| 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 | 59.6 | Low | 86.4 | Confident | 238 Ų | 238 | 77 Ų | 77 | 100% | 1.172 | 40% | 0.4 | S | S | * | . | 0 | 120.7 | 0 | -65.4 | -100.4 | -77.9 | 0 | 0 | 106.2 | |||||
| 2 | A | 67.3 | Low | 87 | Confident | 49 Ų | 49 | 80.2 Ų | 80.2 | 41% | 0.405 | 41% | 0.412 | S | S | . | . | trans | -63.3 | 136.8 | 175 | 0 | 0 | 0 | 0 | 0 | 108.9 | D6 V7 A39 | A2-D6 HydrophobicContact CB-CB 4.43Å; A2-V7 HydrophobicContact CB-CG2 4.14Å; A2-A39 HydrophobicContact CB-CB 4.34Å | ||
| 3 | S | 86.3 | Confident | 87.4 | Confident | 47 Ų | 47 | 86.5 Ų | 86.5 | 33% | 0.329 | 43% | 0.427 | S | S | . | . | trans | -72.4 | 159.2 | 176.9 | 72.4 | 0 | 0 | 0 | 0 | 110.5 | Q5 D6 V7 | S3-Q5 PolarHBondContact O-N 3.16Å; S3-D6 WeakPolarHBondContact CB-OD2 3.11Å; S3-D6 PolarHBondContact N-OD2 3.28Å; S3-D6 WeakPolarHBondContact O-CB 3.36Å; S3-D6 PolarHBondContact O-N 2.93Å; S3-D6 VanDerWaalsContact O-N 3.08Å; S3-D6 PolarHBondContact OG-N 2.91Å; S3-D6 VanDerWaalsContact OG-N 3.16Å; S3-D6 PolarHBondContact OG-OD2 2.9Å; S3-V7 PolarHBondContact O-N 2.65Å; S3-V7 VanDerWaalsContact O-N 3.08Å | ||
| 4 | E | 88.8 | Confident | 87.8 | Confident | 81 Ų | 81 | 80.4 Ų | 80.4 | 38% | 0.379 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -53.5 | -38.5 | 172.7 | -178.4 | -173.5 | 146.3 | 0 | 0 | 111.6 | V7 R8 W23 L35 | E4-V7 PolarHBondContact O-N 3.43Å; E4-R8 WeakPolarHBondContact O-CB 3.43Å; E4-R8 PolarHBondContact O-N 3.3Å; E4-R8 IonicContact OE1-NH2 2.65Å; E4-W23 VanDerWaalsContact CD-NE1 3.28Å; E4-W23 HydrophobicContact CG-CZ2 3.96Å; E4-W23 PolarHBondContact OE1-NE1 3.41Å; E4-W23 WeakPolarHBondContact OE2-CZ2 3.25Å; E4-L35 HydrophobicContact CB-CD1 4.04Å; E4-L35 HydrophobicContact CB-CD2 4.19Å; E4-L35 HydrophobicContact CG-CD1 4.29Å; E4-L35 HydrophobicContact CG-CD2 4.2Å |
| 5 | Q | 91.1 | Very high | 88.1 | Confident | 158 Ų | 158 | 78.4 Ų | 78.4 | 74% | 0.738 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -64.6 | -41.2 | 178.6 | -69 | 175.6 | -15.8 | 0 | 0 | 111.6 | S3 R8 A9 | S3-Q5 PolarHBondContact O-N 3.16Å; Q5-R8 PolarHBondContact O-N 2.65Å; Q5-A9 WeakPolarHBondContact O-CB 3.34Å; Q5-A9 PolarHBondContact O-N 3.02Å |
| 6 | D | 91.3 | Very high | 88.5 | Confident | 87 Ų | 87 | 76.4 Ų | 76.4 | 47% | 0.465 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.2 | -45.1 | 177.2 | -59.7 | -42.5 | 0 | 0 | 0 | 111.4 | A2 S3 A9 R10 | A2-D6 HydrophobicContact CB-CB 4.43Å; S3-D6 WeakPolarHBondContact CB-OD2 3.11Å; S3-D6 PolarHBondContact N-OD2 3.28Å; S3-D6 WeakPolarHBondContact O-CB 3.36Å; S3-D6 PolarHBondContact O-N 2.93Å; S3-D6 VanDerWaalsContact O-N 3.08Å; S3-D6 PolarHBondContact OG-N 2.91Å; S3-D6 VanDerWaalsContact OG-N 3.16Å; S3-D6 PolarHBondContact OG-OD2 2.9Å; D6-A9 PolarHBondContact O-N 2.94Å; D6-R10 VanDerWaalsContact O-CG 3.3Å; D6-R10 WeakPolarHBondContact O-CG 3.39Å; D6-R10 PolarHBondContact O-N 2.97Å |
| 7 | V | 92.1 | Very high | 88.7 | Confident | 3 Ų | 3 | 77.9 Ų | 77.9 | 2% | 0.018 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 177.3 | 173.9 | 0 | 0 | 0 | 0 | 110.3 | A2 S3 E4 A9 R10 L11 L35 L38 | A2-V7 HydrophobicContact CB-CG2 4.14Å; S3-V7 PolarHBondContact O-N 2.65Å; S3-V7 VanDerWaalsContact O-N 3.08Å; E4-V7 PolarHBondContact O-N 3.43Å; V7-A9 PolarHBondContact O-N 3.26Å; V7-R10 PolarHBondContact O-N 3.38Å; V7-L11 HydrophobicContact CG1-CD1 4.06Å; V7-L11 HydrophobicContact CG1-CG 4.43Å; V7-L11 WeakPolarHBondContact O-CG 3.16Å; V7-L11 PolarHBondContact O-N 3.5Å; V7-L35 HydrophobicContact CB-CD2 3.91Å; V7-L35 HydrophobicContact CG1-CD2 4.05Å; V7-L35 HydrophobicContact CG2-CD2 3.95Å; V7-L38 HydrophobicContact CG1-CB 3.66Å; V7-L38 HydrophobicContact CG1-CD1 3.96Å; V7-L38 HydrophobicContact CG1-CG 4.44Å |
| 8 | R | 92.8 | Very high | 89 | Confident | 99 Ų | 99 | 80.3 Ų | 80.3 | 37% | 0.374 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 177.8 | -175.2 | 177.9 | -67.7 | -87.3 | 0.6 | 111.9 | E4 Q5 R10 L11 Q12 L20 | E4-R8 WeakPolarHBondContact O-CB 3.43Å; E4-R8 PolarHBondContact O-N 3.3Å; E4-R8 IonicContact OE1-NH2 2.65Å; Q5-R8 PolarHBondContact O-N 2.65Å; R8-R10 PolarHBondContact O-N 2.95Å; R8-L11 PolarHBondContact O-N 2.96Å; R8-Q12 WeakPolarHBondContact O-CB 3.3Å; R8-Q12 PolarHBondContact O-N 3.12Å; R8-L20 HydrophobicContact CB-CD1 4.04Å; R8-L20 HydrophobicContact CG-CD1 3.95Å |
| 9 | A | 92.7 | Very high | 89.3 | Confident | 44 Ų | 44 | 79.9 Ų | 79.9 | 36% | 0.364 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q5 D6 V7 Q12 R13 | Q5-A9 WeakPolarHBondContact O-CB 3.34Å; Q5-A9 PolarHBondContact O-N 3.02Å; D6-A9 PolarHBondContact O-N 2.94Å; V7-A9 PolarHBondContact O-N 3.26Å; A9-Q12 PolarHBondContact O-N 3.04Å; A9-R13 WeakPolarHBondContact O-CG 3.34Å; A9-R13 PolarHBondContact O-N 3.22Å |
| 10 | R | 93.4 | Very high | 89.5 | Confident | 39 Ų | 39 | 76.7 Ų | 76.7 | 15% | 0.147 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.4 | -48.1 | 174.2 | -71.6 | 170.6 | 73.1 | -158.1 | 4.7 | 111.6 | D6 V7 R8 Q12 R13 A14 L41 E42 | D6-R10 VanDerWaalsContact O-CG 3.3Å; D6-R10 WeakPolarHBondContact O-CG 3.39Å; D6-R10 PolarHBondContact O-N 2.97Å; V7-R10 PolarHBondContact O-N 3.38Å; R8-R10 PolarHBondContact O-N 2.95Å; R10-Q12 VanDerWaalsContact C-N 3.3Å; R10-Q12 PolarHBondContact O-N 3.37Å; R10-R13 PolarHBondContact O-N 3.01Å; R10-A14 WeakPolarHBondContact O-CB 3.47Å; R10-A14 PolarHBondContact O-N 3.32Å; R10-L41 PolarHBondContact NH1-O 3.48Å; R10-L41 PolarHBondContact NH2-O 2.91Å; R10-E42 IonicContact CZ-OE1 3.98Å; R10-E42 IonicContact CZ-OE2 3.59Å; R10-E42 IonicContact NH2-OE1 2.63Å; R10-E42 PolarHBondContact NH2-OE1 3.27Å; R10-E42 IonicContact NH2-OE2 3.24Å; R10-E42 PolarHBondContact NH2-OE2 3.24Å |
| 11 | L | 94.6 | Very high | 89.7 | Confident | 2 Ų | 2 | 82.2 Ų | 82.2 | 1% | 0.01 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.3 | -40.6 | 177.2 | -70.3 | 177.8 | 0 | 0 | 0 | 112.2 | V7 R8 A14 G15 Q16 L19 L20 L38 P43 | V7-L11 HydrophobicContact CG1-CD1 4.06Å; V7-L11 HydrophobicContact CG1-CG 4.43Å; V7-L11 WeakPolarHBondContact O-CG 3.16Å; V7-L11 PolarHBondContact O-N 3.5Å; R8-L11 PolarHBondContact O-N 2.96Å; L11-A14 CarbonylContact O-C 3.52Å; L11-A14 PolarHBondContact O-N 3.38Å; L11-G15 PolarHBondContact O-N 3.45Å; L11-Q16 HydrophobicContact CD2-CB 3.93Å; L11-Q16 PolarHBondContact O-N 3.42Å; L11-L19 HydrophobicContact CD1-CB 4.45Å; L11-L19 HydrophobicContact CD2-CD1 3.87Å; L11-L20 HydrophobicContact CD1-CD1 3.97Å; L11-L20 HydrophobicContact CD1-CD2 4.24Å; L11-L20 HydrophobicContact CD1-CG 3.88Å; L11-L38 HydrophobicContact CD1-CD1 4.08Å; L11-L38 HydrophobicContact CD1-CD2 4.41Å; L11-L38 HydrophobicContact CD2-CD2 4.5Å; L11-P43 HydrophobicContact CD2-CB 4.13Å; L11-P43 HydrophobicContact CD2-CG 3.77Å |
| 12 | Q | 93.6 | Very high | 91.4 | Very high | 115 Ų | 115 | 76 Ų | 76 | 54% | 0.537 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.7 | -49 | 175 | 168.3 | 157.1 | 64.5 | 0 | 0 | 112.3 | R8 A9 R10 A14 G15 E17 | R8-Q12 WeakPolarHBondContact O-CB 3.3Å; R8-Q12 PolarHBondContact O-N 3.12Å; A9-Q12 PolarHBondContact O-N 3.04Å; R10-Q12 VanDerWaalsContact C-N 3.3Å; R10-Q12 PolarHBondContact O-N 3.37Å; Q12-A14 PolarHBondContact O-N 3.07Å; Q12-G15 PolarHBondContact O-N 2.91Å; Q12-E17 HydrophobicContact CB-CG 4.04Å; Q12-E17 WeakPolarHBondContact CB-OE1 3.35Å; Q12-E17 WeakPolarHBondContact CG-OE1 3.5Å; Q12-E17 PolarHBondContact NE2-OE1 3.33Å |
| 13 | R | 92.1 | Very high | 92.7 | Very high | 162 Ų | 162 | 74.5 Ų | 74.5 | 61% | 0.611 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -59.5 | -35.8 | 176.1 | -73 | -171.7 | -69 | 104.9 | 0.2 | 112.1 | A9 R10 G15 E44 | A9-R13 WeakPolarHBondContact O-CG 3.34Å; A9-R13 PolarHBondContact O-N 3.22Å; R10-R13 PolarHBondContact O-N 3.01Å; R13-G15 VanDerWaalsContact C-N 3.32Å; R13-E44 IonicContact CZ-OE1 2.88Å; R13-E44 IonicContact NH1-OE1 3.88Å; R13-E44 PolarHBondContact NH1-OE1 3.25Å; R13-E44 IonicContact NH2-OE1 3.96Å; R13-E44 PolarHBondContact NH2-OE1 3.28Å |
| 14 | A | 93.2 | Very high | 93 | Very high | 2 Ų | 2 | 76.2 Ų | 76.2 | 2% | 0.017 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -76.9 | -13.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R10 L11 Q12 Q16 P43 E44 R47 | R10-A14 WeakPolarHBondContact O-CB 3.47Å; R10-A14 PolarHBondContact O-N 3.32Å; L11-A14 CarbonylContact O-C 3.52Å; L11-A14 PolarHBondContact O-N 3.38Å; Q12-A14 PolarHBondContact O-N 3.07Å; A14-Q16 VanDerWaalsContact C-N 3.32Å; A14-Q16 HydrophobicContact CB-CG 4.25Å; A14-P43 HydrophobicContact CB-CB 3.41Å; A14-P43 VanDerWaalsContact CB-CB 3.41Å; A14-E44 HydrophobicContact CB-CG 4.04Å; A14-R47 WeakPolarHBondContact O-CD 3.36Å; A14-R47 PolarHBondContact O-NH1 2.93Å |
| 15 | G | 92.6 | Very high | 93.4 | Very high | 50 Ų | 50 | 79.6 Ų | 79.6 | 52% | 0.515 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 22.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L11 Q12 R13 | L11-G15 PolarHBondContact O-N 3.45Å; Q12-G15 PolarHBondContact O-N 2.91Å; R13-G15 VanDerWaalsContact C-N 3.32Å |
| 16 | Q | 93.9 | Very high | 93.6 | Very high | 46 Ų | 46 | 74.5 Ų | 74.5 | 22% | 0.215 | 37% | 0.367 | C | S | . | . | trans | -105.3 | 29.2 | -177.7 | -65.6 | -166 | -26.6 | 0 | 0 | 113.1 | L11 A14 H18 L19 | L11-Q16 HydrophobicContact CD2-CB 3.93Å; L11-Q16 PolarHBondContact O-N 3.42Å; A14-Q16 VanDerWaalsContact C-N 3.32Å; A14-Q16 HydrophobicContact CB-CG 4.25Å; Q16-H18 PolarHBondContact O-N 3.29Å; Q16-H18 VanDerWaalsContact O-N 3.1Å; Q16-L19 HydrophobicContact CB-CD1 4.31Å; Q16-L19 PolarHBondContact O-N 3.08Å | ||
| 17 | E | 93.1 | Very high | 93.7 | Very high | 102 Ų | 102 | 73 Ų | 73 | 48% | 0.477 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -60.4 | -22.6 | -179.6 | -56.9 | -170.3 | -160 | 0 | 0 | 113.6 | Q12 L19 L20 | Q12-E17 HydrophobicContact CB-CG 4.04Å; Q12-E17 WeakPolarHBondContact CB-OE1 3.35Å; Q12-E17 WeakPolarHBondContact CG-OE1 3.5Å; Q12-E17 PolarHBondContact NE2-OE1 3.33Å; E17-L19 PolarHBondContact O-N 2.78Å; E17-L19 VanDerWaalsContact O-N 3.12Å; E17-L20 PolarHBondContact O-N 2.88Å |
| 18 | H | 94.2 | Very high | 93.8 | Very high | 122 Ų | 122 | 78.1 Ų | 78.1 | 57% | 0.565 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -58.1 | -24.6 | 178.3 | 66.1 | -87.5 | 0 | 0 | 0 | 113.5 | Q16 L20 R21 | Q16-H18 PolarHBondContact O-N 3.29Å; Q16-H18 VanDerWaalsContact O-N 3.1Å; H18-L20 PolarHBondContact O-N 3.08Å; H18-R21 VanDerWaalsContact O-CB 3.25Å; H18-R21 WeakPolarHBondContact O-CB 3.44Å; H18-R21 PolarHBondContact O-N 2.89Å; H18-R21 VanDerWaalsContact O-N 3.15Å |
| 19 | L | 93.3 | Very high | 93.9 | Very high | 73 Ų | 73 | 81.3 Ų | 81.3 | 38% | 0.382 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -64.1 | -22.7 | 175.2 | -61.9 | 177.5 | 0 | 0 | 0 | 112.5 | L11 Q16 E17 L38 | L11-L19 HydrophobicContact CD1-CB 4.45Å; L11-L19 HydrophobicContact CD2-CD1 3.87Å; Q16-L19 HydrophobicContact CB-CD1 4.31Å; Q16-L19 PolarHBondContact O-N 3.08Å; E17-L19 PolarHBondContact O-N 2.78Å; E17-L19 VanDerWaalsContact O-N 3.12Å; L19-L38 HydrophobicContact CD1-CD2 3.85Å |
| 20 | L | 93.9 | Very high | 94 | Very high | 15 Ų | 15 | 82.1 Ų | 82.1 | 8% | 0.079 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -101.1 | 12.4 | 178.3 | -56.6 | -177.7 | 0 | 0 | 0 | 112.9 | R8 L11 E17 H18 F22 W23 L38 | R8-L20 HydrophobicContact CB-CD1 4.04Å; R8-L20 HydrophobicContact CG-CD1 3.95Å; L11-L20 HydrophobicContact CD1-CD1 3.97Å; L11-L20 HydrophobicContact CD1-CD2 4.24Å; L11-L20 HydrophobicContact CD1-CG 3.88Å; E17-L20 PolarHBondContact O-N 2.88Å; H18-L20 PolarHBondContact O-N 3.08Å; L20-F22 VanDerWaalsContact C-N 3.26Å; L20-F22 PolarHBondContact O-N 3.17Å; L20-W23 HydrophobicContact CB-CB 4.18Å; L20-W23 HydrophobicContact CD2-CD2 4.25Å; L20-W23 HydrophobicContact CD2-CE3 3.75Å; L20-W23 HydrophobicContact CD2-CZ3 4.35Å; L20-W23 WeakPolarHBondContact O-CB 3.07Å; L20-W23 PolarHBondContact O-N 2.97Å; L20-L38 HydrophobicContact CD2-CD1 4Å |
| 21 | R | 94.9 | Very high | 94 | Very high | 192 Ų | 192 | 84 Ų | 84 | 73% | 0.725 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -42.2 | -178.3 | 176.8 | 177.1 | 176.9 | 173 | 0.3 | 113 | H18 | H18-R21 VanDerWaalsContact O-CB 3.25Å; H18-R21 WeakPolarHBondContact O-CB 3.44Å; H18-R21 PolarHBondContact O-N 2.89Å; H18-R21 VanDerWaalsContact O-N 3.15Å |
| 22 | F | 94.9 | Very high | 94 | Very high | 107 Ų | 107 | 86.8 Ų | 86.8 | 47% | 0.469 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 16.4 | -177.4 | -54.9 | -70 | 0 | 0 | 0 | 112.6 | L20 A24 E25 L26 | L20-F22 VanDerWaalsContact C-N 3.26Å; L20-F22 PolarHBondContact O-N 3.17Å; F22-A24 PolarHBondContact O-N 3.08Å; F22-E25 WeakPolarHBondContact CD1-OE1 3.33Å; F22-E25 WeakPolarHBondContact O-CB 3.43Å; F22-E25 PolarHBondContact O-N 3.22Å; F22-L26 PolarHBondContact O-N 2.87Å |
| 23 | W | 94.2 | Very high | 94 | Very high | 18 Ų | 18 | 83.9 Ų | 83.9 | 7% | 0.068 | 45% | 0.447 | C | S | . | . | G | 310 helix | trans | -54.7 | -41.1 | -174.8 | -175.7 | -106.3 | 0 | 0 | 0 | 112.5 | E4 L20 E25 L26 R31 L34 L35 | E4-W23 VanDerWaalsContact CD-NE1 3.28Å; E4-W23 HydrophobicContact CG-CZ2 3.96Å; E4-W23 PolarHBondContact OE1-NE1 3.41Å; E4-W23 WeakPolarHBondContact OE2-CZ2 3.25Å; L20-W23 HydrophobicContact CB-CB 4.18Å; L20-W23 HydrophobicContact CD2-CD2 4.25Å; L20-W23 HydrophobicContact CD2-CE3 3.75Å; L20-W23 HydrophobicContact CD2-CZ3 4.35Å; L20-W23 WeakPolarHBondContact O-CB 3.07Å; L20-W23 PolarHBondContact O-N 2.97Å; W23-E25 PolarHBondContact O-N 2.68Å; W23-L26 HydrophobicContact CE3-CD1 3.94Å; W23-L26 HydrophobicContact CZ3-CD1 4.23Å; W23-L26 PolarHBondContact O-N 3.01Å; W23-R31 HydrophobicContact CD2-CG 4.43Å; W23-R31 HydrophobicContact CE3-CG 4.34Å; W23-R31 HydrophobicContact CH2-CB 3.53Å; W23-R31 HydrophobicContact CH2-CG 3.75Å; W23-R31 WeakPolarHBondContact CH2-O 3.43Å; W23-R31 HydrophobicContact CZ2-CB 3.98Å; W23-R31 HydrophobicContact CZ2-CG 3.93Å; W23-R31 HydrophobicContact CZ3-CB 4.07Å; W23-R31 HydrophobicContact CZ3-CG 4.01Å; W23-R31 PolarHBondContact O-NE 2.81Å; W23-R31 PolarHBondContact O-NH2 2.79Å; W23-R31 VanDerWaalsContact O-NH2 3.08Å; W23-L34 HydrophobicContact CE3-CD2 3.98Å; W23-L34 HydrophobicContact CZ3-CB 4.29Å; W23-L34 HydrophobicContact CZ3-CD2 3.85Å; W23-L34 HydrophobicContact CZ3-CG 4.22Å; W23-L35 HydrophobicContact CH2-CD1 3.47Å; W23-L35 VanDerWaalsContact CH2-CD1 3.47Å; W23-L35 HydrophobicContact CH2-CD2 4.17Å; W23-L35 HydrophobicContact CH2-CG 3.43Å; W23-L35 VanDerWaalsContact CH2-CG 3.43Å; W23-L35 HydrophobicContact CZ2-CD1 3.78Å; W23-L35 HydrophobicContact CZ2-CG 4.14Å; W23-L35 HydrophobicContact CZ3-CG 4.14Å |
| 24 | A | 93.3 | Very high | 94.1 | Very high | 84 Ų | 84 | 78.3 Ų | 78.3 | 69% | 0.694 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -65 | -24.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | F22 R31 | F22-A24 PolarHBondContact O-N 3.08Å; A24-R31 VanDerWaalsContact C-NH2 3.3Å; A24-R31 PolarHBondContact O-NH2 3.24Å |
| 25 | E | 96 | Very high | 94.1 | Very high | 151 Ų | 151 | 79.9 Ų | 79.9 | 71% | 0.706 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -90.6 | -16.1 | -177.4 | -63.9 | 169 | -126.5 | 0 | 0 | 112.6 | F22 W23 | F22-E25 WeakPolarHBondContact CD1-OE1 3.33Å; F22-E25 WeakPolarHBondContact O-CB 3.43Å; F22-E25 PolarHBondContact O-N 3.22Å; W23-E25 PolarHBondContact O-N 2.68Å |
| 26 | L | 94.7 | Very high | 94.2 | Very high | 51 Ų | 51 | 80.4 Ų | 80.4 | 27% | 0.267 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -72.3 | 135.9 | 179.5 | -66.8 | 175.9 | 0 | 0 | 0 | 111.6 | F22 W23 P30 R31 L34 | F22-L26 PolarHBondContact O-N 2.87Å; W23-L26 HydrophobicContact CE3-CD1 3.94Å; W23-L26 HydrophobicContact CZ3-CD1 4.23Å; W23-L26 PolarHBondContact O-N 3.01Å; L26-P30 HydrophobicContact CB-CB 4.47Å; L26-P30 HydrophobicContact CD2-CB 4.11Å; L26-R31 HydrophobicContact CB-CG 3.42Å; L26-R31 VanDerWaalsContact CB-CG 3.42Å; L26-R31 HydrophobicContact CD1-CG 4.2Å; L26-R31 HydrophobicContact CG-CG 4.47Å; L26-R31 VanDerWaalsContact O-CZ 3.3Å; L26-R31 PolarHBondContact O-NE 3.5Å; L26-R31 PolarHBondContact O-NH2 3.18Å; L26-R31 VanDerWaalsContact O-NH2 3.17Å; L26-L34 HydrophobicContact CD1-CD2 3.68Å |
| 27 | A | 95.3 | Very high | 94.2 | Very high | 55 Ų | 55 | 84.6 Ų | 84.6 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | trans | -68 | 162.8 | 168 | 0 | 0 | 0 | 0 | 0 | 111.4 | E29 P30 R31 | A27-E29 VanDerWaalsContact C-N 3.34Å; A27-E29 PolarHBondContact O-N 3.26Å; A27-P30 HydrophobicContact CB-CG 4.28Å; A27-P30 WeakPolarHBondContact O-CD 3.49Å; A27-R31 WeakPolarHBondContact O-CG 3.45Å; A27-R31 PolarHBondContact O-N 3.15Å | ||
| 28 | P | 93.3 | Very high | 94.2 | Very high | 112 Ų | 112 | 80.2 Ų | 80.2 | 73% | 0.727 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -56.2 | -40.7 | -174.4 | -28 | 36.2 | 0 | 0 | 0 | 114.9 | R31 A32 | P28-R31 PolarHBondContact O-N 3.1Å; P28-A32 PolarHBondContact O-N 3.33Å |
| 29 | E | 95.3 | Very high | 94.1 | Very high | 165 Ų | 165 | 76.1 Ų | 76.1 | 77% | 0.771 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -65.9 | -54.7 | 179.1 | -78.4 | 176.3 | 168.7 | 0 | 0 | 112.4 | A27 R31 A32 A33 | A27-E29 VanDerWaalsContact C-N 3.34Å; A27-E29 PolarHBondContact O-N 3.26Å; E29-R31 VanDerWaalsContact C-N 3.25Å; E29-R31 PolarHBondContact O-N 3.12Å; E29-A32 PolarHBondContact O-N 2.93Å; E29-A32 VanDerWaalsContact O-N 3.12Å; E29-A33 PolarHBondContact O-N 2.76Å |
| 30 | P | 94.3 | Very high | 94.1 | Very high | 61 Ų | 61 | 79.8 Ų | 79.8 | 40% | 0.396 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -55 | -36.1 | 171.8 | -28.6 | 32.7 | 0 | 0 | 0 | 114.4 | L26 A27 L34 | L26-P30 HydrophobicContact CB-CB 4.47Å; L26-P30 HydrophobicContact CD2-CB 4.11Å; A27-P30 HydrophobicContact CB-CG 4.28Å; A27-P30 WeakPolarHBondContact O-CD 3.49Å; P30-L34 WeakPolarHBondContact O-CB 3.24Å; P30-L34 PolarHBondContact O-N 2.88Å |
| 31 | R | 94.4 | Very high | 94 | Very high | 78 Ų | 78 | 82.4 Ų | 82.4 | 29% | 0.294 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 174.8 | -76.9 | -171.2 | -169.5 | 172.3 | 9.7 | 111.9 | W23 A24 L26 A27 P28 E29 A33 L34 L35 | W23-R31 HydrophobicContact CD2-CG 4.43Å; W23-R31 HydrophobicContact CE3-CG 4.34Å; W23-R31 HydrophobicContact CH2-CB 3.53Å; W23-R31 HydrophobicContact CH2-CG 3.75Å; W23-R31 WeakPolarHBondContact CH2-O 3.43Å; W23-R31 HydrophobicContact CZ2-CB 3.98Å; W23-R31 HydrophobicContact CZ2-CG 3.93Å; W23-R31 HydrophobicContact CZ3-CB 4.07Å; W23-R31 HydrophobicContact CZ3-CG 4.01Å; W23-R31 PolarHBondContact O-NE 2.81Å; W23-R31 PolarHBondContact O-NH2 2.79Å; W23-R31 VanDerWaalsContact O-NH2 3.08Å; A24-R31 VanDerWaalsContact C-NH2 3.3Å; A24-R31 PolarHBondContact O-NH2 3.24Å; L26-R31 HydrophobicContact CB-CG 3.42Å; L26-R31 VanDerWaalsContact CB-CG 3.42Å; L26-R31 HydrophobicContact CD1-CG 4.2Å; L26-R31 HydrophobicContact CG-CG 4.47Å; L26-R31 VanDerWaalsContact O-CZ 3.3Å; L26-R31 PolarHBondContact O-NE 3.5Å; L26-R31 PolarHBondContact O-NH2 3.18Å; L26-R31 VanDerWaalsContact O-NH2 3.17Å; A27-R31 WeakPolarHBondContact O-CG 3.45Å; A27-R31 PolarHBondContact O-N 3.15Å; P28-R31 PolarHBondContact O-N 3.1Å; E29-R31 VanDerWaalsContact C-N 3.25Å; E29-R31 PolarHBondContact O-N 3.12Å; R31-A33 VanDerWaalsContact C-N 3.34Å; R31-L34 PolarHBondContact O-N 3.23Å; R31-L35 PolarHBondContact O-N 2.67Å |
| 32 | A | 92.9 | Very high | 93.8 | Very high | 62 Ų | 62 | 78.5 Ų | 78.5 | 51% | 0.512 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P28 E29 L35 A36 | P28-A32 PolarHBondContact O-N 3.33Å; E29-A32 PolarHBondContact O-N 2.93Å; E29-A32 VanDerWaalsContact O-N 3.12Å; A32-L35 PolarHBondContact O-N 3.3Å; A32-A36 WeakPolarHBondContact O-CB 3.2Å; A32-A36 PolarHBondContact O-N 3.49Å |
| 33 | A | 94.3 | Very high | 93.7 | Very high | 53 Ų | 53 | 73.5 Ų | 73.5 | 44% | 0.438 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.6 | -49 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E29 R31 L35 A36 E37 | E29-A33 PolarHBondContact O-N 2.76Å; R31-A33 VanDerWaalsContact C-N 3.34Å; A33-L35 VanDerWaalsContact C-N 3.35Å; A33-L35 PolarHBondContact O-N 3.38Å; A33-A36 WeakPolarHBondContact O-CB 3.39Å; A33-A36 PolarHBondContact O-N 2.91Å; A33-A36 VanDerWaalsContact O-N 3.15Å; A33-E37 PolarHBondContact O-N 3.5Å |
| 34 | L | 94.3 | Very high | 93.6 | Very high | 46 Ų | 46 | 75.1 Ų | 75.1 | 24% | 0.241 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 178.6 | 179.1 | 59.1 | 0 | 0 | 0 | 111.9 | W23 L26 P30 R31 A36 E37 L38 | W23-L34 HydrophobicContact CE3-CD2 3.98Å; W23-L34 HydrophobicContact CZ3-CB 4.29Å; W23-L34 HydrophobicContact CZ3-CD2 3.85Å; W23-L34 HydrophobicContact CZ3-CG 4.22Å; L26-L34 HydrophobicContact CD1-CD2 3.68Å; P30-L34 WeakPolarHBondContact O-CB 3.24Å; P30-L34 PolarHBondContact O-N 2.88Å; R31-L34 PolarHBondContact O-N 3.23Å; L34-A36 VanDerWaalsContact C-N 3.34Å; L34-A36 PolarHBondContact O-N 3.3Å; L34-E37 PolarHBondContact O-N 2.95Å; L34-L38 HydrophobicContact CD1-CD1 3.88Å; L34-L38 HydrophobicContact CD1-CG 3.95Å; L34-L38 HydrophobicContact CD2-CD1 4.48Å; L34-L38 HydrophobicContact CG-CD1 3.78Å; L34-L38 HydrophobicContact CG-CG 4.3Å; L34-L38 WeakPolarHBondContact O-CB 3.39Å; L34-L38 WeakPolarHBondContact O-CG 3.43Å; L34-L38 PolarHBondContact O-N 3.4Å |
| 35 | L | 93.7 | Very high | 93.6 | Very high | 35 Ų | 35 | 74.1 Ų | 74.1 | 18% | 0.183 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 174.9 | -83.4 | 167.8 | 0 | 0 | 0 | 112.6 | E4 V7 W23 R31 A32 A33 E37 L38 A39 | E4-L35 HydrophobicContact CB-CD1 4.04Å; E4-L35 HydrophobicContact CB-CD2 4.19Å; E4-L35 HydrophobicContact CG-CD1 4.29Å; E4-L35 HydrophobicContact CG-CD2 4.2Å; V7-L35 HydrophobicContact CB-CD2 3.91Å; V7-L35 HydrophobicContact CG1-CD2 4.05Å; V7-L35 HydrophobicContact CG2-CD2 3.95Å; W23-L35 HydrophobicContact CH2-CD1 3.47Å; W23-L35 VanDerWaalsContact CH2-CD1 3.47Å; W23-L35 HydrophobicContact CH2-CD2 4.17Å; W23-L35 HydrophobicContact CH2-CG 3.43Å; W23-L35 VanDerWaalsContact CH2-CG 3.43Å; W23-L35 HydrophobicContact CZ2-CD1 3.78Å; W23-L35 HydrophobicContact CZ2-CG 4.14Å; W23-L35 HydrophobicContact CZ3-CG 4.14Å; R31-L35 PolarHBondContact O-N 2.67Å; A32-L35 PolarHBondContact O-N 3.3Å; A33-L35 VanDerWaalsContact C-N 3.35Å; A33-L35 PolarHBondContact O-N 3.38Å; L35-E37 VanDerWaalsContact C-N 3.34Å; L35-L38 PolarHBondContact O-N 3.46Å; L35-A39 VanDerWaalsContact O-CB 3.24Å; L35-A39 WeakPolarHBondContact O-CB 3.34Å; L35-A39 PolarHBondContact O-N 3.02Å |
| 36 | A | 93.4 | Very high | 93.5 | Very high | 60 Ų | 60 | 70.6 Ų | 70.6 | 50% | 0.496 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A32 A33 L34 A39 | A32-A36 WeakPolarHBondContact O-CB 3.2Å; A32-A36 PolarHBondContact O-N 3.49Å; A33-A36 WeakPolarHBondContact O-CB 3.39Å; A33-A36 PolarHBondContact O-N 2.91Å; A33-A36 VanDerWaalsContact O-N 3.15Å; L34-A36 VanDerWaalsContact C-N 3.34Å; L34-A36 PolarHBondContact O-N 3.3Å; A36-A39 PolarHBondContact O-N 3.26Å |
| 37 | E | 94.7 | Very high | 93.4 | Very high | 134 Ų | 134 | 74.7 Ų | 74.7 | 63% | 0.626 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64.9 | -48.8 | 175.6 | -70.7 | -177.3 | -167.6 | 0 | 0 | 111.9 | A33 L34 L35 A39 L40 | A33-E37 PolarHBondContact O-N 3.5Å; L34-E37 PolarHBondContact O-N 2.95Å; L35-E37 VanDerWaalsContact C-N 3.34Å; E37-A39 PolarHBondContact O-N 3.43Å; E37-L40 PolarHBondContact O-N 3.02Å; E37-L40 VanDerWaalsContact O-N 3.16Å |
| 38 | L | 94.1 | Very high | 93.4 | Very high | 11 Ų | 11 | 75.5 Ų | 75.5 | 6% | 0.058 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64.2 | -29.5 | 180 | -68.8 | 171 | 0 | 0 | 0 | 112.8 | V7 L11 L19 L20 L34 L35 L40 L41 | V7-L38 HydrophobicContact CG1-CB 3.66Å; V7-L38 HydrophobicContact CG1-CD1 3.96Å; V7-L38 HydrophobicContact CG1-CG 4.44Å; L11-L38 HydrophobicContact CD1-CD1 4.08Å; L11-L38 HydrophobicContact CD1-CD2 4.41Å; L11-L38 HydrophobicContact CD2-CD2 4.5Å; L19-L38 HydrophobicContact CD1-CD2 3.85Å; L20-L38 HydrophobicContact CD2-CD1 4Å; L34-L38 HydrophobicContact CD1-CD1 3.88Å; L34-L38 HydrophobicContact CD1-CG 3.95Å; L34-L38 HydrophobicContact CD2-CD1 4.48Å; L34-L38 HydrophobicContact CG-CD1 3.78Å; L34-L38 HydrophobicContact CG-CG 4.3Å; L34-L38 WeakPolarHBondContact O-CB 3.39Å; L34-L38 WeakPolarHBondContact O-CG 3.43Å; L34-L38 PolarHBondContact O-N 3.4Å; L35-L38 PolarHBondContact O-N 3.46Å; L38-L40 PolarHBondContact O-N 3.41Å; L38-L41 HydrophobicContact CD2-CD1 4.2Å; L38-L41 PolarHBondContact O-N 3.12Å |
| 39 | A | 91.3 | Very high | 93.5 | Very high | 35 Ų | 35 | 76.2 Ų | 76.2 | 29% | 0.289 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.4 | -28 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A2 L35 A36 E37 | A2-A39 HydrophobicContact CB-CB 4.34Å; L35-A39 VanDerWaalsContact O-CB 3.24Å; L35-A39 WeakPolarHBondContact O-CB 3.34Å; L35-A39 PolarHBondContact O-N 3.02Å; A36-A39 PolarHBondContact O-N 3.26Å; E37-A39 PolarHBondContact O-N 3.43Å |
| 40 | L | 92.3 | Very high | 93.4 | Very high | 150 Ų | 150 | 72.2 Ų | 72.2 | 79% | 0.785 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -81.4 | -16.1 | 179.1 | -62.1 | 174.3 | 0 | 0 | 0 | 113.3 | E37 L38 | E37-L40 PolarHBondContact O-N 3.02Å; E37-L40 VanDerWaalsContact O-N 3.16Å; L38-L40 PolarHBondContact O-N 3.41Å |
| 41 | L | 91.5 | Very high | 93.5 | Very high | 71 Ų | 71 | 74.7 Ų | 74.7 | 37% | 0.372 | 40% | 0.4 | S | S | . | . | trans | -84 | 156.3 | -179 | -58.6 | -178.5 | 0 | 0 | 0 | 111 | R10 L38 P43 L46 | R10-L41 PolarHBondContact NH1-O 3.48Å; R10-L41 PolarHBondContact NH2-O 2.91Å; L38-L41 HydrophobicContact CD2-CD1 4.2Å; L38-L41 PolarHBondContact O-N 3.12Å; L41-P43 WeakPolarHBondContact O-CD 3.4Å; L41-L46 HydrophobicContact CB-CD1 4.34Å; L41-L46 HydrophobicContact CD2-CD1 4.4Å | ||
| 42 | E | 92.6 | Very high | 93.5 | Very high | 109 Ų | 109 | 78.6 Ų | 78.6 | 51% | 0.509 | 42% | 0.415 | S | S | . | . | trans | -115.6 | 84.6 | 166.8 | -67.7 | -57.2 | 143.6 | 0 | 0 | 109.2 | R10 E44 A45 L46 | R10-E42 IonicContact CZ-OE1 3.98Å; R10-E42 IonicContact CZ-OE2 3.59Å; R10-E42 IonicContact NH2-OE1 2.63Å; R10-E42 PolarHBondContact NH2-OE1 3.27Å; R10-E42 IonicContact NH2-OE2 3.24Å; R10-E42 PolarHBondContact NH2-OE2 3.24Å; E42-E44 VanDerWaalsContact C-N 3.3Å; E42-E44 PolarHBondContact O-N 2.99Å; E42-A45 HydrophobicContact CB-CB 3.85Å; E42-A45 PolarHBondContact O-N 3.41Å; E42-A45 VanDerWaalsContact O-N 3.12Å; E42-L46 WeakPolarHBondContact O-CG 3.36Å; E42-L46 PolarHBondContact O-N 3.41Å | ||
| 43 | P | 92.3 | Very high | 93.7 | Very high | 3 Ų | 3 | 78 Ų | 78 | 2% | 0.019 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -56.1 | -39.1 | -169.9 | -29.3 | 38.1 | 0 | 0 | 0 | 114.2 | L11 A14 L41 L46 R47 | L11-P43 HydrophobicContact CD2-CB 4.13Å; L11-P43 HydrophobicContact CD2-CG 3.77Å; A14-P43 HydrophobicContact CB-CB 3.41Å; A14-P43 VanDerWaalsContact CB-CB 3.41Å; L41-P43 WeakPolarHBondContact O-CD 3.4Å; P43-L46 PolarHBondContact O-N 2.63Å; P43-R47 WeakPolarHBondContact O-CB 3.49Å; P43-R47 PolarHBondContact O-N 3.43Å |
| 44 | E | 91.6 | Very high | 93.7 | Very high | 52 Ų | 52 | 78.4 Ų | 78.4 | 24% | 0.243 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -68.8 | -42 | 179.1 | -64.9 | 88.8 | 152.6 | 0 | 0 | 111.8 | R13 A14 E42 R47 E48 | R13-E44 IonicContact CZ-OE1 2.88Å; R13-E44 IonicContact NH1-OE1 3.88Å; R13-E44 PolarHBondContact NH1-OE1 3.25Å; R13-E44 IonicContact NH2-OE1 3.96Å; R13-E44 PolarHBondContact NH2-OE1 3.28Å; A14-E44 HydrophobicContact CB-CG 4.04Å; E42-E44 VanDerWaalsContact C-N 3.3Å; E42-E44 PolarHBondContact O-N 2.99Å; E44-R47 PolarHBondContact O-N 3.39Å; E44-E48 WeakPolarHBondContact O-CB 3.3Å; E44-E48 PolarHBondContact O-N 3.5Å |
| 45 | A | 94.1 | Very high | 93.7 | Very high | 62 Ų | 62 | 80 Ų | 80 | 51% | 0.512 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | E42 E48 H49 | E42-A45 HydrophobicContact CB-CB 3.85Å; E42-A45 PolarHBondContact O-N 3.41Å; E42-A45 VanDerWaalsContact O-N 3.12Å; A45-E48 PolarHBondContact O-N 3.34Å; A45-H49 VanDerWaalsContact O-CB 3.31Å; A45-H49 WeakPolarHBondContact O-CB 3.47Å; A45-H49 PolarHBondContact O-N 3.47Å |
| 46 | L | 93.4 | Very high | 93.6 | Very high | 77 Ų | 77 | 81.1 Ų | 81.1 | 40% | 0.403 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 175.3 | -71.8 | 172.4 | 0 | 0 | 0 | 111.7 | L41 E42 P43 E48 H49 C50 | L41-L46 HydrophobicContact CB-CD1 4.34Å; L41-L46 HydrophobicContact CD2-CD1 4.4Å; E42-L46 WeakPolarHBondContact O-CG 3.36Å; E42-L46 PolarHBondContact O-N 3.41Å; P43-L46 PolarHBondContact O-N 2.63Å; L46-E48 PolarHBondContact O-N 2.91Å; L46-H49 PolarHBondContact O-N 3.44Å; L46-C50 WeakPolarHBondContact O-CB 3.39Å; L46-C50 PolarHBondContact O-N 3.41Å; L46-C50 PolarHBondContact O-SG 2.93Å; L46-C50 VanDerWaalsContact O-SG 3.32Å |
| 47 | R | 92.6 | Very high | 93.4 | Very high | 137 Ų | 137 | 82.7 Ų | 82.7 | 52% | 0.517 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.4 | -47.6 | 176.6 | 173.2 | 171.8 | 167.8 | -163.9 | -4.1 | 111.6 | A14 P43 E44 H49 C50 R51 | A14-R47 WeakPolarHBondContact O-CD 3.36Å; A14-R47 PolarHBondContact O-NH1 2.93Å; P43-R47 WeakPolarHBondContact O-CB 3.49Å; P43-R47 PolarHBondContact O-N 3.43Å; E44-R47 PolarHBondContact O-N 3.39Å; R47-H49 VanDerWaalsContact C-N 3.33Å; R47-H49 PolarHBondContact O-N 2.99Å; R47-C50 PolarHBondContact O-N 2.94Å; R47-R51 WeakPolarHBondContact O-CB 3.16Å; R47-R51 PolarHBondContact O-N 3.32Å |
| 48 | E | 94.6 | Very high | 93.3 | Very high | 73 Ų | 73 | 80.4 Ų | 80.4 | 34% | 0.341 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.1 | -41 | -179.9 | 177 | 55.2 | -162.1 | 0 | 0 | 111.6 | E44 A45 L46 R51 R52 | E44-E48 WeakPolarHBondContact O-CB 3.3Å; E44-E48 PolarHBondContact O-N 3.5Å; A45-E48 PolarHBondContact O-N 3.34Å; L46-E48 PolarHBondContact O-N 2.91Å; E48-R51 PolarHBondContact O-N 2.97Å; E48-R51 IonicContact OE1-CZ 3.16Å; E48-R51 IonicContact OE1-NE 3.33Å; E48-R51 IonicContact OE1-NH2 3.59Å; E48-R51 PolarHBondContact OE1-NH2 3.01Å; E48-R51 IonicContact OE2-CZ 3.43Å; E48-R51 IonicContact OE2-NE 2.68Å; E48-R51 PolarHBondContact OE2-NE 3.38Å; E48-R51 IonicContact OE2-NH2 3.61Å; E48-R51 PolarHBondContact OE2-NH2 3.49Å; E48-R52 WeakPolarHBondContact O-CB 3.44Å; E48-R52 VanDerWaalsContact O-CG 3.3Å; E48-R52 WeakPolarHBondContact O-CG 3.48Å; E48-R52 PolarHBondContact O-N 3.15Å; E48-R52 WeakPolarHBondContact OE1-CD 3.33Å; E48-R52 WeakPolarHBondContact OE1-CG 3.45Å |
| 49 | H | 95.6 | Very high | 93 | Very high | 127 Ų | 127 | 87.7 Ų | 87.7 | 59% | 0.588 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -58.8 | -52.4 | 174.4 | 179.2 | 85.6 | 0 | 0 | 0 | 111.6 | A45 L46 R47 R51 R52 A53 | A45-H49 VanDerWaalsContact O-CB 3.31Å; A45-H49 WeakPolarHBondContact O-CB 3.47Å; A45-H49 PolarHBondContact O-N 3.47Å; L46-H49 PolarHBondContact O-N 3.44Å; R47-H49 VanDerWaalsContact C-N 3.33Å; R47-H49 PolarHBondContact O-N 2.99Å; H49-R51 VanDerWaalsContact C-N 3.33Å; H49-R51 PolarHBondContact O-N 3.47Å; H49-R52 PolarHBondContact O-N 3.01Å; H49-A53 WeakPolarHBondContact O-CB 3.47Å; H49-A53 PolarHBondContact O-N 2.94Å |
| 50 | C | 93.9 | Very high | 92.7 | Very high | 80 Ų | 80 | 91.9 Ų | 91.9 | 54% | 0.541 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.4 | -40.9 | -179.9 | -70.1 | 0 | 0 | 0 | 0 | 112 | L46 R47 A53 A54 | L46-C50 WeakPolarHBondContact O-CB 3.39Å; L46-C50 PolarHBondContact O-N 3.41Å; L46-C50 PolarHBondContact O-SG 2.93Å; L46-C50 VanDerWaalsContact O-SG 3.32Å; R47-C50 PolarHBondContact O-N 2.94Å; C50-A53 PolarHBondContact O-N 3.01Å; C50-A54 WeakPolarHBondContact O-CB 3.47Å; C50-A54 PolarHBondContact O-N 3.38Å |
| 51 | R | 95.2 | Very high | 92.1 | Very high | 113 Ų | 113 | 93.4 Ų | 93.4 | 43% | 0.426 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.1 | -51.8 | 174.9 | -176.9 | -173.1 | 71.4 | 91 | -3.3 | 110.9 | R47 E48 H49 A53 A54 E55 | R47-R51 WeakPolarHBondContact O-CB 3.16Å; R47-R51 PolarHBondContact O-N 3.32Å; E48-R51 PolarHBondContact O-N 2.97Å; E48-R51 IonicContact OE1-CZ 3.16Å; E48-R51 IonicContact OE1-NE 3.33Å; E48-R51 IonicContact OE1-NH2 3.59Å; E48-R51 PolarHBondContact OE1-NH2 3.01Å; E48-R51 IonicContact OE2-CZ 3.43Å; E48-R51 IonicContact OE2-NE 2.68Å; E48-R51 PolarHBondContact OE2-NE 3.38Å; E48-R51 IonicContact OE2-NH2 3.61Å; E48-R51 PolarHBondContact OE2-NH2 3.49Å; H49-R51 VanDerWaalsContact C-N 3.33Å; H49-R51 PolarHBondContact O-N 3.47Å; R51-A53 VanDerWaalsContact C-N 3.32Å; R51-A53 PolarHBondContact O-N 2.92Å; R51-A54 PolarHBondContact O-N 3.16Å; R51-E55 WeakPolarHBondContact CG-OE1 3.44Å; R51-E55 IonicContact CZ-OE1 3.08Å; R51-E55 IonicContact NE-OE1 3.87Å; R51-E55 VanDerWaalsContact NH1-CD 3.3Å; R51-E55 IonicContact NH1-OE1 3.68Å; R51-E55 PolarHBondContact NH1-OE1 3.31Å; R51-E55 IonicContact NH1-OE2 3.89Å; R51-E55 PolarHBondContact NH1-OE2 2.92Å; R51-E55 WeakPolarHBondContact O-CB 3.46Å; R51-E55 WeakPolarHBondContact O-CG 3.38Å; R51-E55 PolarHBondContact O-N 3.41Å |
| 52 | R | 95.9 | Very high | 91.5 | Very high | 161 Ų | 161 | 92.9 Ų | 92.9 | 61% | 0.608 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.3 | -38.7 | 179.5 | -72.1 | 174.5 | 61.6 | -173.9 | 0.9 | 112.3 | E48 H49 E55 A56 | E48-R52 WeakPolarHBondContact O-CB 3.44Å; E48-R52 VanDerWaalsContact O-CG 3.3Å; E48-R52 WeakPolarHBondContact O-CG 3.48Å; E48-R52 PolarHBondContact O-N 3.15Å; E48-R52 WeakPolarHBondContact OE1-CD 3.33Å; E48-R52 WeakPolarHBondContact OE1-CG 3.45Å; H49-R52 PolarHBondContact O-N 3.01Å; R52-E55 PolarHBondContact O-N 2.94Å; R52-A56 WeakPolarHBondContact O-CB 3.35Å; R52-A56 PolarHBondContact O-N 3.45Å |
| 53 | A | 95.6 | Very high | 90.9 | Very high | 49 Ų | 49 | 92.3 Ų | 92.3 | 41% | 0.405 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.5 | -45.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | H49 C50 R51 A56 C57 | H49-A53 WeakPolarHBondContact O-CB 3.47Å; H49-A53 PolarHBondContact O-N 2.94Å; C50-A53 PolarHBondContact O-N 3.01Å; R51-A53 VanDerWaalsContact C-N 3.32Å; R51-A53 PolarHBondContact O-N 2.92Å; A53-A56 PolarHBondContact O-N 3.5Å; A53-C57 WeakPolarHBondContact O-CB 3.41Å; A53-C57 PolarHBondContact O-N 3.24Å |
| 54 | A | 94.9 | Very high | 90.5 | Very high | 62 Ų | 62 | 95.5 Ų | 95.5 | 51% | 0.512 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | C50 R51 A56 C57 A58 | C50-A54 WeakPolarHBondContact O-CB 3.47Å; C50-A54 PolarHBondContact O-N 3.38Å; R51-A54 PolarHBondContact O-N 3.16Å; A54-A56 VanDerWaalsContact C-N 3.34Å; A54-A56 PolarHBondContact O-N 2.91Å; A54-C57 PolarHBondContact O-N 3.36Å; A54-A58 WeakPolarHBondContact O-CB 3.31Å; A54-A58 PolarHBondContact O-N 2.89Å |
| 55 | E | 95.2 | Very high | 90 | Very high | 79 Ų | 79 | 100 Ų | 100 | 37% | 0.369 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.5 | -40 | 175.1 | -75.7 | 171.8 | -171.4 | 0 | 0 | 112.6 | R51 R52 R59 | R51-E55 WeakPolarHBondContact CG-OE1 3.44Å; R51-E55 IonicContact CZ-OE1 3.08Å; R51-E55 IonicContact NE-OE1 3.87Å; R51-E55 VanDerWaalsContact NH1-CD 3.3Å; R51-E55 IonicContact NH1-OE1 3.68Å; R51-E55 PolarHBondContact NH1-OE1 3.31Å; R51-E55 IonicContact NH1-OE2 3.89Å; R51-E55 PolarHBondContact NH1-OE2 2.92Å; R51-E55 WeakPolarHBondContact O-CB 3.46Å; R51-E55 WeakPolarHBondContact O-CG 3.38Å; R51-E55 PolarHBondContact O-N 3.41Å; R52-E55 PolarHBondContact O-N 2.94Å; E55-R59 WeakPolarHBondContact O-CG 3.01Å; E55-R59 PolarHBondContact O-N 3.36Å |
| 56 | A | 91.1 | Very high | 89.7 | Confident | 58 Ų | 58 | 100.4 Ų | 100.4 | 48% | 0.479 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.6 | -40.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R52 A53 A54 A58 R59 | R52-A56 WeakPolarHBondContact O-CB 3.35Å; R52-A56 PolarHBondContact O-N 3.45Å; A53-A56 PolarHBondContact O-N 3.5Å; A54-A56 VanDerWaalsContact C-N 3.34Å; A54-A56 PolarHBondContact O-N 2.91Å; A56-A58 VanDerWaalsContact C-N 3.35Å; A56-R59 PolarHBondContact O-N 2.93Å |
| 57 | C | 89.8 | Confident | 89.4 | Confident | 93 Ų | 93 | 99.3 Ų | 99.3 | 63% | 0.628 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.8 | -37.9 | 177 | -170.4 | 0 | 0 | 0 | 0 | 112.3 | A53 A54 R59 | A53-C57 WeakPolarHBondContact O-CB 3.41Å; A53-C57 PolarHBondContact O-N 3.24Å; A54-C57 PolarHBondContact O-N 3.36Å; C57-R59 VanDerWaalsContact C-N 3.27Å; C57-R59 PolarHBondContact O-N 3Å |
| 58 | A | 92.3 | Very high | 89.1 | Confident | 87 Ų | 87 | 96.9 Ų | 96.9 | 72% | 0.719 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -10.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | A54 A56 | A54-A58 WeakPolarHBondContact O-CB 3.31Å; A54-A58 PolarHBondContact O-N 2.89Å; A56-A58 VanDerWaalsContact C-N 3.35Å |
| 59 | R | 87.8 | Confident | 88.8 | Confident | 164 Ų | 164 | 97.7 Ų | 97.7 | 62% | 0.619 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -69.7 | 150.2 | 177.1 | -75.2 | 167.9 | -166.7 | -166.8 | 0.4 | 110.7 | E55 A56 C57 H61 | E55-R59 WeakPolarHBondContact O-CG 3.01Å; E55-R59 PolarHBondContact O-N 3.36Å; A56-R59 PolarHBondContact O-N 2.93Å; C57-R59 VanDerWaalsContact C-N 3.27Å; C57-R59 PolarHBondContact O-N 3Å; R59-H61 PolarHBondContact O-N 3.28Å |
| 60 | P | 85.3 | Confident | 88.5 | Confident | 122 Ų | 122 | 99.6 Ų | 99.6 | 79% | 0.792 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 131.4 | 173.6 | -25.3 | 33.4 | 0 | 0 | 0 | 111.2 | G62 | P60-G62 PolarHBondContact O-N 3.27Š|
| 61 | H | 78.9 | Confident | 88.4 | Confident | 183 Ų | 183 | 101.3 Ų | 101.3 | 85% | 0.847 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -67.5 | 120.8 | 177 | -61.6 | -58.4 | 0 | 0 | 0 | 109.8 | R59 | R59-H61 PolarHBondContact O-N 3.28Š|
| 62 | G | 78.1 | Confident | 88.3 | Confident | 59 Ų | 59 | 106.5 Ų | 106.5 | 61% | 0.608 | 61% | 0.611 | S | S | * | * | S | Bend | trans | 149.7 | 154.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P60 | P60-G62 PolarHBondContact O-N 3.27Š|
| 63 | P | 80.6 | Confident | 88 | Confident | 98 Ų | 98 | 104.7 Ų | 104.7 | 64% | 0.636 | 62% | 0.619 | S | S | * | * | trans | -63.3 | 147.6 | 171.4 | 29.3 | -34.4 | 0 | 0 | 0 | 110.1 | L67 | P63-L67 HydrophobicContact CB-CB 3.94Å; P63-L67 HydrophobicContact CB-CD2 3.3Å; P63-L67 HydrophobicContact CB-CG 4.22Å | ||
| 64 | P | 83.6 | Confident | 87.9 | Confident | 70 Ų | 70 | 108.5 Ų | 108.5 | 46% | 0.455 | 63% | 0.632 | S | S | . | * | trans | -50.1 | 146.5 | 167.8 | -27.6 | 34.4 | 0 | 0 | 0 | 111.3 | D66 L67 | P64-D66 VanDerWaalsContact CB-OD1 3.3Å; P64-D66 WeakPolarHBondContact CB-OD1 3.43Å; P64-D66 PolarHBondContact O-N 2.94Å; P64-L67 HydrophobicContact CB-CB 4.38Å; P64-L67 VanDerWaalsContact O-CB 3.28Å; P64-L67 WeakPolarHBondContact O-CB 3.3Å; P64-L67 PolarHBondContact O-N 3.08Å | ||
| 65 | P | 82.6 | Confident | 87.7 | Confident | 146 Ų | 146 | 108.4 Ų | 108.4 | 95% | 0.948 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -26.7 | -176.3 | -25.4 | 32.9 | 0 | 0 | 0 | 114.3 | ||
| 66 | D | 87.1 | Confident | 87.2 | Confident | 71 Ų | 71 | 109.3 Ų | 109.3 | 38% | 0.38 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.9 | -1.7 | -178.9 | 70.7 | -30.6 | 0 | 0 | 0 | 113.9 | P64 A68 A69 R70 | P64-D66 VanDerWaalsContact CB-OD1 3.3Å; P64-D66 WeakPolarHBondContact CB-OD1 3.43Å; P64-D66 PolarHBondContact O-N 2.94Å; D66-A68 VanDerWaalsContact C-N 3.35Å; D66-A68 PolarHBondContact O-N 2.92Å; D66-A69 PolarHBondContact O-N 3.25Å; D66-A69 VanDerWaalsContact O-N 3.14Å; D66-R70 PolarHBondContact O-N 3.14Å; D66-R70 IonicContact OD1-NH1 2.81Å; D66-R70 WeakPolarHBondContact OD2-CD 3.32Å; D66-R70 IonicContact OD2-CZ 3.01Å; D66-R70 IonicContact OD2-NE 2.76Å; D66-R70 IonicContact OD2-NH1 3.79Å; D66-R70 PolarHBondContact OD2-NH1 3.49Å; D66-R70 VanDerWaalsContact OD2-NH1 3.08Å |
| 67 | L | 86.8 | Confident | 87.1 | Confident | 53 Ų | 53 | 114.2 Ų | 114.2 | 28% | 0.277 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -60.7 | -45.3 | -171.7 | -176 | 67.6 | 0 | 0 | 0 | 111.5 | P63 P64 A69 R70 L71 | P63-L67 HydrophobicContact CB-CB 3.94Å; P63-L67 HydrophobicContact CB-CD2 3.3Å; P63-L67 HydrophobicContact CB-CG 4.22Å; P64-L67 HydrophobicContact CB-CB 4.38Å; P64-L67 VanDerWaalsContact O-CB 3.28Å; P64-L67 WeakPolarHBondContact O-CB 3.3Å; P64-L67 PolarHBondContact O-N 3.08Å; L67-A69 PolarHBondContact O-N 3.04Å; L67-R70 PolarHBondContact O-N 3.28Å; L67-L71 HydrophobicContact CD1-CD1 4.27Å; L67-L71 HydrophobicContact CD1-CD2 4.34Å; L67-L71 HydrophobicContact CD1-CG 4.12Å; L67-L71 HydrophobicContact CD2-CD1 4.09Å; L67-L71 HydrophobicContact CG-CD1 3.75Å; L67-L71 HydrophobicContact CG-CG 4.05Å; L67-L71 WeakPolarHBondContact O-CG 3.28Å; L67-L71 PolarHBondContact O-N 3.48Å |
| 68 | A | 85.6 | Confident | 86.9 | Confident | 86 Ų | 86 | 119.5 Ų | 119.5 | 71% | 0.711 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -60.3 | -34.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D66 R70 | D66-A68 VanDerWaalsContact C-N 3.35Å; D66-A68 PolarHBondContact O-N 2.92Å; A68-R70 VanDerWaalsContact C-N 3.3Å; A68-R70 PolarHBondContact O-N 3.35Å |
| 69 | A | 89.1 | Confident | 86.7 | Confident | 91 Ų | 91 | 118.1 Ų | 118.1 | 75% | 0.752 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -73.1 | -22.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | D66 L67 | D66-A69 PolarHBondContact O-N 3.25Å; D66-A69 VanDerWaalsContact O-N 3.14Å; L67-A69 PolarHBondContact O-N 3.04Å |
| 70 | R | 89.6 | Confident | 86.5 | Confident | 166 Ų | 166 | 112.6 Ų | 112.6 | 63% | 0.626 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -93.9 | -23.7 | -179.1 | -70.7 | 166.4 | 55.9 | -165.4 | -2.6 | 113.5 | D66 L67 A68 R72 | D66-R70 PolarHBondContact O-N 3.14Å; D66-R70 IonicContact OD1-NH1 2.81Å; D66-R70 WeakPolarHBondContact OD2-CD 3.32Å; D66-R70 IonicContact OD2-CZ 3.01Å; D66-R70 IonicContact OD2-NE 2.76Å; D66-R70 IonicContact OD2-NH1 3.79Å; D66-R70 PolarHBondContact OD2-NH1 3.49Å; D66-R70 VanDerWaalsContact OD2-NH1 3.08Å; L67-R70 PolarHBondContact O-N 3.28Å; A68-R70 VanDerWaalsContact C-N 3.3Å; A68-R70 PolarHBondContact O-N 3.35Å; R70-R72 PolarHBondContact O-N 3.01Å |
| 71 | L | 91.9 | Very high | 86.4 | Confident | 116 Ų | 116 | 113.4 Ų | 113.4 | 61% | 0.607 | 62% | 0.623 | S | S | * | * | trans | -75.7 | 123.4 | 178.7 | -70.3 | 175 | 0 | 0 | 0 | 110.2 | L67 | L67-L71 HydrophobicContact CD1-CD1 4.27Å; L67-L71 HydrophobicContact CD1-CD2 4.34Å; L67-L71 HydrophobicContact CD1-CG 4.12Å; L67-L71 HydrophobicContact CD2-CD1 4.09Å; L67-L71 HydrophobicContact CG-CD1 3.75Å; L67-L71 HydrophobicContact CG-CG 4.05Å; L67-L71 WeakPolarHBondContact O-CG 3.28Å; L67-L71 PolarHBondContact O-N 3.48Å | ||
| 72 | R | 92.1 | Very high | 86.5 | Confident | 223 Ų | 223 | 108.2 Ų | 108.2 | 84% | 0.842 | 61% | 0.611 | S | S | * | * | trans | -123.4 | 146.3 | 171.8 | -67.7 | -173.9 | -68.9 | -174.2 | -1.3 | 109.5 | R70 | R70-R72 PolarHBondContact O-N 3.01Š| ||
| 73 | P | 90.3 | Very high | 86.6 | Confident | 122 Ų | 122 | 110.7 Ų | 110.7 | 79% | 0.792 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 150.1 | 170.7 | -22.2 | 32.9 | 0 | 0 | 0 | 111.1 | ||
| 74 | L | 92.9 | Very high | 86.4 | Confident | 129 Ų | 129 | 115.6 Ų | 115.6 | 68% | 0.675 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 141.9 | 168.5 | -69.9 | 173.4 | 0 | 0 | 0 | 109.7 | V79 | L74-V79 HydrophobicContact CB-CG2 3.66Å; L74-V79 HydrophobicContact CD1-CG2 4.33Å |
| 75 | P | 91.1 | Very high | 86.3 | Confident | 60 Ų | 60 | 113.5 Ų | 113.5 | 39% | 0.39 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 139.4 | 173.9 | -23 | 32.6 | 0 | 0 | 0 | 111.2 | E77 R78 | P75-E77 VanDerWaalsContact CB-OE2 3.24Å; P75-E77 WeakPolarHBondContact CB-OE2 3.24Å; P75-E77 PolarHBondContact O-N 3.2Å; P75-R78 HydrophobicContact CB-CG 4.48Å; P75-R78 PolarHBondContact O-N 3.06Å |
| 76 | P | 85.9 | Confident | 86.5 | Confident | 98 Ų | 98 | 110.4 Ų | 110.4 | 64% | 0.636 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -62.3 | -28.2 | -174.4 | 24.8 | -32.7 | 0 | 0 | 0 | 113 | R78 V79 | P76-R78 PolarHBondContact O-N 3.19Å; P76-V79 PolarHBondContact O-N 2.97Å |
| 77 | E | 87.5 | Confident | 86.4 | Confident | 161 Ų | 161 | 110.7 Ų | 110.7 | 75% | 0.752 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -66.2 | -17.8 | 176.9 | -51 | 74.7 | -160.3 | 0 | 0 | 112.3 | P75 | P75-E77 VanDerWaalsContact CB-OE2 3.24Å; P75-E77 WeakPolarHBondContact CB-OE2 3.24Å; P75-E77 PolarHBondContact O-N 3.2Å |
| 78 | R | 85.6 | Confident | 86.5 | Confident | 205 Ų | 205 | 115.8 Ų | 115.8 | 77% | 0.774 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -99.9 | 3.3 | 176.8 | -59.4 | -172.3 | 178 | -149.9 | -1.8 | 113 | P75 P76 | P75-R78 HydrophobicContact CB-CG 4.48Å; P75-R78 PolarHBondContact O-N 3.06Å; P76-R78 PolarHBondContact O-N 3.19Å |
| 79 | V | 88.1 | Confident | 86.5 | Confident | 58 Ų | 58 | 113.1 Ų | 113.1 | 35% | 0.352 | 59% | 0.591 | S | S | . | * | trans | -125.9 | 109 | -173.2 | -177.8 | 0 | 0 | 0 | 0 | 110.3 | L74 P76 R81 | L74-V79 HydrophobicContact CB-CG2 3.66Å; L74-V79 HydrophobicContact CD1-CG2 4.33Å; P76-V79 PolarHBondContact O-N 2.97Å; V79-R81 HydrophobicContact CG1-CG 4.34Å | ||
| 80 | G | 84.5 | Confident | 86.4 | Confident | 48 Ų | 48 | 113.4 Ų | 113.4 | 50% | 0.495 | 57% | 0.572 | S | S | . | * | trans | -82 | 145 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 81 | R | 83.4 | Confident | 86.3 | Confident | 139 Ų | 139 | 113.3 Ų | 113.3 | 53% | 0.525 | 57% | 0.572 | S | S | . | * | trans | -134.8 | 111.4 | 175.5 | -71.7 | -175.5 | -175.8 | -120.5 | 1.9 | 110.7 | V79 S83 R84 S85 | V79-R81 HydrophobicContact CG1-CG 4.34Å; R81-S83 PolarHBondContact O-N 3.44Å; R81-R84 HydrophobicContact CB-CB 4Å; R81-R84 CarbonylContact O-C 3.6Å; R81-R84 PolarHBondContact O-N 3.06Å; R81-S85 PolarHBondContact N-OG 3.01Å; R81-S85 VanDerWaalsContact O-CB 3.25Å; R81-S85 WeakPolarHBondContact O-CB 3.47Å; R81-S85 PolarHBondContact O-N 3.25Å; R81-S85 PolarHBondContact O-OG 3.33Å | ||
| 82 | A | 80.8 | Confident | 86.2 | Confident | 73 Ų | 73 | 114.1 Ų | 114.1 | 60% | 0.603 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | -28.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R90 | A82-R90 VanDerWaalsContact O-CD 3.28Å; A82-R90 WeakPolarHBondContact O-CD 3.34Å; A82-R90 PolarHBondContact O-NH1 3.17Å; A82-R90 VanDerWaalsContact O-NH1 3.15Å |
| 83 | S | 78.9 | Confident | 86.1 | Confident | 111 Ų | 111 | 108.3 Ų | 108.3 | 78% | 0.776 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -12.2 | 178.3 | 57.6 | 0 | 0 | 0 | 0 | 115 | R81 | R81-S83 PolarHBondContact O-N 3.44Š|
| 84 | R | 77.3 | Confident | 86.1 | Confident | 201 Ų | 201 | 108.7 Ų | 108.7 | 76% | 0.758 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.2 | -9.4 | -175.7 | -64.9 | -168.2 | 178.5 | -168.1 | -1.8 | 114.3 | R81 | R81-R84 HydrophobicContact CB-CB 4Å; R81-R84 CarbonylContact O-C 3.6Å; R81-R84 PolarHBondContact O-N 3.06Å |
| 85 | S | 82.3 | Confident | 86.1 | Confident | 27 Ų | 27 | 108.8 Ų | 108.8 | 19% | 0.189 | 53% | 0.533 | C | S | . | . | S | Bend | trans | -75.5 | 143.2 | 170.1 | -67.3 | 0 | 0 | 0 | 0 | 109.5 | R81 W93 | R81-S85 PolarHBondContact N-OG 3.01Å; R81-S85 VanDerWaalsContact O-CB 3.25Å; R81-S85 WeakPolarHBondContact O-CB 3.47Å; R81-S85 PolarHBondContact O-N 3.25Å; R81-S85 PolarHBondContact O-OG 3.33Å; S85-W93 WeakPolarHBondContact OG-CH2 3.49Å |
| 86 | D | 85.6 | Confident | 86 | Confident | 80 Ų | 80 | 111.4 Ų | 111.4 | 43% | 0.428 | 54% | 0.541 | S | S | . | . | trans | -61.4 | 154 | 174.5 | 61.9 | -97 | 0 | 0 | 0 | 111.1 | E88 T89 R90 | D86-E88 PolarHBondContact O-N 2.84Å; D86-E88 PolarHBondContact OD2-N 3.14Å; D86-T89 VanDerWaalsContact CG-OG1 3.23Å; D86-T89 PolarHBondContact O-N 2.93Å; D86-T89 PolarHBondContact OD1-OG1 3.42Å; D86-T89 VanDerWaalsContact OD2-CB 3.22Å; D86-T89 WeakPolarHBondContact OD2-CB 3.29Å; D86-T89 PolarHBondContact OD2-N 3.43Å; D86-T89 PolarHBondContact OD2-OG1 2.92Å; D86-R90 PolarHBondContact O-N 2.7Å | ||
| 87 | P | 85.5 | Confident | 86.1 | Confident | 78 Ų | 78 | 109.9 Ų | 109.9 | 51% | 0.506 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.3 | -28.3 | -178.5 | -26 | 35.7 | 0 | 0 | 0 | 115 | R91 | P87-R91 WeakPolarHBondContact O-CG 3.37Å; P87-R91 PolarHBondContact O-N 2.91Å; P87-R91 VanDerWaalsContact O-N 3.12Å |
| 88 | E | 88.3 | Confident | 85.8 | Confident | 159 Ų | 159 | 108 Ų | 108 | 74% | 0.743 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -75.7 | -43.8 | -177.4 | -65.4 | -173.4 | 163.9 | 0 | 0 | 111.7 | D86 R90 R91 R92 | D86-E88 PolarHBondContact O-N 2.84Å; D86-E88 PolarHBondContact OD2-N 3.14Å; E88-R90 PolarHBondContact O-N 3.2Å; E88-R91 PolarHBondContact O-N 3.39Å; E88-R92 PolarHBondContact O-N 3Å |
| 89 | T | 86.3 | Confident | 84.7 | Confident | 31 Ų | 31 | 106 Ų | 106 | 19% | 0.19 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -57.2 | -39.1 | 172.8 | -66.3 | 0 | 0 | 0 | 0 | 110.8 | D86 W93 | D86-T89 VanDerWaalsContact CG-OG1 3.23Å; D86-T89 PolarHBondContact O-N 2.93Å; D86-T89 PolarHBondContact OD1-OG1 3.42Å; D86-T89 VanDerWaalsContact OD2-CB 3.22Å; D86-T89 WeakPolarHBondContact OD2-CB 3.29Å; D86-T89 PolarHBondContact OD2-N 3.43Å; D86-T89 PolarHBondContact OD2-OG1 2.92Å; T89-W93 HydrophobicContact CG2-CD2 4.19Å; T89-W93 HydrophobicContact CG2-CH2 3.9Å; T89-W93 HydrophobicContact CG2-CZ2 3.42Å; T89-W93 VanDerWaalsContact CG2-CZ2 3.42Å; T89-W93 HydrophobicContact CG2-CZ3 4.46Å; T89-W93 VanDerWaalsContact O-CG 3.28Å; T89-W93 PolarHBondContact O-N 3.1Å; T89-W93 VanDerWaalsContact O-N 3.14Å |
| 90 | R | 86.2 | Confident | 84.5 | Confident | 96 Ų | 96 | 108.4 Ų | 108.4 | 36% | 0.362 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.2 | -45.5 | 176.7 | -66.7 | -175.8 | -59.9 | 160 | 10.5 | 112.4 | A82 D86 E88 R92 W93 E94 | A82-R90 VanDerWaalsContact O-CD 3.28Å; A82-R90 WeakPolarHBondContact O-CD 3.34Å; A82-R90 PolarHBondContact O-NH1 3.17Å; A82-R90 VanDerWaalsContact O-NH1 3.15Å; D86-R90 PolarHBondContact O-N 2.7Å; E88-R90 PolarHBondContact O-N 3.2Å; R90-R92 VanDerWaalsContact C-N 3.3Å; R90-R92 PolarHBondContact O-N 3.49Å; R90-W93 HydrophobicContact CG-CE3 4.39Å; R90-W93 HydrophobicContact CG-CZ3 4.36Å; R90-W93 PolarHBondContact O-N 3.48Å; R90-E94 WeakPolarHBondContact O-CG 3.38Å; R90-E94 PolarHBondContact O-N 2.93Å; R90-E94 VanDerWaalsContact O-N 3.08Å |
| 91 | R | 88.4 | Confident | 84.5 | Confident | 165 Ų | 165 | 111.6 Ų | 111.6 | 62% | 0.623 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -60.2 | -41.1 | 175.4 | -75.1 | 179.9 | -178.7 | -143.6 | 1 | 111.9 | P87 E88 W93 E94 E95 | P87-R91 WeakPolarHBondContact O-CG 3.37Å; P87-R91 PolarHBondContact O-N 2.91Å; P87-R91 VanDerWaalsContact O-N 3.12Å; E88-R91 PolarHBondContact O-N 3.39Å; R91-W93 VanDerWaalsContact C-N 3.33Å; R91-W93 PolarHBondContact O-N 3.15Å; R91-E94 WeakPolarHBondContact O-CB 3.22Å; R91-E94 PolarHBondContact O-N 3.31Å; R91-E94 VanDerWaalsContact O-N 3.1Å; R91-E95 WeakPolarHBondContact O-CG 3.45Å; R91-E95 PolarHBondContact O-N 3.18Å |
| 92 | R | 88.9 | Confident | 84.6 | Confident | 132 Ų | 132 | 110.1 Ų | 110.1 | 50% | 0.498 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60.5 | -42.6 | 176.1 | -164.1 | -177.9 | 75.4 | -146.4 | -3.5 | 111.9 | E88 R90 E94 E95 E96 | E88-R92 PolarHBondContact O-N 3Å; R90-R92 VanDerWaalsContact C-N 3.3Å; R90-R92 PolarHBondContact O-N 3.49Å; R92-E94 VanDerWaalsContact C-N 3.3Å; R92-E94 PolarHBondContact O-N 3.31Å; R92-E95 PolarHBondContact O-N 3.24Å; R92-E96 WeakPolarHBondContact CD-OE1 3.41Å; R92-E96 HydrophobicContact CG-CG 4.45Å; R92-E96 WeakPolarHBondContact CG-OE1 3.41Å; R92-E96 IonicContact NE-OE1 3.17Å; R92-E96 PolarHBondContact NE-OE1 3.21Å; R92-E96 WeakPolarHBondContact O-CB 3.41Å; R92-E96 VanDerWaalsContact O-CG 3.29Å; R92-E96 WeakPolarHBondContact O-CG 3.45Å; R92-E96 PolarHBondContact O-N 2.75Å |
| 93 | W | 90.5 | Very high | 84.8 | Confident | 102 Ų | 102 | 112.2 Ų | 112.2 | 39% | 0.386 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.9 | -35.8 | 174.5 | -63.5 | -24.9 | 0 | 0 | 0 | 112.9 | S85 T89 R90 R91 G97 | S85-W93 WeakPolarHBondContact OG-CH2 3.49Å; T89-W93 HydrophobicContact CG2-CD2 4.19Å; T89-W93 HydrophobicContact CG2-CH2 3.9Å; T89-W93 HydrophobicContact CG2-CZ2 3.42Å; T89-W93 VanDerWaalsContact CG2-CZ2 3.42Å; T89-W93 HydrophobicContact CG2-CZ3 4.46Å; T89-W93 VanDerWaalsContact O-CG 3.28Å; T89-W93 PolarHBondContact O-N 3.1Å; T89-W93 VanDerWaalsContact O-N 3.14Å; R90-W93 HydrophobicContact CG-CE3 4.39Å; R90-W93 HydrophobicContact CG-CZ3 4.36Å; R90-W93 PolarHBondContact O-N 3.48Å; R91-W93 VanDerWaalsContact C-N 3.33Å; R91-W93 PolarHBondContact O-N 3.15Å; W93-G97 PolarHBondContact O-N 3.43Å |
| 94 | E | 89.6 | Confident | 85.2 | Confident | 129 Ų | 129 | 112.3 Ų | 112.3 | 60% | 0.603 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.2 | -44.7 | 176.6 | -69.8 | 166.1 | -175.5 | 0 | 0 | 111.5 | R90 R91 R92 G97 T98 | R90-E94 WeakPolarHBondContact O-CG 3.38Å; R90-E94 PolarHBondContact O-N 2.93Å; R90-E94 VanDerWaalsContact O-N 3.08Å; R91-E94 WeakPolarHBondContact O-CB 3.22Å; R91-E94 PolarHBondContact O-N 3.31Å; R91-E94 VanDerWaalsContact O-N 3.1Å; R92-E94 VanDerWaalsContact C-N 3.3Å; R92-E94 PolarHBondContact O-N 3.31Å; E94-G97 PolarHBondContact O-N 2.89Å; E94-T98 WeakPolarHBondContact O-CB 3.25Å; E94-T98 WeakPolarHBondContact O-CG2 3.28Å; E94-T98 PolarHBondContact O-N 2.71Å; E94-T98 PolarHBondContact O-OG1 3.48Å |
| 95 | E | 92.8 | Very high | 85.7 | Confident | 131 Ų | 131 | 106.4 Ų | 106.4 | 61% | 0.612 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.6 | -42.3 | 177.5 | -70 | 168.2 | -171.6 | 0 | 0 | 111.6 | R91 R92 T98 S99 | R91-E95 WeakPolarHBondContact O-CG 3.45Å; R91-E95 PolarHBondContact O-N 3.18Å; R92-E95 PolarHBondContact O-N 3.24Å; E95-T98 PolarHBondContact O-N 3.12Å; E95-T98 PolarHBondContact O-OG1 3.08Å; E95-S99 PolarHBondContact O-N 3.21Å |
| 96 | E | 90.8 | Very high | 85.9 | Confident | 116 Ų | 116 | 112.1 Ų | 112.1 | 54% | 0.542 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.2 | -38.4 | 176.6 | -75.3 | 172.3 | -161.6 | 0 | 0 | 112.4 | R92 T98 | R92-E96 WeakPolarHBondContact CD-OE1 3.41Å; R92-E96 HydrophobicContact CG-CG 4.45Å; R92-E96 WeakPolarHBondContact CG-OE1 3.41Å; R92-E96 IonicContact NE-OE1 3.17Å; R92-E96 PolarHBondContact NE-OE1 3.21Å; R92-E96 WeakPolarHBondContact O-CB 3.41Å; R92-E96 VanDerWaalsContact O-CG 3.29Å; R92-E96 WeakPolarHBondContact O-CG 3.45Å; R92-E96 PolarHBondContact O-N 2.75Å; E96-T98 VanDerWaalsContact C-N 3.35Å |
| 97 | G | 87.3 | Confident | 86 | Confident | 65 Ų | 65 | 114.5 Ų | 114.5 | 67% | 0.67 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -80.7 | -11.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | W93 E94 | W93-G97 PolarHBondContact O-N 3.43Å; E94-G97 PolarHBondContact O-N 2.89Å |
| 98 | T | 80.4 | Confident | 86 | Confident | 123 Ų | 123 | 117.6 Ų | 117.6 | 76% | 0.755 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -109.6 | -2.4 | 179.2 | 52.9 | 0 | 0 | 0 | 0 | 113.6 | E94 E95 E96 | E94-T98 WeakPolarHBondContact O-CB 3.25Å; E94-T98 WeakPolarHBondContact O-CG2 3.28Å; E94-T98 PolarHBondContact O-N 2.71Å; E94-T98 PolarHBondContact O-OG1 3.48Å; E95-T98 PolarHBondContact O-N 3.12Å; E95-T98 PolarHBondContact O-OG1 3.08Å; E96-T98 VanDerWaalsContact C-N 3.35Å |
| 99 | S | 62.7 | Low | 85.8 | Confident | 162 Ų | 162 | 113.8 Ų | 113.8 | 100% | 1.133 | 58% | 0.579 | S | S | * | * | trans | -82.2 | 0 | 169.2 | -175.5 | 0 | 0 | 0 | 0 | 112.4 | E95 | E95-S99 PolarHBondContact O-N 3.21Š|
Retrieved 99 of 99 residues in 19.7 ms
(Link to these results)