| 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 | 91.4 | Very high | 93.9 | Very high | 169 Ų | 169 | 85.7 Ų | 85.7 | 83% | 0.833 | 48% | 0.476 | S | S | * | . | 0 | 145.6 | 0 | 179.3 | -175.7 | -74.2 | 0 | 0 | 108.4 | S11 L12 | M1-S11 CarbonylContact O-C 3.48Å; M1-S11 WeakPolarHBondContact O-CA 3.3Å; M1-L12 HydrophobicContact CB-CB 4.24Å; M1-L12 PolarHBondContact N-O 3.49Å; M1-L12 PolarHBondContact O-N 2.93Å | |||
| 2 | Y | 93.6 | Very high | 94.1 | Very high | 141 Ų | 141 | 83.1 Ų | 83.1 | 55% | 0.553 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 135.7 | 177 | 178.2 | -91 | 0 | 0 | 0 | 110 | N9 I10 | Y2-N9 HydrophobicContact CE2-CB 4.03Å; Y2-N9 PolarHBondContact OH-OD1 2.98Å; Y2-I10 CarbonylContact C-O 3.55Å; Y2-I10 WeakPolarHBondContact CA-O 3.46Å |
| 3 | V | 94.4 | Very high | 94.2 | Very high | 61 Ų | 61 | 81.9 Ų | 81.9 | 37% | 0.37 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 139.4 | 175.2 | -171.6 | 0 | 0 | 0 | 0 | 107.8 | L5 I10 | V3-L5 HydrophobicContact CG1-CD1 4.33Å; V3-L5 HydrophobicContact CG1-CD2 3.93Å; V3-L5 HydrophobicContact CG1-CG 3.83Å; V3-I10 PolarHBondContact N-O 3.27Å; V3-I10 PolarHBondContact O-N 3.49Å; V3-I10 VanDerWaalsContact O-O 3.11Å |
| 4 | S | 93 | Very high | 94.2 | Very high | 66 Ų | 66 | 83.8 Ų | 83.8 | 46% | 0.462 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 125.3 | 169.4 | -167.9 | 0 | 0 | 0 | 0 | 108.5 | V8 N9 | S4-V8 WeakPolarHBondContact CA-O 3.33Å; S4-N9 PolarHBondContact OG-OD1 3.27Å |
| 5 | L | 90.6 | Very high | 94.2 | Very high | 97 Ų | 97 | 85.6 Ų | 85.6 | 51% | 0.508 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 120.4 | -179.8 | -61.7 | 176.4 | 0 | 0 | 0 | 108.7 | V3 G7 V8 I10 | V3-L5 HydrophobicContact CG1-CD1 4.33Å; V3-L5 HydrophobicContact CG1-CD2 3.93Å; V3-L5 HydrophobicContact CG1-CG 3.83Å; L5-G7 VanDerWaalsContact C-N 3.26Å; L5-G7 PolarHBondContact O-N 2.73Å; L5-G7 VanDerWaalsContact O-N 3.08Å; L5-V8 PolarHBondContact N-O 3.13Å; L5-V8 WeakPolarHBondContact O-CA 3.47Å; L5-V8 WeakPolarHBondContact O-CB 3.33Å; L5-V8 PolarHBondContact O-N 3.41Å; L5-I10 HydrophobicContact CD1-CD1 4.07Å |
| 6 | D | 91.2 | Very high | 94.2 | Very high | 177 Ų | 177 | 86.8 Ų | 86.8 | 95% | 0.947 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.1 | 43.9 | 170.7 | -60.9 | -22.8 | 0 | 0 | 0 | 115 | V8 | D6-V8 VanDerWaalsContact C-N 3.3Å; D6-V8 PolarHBondContact O-N 3.37Å |
| 7 | G | 91.5 | Very high | 94.4 | Very high | 49 Ų | 49 | 85 Ų | 85 | 51% | 0.505 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | 12.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L5 | L5-G7 VanDerWaalsContact C-N 3.26Å; L5-G7 PolarHBondContact O-N 2.73Å; L5-G7 VanDerWaalsContact O-N 3.08Å |
| 8 | V | 95.5 | Very high | 94.6 | Very high | 44 Ų | 44 | 82.4 Ų | 82.4 | 27% | 0.267 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 118.2 | 170.5 | -168.8 | 0 | 0 | 0 | 0 | 109.5 | S4 L5 D6 I10 M20 E21 N22 | S4-V8 WeakPolarHBondContact CA-O 3.33Å; L5-V8 PolarHBondContact N-O 3.13Å; L5-V8 WeakPolarHBondContact O-CA 3.47Å; L5-V8 WeakPolarHBondContact O-CB 3.33Å; L5-V8 PolarHBondContact O-N 3.41Å; D6-V8 VanDerWaalsContact C-N 3.3Å; D6-V8 PolarHBondContact O-N 3.37Å; V8-I10 HydrophobicContact CG1-CG1 4.05Å; V8-M20 HydrophobicContact CG1-CB 4.38Å; V8-E21 CarbonylContact C-O 3.55Å; V8-E21 WeakPolarHBondContact CA-O 3.5Å; V8-N22 HydrophobicContact CG2-CB 4.07Å |
| 9 | N | 96.7 | Very high | 94.7 | Very high | 54 Ų | 54 | 79.6 Ų | 79.6 | 29% | 0.289 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 118.4 | 171.4 | -64.6 | -25.5 | 0 | 0 | 0 | 109.1 | Y2 S4 M20 E21 | Y2-N9 HydrophobicContact CE2-CB 4.03Å; Y2-N9 PolarHBondContact OH-OD1 2.98Å; S4-N9 PolarHBondContact OG-OD1 3.27Å; N9-M20 CarbonylContact O-C 3.59Å; N9-M20 WeakPolarHBondContact O-CA 3.17Å; N9-E21 HydrophobicContact CB-CB 4.45Å; N9-E21 PolarHBondContact N-O 2.69Å; N9-E21 PolarHBondContact O-N 3.23Å |
| 10 | I | 97.5 | Very high | 94.9 | Very high | 46 Ų | 46 | 78.6 Ų | 78.6 | 24% | 0.236 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 120.5 | -179.8 | -54.7 | 173.2 | 0 | 0 | 0 | 107.6 | Y2 V3 L5 V8 L18 T19 M20 | Y2-I10 CarbonylContact C-O 3.55Å; Y2-I10 WeakPolarHBondContact CA-O 3.46Å; V3-I10 PolarHBondContact N-O 3.27Å; V3-I10 PolarHBondContact O-N 3.49Å; V3-I10 VanDerWaalsContact O-O 3.11Å; L5-I10 HydrophobicContact CD1-CD1 4.07Å; V8-I10 HydrophobicContact CG1-CG1 4.05Å; I10-L18 HydrophobicContact CG2-CD1 3.72Å; I10-T19 CarbonylContact C-O 3.52Å; I10-T19 WeakPolarHBondContact CA-O 3.35Å; I10-M20 HydrophobicContact CG1-CG 4.24Å; I10-M20 HydrophobicContact CG2-CG 4.26Å |
| 11 | S | 97.4 | Very high | 95 | Very high | 39 Ų | 39 | 78.9 Ų | 78.9 | 27% | 0.273 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 144 | 178.9 | 66.3 | 0 | 0 | 0 | 0 | 111.3 | M1 L18 T19 | M1-S11 CarbonylContact O-C 3.48Å; M1-S11 WeakPolarHBondContact O-CA 3.3Å; S11-L18 CarbonylContact O-C 3.56Å; S11-L18 WeakPolarHBondContact O-CA 3.43Å; S11-T19 PolarHBondContact N-O 3.11Å; S11-T19 PolarHBondContact O-N 2.85Å |
| 12 | L | 96.6 | Very high | 95.1 | Very high | 54 Ų | 54 | 74 Ų | 74 | 28% | 0.283 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 118.9 | 171.4 | 178.5 | 64.2 | 0 | 0 | 0 | 107.9 | M1 L18 L31 | M1-L12 HydrophobicContact CB-CB 4.24Å; M1-L12 PolarHBondContact N-O 3.49Å; M1-L12 PolarHBondContact O-N 2.93Å; L12-L18 HydrophobicContact CD1-CB 4.43Å; L12-L31 HydrophobicContact CD1-CD1 3.84Å |
| 13 | N | 94.7 | Very high | 94.9 | Very high | 68 Ų | 68 | 76.3 Ų | 76.3 | 36% | 0.364 | 42% | 0.417 | S | S | . | . | trans | -89.2 | 175.3 | 179.7 | 75 | 15.1 | 0 | 0 | 0 | 112.4 | N15 H16 I17 | N13-N15 PolarHBondContact O-N 2.99Å; N13-N15 WeakPolarHBondContact OD1-CA 3.11Å; N13-N15 WeakPolarHBondContact OD1-CB 3.24Å; N13-N15 PolarHBondContact OD1-N 3.25Å; N13-H16 PolarHBondContact O-N 3.42Å; N13-H16 VanDerWaalsContact O-N 3.13Å; N13-H16 PolarHBondContact OD1-N 2.93Å; N13-I17 PolarHBondContact N-O 3.42Å; N13-I17 VanDerWaalsContact N-O 3.14Å; N13-I17 PolarHBondContact OD1-N 2.97Å | ||
| 14 | S | 94.6 | Very high | 94.8 | Very high | 108 Ų | 108 | 78 Ų | 78 | 76% | 0.755 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -18.5 | 179.7 | 55.8 | 0 | 0 | 0 | 0 | 114.1 | H16 | S14-H16 PolarHBondContact O-N 3.28Š|
| 15 | N | 94 | Very high | 95 | Very high | 111 Ų | 111 | 76.3 Ų | 76.3 | 59% | 0.594 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 12 | 178.2 | -61.5 | -14 | 0 | 0 | 0 | 111.9 | N13 I17 | N13-N15 PolarHBondContact O-N 2.99Å; N13-N15 WeakPolarHBondContact OD1-CA 3.11Å; N13-N15 WeakPolarHBondContact OD1-CB 3.24Å; N13-N15 PolarHBondContact OD1-N 3.25Å; N15-I17 HydrophobicContact CB-CG1 4.34Å; N15-I17 PolarHBondContact O-N 3.43Å |
| 16 | H | 94.5 | Very high | 95.3 | Very high | 104 Ų | 104 | 73.8 Ų | 73.8 | 48% | 0.481 | 40% | 0.397 | S | S | . | . | trans | 60.5 | 27.6 | -176.1 | -52.8 | 85.8 | 0 | 0 | 0 | 113.2 | N13 S14 L31 | N13-H16 PolarHBondContact O-N 3.42Å; N13-H16 VanDerWaalsContact O-N 3.13Å; N13-H16 PolarHBondContact OD1-N 2.93Å; S14-H16 PolarHBondContact O-N 3.28Å; H16-L31 HydrophobicContact CB-CB 4.25Å; H16-L31 WeakPolarHBondContact O-CA 3.31Å; H16-L31 VanDerWaalsContact O-CB 3.24Å; H16-L31 WeakPolarHBondContact O-CB 3.3Å; H16-L31 PolarHBondContact O-N 2.05Å | ||
| 17 | I | 97.4 | Very high | 95.6 | Very high | 57 Ų | 57 | 67 Ų | 67 | 29% | 0.292 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 119.5 | 171.9 | -55.9 | 180 | 0 | 0 | 0 | 108.3 | N13 N15 | N13-I17 PolarHBondContact N-O 3.42Å; N13-I17 VanDerWaalsContact N-O 3.14Å; N13-I17 PolarHBondContact OD1-N 2.97Å; N15-I17 HydrophobicContact CB-CG1 4.34Å; N15-I17 PolarHBondContact O-N 3.43Å |
| 18 | L | 97.5 | Very high | 95.9 | Very high | 38 Ų | 38 | 66.4 Ų | 66.4 | 20% | 0.199 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 121 | 170 | -177.8 | 70.2 | 0 | 0 | 0 | 108.6 | I10 S11 L12 M20 T28 I29 L31 | I10-L18 HydrophobicContact CG2-CD1 3.72Å; S11-L18 CarbonylContact O-C 3.56Å; S11-L18 WeakPolarHBondContact O-CA 3.43Å; L12-L18 HydrophobicContact CD1-CB 4.43Å; L18-M20 HydrophobicContact CD2-SD 4.47Å; L18-M20 HydrophobicContact CG-CG 4.42Å; L18-T28 CarbonylContact O-C 3.53Å; L18-T28 VanDerWaalsContact O-CA 3.3Å; L18-T28 WeakPolarHBondContact O-CA 3.34Å; L18-I29 PolarHBondContact N-O 2.93Å; L18-I29 PolarHBondContact O-N 3.42Å; L18-L31 HydrophobicContact CB-CD1 3.95Å; L18-L31 HydrophobicContact CB-CD2 4.42Å; L18-L31 HydrophobicContact CB-CG 4.02Å |
| 19 | T | 97.9 | Very high | 96 | Very high | 30 Ų | 30 | 67 Ų | 67 | 18% | 0.184 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 126.2 | 173.6 | -57.8 | 0 | 0 | 0 | 0 | 109.1 | I10 S11 T26 T27 T28 | I10-T19 CarbonylContact C-O 3.52Å; I10-T19 WeakPolarHBondContact CA-O 3.35Å; S11-T19 PolarHBondContact N-O 3.11Å; S11-T19 PolarHBondContact O-N 2.85Å; T19-T26 HydrophobicContact CG2-CG2 3.75Å; T19-T27 CarbonylContact C-O 3.43Å; T19-T27 VanDerWaalsContact CA-O 3.31Å; T19-T27 WeakPolarHBondContact CA-O 3.29Å; T19-T28 HydrophobicContact CG2-CG2 4.28Å |
| 20 | M | 97.5 | Very high | 96 | Very high | 59 Ų | 59 | 65.7 Ų | 65.7 | 29% | 0.291 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 116 | 172.4 | -60.2 | 176.6 | -69.6 | 0 | 0 | 108.2 | V8 N9 I10 L18 T27 I29 | V8-M20 HydrophobicContact CG1-CB 4.38Å; N9-M20 CarbonylContact O-C 3.59Å; N9-M20 WeakPolarHBondContact O-CA 3.17Å; I10-M20 HydrophobicContact CG1-CG 4.24Å; I10-M20 HydrophobicContact CG2-CG 4.26Å; L18-M20 HydrophobicContact CD2-SD 4.47Å; L18-M20 HydrophobicContact CG-CG 4.42Å; M20-T27 HydrophobicContact CE-CG2 3.87Å; M20-T27 PolarHBondContact N-O 2.93Å; M20-T27 PolarHBondContact O-N 2.83Å; M20-I29 HydrophobicContact CE-CD1 3.99Å |
| 21 | E | 96.7 | Very high | 95.9 | Very high | 85 Ų | 85 | 67.2 Ų | 67.2 | 40% | 0.397 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 123.7 | -177.2 | 179.3 | 179 | -175.1 | 0 | 0 | 109.6 | V8 N9 C25 T26 | V8-E21 CarbonylContact C-O 3.55Å; V8-E21 WeakPolarHBondContact CA-O 3.5Å; N9-E21 HydrophobicContact CB-CB 4.45Å; N9-E21 PolarHBondContact N-O 2.69Å; N9-E21 PolarHBondContact O-N 3.23Å; E21-C25 WeakPolarHBondContact CA-O 3.09Å; E21-T26 HydrophobicContact CB-CG2 4.49Å |
| 22 | N | 94.2 | Very high | 95.6 | Very high | 65 Ų | 65 | 69.3 Ų | 69.3 | 35% | 0.348 | 37% | 0.365 | S | S | . | . | trans | -113.6 | -175.3 | 165.8 | 69.6 | 30.8 | 0 | 0 | 0 | 109.5 | V8 H24 C25 | V8-N22 HydrophobicContact CG2-CB 4.07Å; N22-H24 PolarHBondContact O-N 3.16Å; N22-H24 WeakPolarHBondContact OD1-CA 3.25Å; N22-H24 PolarHBondContact OD1-N 2.93Å; N22-C25 PolarHBondContact N-O 2.75Å; N22-C25 PolarHBondContact OD1-N 2.73Å; N22-C25 PolarHBondContact OD1-O 2.95Å | ||
| 23 | R | 90.5 | Very high | 95.4 | Very high | 191 Ų | 191 | 71.2 Ų | 71.2 | 72% | 0.721 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -55.1 | -24.9 | 179.7 | -69 | -171.9 | 179.9 | -162.6 | -0 | 114.2 | R53 | R23-R53 VanDerWaalsContact O-CD 3.31Å; R23-R53 WeakPolarHBondContact O-CD 3.22Å; R23-R53 PolarHBondContact O-NE 3.11Å; R23-R53 VanDerWaalsContact O-NE 3.16Å |
| 24 | H | 92.1 | Very high | 95.5 | Very high | 97 Ų | 97 | 71.3 Ų | 71.3 | 45% | 0.449 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -114.6 | -31.8 | -169 | -56.6 | -57 | 0 | 0 | 0 | 113.6 | N22 C52 R53 | N22-H24 PolarHBondContact O-N 3.16Å; N22-H24 WeakPolarHBondContact OD1-CA 3.25Å; N22-H24 PolarHBondContact OD1-N 2.93Å; H24-C52 CarbonylContact O-C 3.52Å; H24-C52 VanDerWaalsContact O-CA 3.32Å; H24-C52 WeakPolarHBondContact O-CA 3.25Å; H24-R53 WeakPolarHBondContact O-CB 3.24Å; H24-R53 WeakPolarHBondContact O-CG 3.37Å; H24-R53 PolarHBondContact O-N 3.36Å |
| 25 | C | 95.9 | Very high | 95.5 | Very high | 29 Ų | 29 | 70.4 Ų | 70.4 | 20% | 0.196 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 142 | -171.3 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | E21 N22 L51 C52 | E21-C25 WeakPolarHBondContact CA-O 3.09Å; N22-C25 PolarHBondContact N-O 2.75Å; N22-C25 PolarHBondContact OD1-N 2.73Å; N22-C25 PolarHBondContact OD1-O 2.95Å; C25-L51 CarbonylContact C-O 3.56Å; C25-L51 VanDerWaalsContact CA-O 3.29Å; C25-L51 WeakPolarHBondContact CA-O 2.97Å; C25-C52 HydrophobicContact CB-CB 4.12Å; C25-C52 WeakPolarHBondContact CB-SG 3.39Å; C25-C52 WeakPolarHBondContact SG-CB 3.41Å; C25-C52 CovalentContact SG-SG 2.05Å; C25-C52 PolarHBondContact SG-SG 3.1Å |
| 26 | T | 97.5 | Very high | 95.7 | Very high | 45 Ų | 45 | 73.3 Ų | 73.3 | 28% | 0.276 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 120.5 | 165.3 | -52.3 | 0 | 0 | 0 | 0 | 107.8 | T19 E21 T28 L51 | T19-T26 HydrophobicContact CG2-CG2 3.75Å; E21-T26 HydrophobicContact CB-CG2 4.49Å; T26-T28 HydrophobicContact CG2-CG2 4.49Å; T26-L51 PolarHBondContact N-O 2.84Å; T26-L51 PolarHBondContact O-N 3.22Å |
| 27 | T | 97.8 | Very high | 95.8 | Very high | 33 Ų | 33 | 74.7 Ų | 74.7 | 20% | 0.202 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 133.9 | 172.7 | -57.9 | 0 | 0 | 0 | 0 | 108.8 | T19 M20 I29 T49 V50 | T19-T27 CarbonylContact C-O 3.43Å; T19-T27 VanDerWaalsContact CA-O 3.31Å; T19-T27 WeakPolarHBondContact CA-O 3.29Å; M20-T27 HydrophobicContact CE-CG2 3.87Å; M20-T27 PolarHBondContact N-O 2.93Å; M20-T27 PolarHBondContact O-N 2.83Å; T27-I29 HydrophobicContact CG2-CD1 4.38Å; T27-I29 HydrophobicContact CG2-CG1 4.21Å; T27-T49 CarbonylContact C-O 3.55Å; T27-T49 VanDerWaalsContact CA-O 3.29Å; T27-T49 WeakPolarHBondContact CA-O 3.07Å; T27-V50 HydrophobicContact CG2-CG2 4.06Å |
| 28 | T | 97.8 | Very high | 95.8 | Very high | 37 Ų | 37 | 73.4 Ų | 73.4 | 23% | 0.227 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 140 | 171.2 | 71 | 0 | 0 | 0 | 0 | 109.7 | L18 T19 T26 G48 T49 | L18-T28 CarbonylContact O-C 3.53Å; L18-T28 VanDerWaalsContact O-CA 3.3Å; L18-T28 WeakPolarHBondContact O-CA 3.34Å; T19-T28 HydrophobicContact CG2-CG2 4.28Å; T26-T28 HydrophobicContact CG2-CG2 4.49Å; T28-G48 CarbonylContact O-C 3.51Å; T28-G48 WeakPolarHBondContact O-CA 3.43Å; T28-T49 PolarHBondContact N-O 2.67Å; T28-T49 PolarHBondContact O-N 3.3Å; T28-T49 PolarHBondContact OG1-N 3.34Å; T28-T49 PolarHBondContact OG1-OG1 3.39Å |
| 29 | I | 97.5 | Very high | 95.8 | Very high | 58 Ų | 58 | 76.8 Ų | 76.8 | 30% | 0.297 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 129 | 176.3 | -58.4 | 170.7 | 0 | 0 | 0 | 107.7 | L18 M20 T27 L31 R46 | L18-I29 PolarHBondContact N-O 2.93Å; L18-I29 PolarHBondContact O-N 3.42Å; M20-I29 HydrophobicContact CE-CD1 3.99Å; T27-I29 HydrophobicContact CG2-CD1 4.38Å; T27-I29 HydrophobicContact CG2-CG1 4.21Å; I29-L31 HydrophobicContact CG2-CD2 4.26Å; I29-R46 HydrophobicContact CG2-CB 4.17Å |
| 30 | S | 96.2 | Very high | 95.8 | Very high | 26 Ų | 26 | 79.1 Ų | 79.1 | 18% | 0.182 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 128 | 169.1 | -178 | 0 | 0 | 0 | 0 | 110.6 | T32 R46 E47 | S30-T32 PolarHBondContact OG-N 2.79Å; S30-T32 PolarHBondContact OG-OG1 3.29Å; S30-R46 VanDerWaalsContact O-CB 3.25Å; S30-R46 WeakPolarHBondContact O-CB 3.46Å; S30-R46 VanDerWaalsContact O-CD 3.25Å; S30-R46 WeakPolarHBondContact O-CD 3.32Å; S30-R46 VanDerWaalsContact O-CG 3.22Å; S30-R46 WeakPolarHBondContact O-CG 3.36Å; S30-E47 PolarHBondContact N-O 3.4Å |
| 31 | L | 94.6 | Very high | 95.9 | Very high | 77 Ų | 77 | 79.2 Ų | 79.2 | 40% | 0.403 | 43% | 0.426 | S | S | . | . | trans | -102.3 | 32.3 | 170.7 | -53.2 | -175.6 | 0 | 0 | 0 | 111.2 | L12 H16 L18 I29 S33 | L12-L31 HydrophobicContact CD1-CD1 3.84Å; H16-L31 HydrophobicContact CB-CB 4.25Å; H16-L31 WeakPolarHBondContact O-CA 3.31Å; H16-L31 VanDerWaalsContact O-CB 3.24Å; H16-L31 WeakPolarHBondContact O-CB 3.3Å; H16-L31 PolarHBondContact O-N 2.05Å; L18-L31 HydrophobicContact CB-CD1 3.95Å; L18-L31 HydrophobicContact CB-CD2 4.42Å; L18-L31 HydrophobicContact CB-CG 4.02Å; I29-L31 HydrophobicContact CG2-CD2 4.26Å; L31-S33 PolarHBondContact O-N 2.78Å | ||
| 32 | T | 91.7 | Very high | 95.8 | Very high | 84 Ų | 84 | 83.9 Ų | 83.9 | 52% | 0.515 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -51.5 | 135.3 | 172.6 | -55.6 | 0 | 0 | 0 | 0 | 110.3 | S30 R46 | S30-T32 PolarHBondContact OG-N 2.79Å; S30-T32 PolarHBondContact OG-OG1 3.29Å; T32-R46 PolarHBondContact O-NE 3.39Å; T32-R46 PolarHBondContact O-NH2 3.13Å; T32-R46 VanDerWaalsContact O-NH2 3.16Å |
| 33 | S | 93.6 | Very high | 95.9 | Very high | 93 Ų | 93 | 85 Ų | 85 | 65% | 0.65 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -52.5 | 142.5 | 177 | -59 | 0 | 0 | 0 | 0 | 111.3 | L31 | L31-S33 PolarHBondContact O-N 2.78Š|
| 34 | P | 95.2 | Very high | 96 | Very high | 70 Ų | 70 | 78 Ų | 78 | 46% | 0.455 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 143.9 | 178.2 | 29.2 | -34.9 | 0 | 0 | 0 | 111.8 | E38 I39 R46 | P34-E38 WeakPolarHBondContact CA-OE2 3.39Å; P34-E38 HydrophobicContact CB-CB 3.97Å; P34-I39 HydrophobicContact CB-CG1 3.98Å; P34-I39 HydrophobicContact CG-CD1 4.33Å; P34-I39 HydrophobicContact CG-CG1 3.91Å; P34-R46 VanDerWaalsContact CA-NH2 3.26Å |
| 35 | N | 95.3 | Very high | 96.1 | Very high | 89 Ų | 89 | 83.5 Ų | 83.5 | 48% | 0.476 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -81.8 | 170.9 | 171.6 | 69.8 | 47.4 | 0 | 0 | 0 | 111.1 | Q37 E38 I39 | N35-Q37 VanDerWaalsContact C-N 3.27Å; N35-Q37 PolarHBondContact O-N 2.86Å; N35-Q37 WeakPolarHBondContact OD1-CA 3.39Å; N35-Q37 WeakPolarHBondContact OD1-CB 3.45Å; N35-Q37 PolarHBondContact OD1-N 2.82Å; N35-E38 PolarHBondContact N-OE2 3.31Å; N35-E38 PolarHBondContact O-N 2.83Å; N35-E38 VanDerWaalsContact O-N 3.11Å; N35-E38 PolarHBondContact OD1-N 2.85Å; N35-I39 WeakPolarHBondContact O-CG1 3.29Å; N35-I39 PolarHBondContact O-N 3.13Å |
| 36 | E | 97.6 | Very high | 96 | Very high | 173 Ų | 173 | 86.2 Ų | 86.2 | 81% | 0.808 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -56.9 | -38.3 | -177.4 | -65.4 | -178.6 | 177 | 0 | 0 | 113.3 | I39 A40 | E36-I39 PolarHBondContact O-N 3.48Å; E36-A40 WeakPolarHBondContact O-CB 3.46Å; E36-A40 PolarHBondContact O-N 2.94Å |
| 37 | Q | 97.2 | Very high | 95.8 | Very high | 132 Ų | 132 | 92 Ų | 92 | 62% | 0.617 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.9 | -43.9 | 177.6 | -176.6 | 62.9 | 36.4 | 0 | 0 | 111.1 | N35 I39 A40 T41 | N35-Q37 VanDerWaalsContact C-N 3.27Å; N35-Q37 PolarHBondContact O-N 2.86Å; N35-Q37 WeakPolarHBondContact OD1-CA 3.39Å; N35-Q37 WeakPolarHBondContact OD1-CB 3.45Å; N35-Q37 PolarHBondContact OD1-N 2.82Å; Q37-I39 VanDerWaalsContact C-N 3.33Å; Q37-I39 PolarHBondContact O-N 2.87Å; Q37-A40 PolarHBondContact O-N 2.77Å; Q37-T41 WeakPolarHBondContact O-CG2 3.32Å; Q37-T41 PolarHBondContact O-N 2.74Å; Q37-T41 PolarHBondContact O-OG1 3.46Å; Q37-T41 VanDerWaalsContact O-OG1 3.13Å |
| 38 | E | 97.9 | Very high | 95.8 | Very high | 31 Ų | 31 | 92.5 Ų | 92.5 | 15% | 0.145 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -65.4 | -37.1 | 178 | -65.6 | -175.2 | 135 | 0 | 0 | 112.2 | P34 N35 Q42 T43 G44 Y45 R46 | P34-E38 WeakPolarHBondContact CA-OE2 3.39Å; P34-E38 HydrophobicContact CB-CB 3.97Å; N35-E38 PolarHBondContact N-OE2 3.31Å; N35-E38 PolarHBondContact O-N 2.83Å; N35-E38 VanDerWaalsContact O-N 3.11Å; N35-E38 PolarHBondContact OD1-N 2.85Å; E38-Q42 VanDerWaalsContact O-CA 3.3Å; E38-Q42 WeakPolarHBondContact O-CA 3.44Å; E38-Q42 PolarHBondContact O-N 2.82Å; E38-T43 VanDerWaalsContact CA-O 3.24Å; E38-T43 WeakPolarHBondContact CA-O 3.44Å; E38-T43 WeakPolarHBondContact CB-O 3.43Å; E38-T43 WeakPolarHBondContact CG-O 3.39Å; E38-T43 PolarHBondContact O-N 2.89Å; E38-G44 WeakPolarHBondContact OE1-CA 3.33Å; E38-Y45 PolarHBondContact OE1-N 3.49Å; E38-R46 VanDerWaalsContact CD-NH1 3.26Å; E38-R46 IonicContact OE1-CZ 3.72Å; E38-R46 IonicContact OE1-NH1 2.69Å; E38-R46 PolarHBondContact OE1-NH1 3.14Å; E38-R46 IonicContact OE1-NH2 3.88Å; E38-R46 IonicContact OE2-CZ 3.41Å; E38-R46 IonicContact OE2-NH1 3.11Å; E38-R46 PolarHBondContact OE2-NH1 2.94Å; E38-R46 VanDerWaalsContact OE2-NH1 3.11Å; E38-R46 IonicContact OE2-NH2 2.85Å; E38-R46 PolarHBondContact OE2-NH2 3.31Å |
| 39 | I | 97.9 | Very high | 95.8 | Very high | 109 Ų | 109 | 94.1 Ų | 94.1 | 56% | 0.559 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.2 | -46.1 | 173.9 | -65.9 | 167.5 | 0 | 0 | 0 | 109.9 | P34 N35 E36 Q37 T41 Q42 | P34-I39 HydrophobicContact CB-CG1 3.98Å; P34-I39 HydrophobicContact CG-CD1 4.33Å; P34-I39 HydrophobicContact CG-CG1 3.91Å; N35-I39 WeakPolarHBondContact O-CG1 3.29Å; N35-I39 PolarHBondContact O-N 3.13Å; E36-I39 PolarHBondContact O-N 3.48Å; Q37-I39 VanDerWaalsContact C-N 3.33Å; Q37-I39 PolarHBondContact O-N 2.87Å; I39-T41 PolarHBondContact O-N 2.82Å; I39-Q42 PolarHBondContact O-N 2.78Å |
| 40 | A | 97.9 | Very high | 95.8 | Very high | 78 Ų | 78 | 96 Ų | 96 | 65% | 0.645 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.4 | -37.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E36 Q37 | E36-A40 WeakPolarHBondContact O-CB 3.46Å; E36-A40 PolarHBondContact O-N 2.94Å; Q37-A40 PolarHBondContact O-N 2.77Å |
| 41 | T | 98 | Very high | 95.8 | Very high | 62 Ų | 62 | 100.6 Ų | 100.6 | 38% | 0.38 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -91.3 | -10.7 | 179.7 | 62.9 | 0 | 0 | 0 | 0 | 113.8 | Q37 I39 T43 | Q37-T41 WeakPolarHBondContact O-CG2 3.32Å; Q37-T41 PolarHBondContact O-N 2.74Å; Q37-T41 PolarHBondContact O-OG1 3.46Å; Q37-T41 VanDerWaalsContact O-OG1 3.13Å; I39-T41 PolarHBondContact O-N 2.82Å; T41-T43 WeakPolarHBondContact CB-OG1 3.38Å; T41-T43 PolarHBondContact O-N 3.01Å; T41-T43 PolarHBondContact OG1-N 2.93Å; T41-T43 PolarHBondContact OG1-O 2.81Å; T41-T43 PolarHBondContact OG1-OG1 3.04Å |
| 42 | Q | 95.9 | Very high | 95.8 | Very high | 182 Ų | 182 | 100.5 Ų | 100.5 | 85% | 0.85 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55.9 | 28.9 | -169.7 | -55 | -174.9 | -17.4 | 0 | 0 | 113.2 | E38 I39 | E38-Q42 VanDerWaalsContact O-CA 3.3Å; E38-Q42 WeakPolarHBondContact O-CA 3.44Å; E38-Q42 PolarHBondContact O-N 2.82Å; I39-Q42 PolarHBondContact O-N 2.78Å |
| 43 | T | 95.1 | Very high | 95.8 | Very high | 89 Ų | 89 | 102.4 Ų | 102.4 | 55% | 0.546 | 55% | 0.552 | S | S | . | * | trans | -135.7 | 143.2 | 179.6 | 63.8 | 0 | 0 | 0 | 0 | 109.8 | E38 T41 | E38-T43 VanDerWaalsContact CA-O 3.24Å; E38-T43 WeakPolarHBondContact CA-O 3.44Å; E38-T43 WeakPolarHBondContact CB-O 3.43Å; E38-T43 WeakPolarHBondContact CG-O 3.39Å; E38-T43 PolarHBondContact O-N 2.89Å; T41-T43 WeakPolarHBondContact CB-OG1 3.38Å; T41-T43 PolarHBondContact O-N 3.01Å; T41-T43 PolarHBondContact OG1-N 2.93Å; T41-T43 PolarHBondContact OG1-O 2.81Å; T41-T43 PolarHBondContact OG1-OG1 3.04Å | ||
| 44 | G | 93.5 | Very high | 95.7 | Very high | 43 Ų | 43 | 101.3 Ų | 101.3 | 44% | 0.443 | 54% | 0.544 | S | S | . | . | trans | -162.1 | 162.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | E38 | E38-G44 WeakPolarHBondContact OE1-CA 3.33Š| ||
| 45 | Y | 93.7 | Very high | 95.1 | Very high | 213 Ų | 213 | 105 Ų | 105 | 84% | 0.835 | 56% | 0.556 | S | S | * | * | trans | -120.1 | 145.8 | 174.2 | -64.5 | -84.8 | 0 | 0 | 0 | 108.8 | E38 | E38-Y45 PolarHBondContact OE1-N 3.49Š| ||
| 46 | R | 94.6 | Very high | 94.4 | Very high | 87 Ų | 87 | 107.6 Ų | 107.6 | 33% | 0.328 | 57% | 0.569 | S | S | . | * | trans | -122.5 | 132.8 | 175.7 | -65.1 | -64 | 174.7 | -89.2 | 7.7 | 108.4 | I29 S30 T32 P34 E38 | I29-R46 HydrophobicContact CG2-CB 4.17Å; S30-R46 VanDerWaalsContact O-CB 3.25Å; S30-R46 WeakPolarHBondContact O-CB 3.46Å; S30-R46 VanDerWaalsContact O-CD 3.25Å; S30-R46 WeakPolarHBondContact O-CD 3.32Å; S30-R46 VanDerWaalsContact O-CG 3.22Å; S30-R46 WeakPolarHBondContact O-CG 3.36Å; T32-R46 PolarHBondContact O-NE 3.39Å; T32-R46 PolarHBondContact O-NH2 3.13Å; T32-R46 VanDerWaalsContact O-NH2 3.16Å; P34-R46 VanDerWaalsContact CA-NH2 3.26Å; E38-R46 VanDerWaalsContact CD-NH1 3.26Å; E38-R46 IonicContact OE1-CZ 3.72Å; E38-R46 IonicContact OE1-NH1 2.69Å; E38-R46 PolarHBondContact OE1-NH1 3.14Å; E38-R46 IonicContact OE1-NH2 3.88Å; E38-R46 IonicContact OE2-CZ 3.41Å; E38-R46 IonicContact OE2-NH1 3.11Å; E38-R46 PolarHBondContact OE2-NH1 2.94Å; E38-R46 VanDerWaalsContact OE2-NH1 3.11Å; E38-R46 IonicContact OE2-NH2 2.85Å; E38-R46 PolarHBondContact OE2-NH2 3.31Å | ||
| 47 | E | 93.9 | Very high | 93.4 | Very high | 167 Ų | 167 | 101.1 Ų | 101.1 | 78% | 0.78 | 54% | 0.542 | S | S | * | . | trans | -62.5 | 141.4 | 170.8 | -70 | -63.4 | 154.4 | 0 | 0 | 109.6 | S30 | S30-E47 PolarHBondContact N-O 3.4Š| ||
| 48 | G | 96.4 | Very high | 92 | Very high | 43 Ų | 43 | 99.6 Ų | 99.6 | 44% | 0.443 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 160.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | T28 | T28-G48 CarbonylContact O-C 3.51Å; T28-G48 WeakPolarHBondContact O-CA 3.43Å |
| 49 | T | 97.7 | Very high | 90.5 | Very high | 70 Ų | 70 | 107 Ų | 107 | 43% | 0.429 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.9 | 148.8 | 176.5 | 65.4 | 0 | 0 | 0 | 0 | 110.2 | T27 T28 | T27-T49 CarbonylContact C-O 3.55Å; T27-T49 VanDerWaalsContact CA-O 3.29Å; T27-T49 WeakPolarHBondContact CA-O 3.07Å; T28-T49 PolarHBondContact N-O 2.67Å; T28-T49 PolarHBondContact O-N 3.3Å; T28-T49 PolarHBondContact OG1-N 3.34Å; T28-T49 PolarHBondContact OG1-OG1 3.39Å |
| 50 | V | 97.5 | Very high | 89.1 | Confident | 97 Ų | 97 | 105.2 Ų | 105.2 | 59% | 0.588 | 56% | 0.556 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -124.5 | 115.9 | 168.7 | -179.7 | 0 | 0 | 0 | 0 | 106.9 | T27 | T27-V50 HydrophobicContact CG2-CG2 4.06Å |
| 51 | L | 96.7 | Very high | 87.4 | Confident | 123 Ų | 123 | 105.9 Ų | 105.9 | 64% | 0.644 | 55% | 0.546 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 108.3 | 176.3 | -65 | 177.5 | 0 | 0 | 0 | 108.1 | C25 T26 | C25-L51 CarbonylContact C-O 3.56Å; C25-L51 VanDerWaalsContact CA-O 3.29Å; C25-L51 WeakPolarHBondContact CA-O 2.97Å; T26-L51 PolarHBondContact N-O 2.84Å; T26-L51 PolarHBondContact O-N 3.22Å |
| 52 | C | 95.4 | Very high | 85.7 | Confident | 75 Ų | 75 | 106.5 Ų | 106.5 | 51% | 0.507 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 143.4 | 177 | -66.1 | 0 | 0 | 0 | 0 | 111.2 | H24 C25 | H24-C52 CarbonylContact O-C 3.52Å; H24-C52 VanDerWaalsContact O-CA 3.32Å; H24-C52 WeakPolarHBondContact O-CA 3.25Å; C25-C52 HydrophobicContact CB-CB 4.12Å; C25-C52 WeakPolarHBondContact CB-SG 3.39Å; C25-C52 WeakPolarHBondContact SG-CB 3.41Å; C25-C52 CovalentContact SG-SG 2.05Å; C25-C52 PolarHBondContact SG-SG 3.1Å |
| 53 | R | 91.3 | Very high | 84.4 | Confident | 125 Ų | 125 | 101 Ų | 101 | 47% | 0.472 | 53% | 0.529 | S | S | . | . | trans | -58.7 | 137 | 171.8 | -72.8 | -173 | -176.6 | -140.9 | 0 | 110.1 | R23 H24 S57 | R23-R53 VanDerWaalsContact O-CD 3.31Å; R23-R53 WeakPolarHBondContact O-CD 3.22Å; R23-R53 PolarHBondContact O-NE 3.11Å; R23-R53 VanDerWaalsContact O-NE 3.16Å; H24-R53 WeakPolarHBondContact O-CB 3.24Å; H24-R53 WeakPolarHBondContact O-CG 3.37Å; H24-R53 PolarHBondContact O-N 3.36Å; R53-S57 WeakPolarHBondContact CB-OG 3.31Å | ||
| 54 | S | 90.9 | Very high | 83.2 | Confident | 69 Ų | 69 | 101.9 Ų | 101.9 | 48% | 0.483 | 54% | 0.535 | S | S | . | . | trans | -75.6 | 155.7 | 174.2 | 73.9 | 0 | 0 | 0 | 0 | 110.8 | L56 S57 Y58 | S54-L56 PolarHBondContact O-N 3.16Å; S54-L56 VanDerWaalsContact O-N 3.13Å; S54-S57 PolarHBondContact N-OG 3.21Å; S54-S57 PolarHBondContact O-N 2.82Å; S54-S57 PolarHBondContact O-OG 3.46Å; S54-Y58 PolarHBondContact O-N 2.8Å | ||
| 55 | Q | 82.7 | Confident | 81.9 | Confident | 148 Ų | 148 | 107 Ų | 107 | 69% | 0.692 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -56.4 | -28.7 | 175.2 | -67.8 | -67.8 | -20.5 | 0 | 0 | 113.2 | Y58 R59 | Q55-Y58 WeakPolarHBondContact O-CB 3.38Å; Q55-Y58 PolarHBondContact O-N 2.89Å; Q55-R59 PolarHBondContact O-N 3.08Å |
| 56 | L | 81.7 | Confident | 80.5 | Confident | 144 Ų | 144 | 104.7 Ų | 104.7 | 75% | 0.754 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.4 | -41.7 | 176.5 | -67.2 | 170.3 | 0 | 0 | 0 | 111.6 | S54 Y58 R59 | S54-L56 PolarHBondContact O-N 3.16Å; S54-L56 VanDerWaalsContact O-N 3.13Å; L56-Y58 PolarHBondContact O-N 2.73Å; L56-R59 PolarHBondContact O-N 2.76Å |
| 57 | S | 75.5 | Confident | 78.7 | Confident | 36 Ų | 36 | 110.6 Ų | 110.6 | 25% | 0.252 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69.7 | -22 | 176.8 | 68 | 0 | 0 | 0 | 0 | 113.5 | R53 S54 S60 | R53-S57 WeakPolarHBondContact CB-OG 3.31Å; S54-S57 PolarHBondContact N-OG 3.21Å; S54-S57 PolarHBondContact O-N 2.82Å; S54-S57 PolarHBondContact O-OG 3.46Å; S57-S60 PolarHBondContact O-OG 3.35Å |
| 58 | Y | 68.6 | Low | 77.9 | Confident | 100 Ų | 100 | 107.8 Ų | 107.8 | 39% | 0.392 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.6 | -47.8 | 176 | -176.7 | -102.1 | 0 | 0 | 0 | 111.4 | S54 Q55 L56 S60 Q61 Q62 | S54-Y58 PolarHBondContact O-N 2.8Å; Q55-Y58 WeakPolarHBondContact O-CB 3.38Å; Q55-Y58 PolarHBondContact O-N 2.89Å; L56-Y58 PolarHBondContact O-N 2.73Å; Y58-S60 VanDerWaalsContact C-N 3.31Å; Y58-S60 PolarHBondContact O-N 2.94Å; Y58-Q61 PolarHBondContact O-N 3.41Å; Y58-Q62 HydrophobicContact CD1-CG 4.49Å; Y58-Q62 HydrophobicContact CE1-CG 4.14Å; Y58-Q62 PolarHBondContact O-N 3.29Å; Y58-Q62 PolarHBondContact OH-NE2 3.19Å; Y58-Q62 VanDerWaalsContact OH-NE2 3.1Å |
| 59 | R | 66.6 | Low | 77 | Confident | 187 Ų | 187 | 111.2 Ų | 111.2 | 71% | 0.706 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.8 | -35.9 | -178.8 | -69.3 | -174.8 | 178.5 | -173.2 | -1.5 | 113.1 | Q55 L56 Q61 A63 | Q55-R59 PolarHBondContact O-N 3.08Å; L56-R59 PolarHBondContact O-N 2.76Å; R59-Q61 VanDerWaalsContact C-N 3.29Å; R59-Q61 PolarHBondContact O-N 2.95Å; R59-A63 PolarHBondContact O-N 2.89Å |
| 60 | S | 68.1 | Low | 75.8 | Confident | 71 Ų | 71 | 113.4 Ų | 113.4 | 50% | 0.497 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.8 | -26.1 | 178.8 | 52.8 | 0 | 0 | 0 | 0 | 113.7 | S57 Y58 V64 | S57-S60 PolarHBondContact O-OG 3.35Å; Y58-S60 VanDerWaalsContact C-N 3.31Å; Y58-S60 PolarHBondContact O-N 2.94Å; S60-V64 VanDerWaalsContact O-CG2 3.32Å; S60-V64 WeakPolarHBondContact O-CG2 3.32Å |
| 61 | Q | 61.2 | Low | 74.5 | Confident | 93 Ų | 93 | 114.4 Ų | 114.4 | 44% | 0.435 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -85 | -38.7 | 177.7 | -70 | -167 | -41 | 0 | 0 | 112.4 | Y58 R59 A63 V64 E65 | Y58-Q61 PolarHBondContact O-N 3.41Å; R59-Q61 VanDerWaalsContact C-N 3.29Å; R59-Q61 PolarHBondContact O-N 2.95Å; Q61-A63 VanDerWaalsContact C-N 3.26Å; Q61-A63 PolarHBondContact O-N 3.1Å; Q61-V64 PolarHBondContact O-N 3.19Å; Q61-E65 PolarHBondContact O-N 3.24Å |
| 62 | Q | 62.6 | Low | 73.1 | Confident | 75 Ų | 75 | 113.9 Ų | 113.9 | 35% | 0.35 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -59.3 | -40.6 | 173.8 | -67.2 | -172.4 | -55.9 | 0 | 0 | 111.4 | Y58 V64 E65 E66 | Y58-Q62 HydrophobicContact CD1-CG 4.49Å; Y58-Q62 HydrophobicContact CE1-CG 4.14Å; Y58-Q62 PolarHBondContact O-N 3.29Å; Y58-Q62 PolarHBondContact OH-NE2 3.19Å; Y58-Q62 VanDerWaalsContact OH-NE2 3.1Å; Q62-V64 PolarHBondContact O-N 3Å; Q62-E65 PolarHBondContact O-N 3.01Å; Q62-E66 WeakPolarHBondContact O-CG 3.41Å; Q62-E66 PolarHBondContact O-N 3.37Å; Q62-E66 VanDerWaalsContact O-N 3.1Å |
| 63 | A | 69 | Low | 71.7 | Confident | 65 Ų | 65 | 116.5 Ų | 116.5 | 54% | 0.537 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.5 | -21.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R59 Q61 | R59-A63 PolarHBondContact O-N 2.89Å; Q61-A63 VanDerWaalsContact C-N 3.26Å; Q61-A63 PolarHBondContact O-N 3.1Å |
| 64 | V | 70.5 | Confident | 70.3 | Confident | 109 Ų | 109 | 115.9 Ų | 115.9 | 66% | 0.661 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -90.9 | -25.6 | 175.9 | 174.5 | 0 | 0 | 0 | 0 | 111.5 | S60 Q61 Q62 | S60-V64 VanDerWaalsContact O-CG2 3.32Å; S60-V64 WeakPolarHBondContact O-CG2 3.32Å; Q61-V64 PolarHBondContact O-N 3.19Å; Q62-V64 PolarHBondContact O-N 3Å |
| 65 | E | 65.5 | Low | 68.7 | Low | 149 Ų | 149 | 119.5 Ų | 119.5 | 70% | 0.696 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -82.2 | -17.1 | 175.8 | -71.6 | 179.6 | 174.3 | 0 | 0 | 113 | Q61 Q62 | Q61-E65 PolarHBondContact O-N 3.24Å; Q62-E65 PolarHBondContact O-N 3.01Å |
| 66 | E | 65.1 | Low | 67.5 | Low | 166 Ų | 166 | 117.1 Ų | 117.1 | 78% | 0.776 | 60% | 0.598 | S | S | * | * | trans | -91.9 | -3.9 | -179.5 | -73.7 | 179.1 | 179.2 | 0 | 0 | 115 | Q62 | Q62-E66 WeakPolarHBondContact O-CG 3.41Å; Q62-E66 PolarHBondContact O-N 3.37Å; Q62-E66 VanDerWaalsContact O-N 3.1Å | ||
| 67 | D | 55.7 | Low | 66.2 | Low | 210 Ų | 210 | 114.6 Ų | 114.6 | 100% | 1.123 | 58% | 0.584 | S | S | * | * | trans | -113 | 0 | -180 | -147.7 | 28.1 | 0 | 0 | 0 | 111.2 |
Retrieved 67 of 67 residues in 14.7 ms
(Link to these results)