-N 3.35Å; R28-A31 WeakPolarHBondContact O-CB 3.45Å; R28-A31 PolarHBondContact O-N 3Å; I29-A31 VanDerWaalsContact C-N 3.28Å; I29-A31 PolarHBondContact O-N 3.22Å; A31-K34 PolarHBondContact O-N 2.92Å; A31-A35 WeakPolarHBondContact O-CB 3.25Å; A31-A35 PolarHBondContact O-N 3.09Å |
| 32 | I | 90.1 | Very high | 86.1 | Confident | 44 Ų | 44 | 69.3 Ų | 69.3 | 23% | 0.226 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 175.1 | -65.7 | 169.8 | 0 | 0 | 0 | 110.3 | A13 I16 L17 R28 I29 K34 A35 A36 | A13-I32 HydrophobicContact CB-CB 4.05Å; A13-I32 HydrophobicContact CB-CD1 4.15Å; A13-I32 HydrophobicContact CB-CG2 3.82Å; I16-I32 HydrophobicContact CB-CD1 4.47Å; I16-I32 HydrophobicContact CD1-CG2 4.44Å; I16-I32 HydrophobicContact CG2-CD1 4.26Å; L17-I32 HydrophobicContact CD1-CD1 4.19Å; L17-I32 HydrophobicContact CD2-CD1 3.86Å; L17-I32 HydrophobicContact CG-CD1 3.72Å; R28-I32 WeakPolarHBondContact O-CG1 3.27Å; R28-I32 PolarHBondContact O-N 3.22Å; I29-I32 PolarHBondContact O-N 2.87Å; I32-K34 VanDerWaalsContact C-N 3.34Å; I32-K34 PolarHBondContact O-N 3.48Å; I32-A35 PolarHBondContact O-N 3.31Å; I32-A36 WeakPolarHBondContact O-CB 3.23Å; I32-A36 PolarHBondContact O-N 2.9Å |
| 33 | L | 88.7 | Confident | 86.2 | Confident | 8 Ų | 8 | 72.3 Ų | 72.3 | 4% | 0.042 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 178.9 | -67.6 | 171.3 | 0 | 0 | 0 | 112.2 | A9 I29 S30 A36 G37 V38 V40 P45 | A9-L33 HydrophobicContact CB-CD2 3.38Å; I29-L33 HydrophobicContact CG2-CD1 3.75Å; I29-L33 HydrophobicContact CG2-CG 4.27Å; I29-L33 WeakPolarHBondContact O-CG 2.94Å; I29-L33 PolarHBondContact O-N 3.17Å; S30-L33 PolarHBondContact O-N 3.37Å; L33-A36 PolarHBondContact O-N 3.44Å; L33-G37 PolarHBondContact O-N 3.34Å; L33-G37 VanDerWaalsContact O-N 3.14Å; L33-V38 HydrophobicContact CD2-CB 4.47Å; L33-V38 PolarHBondContact O-N 3.38Å; L33-V40 HydrophobicContact CD1-CB 3.93Å; L33-V40 HydrophobicContact CD1-CG2 3.92Å; L33-V40 HydrophobicContact CD2-CG2 3.88Å; L33-V40 HydrophobicContact CG-CG2 4.41Å; L33-P45 HydrophobicContact CD1-CG 4.21Å |
| 34 | K | 87.3 | Confident | 86.3 | Confident | 161 Ų | 161 | 73.8 Ų | 73.8 | 70% | 0.7 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -63.2 | -43.5 | 172.6 | -76.7 | 168.9 | -176.6 | 163.4 | 0 | 111.8 | S30 A31 I32 A36 G37 | S30-K34 WeakPolarHBondContact O-CB 3.4Å; S30-K34 VanDerWaalsContact O-CG 3.26Å; S30-K34 WeakPolarHBondContact O-CG 3.22Å; S30-K34 PolarHBondContact O-N 2.93Å; A31-K34 PolarHBondContact O-N 2.92Å; I32-K34 VanDerWaalsContact C-N 3.34Å; I32-K34 PolarHBondContact O-N 3.48Å; K34-A36 VanDerWaalsContact C-N 3.3Å; K34-A36 PolarHBondContact O-N 3.13Å; K34-G37 PolarHBondContact O-N 3.32Å; K34-G37 VanDerWaalsContact O-N 3.1Å |
| 35 | A | 89.2 | Confident | 86.3 | Confident | 91 Ų | 91 | 72.5 Ų | 72.5 | 75% | 0.752 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -63.9 | -36.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A31 I32 G37 | A31-A35 WeakPolarHBondContact O-CB 3.25Å; A31-A35 PolarHBondContact O-N 3.09Å; I32-A35 PolarHBondContact O-N 3.31Å; A35-G37 PolarHBondContact O-N 3.21Å |
| 36 | A | 85.3 | Confident | 86.3 | Confident | 67 Ų | 67 | 75 Ų | 75 | 55% | 0.554 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -6.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | I32 L33 K34 V38 | I32-A36 WeakPolarHBondContact O-CB 3.23Å; I32-A36 PolarHBondContact O-N 2.9Å; L33-A36 PolarHBondContact O-N 3.44Å; K34-A36 VanDerWaalsContact C-N 3.3Å; K34-A36 PolarHBondContact O-N 3.13Å; A36-V38 HydrophobicContact CB-CG2 3.97Å; A36-V38 PolarHBondContact O-N 2.75Å |
| 37 | G | 82.1 | Confident | 86.2 | Confident | 67 Ų | 67 | 78.9 Ų | 78.9 | 69% | 0.691 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 16.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | L33 K34 A35 | L33-G37 PolarHBondContact O-N 3.34Å; L33-G37 VanDerWaalsContact O-N 3.14Å; K34-G37 PolarHBondContact O-N 3.32Å; K34-G37 VanDerWaalsContact O-N 3.1Å; A35-G37 PolarHBondContact O-N 3.21Å |
| 38 | V | 80.9 | Confident | 86 | Confident | 29 Ų | 29 | 75 Ų | 75 | 18% | 0.176 | 41% | 0.406 | C | S | . | . | trans | -93.9 | 121 | -178.3 | -173 | 0 | 0 | 0 | 0 | 109.1 | A9 L33 A36 V40 | A9-V38 HydrophobicContact CB-CG1 4.03Å; L33-V38 HydrophobicContact CD2-CB 4.47Å; L33-V38 PolarHBondContact O-N 3.38Å; A36-V38 HydrophobicContact CB-CG2 3.97Å; A36-V38 PolarHBondContact O-N 2.75Å; V38-V40 HydrophobicContact CG1-CG2 3.74Å; V38-V40 PolarHBondContact O-N 3.47Å | ||
| 39 | R | 75 | Confident | 86 | Confident | 244 Ų | 244 | 71.2 Ų | 71.2 | 92% | 0.921 | 40% | 0.395 | S | S | * | . | trans | -85.3 | 112.9 | 171.9 | -69.4 | -172.6 | -173.2 | -178.8 | 2.4 | 109.3 | ||||
| 40 | V | 79.9 | Confident | 85.8 | Confident | 31 Ų | 31 | 74.6 Ų | 74.6 | 19% | 0.188 | 42% | 0.418 | C | S | . | . | trans | -122.4 | 144.1 | 173.1 | -175.1 | 0 | 0 | 0 | 0 | 108.3 | A6 A9 L33 V38 W44 | A6-V40 HydrophobicContact CB-CB 4.24Å; A6-V40 HydrophobicContact CB-CG1 3.6Å; A6-V40 HydrophobicContact CB-CG2 3.89Å; A9-V40 HydrophobicContact CB-CG2 4.41Å; L33-V40 HydrophobicContact CD1-CB 3.93Å; L33-V40 HydrophobicContact CD1-CG2 3.92Å; L33-V40 HydrophobicContact CD2-CG2 3.88Å; L33-V40 HydrophobicContact CG-CG2 4.41Å; V38-V40 HydrophobicContact CG1-CG2 3.74Å; V38-V40 PolarHBondContact O-N 3.47Å; V40-W44 HydrophobicContact CG1-CB 3.71Å; V40-W44 HydrophobicContact CG1-CG 3.85Å | ||
| 41 | D | 82.9 | Confident | 85.7 | Confident | 115 Ų | 115 | 75.9 Ų | 75.9 | 62% | 0.615 | 43% | 0.431 | S | S | * | . | trans | -65 | 141.2 | 175.7 | -155 | -18.4 | 0 | 0 | 0 | 110.5 | I43 W44 P45 | D41-I43 PolarHBondContact O-N 3.37Å; D41-W44 PolarHBondContact O-N 3.37Å; D41-W44 VanDerWaalsContact O-N 3.08Å; D41-P45 VanDerWaalsContact O-CD 3.24Å; D41-P45 WeakPolarHBondContact O-CD 3.48Å | ||
| 42 | S | 82.4 | Confident | 85.3 | Confident | 77 Ų | 77 | 75 Ų | 75 | 54% | 0.538 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -17.8 | -171.4 | -147 | 0 | 0 | 0 | 0 | 112.8 | W44 P45 | S42-W44 VanDerWaalsContact C-N 3.29Å; S42-W44 PolarHBondContact O-N 2.86Å; S42-P45 WeakPolarHBondContact O-CD 3.27Å |
| 43 | I | 86.4 | Confident | 84.9 | Confident | 113 Ų | 113 | 79.6 Ų | 79.6 | 58% | 0.579 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -68.3 | -27.9 | 177.3 | -139.6 | 150.9 | 0 | 0 | 0 | 112.6 | D41 M47 | D41-I43 PolarHBondContact O-N 3.37Å; I43-M47 WeakPolarHBondContact O-CB 3.2Å; I43-M47 PolarHBondContact O-N 3.48Å |
| 44 | W | 86.8 | Confident | 84.4 | Confident | 78 Ų | 78 | 86.5 Ų | 86.5 | 30% | 0.295 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.8 | -52.7 | -179.8 | -70.4 | 104 | 0 | 0 | 0 | 112 | D7 V40 D41 S42 E46 M47 Y48 | D7-W44 WeakPolarHBondContact OD1-CH2 3.33Å; D7-W44 WeakPolarHBondContact OD1-CZ2 3.4Å; D7-W44 WeakPolarHBondContact OD1-CZ3 2.97Å; V40-W44 HydrophobicContact CG1-CB 3.71Å; V40-W44 HydrophobicContact CG1-CG 3.85Å; D41-W44 PolarHBondContact O-N 3.37Å; D41-W44 VanDerWaalsContact O-N 3.08Å; S42-W44 VanDerWaalsContact C-N 3.29Å; S42-W44 PolarHBondContact O-N 2.86Å; W44-E46 VanDerWaalsContact C-N 3.26Å; W44-E46 PolarHBondContact O-N 3.18Å; W44-M47 PolarHBondContact O-N 2.93Å; W44-M47 VanDerWaalsContact O-N 3.13Å; W44-Y48 HydrophobicContact CE3-CE2 4.14Å; W44-Y48 VanDerWaalsContact O-CD2 3.32Å; W44-Y48 WeakPolarHBondContact O-CD2 3.41Å; W44-Y48 PolarHBondContact O-N 3.43Å |
| 45 | P | 86.4 | Confident | 83.9 | Confident | 3 Ų | 3 | 81.4 Ų | 81.4 | 2% | 0.019 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -50.3 | -44.2 | 172.2 | -28.4 | 32.1 | 0 | 0 | 0 | 113.8 | A26 I29 L33 D41 S42 Y48 V49 | A26-P45 HydrophobicContact CB-CB 4.03Å; I29-P45 HydrophobicContact CB-CB 4.11Å; I29-P45 HydrophobicContact CG2-CB 3.93Å; I29-P45 HydrophobicContact CG2-CG 3.94Å; L33-P45 HydrophobicContact CD1-CG 4.21Å; D41-P45 VanDerWaalsContact O-CD 3.24Å; D41-P45 WeakPolarHBondContact O-CD 3.48Å; S42-P45 WeakPolarHBondContact O-CD 3.27Å; P45-Y48 PolarHBondContact O-N 3.22Å; P45-V49 VanDerWaalsContact O-CG2 3.25Å; P45-V49 WeakPolarHBondContact O-CG2 3.4Å; P45-V49 PolarHBondContact O-N 3.46Å |
| 46 | E | 88.3 | Confident | 83.3 | Confident | 110 Ų | 110 | 82.4 Ų | 82.4 | 51% | 0.514 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.3 | -41.4 | 179 | -70.6 | -178.2 | 174.4 | 0 | 0 | 112.4 | A26 W44 Y48 V49 S50 | A26-E46 HydrophobicContact CB-CG 4.09Å; W44-E46 VanDerWaalsContact C-N 3.26Å; W44-E46 PolarHBondContact O-N 3.18Å; E46-Y48 VanDerWaalsContact C-N 3.35Å; E46-V49 PolarHBondContact O-N 3.08Å; E46-S50 PolarHBondContact O-N 3.46Å; E46-S50 PolarHBondContact O-OG 3.4Å |
| 47 | M | 87.2 | Confident | 82.9 | Confident | 108 Ų | 108 | 79.9 Ų | 79.9 | 53% | 0.532 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 176.4 | -154.4 | -155.7 | 94.6 | 0 | 0 | 111.5 | I43 W44 S50 A51 | I43-M47 WeakPolarHBondContact O-CB 3.2Å; I43-M47 PolarHBondContact O-N 3.48Å; W44-M47 PolarHBondContact O-N 2.93Å; W44-M47 VanDerWaalsContact O-N 3.13Å; M47-S50 PolarHBondContact O-N 2.95Å; M47-A51 WeakPolarHBondContact O-CB 3.26Å; M47-A51 PolarHBondContact O-N 2.62Å |
| 48 | Y | 87 | Confident | 82.6 | Confident | 49 Ų | 49 | 81.5 Ų | 81.5 | 19% | 0.192 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -66.7 | -43 | 177.7 | -90.3 | -97.5 | 0 | 0 | 0 | 111.9 | D7 C10 A11 W44 P45 E46 S50 A51 L52 | D7-Y48 PolarHBondContact O-OH 3.02Å; C10-Y48 HydrophobicContact CB-CD2 3.77Å; C10-Y48 HydrophobicContact CB-CE1 4.47Å; C10-Y48 HydrophobicContact CB-CE2 3.71Å; C10-Y48 HydrophobicContact CB-CG 4.18Å; A11-Y48 HydrophobicContact CB-CE1 4.1Å; W44-Y48 HydrophobicContact CE3-CE2 4.14Å; W44-Y48 VanDerWaalsContact O-CD2 3.32Å; W44-Y48 WeakPolarHBondContact O-CD2 3.41Å; W44-Y48 PolarHBondContact O-N 3.43Å; P45-Y48 PolarHBondContact O-N 3.22Å; E46-Y48 VanDerWaalsContact C-N 3.35Å; Y48-S50 VanDerWaalsContact C-N 3.3Å; Y48-S50 PolarHBondContact O-N 3.46Å; Y48-A51 PolarHBondContact O-N 3.47Å; Y48-L52 HydrophobicContact CD1-CD1 4.09Å; Y48-L52 WeakPolarHBondContact O-CB 3.35Å; Y48-L52 WeakPolarHBondContact O-CD1 3.32Å; Y48-L52 WeakPolarHBondContact O-CG 3.24Å; Y48-L52 PolarHBondContact O-N 3.45Å |
| 49 | V | 89 | Confident | 82.6 | Confident | 21 Ų | 21 | 83.9 Ų | 83.9 | 13% | 0.127 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -58.4 | -45.5 | 174.3 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | I24 A26 I29 P45 E46 A51 L52 Q53 | I24-V49 HydrophobicContact CG2-CG2 4.5Å; A26-V49 HydrophobicContact CB-CG2 4.24Å; A26-V49 VanDerWaalsContact N-CG2 3.32Å; I29-V49 HydrophobicContact CD1-CG2 4.17Å; P45-V49 VanDerWaalsContact O-CG2 3.25Å; P45-V49 WeakPolarHBondContact O-CG2 3.4Å; P45-V49 PolarHBondContact O-N 3.46Å; E46-V49 PolarHBondContact O-N 3.08Å; V49-A51 PolarHBondContact O-N 2.97Å; V49-L52 PolarHBondContact O-N 2.95Å; V49-Q53 HydrophobicContact CG1-CG 4.45Å; V49-Q53 VanDerWaalsContact O-CG 3.23Å; V49-Q53 WeakPolarHBondContact O-CG 3.37Å; V49-Q53 PolarHBondContact O-N 3.48Å |
| 50 | S | 87.5 | Confident | 82.6 | Confident | 71 Ų | 71 | 75.9 Ų | 75.9 | 50% | 0.497 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65 | -39.4 | 179.1 | -54.5 | 0 | 0 | 0 | 0 | 112.3 | E46 M47 Y48 | E46-S50 PolarHBondContact O-N 3.46Å; E46-S50 PolarHBondContact O-OG 3.4Å; M47-S50 PolarHBondContact O-N 2.95Å; Y48-S50 VanDerWaalsContact C-N 3.3Å; Y48-S50 PolarHBondContact O-N 3.46Å |
| 51 | A | 86.3 | Confident | 82.5 | Confident | 54 Ų | 54 | 78.1 Ų | 78.1 | 45% | 0.446 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.9 | -36.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | M47 Y48 V49 C55 | M47-A51 WeakPolarHBondContact O-CB 3.26Å; M47-A51 PolarHBondContact O-N 2.62Å; Y48-A51 PolarHBondContact O-N 3.47Å; V49-A51 PolarHBondContact O-N 2.97Å; A51-C55 PolarHBondContact O-SG 3.27Å |
| 52 | L | 83.3 | Confident | 82.3 | Confident | 34 Ų | 34 | 78.2 Ų | 78.2 | 18% | 0.178 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -91.2 | -12.3 | -172.7 | -65.1 | 165.4 | 0 | 0 | 0 | 113.7 | I24 Y48 V49 N54 C55 M57 | I24-L52 HydrophobicContact CD1-CD1 4.33Å; I24-L52 HydrophobicContact CG2-CD1 4.23Å; Y48-L52 HydrophobicContact CD1-CD1 4.09Å; Y48-L52 WeakPolarHBondContact O-CB 3.35Å; Y48-L52 WeakPolarHBondContact O-CD1 3.32Å; Y48-L52 WeakPolarHBondContact O-CG 3.24Å; Y48-L52 PolarHBondContact O-N 3.45Å; V49-L52 PolarHBondContact O-N 2.95Å; L52-N54 PolarHBondContact O-N 3.29Å; L52-C55 HydrophobicContact CD2-CB 4.35Å; L52-C55 PolarHBondContact O-N 2.86Å; L52-C55 VanDerWaalsContact O-N 3.09Å; L52-M57 HydrophobicContact CB-CE 4.26Å; L52-M57 HydrophobicContact CD1-CE 3.12Å; L52-M57 HydrophobicContact CD2-CE 3.29Å; L52-M57 HydrophobicContact CD2-CG 4.21Å; L52-M57 HydrophobicContact CG-CE 3.67Å |
| 53 | Q | 81.4 | Confident | 82.1 | Confident | 140 Ų | 140 | 78.4 Ų | 78.4 | 65% | 0.654 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -36.1 | 177.4 | -92.5 | 168.3 | 9.5 | 0 | 0 | 113.8 | V49 | V49-Q53 HydrophobicContact CG1-CG 4.45Å; V49-Q53 VanDerWaalsContact O-CG 3.23Å; V49-Q53 WeakPolarHBondContact O-CG 3.37Å; V49-Q53 PolarHBondContact O-N 3.48Å |
| 54 | N | 78.6 | Confident | 81.5 | Confident | 154 Ų | 154 | 78.8 Ų | 78.8 | 82% | 0.824 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 4.9 | -179.1 | -62.5 | -47.3 | 0 | 0 | 0 | 113.1 | L52 | L52-N54 PolarHBondContact O-N 3.29Š|
| 55 | C | 75.4 | Confident | 80.5 | Confident | 53 Ų | 53 | 79.6 Ų | 79.6 | 36% | 0.358 | 43% | 0.432 | S | S | . | . | trans | -110.5 | 114.5 | -174.7 | -73.1 | 0 | 0 | 0 | 0 | 109.9 | A51 L52 M57 I60 | A51-C55 PolarHBondContact O-SG 3.27Å; L52-C55 HydrophobicContact CD2-CB 4.35Å; L52-C55 PolarHBondContact O-N 2.86Å; L52-C55 VanDerWaalsContact O-N 3.09Å; C55-M57 PolarHBondContact O-N 3.4Å; C55-I60 HydrophobicContact CB-CD1 3.61Å | ||
| 56 | N | 76.9 | Confident | 79.2 | Confident | 112 Ų | 112 | 82.3 Ų | 82.3 | 60% | 0.599 | 45% | 0.449 | S | S | * | . | trans | -68.9 | 97.7 | 165.4 | -92 | -20.9 | 0 | 0 | 0 | 108.9 | K58 D59 I60 | N56-K58 PolarHBondContact O-N 3.04Å; N56-D59 HydrophobicContact CB-CB 3.91Å; N56-D59 WeakPolarHBondContact CB-OD2 3.01Å; N56-D59 PolarHBondContact ND2-OD2 2.9Å; N56-D59 PolarHBondContact O-N 3.48Å; N56-I60 PolarHBondContact O-N 2.92Å | ||
| 57 | M | 76.2 | Confident | 77.8 | Confident | 15 Ų | 15 | 80.4 Ų | 80.4 | 7% | 0.074 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -56.9 | -34 | 178.9 | -80.3 | -154.4 | 178.1 | 0 | 0 | 113.3 | Q18 I24 L52 C55 D59 I60 V61 | Q18-M57 HydrophobicContact CB-CB 4.27Å; Q18-M57 HydrophobicContact CB-SD 3.6Å; Q18-M57 VanDerWaalsContact CB-SD 3.6Å; Q18-M57 VanDerWaalsContact CD-CB 3.49Å; Q18-M57 HydrophobicContact CG-CB 3.51Å; Q18-M57 HydrophobicContact CG-CG 4.31Å; Q18-M57 HydrophobicContact CG-SD 3.9Å; I24-M57 HydrophobicContact CD1-CE 3.18Å; I24-M57 HydrophobicContact CD1-CG 4.19Å; I24-M57 HydrophobicContact CD1-SD 3.46Å; I24-M57 WeakPolarHBondContact CD1-SD 3.47Å; L52-M57 HydrophobicContact CB-CE 4.26Å; L52-M57 HydrophobicContact CD1-CE 3.12Å; L52-M57 HydrophobicContact CD2-CE 3.29Å; L52-M57 HydrophobicContact CD2-CG 4.21Å; L52-M57 HydrophobicContact CG-CE 3.67Å; C55-M57 PolarHBondContact O-N 3.4Å; M57-D59 VanDerWaalsContact C-N 3.32Å; M57-D59 PolarHBondContact O-N 3.26Å; M57-I60 PolarHBondContact O-N 3.37Å; M57-V61 VanDerWaalsContact O-CG2 3.3Å; M57-V61 WeakPolarHBondContact O-CG2 3.39Å; M57-V61 PolarHBondContact O-N 3.32Å |
| 58 | K | 76.6 | Confident | 76.3 | Confident | 101 Ų | 101 | 82.2 Ų | 82.2 | 44% | 0.439 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59 | -43.1 | 173.8 | -81.2 | 174.5 | 179.4 | 176.6 | 0 | 112 | D21 N56 N62 | D21-K58 WeakPolarHBondContact OD1-CE 3.36Å; D21-K58 IonicContact OD1-NZ 2.63Å; D21-K58 PolarHBondContact OD1-NZ 3.28Å; D21-K58 IonicContact OD2-NZ 2.84Å; D21-K58 PolarHBondContact OD2-NZ 3.04Å; N56-K58 PolarHBondContact O-N 3.04Å; K58-N62 WeakPolarHBondContact O-CB 3.01Å; K58-N62 PolarHBondContact O-N 3.48Å; K58-N62 VanDerWaalsContact O-N 3.08Å; K58-N62 PolarHBondContact O-ND2 2.96Å; K58-N62 VanDerWaalsContact O-ND2 3.16Å |
| 59 | D | 80.1 | Confident | 74.4 | Confident | 78 Ų | 78 | 83 Ų | 83 | 42% | 0.417 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.7 | -38.4 | 178.1 | -65.1 | -31.5 | 0 | 0 | 0 | 111 | N56 M57 N62 N63 | N56-D59 HydrophobicContact CB-CB 3.91Å; N56-D59 WeakPolarHBondContact CB-OD2 3.01Å; N56-D59 PolarHBondContact ND2-OD2 2.9Å; N56-D59 PolarHBondContact O-N 3.48Å; M57-D59 VanDerWaalsContact C-N 3.32Å; M57-D59 PolarHBondContact O-N 3.26Å; D59-N62 PolarHBondContact O-N 3.1Å; D59-N63 WeakPolarHBondContact O-CB 2.99Å; D59-N63 VanDerWaalsContact O-CG 3.26Å; D59-N63 PolarHBondContact O-N 3.22Å; D59-N63 PolarHBondContact O-ND2 3.23Å |
| 60 | I | 76 | Confident | 72.3 | Confident | 76 Ų | 76 | 85.7 Ų | 85.7 | 39% | 0.39 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -50.3 | 176 | -65.3 | 176.3 | 0 | 0 | 0 | 109.9 | C55 N56 M57 N62 N63 I64 | C55-I60 HydrophobicContact CB-CD1 3.61Å; N56-I60 PolarHBondContact O-N 2.92Å; M57-I60 PolarHBondContact O-N 3.37Å; I60-N62 VanDerWaalsContact C-N 3.29Å; I60-N62 PolarHBondContact O-N 3.14Å; I60-N63 CarbonylContact O-C 3.53Å; I60-N63 PolarHBondContact O-N 2.93Å; I60-I64 HydrophobicContact CG2-CD1 4.13Å; I60-I64 HydrophobicContact CG2-CG1 4.05Å; I60-I64 WeakPolarHBondContact O-CG1 3.38Å; I60-I64 PolarHBondContact O-N 2.94Å |
| 61 | V | 76.8 | Confident | 70.5 | Confident | 78 Ų | 78 | 86.1 Ų | 86.1 | 47% | 0.473 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.4 | -41 | -179.4 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | L15 M57 | L15-V61 HydrophobicContact CD2-CG2 4.08Å; M57-V61 VanDerWaalsContact O-CG2 3.3Å; M57-V61 WeakPolarHBondContact O-CG2 3.39Å; M57-V61 PolarHBondContact O-N 3.32Å |
| 62 | N | 80.2 | Confident | 69.1 | Low | 117 Ų | 117 | 89.4 Ų | 89.4 | 63% | 0.626 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -72.4 | -31.2 | 178.5 | -69.9 | -22.9 | 0 | 0 | 0 | 113.5 | K58 D59 I60 | K58-N62 WeakPolarHBondContact O-CB 3.01Å; K58-N62 PolarHBondContact O-N 3.48Å; K58-N62 VanDerWaalsContact O-N 3.08Å; K58-N62 PolarHBondContact O-ND2 2.96Å; K58-N62 VanDerWaalsContact O-ND2 3.16Å; D59-N62 PolarHBondContact O-N 3.1Å; I60-N62 VanDerWaalsContact C-N 3.29Å; I60-N62 PolarHBondContact O-N 3.14Å |
| 63 | N | 76.8 | Confident | 67.6 | Low | 81 Ų | 81 | 92.6 Ų | 92.6 | 43% | 0.433 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -105.6 | 5.6 | -174.2 | -63.1 | -39.8 | 0 | 0 | 0 | 113.8 | D59 I60 S65 T66 | D59-N63 WeakPolarHBondContact O-CB 2.99Å; D59-N63 VanDerWaalsContact O-CG 3.26Å; D59-N63 PolarHBondContact O-N 3.22Å; D59-N63 PolarHBondContact O-ND2 3.23Å; I60-N63 CarbonylContact O-C 3.53Å; I60-N63 PolarHBondContact O-N 2.93Å; N63-S65 PolarHBondContact O-N 2.89Å; N63-S65 VanDerWaalsContact O-N 3.08Å; N63-T66 WeakPolarHBondContact CB-OG1 3.36Å; N63-T66 PolarHBondContact O-N 3.48Å; N63-T66 PolarHBondContact O-OG1 3.38Å |
| 64 | I | 74.7 | Confident | 66.1 | Low | 122 Ų | 122 | 89.9 Ų | 89.9 | 63% | 0.626 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.4 | -31.1 | 175.1 | -91.7 | 161 | 0 | 0 | 0 | 110.7 | I60 | I60-I64 HydrophobicContact CG2-CD1 4.13Å; I60-I64 HydrophobicContact CG2-CG1 4.05Å; I60-I64 WeakPolarHBondContact O-CG1 3.38Å; I60-I64 PolarHBondContact O-N 2.94Å |
| 65 | S | 66.7 | Low | 65.1 | Low | 94 Ų | 94 | 88.4 Ų | 88.4 | 66% | 0.657 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -19.7 | 176.6 | 77.2 | 0 | 0 | 0 | 0 | 114.5 | N63 | N63-S65 PolarHBondContact O-N 2.89Å; N63-S65 VanDerWaalsContact O-N 3.08Å |
| 66 | T | 58.7 | Low | 63.7 | Low | 61 Ų | 61 | 90.2 Ų | 90.2 | 37% | 0.374 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -84.1 | -15.8 | -173.2 | 61.3 | 0 | 0 | 0 | 0 | 112.7 | N63 V68 S70 | N63-T66 WeakPolarHBondContact CB-OG1 3.36Å; N63-T66 PolarHBondContact O-N 3.48Å; N63-T66 PolarHBondContact O-OG1 3.38Å; T66-V68 PolarHBondContact O-N 3.13Å; T66-S70 PolarHBondContact O-N 2.96Å |
| 67 | G | 57.8 | Low | 61.9 | Low | 70 Ų | 70 | 93.9 Ų | 93.9 | 72% | 0.722 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -75.4 | -10.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 68 | V | 55.5 | Low | 60.3 | Low | 145 Ų | 145 | 101.8 Ų | 101.8 | 88% | 0.879 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -109.8 | -2.5 | -177.9 | 172 | 0 | 0 | 0 | 0 | 113.7 | T66 | T66-V68 PolarHBondContact O-N 3.13Š|
| 69 | G | 48 | Very low | 58.6 | Low | 65 Ų | 65 | 101.7 Ų | 101.7 | 67% | 0.67 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 167.1 | 15.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | A71 | G69-A71 PolarHBondContact O-N 3.26Å; G69-A71 VanDerWaalsContact O-N 3.1Å |
| 70 | S | 45.8 | Very low | 56.8 | Low | 78 Ų | 78 | 103.9 Ų | 103.9 | 55% | 0.545 | 68% | 0.678 | S | S | . | * | trans | -86.3 | 77.3 | 167.4 | -69.5 | 0 | 0 | 0 | 0 | 109 | T66 | T66-S70 PolarHBondContact O-N 2.96Š| ||
| 71 | A | 48.9 | Very low | 55.1 | Low | 81 Ų | 81 | 106.1 Ų | 106.1 | 67% | 0.669 | 70% | 0.697 | S | S | * | * | trans | -50.4 | 137.9 | 152.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | G69 A73 | G69-A71 PolarHBondContact O-N 3.26Å; G69-A71 VanDerWaalsContact O-N 3.1Å; A71-A73 PolarHBondContact O-N 2.88Å | ||
| 72 | P | 56.7 | Low | 53.4 | Low | 123 Ų | 123 | 111.8 Ų | 111.8 | 80% | 0.799 | 72% | 0.718 | S | S | * | * | trans | -53.9 | 123.1 | 178.9 | 21.5 | -30.9 | 0 | 0 | 0 | 107.9 | A74 | P72-A74 VanDerWaalsContact C-N 3.29Å; P72-A74 PolarHBondContact O-N 2.63Å | ||
| 73 | A | 52.6 | Low | 51.2 | Low | 101 Ų | 101 | 115.2 Ų | 115.2 | 84% | 0.835 | 73% | 0.73 | S | S | * | * | trans | -56.6 | 102.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 106.4 | A71 | A71-A73 PolarHBondContact O-N 2.88Š| ||
| 74 | A | 49.6 | Very low | 49.4 | Very low | 83 Ų | 83 | 121.1 Ų | 121.1 | 69% | 0.686 | 75% | 0.752 | S | S | * | * | trans | -50.8 | 134.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | P72 A76 | P72-A74 VanDerWaalsContact C-N 3.29Å; P72-A74 PolarHBondContact O-N 2.63Å; A74-A76 PolarHBondContact O-N 3.25Å | ||
| 75 | P | 56.6 | Low | 47.7 | Very low | 122 Ų | 122 | 121 Ų | 121 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | trans | -55.8 | 120.2 | -179.4 | 22.5 | -31.1 | 0 | 0 | 0 | 107.5 | Q77 | P75-Q77 VanDerWaalsContact C-N 3.32Å; P75-Q77 PolarHBondContact O-N 2.91Å | ||
| 76 | A | 46 | Very low | 46.5 | Very low | 92 Ų | 92 | 120.7 Ų | 120.7 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | trans | -53.8 | 103.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | A74 Q78 | A74-A76 PolarHBondContact O-N 3.25Å; A76-Q78 VanDerWaalsContact C-N 3.3Å; A76-Q78 PolarHBondContact O-N 3.11Å | ||
| 77 | Q | 39.8 | Very low | 45.7 | Very low | 188 Ų | 188 | 123.3 Ų | 123.3 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | trans | -64.6 | 98.2 | 177.2 | -161.1 | 164.4 | -5.8 | 0 | 0 | 105.7 | P75 A79 | P75-Q77 VanDerWaalsContact C-N 3.32Å; P75-Q77 PolarHBondContact O-N 2.91Å; Q77-A79 VanDerWaalsContact C-N 3.25Å; Q77-A79 PolarHBondContact O-N 2.83Å | ||
| 78 | Q | 43.3 | Very low | 44.9 | Very low | 182 Ų | 182 | 129.7 Ų | 129.7 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | trans | -62.6 | 95.3 | 168.9 | -85.3 | -178.9 | -11.7 | 0 | 0 | 107 | A76 V80 | A76-Q78 VanDerWaalsContact C-N 3.3Å; A76-Q78 PolarHBondContact O-N 3.11Å; Q78-V80 PolarHBondContact O-N 2.94Å | ||
| 79 | A | 39.5 | Very low | 44.4 | Very low | 98 Ų | 98 | 128.3 Ų | 128.3 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -71.8 | 104.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | Q77 | Q77-A79 VanDerWaalsContact C-N 3.25Å; Q77-A79 PolarHBondContact O-N 2.83Å | ||
| 80 | V | 42.3 | Very low | 44 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 76% | 0.758 | 79% | 0.792 | S | S | * | * | trans | -129.9 | 130.6 | 157.2 | -176 | 0 | 0 | 0 | 0 | 107 | Q78 | Q78-V80 PolarHBondContact O-N 2.94Š| ||
| 81 | P | 41.4 | Very low | 43.8 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | trans | -91.9 | 132.6 | -154.7 | 34.9 | -30.5 | 0 | 0 | 0 | 111.8 | ||||
| 82 | E | 39.8 | Very low | 43.6 | Very low | 198 Ų | 198 | 137 Ų | 137 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | trans | -119.9 | 99 | 161.3 | -92.7 | -168 | 155.7 | 0 | 0 | 110.8 | K84 | E82-K84 PolarHBondContact O-N 3.45Š| ||
| 83 | E | 34.1 | Very low | 42.6 | Very low | 188 Ų | 188 | 139.6 Ų | 139.6 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | -12.2 | 110.2 | 144.9 | -165.4 | 175.6 | -155.4 | 0 | 0 | 116.1 | ||||
| 84 | K | 40.5 | Very low | 42.3 | Very low | 205 Ų | 205 | 145 Ų | 145 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | trans | -167.5 | 127.5 | 138.7 | -109.8 | 163 | -172.3 | 170.8 | 0 | 113.6 | E82 | E82-K84 PolarHBondContact O-N 3.45Š| ||
| 85 | S | 37.6 | Very low | 41.9 | Very low | 121 Ų | 121 | 150.6 Ų | 150.6 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | trans | 79.4 | 107.8 | 154.9 | -159.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 86 | A | 41.4 | Very low | 41.4 | Very low | 86 Ų | 86 | 150 Ų | 150 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | trans | -70.9 | -167.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 87 | P | 42.8 | Very low | 41.2 | Very low | 117 Ų | 117 | 151.7 Ų | 151.7 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | -129.6 | 159.7 | -80 | 37.7 | -21.9 | 0 | 0 | 0 | 112.9 | |||||
| 88 | K | 40.6 | Very low | 40.9 | Very low | 203 Ų | 203 | 151.1 Ų | 151.1 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | 175.8 | 153.3 | 128.1 | -103.7 | -174.6 | 173.3 | 173.2 | 0 | 113.6 | |||||
| 89 | P | 44.9 | Very low | 41 | Very low | 116 Ų | 116 | 151 Ų | 151 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | trans | -103.1 | 159.5 | -160.8 | 40.7 | -34.1 | 0 | 0 | 0 | 113.6 | ||||
| 90 | A | 39 | Very low | 41.2 | Very low | 99 Ų | 99 | 154.3 Ų | 154.3 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | 169 | 128.6 | 136.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 91 | K | 43.6 | Very low | 40.9 | Very low | 172 Ų | 172 | 157.3 Ų | 157.3 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | 144.6 | 123.3 | 112.4 | -130.9 | -178.3 | -176.2 | -125 | 0 | 112.9 | |||||
| 92 | E | 43.2 | Very low | 41.4 | Very low | 136 Ų | 136 | 155.5 Ų | 155.5 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | trans | 50.5 | 110.3 | 143.6 | -75.4 | 167.9 | 146.8 | 0 | 0 | 118.3 | ||||
| 93 | E | 36.9 | Very low | 42.1 | Very low | 177 Ų | 177 | 152.9 Ų | 152.9 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | 62 | 97.6 | 69 | -159 | 177.2 | -160.9 | 0 | 0 | 112.9 | |||||
| 94 | K | 45.4 | Very low | 43.2 | Very low | 214 Ų | 214 | 152.5 Ų | 152.5 | 93% | 0.93 | 79% | 0.794 | S | S | * | * | trans | -168.4 | 137.4 | 132.1 | -105.8 | 168.2 | -174.4 | 178.2 | 0 | 113.3 | ||||
| 95 | K | 40.4 | Very low | 44.3 | Very low | 202 Ų | 202 | 150.5 Ų | 150.5 | 88% | 0.878 | 79% | 0.788 | S | S | * | * | trans | -76.3 | 173.2 | -174.6 | -111.2 | -178.1 | 174.5 | 174.4 | 0 | 113.5 | ||||
| 96 | P | 46.3 | Very low | 45.7 | Very low | 110 Ų | 110 | 153.5 Ų | 153.5 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | trans | -89.9 | 157.5 | -167.9 | 38.7 | -35.4 | 0 | 0 | 0 | 113.8 | ||||
| 97 | V | 41.8 | Very low | 46.9 | Very low | 127 Ų | 127 | 152.2 Ų | 152.2 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | trans | -163 | 110.9 | 162.1 | -175.3 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 98 | E | 33.5 | Very low | 48.1 | Very low | 176 Ų | 176 | 155.8 Ų | 155.8 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | 65.7 | 109.3 | 79.5 | -151 | 174.8 | -138.2 | 0 | 0 | 111.9 | |||||
| 99 | E | 47 | Very low | 49.4 | Very low | 179 Ų | 179 | 151.8 Ų | 151.8 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -163.2 | 104.2 | 153.5 | -113.1 | 165.8 | -156.4 | 0 | 0 | 110.4 | ||||
| 100 | E | 41.8 | Very low | 50.8 | Low | 167 Ų | 167 | 152.6 Ų | 152.6 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | trans | 77.8 | 84.4 | 136.8 | -63.3 | -174.6 | 164.6 | 0 | 0 | 120.4 | S102 | E100-S102 VanDerWaalsContact C-N 3.32Å; E100-S102 PolarHBondContact O-N 3.08Å | ||
| 101 | E | 37.3 | Very low | 52.4 | Low | 189 Ų | 189 | 157.7 Ų | 157.7 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | -56.8 | 96.4 | 129.5 | -75.9 | -178.8 | 152.6 | 0 | 0 | 109.4 | D103 | E101-D103 VanDerWaalsContact C-N 3.33Å; E101-D103 PolarHBondContact O-N 3.06Å | |||
| 102 | S | 51 | Low | 53.2 | Low | 84 Ų | 84 | 156.3 Ų | 156.3 | 59% | 0.587 | 82% | 0.823 | S | S | * | * | trans | -88.3 | 76.1 | 160.4 | -175.2 | 0 | 0 | 0 | 0 | 108.3 | E100 | E100-S102 VanDerWaalsContact C-N 3.32Å; E100-S102 PolarHBondContact O-N 3.08Å | ||
| 103 | D | 54.2 | Low | 53.7 | Low | 142 Ų | 142 | 157.3 Ų | 157.3 | 76% | 0.759 | 83% | 0.832 | S | S | * | * | trans | -103.9 | 16.6 | 177.9 | -147.2 | 4.3 | 0 | 0 | 0 | 112.2 | E101 | E101-D103 VanDerWaalsContact C-N 3.33Å; E101-D103 PolarHBondContact O-N 3.06Å | ||
| 104 | E | 58 | Low | 54.6 | Low | 180 Ų | 180 | 156.3 Ų | 156.3 | 84% | 0.841 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -115.8 | -5 | -178.8 | -67.8 | -171.7 | 163.7 | 0 | 0 | 114.5 | ||
| 105 | E | 62.9 | Low | 55.1 | Low | 164 Ų | 164 | 153.1 Ų | 153.1 | 77% | 0.766 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -107.9 | -10.5 | -175.6 | -161 | 139.3 | -156.5 | 0 | 0 | 115 | ||
| 106 | M | 67.5 | Low | 55.9 | Low | 184 Ų | 184 | 150.2 Ų | 150.2 | 91% | 0.906 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -92.4 | -0.1 | 169.6 | -68.2 | -167.9 | -167 | 0 | 0 | 114 | ||
| 107 | G | 66.2 | Low | 56.5 | Low | 59 Ų | 59 | 152.7 Ų | 152.7 | 61% | 0.608 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -100.8 | -15 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 108 | F | 67.8 | Low | 57.5 | Low | 192 Ų | 192 | 154.4 Ų | 154.4 | 84% | 0.842 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -109.5 | 3.8 | -171.6 | -97.9 | -85.9 | 0 | 0 | 0 | 116 | ||
| 109 | S | 68.5 | Low | 59.2 | Low | 119 Ų | 119 | 152.9 Ų | 152.9 | 83% | 0.832 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -116.3 | 10.8 | 177.5 | -66.2 | 0 | 0 | 0 | 0 | 115 | ||
| 110 | L | 75 | Confident | 60.2 | Low | 133 Ų | 133 | 150.8 Ų | 150.8 | 70% | 0.696 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -105.6 | -11.2 | -179.7 | -167.1 | 55.7 | 0 | 0 | 0 | 114.4 | ||
| 111 | F | 71.3 | Confident | 61.7 | Low | 206 Ų | 206 | 149.5 Ų | 149.5 | 90% | 0.904 | 84% | 0.841 | S | S | * | * | trans | -146 | 30 | -178 | -76.2 | -80.4 | 0 | 0 | 0 | 114.5 | ||||
| 112 | G | 60.8 | Low | 63.9 | Low | 142 Ų | 142 | 145.9 Ų | 145.9 | 100% | 1.464 | 84% | 0.837 | S | S | * | * | trans | -113.9 | 0 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 |
Retrieved 112 of 112 residues in 53.2 ms
(Link to these results)