| 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 | 82.8 | Confident | 85.6 | Confident | 167 Ų | 167 | 79.4 Ų | 79.4 | 82% | 0.823 | 44% | 0.437 | S | S | * | . | 0 | 160.4 | 0 | -83.7 | 167.9 | 71.5 | 0 | 0 | 107.7 | I29 P30 E52 | M1-I29 HydrophobicContact CB-CG2 3.8Å; M1-I29 WeakPolarHBondContact O-CB 3.46Å; M1-I29 WeakPolarHBondContact O-CG2 3.42Å; M1-P30 WeakPolarHBondContact O-CD 3.29Å; M1-E52 PolarHBondContact N-OE2 2.92Å; M1-E52 VanDerWaalsContact N-OE2 3.1Å | |||
| 2 | V | 90.3 | Very high | 85.1 | Confident | 30 Ų | 30 | 81.5 Ų | 81.5 | 18% | 0.182 | 46% | 0.461 | C | S | . | . | trans | -139.3 | 136.2 | -175.8 | -176.4 | 0 | 0 | 0 | 0 | 110.5 | V4 P30 I32 T48 L49 E52 | V2-V4 HydrophobicContact CG1-CG2 4.19Å; V2-P30 HydrophobicContact CB-CG 4.33Å; V2-P30 HydrophobicContact CG1-CG 4.14Å; V2-P30 HydrophobicContact CG2-CG 3.91Å; V2-I32 HydrophobicContact CG1-CD1 4.38Å; V2-T48 HydrophobicContact CG1-CG2 4.41Å; V2-T48 HydrophobicContact CG2-CG2 4.07Å; V2-L49 HydrophobicContact CG2-CB 4.21Å; V2-L49 HydrophobicContact CG2-CD1 4.01Å; V2-E52 HydrophobicContact CG2-CB 4.48Å; V2-E52 HydrophobicContact CG2-CG 4.03Å | ||
| 3 | L | 92.1 | Very high | 84.6 | Confident | 51 Ų | 51 | 82 Ų | 82 | 27% | 0.267 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 131.1 | 171.9 | -173.8 | 64.7 | 0 | 0 | 0 | 110.2 | L23 A24 I29 P30 Y31 I32 | L3-L23 HydrophobicContact CD2-CD2 4.47Å; L3-A24 HydrophobicContact CB-CB 4.32Å; L3-A24 HydrophobicContact CD2-CB 3.9Å; L3-I29 HydrophobicContact CB-CD1 3.83Å; L3-I29 HydrophobicContact CB-CG1 4.23Å; L3-P30 PolarHBondContact N-O 3.29Å; L3-Y31 HydrophobicContact CB-CD2 4.06Å; L3-Y31 HydrophobicContact CD2-CD2 3.73Å; L3-Y31 HydrophobicContact CD2-CE2 4.25Å; L3-Y31 HydrophobicContact CG-CD2 3.77Å; L3-Y31 HydrophobicContact CG-CE2 4.27Å; L3-Y31 WeakPolarHBondContact O-CA 3.42Å; L3-I32 PolarHBondContact O-N 3.49Å |
| 4 | V | 92 | Very high | 84.5 | Confident | 68 Ų | 68 | 86.4 Ų | 86.4 | 41% | 0.412 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 119.8 | -177.5 | -173.9 | 0 | 0 | 0 | 0 | 110.4 | V2 I32 T34 A45 | V2-V4 HydrophobicContact CG1-CG2 4.19Å; V4-I32 CarbonylContact C-O 3.54Å; V4-I32 VanDerWaalsContact CA-O 3.31Å; V4-I32 WeakPolarHBondContact CA-O 3.44Å; V4-T34 HydrophobicContact CG1-CG2 3.66Å; V4-T34 VanDerWaalsContact CG1-OG1 3.31Å; V4-T34 WeakPolarHBondContact CG1-OG1 3.43Å; V4-A45 HydrophobicContact CG2-CB 4.36Å |
| 5 | G | 90.1 | Very high | 84.4 | Confident | 12 Ų | 12 | 85.2 Ų | 85.2 | 12% | 0.124 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 100.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | I32 E33 T34 | G5-I32 PolarHBondContact N-O 3.1Å; G5-E33 CarbonylContact O-C 3.55Å; G5-E33 WeakPolarHBondContact O-CA 3.45Å; G5-T34 PolarHBondContact O-N 3.49Å |
| 6 | N | 88.8 | Confident | 84.6 | Confident | 87 Ų | 87 | 85.8 Ų | 85.8 | 47% | 0.465 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 158.1 | 177.7 | -171.7 | 25 | 0 | 0 | 0 | 111.7 | T34 A36 | N6-T34 CarbonylContact C-O 3.47Å; N6-T34 VanDerWaalsContact CA-O 3.27Å; N6-T34 WeakPolarHBondContact CA-O 3.49Å; N6-A36 PolarHBondContact OD1-N 3.21Å |
| 7 | K | 84.5 | Confident | 84.7 | Confident | 133 Ų | 133 | 84.1 Ų | 84.1 | 58% | 0.578 | 47% | 0.472 | S | S | * | . | trans | 68.9 | 38.7 | -179.9 | -50.1 | 177.9 | -177.9 | 177.3 | 0 | 114 | D9 L10 T34 | K7-D9 WeakPolarHBondContact CA-OD1 3.45Å; K7-D9 PolarHBondContact O-N 3.39Å; K7-D9 VanDerWaalsContact O-N 3.09Å; K7-L10 PolarHBondContact O-N 2.99Å; K7-T34 PolarHBondContact N-O 3.5Å | ||
| 8 | C | 82.1 | Confident | 84.9 | Confident | 49 Ų | 49 | 88.9 Ų | 88.9 | 33% | 0.331 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -10.3 | 175.6 | 69.2 | 0 | 0 | 0 | 0 | 114.1 | L10 E33 T34 | C8-L10 VanDerWaalsContact C-N 3.34Å; C8-E33 HydrophobicContact CB-CB 4.13Å; C8-T34 PolarHBondContact N-O 3.04Å |
| 9 | D | 82 | Confident | 85.2 | Confident | 51 Ų | 51 | 90.7 Ų | 90.7 | 27% | 0.273 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -16.2 | 176.4 | 59 | -68.6 | 0 | 0 | 0 | 114.1 | K7 S35 T38 | K7-D9 WeakPolarHBondContact CA-OD1 3.45Å; K7-D9 PolarHBondContact O-N 3.39Å; K7-D9 VanDerWaalsContact O-N 3.09Å; D9-S35 VanDerWaalsContact CG-OG 3.24Å; D9-S35 VanDerWaalsContact OD1-CB 3.3Å; D9-S35 WeakPolarHBondContact OD1-CB 3.16Å; D9-S35 PolarHBondContact OD1-OG 3.45Å; D9-T38 HydrophobicContact CB-CG2 4.3Å |
| 10 | L | 83.4 | Confident | 85.4 | Confident | 89 Ų | 89 | 86.6 Ų | 86.6 | 47% | 0.466 | 47% | 0.465 | S | S | . | . | trans | -86.9 | 124.3 | 178.6 | -90.9 | 72.4 | 0 | 0 | 0 | 110.8 | K7 C8 S12 | K7-L10 PolarHBondContact O-N 2.99Å; C8-L10 VanDerWaalsContact C-N 3.34Å; L10-S12 PolarHBondContact O-N 3.25Å | ||
| 11 | P | 74.2 | Confident | 85.7 | Confident | 136 Ų | 136 | 86.5 Ų | 86.5 | 88% | 0.883 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -71.2 | -20.6 | 175.1 | 28.2 | -33.9 | 0 | 0 | 0 | 112.8 | R13 | P11-R13 VanDerWaalsContact C-N 3.29Å; P11-R13 PolarHBondContact O-N 3.47Å; P11-R13 VanDerWaalsContact O-N 3.08Å |
| 12 | S | 79.2 | Confident | 86.2 | Confident | 105 Ų | 105 | 83.1 Ų | 83.1 | 73% | 0.734 | 44% | 0.444 | S | S | * | . | trans | -84.8 | 69.3 | 175.6 | -174.3 | 0 | 0 | 0 | 0 | 110.6 | L10 | L10-S12 PolarHBondContact O-N 3.25Š| ||
| 13 | R | 78.9 | Confident | 86.2 | Confident | 88 Ų | 88 | 85.7 Ų | 85.7 | 33% | 0.332 | 46% | 0.457 | S | S | . | . | trans | -97.5 | 124.5 | 179 | -158.3 | -177.3 | 168.1 | -150.5 | -3.8 | 110.7 | P11 V15 T17 Y31 E33 | P11-R13 VanDerWaalsContact C-N 3.29Å; P11-R13 PolarHBondContact O-N 3.47Å; P11-R13 VanDerWaalsContact O-N 3.08Å; R13-V15 WeakPolarHBondContact CD-O 3.46Å; R13-V15 VanDerWaalsContact CG-O 3.26Å; R13-V15 WeakPolarHBondContact CG-O 3.42Å; R13-V15 PolarHBondContact NE-O 3.11Å; R13-V15 PolarHBondContact NH1-O 3.27Å; R13-T17 VanDerWaalsContact NH1-CA 3.33Å; R13-T17 PolarHBondContact NH1-OG1 3.48Å; R13-Y31 PolarHBondContact NH2-OH 3.32Å; R13-E33 IonicContact CZ-OE1 3.34Å; R13-E33 IonicContact NH1-OE1 2.71Å; R13-E33 PolarHBondContact NH1-OE1 3.12Å; R13-E33 IonicContact NH2-OE1 3.46Å; R13-E33 PolarHBondContact NH2-OE1 3.03Å | ||
| 14 | T | 82.8 | Confident | 86.3 | Confident | 143 Ų | 143 | 83.4 Ų | 83.4 | 88% | 0.877 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -76.8 | -26.6 | 178.2 | -45 | 0 | 0 | 0 | 0 | 112.8 | ||
| 15 | V | 83.3 | Confident | 86.2 | Confident | 69 Ų | 69 | 88.5 Ų | 88.5 | 42% | 0.418 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -106.9 | 127 | -179.7 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | R13 A20 | R13-V15 WeakPolarHBondContact CD-O 3.46Å; R13-V15 VanDerWaalsContact CG-O 3.26Å; R13-V15 WeakPolarHBondContact CG-O 3.42Å; R13-V15 PolarHBondContact NE-O 3.11Å; R13-V15 PolarHBondContact NH1-O 3.27Å; V15-A20 HydrophobicContact CG1-CB 4.25Å |
| 16 | D | 86.8 | Confident | 86.3 | Confident | 95 Ų | 95 | 92.2 Ų | 92.2 | 51% | 0.508 | 48% | 0.48 | S | S | . | . | trans | -74.3 | 145 | 176.3 | -163.5 | -85.1 | 0 | 0 | 0 | 111.1 | R18 Q19 A20 | D16-R18 PolarHBondContact O-N 3.47Å; D16-R18 VanDerWaalsContact OD1-CB 3.28Å; D16-R18 WeakPolarHBondContact OD1-CB 3.48Å; D16-R18 PolarHBondContact OD1-N 2.96Å; D16-Q19 HydrophobicContact CB-CG 4.25Å; D16-Q19 PolarHBondContact O-N 2.99Å; D16-A20 PolarHBondContact O-N 2.95Å; D16-A20 VanDerWaalsContact O-N 3.13Å | ||
| 17 | T | 86.8 | Confident | 86.4 | Confident | 56 Ų | 56 | 95.7 Ų | 95.7 | 34% | 0.344 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57 | -37.1 | 177.7 | -58.8 | 0 | 0 | 0 | 0 | 111.2 | R13 A20 Q21 Y31 E33 | R13-T17 VanDerWaalsContact NH1-CA 3.33Å; R13-T17 PolarHBondContact NH1-OG1 3.48Å; T17-A20 PolarHBondContact O-N 3.49Å; T17-Q21 WeakPolarHBondContact O-CB 3.31Å; T17-Q21 PolarHBondContact O-N 3.19Å; T17-Y31 HydrophobicContact CG2-CE1 4.18Å; T17-E33 WeakPolarHBondContact CG2-OE1 3.37Å; T17-E33 PolarHBondContact OG1-OE1 3.1Å; T17-E33 VanDerWaalsContact OG1-OE1 3.1Å; T17-E33 PolarHBondContact OG1-OE2 3.22Å |
| 18 | R | 88.6 | Confident | 86.6 | Confident | 172 Ų | 172 | 92.6 Ų | 92.6 | 65% | 0.649 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.5 | -44.1 | 179.5 | -176 | 179.6 | 171.4 | 169.3 | 1.1 | 112.1 | D16 A20 Q21 E22 | D16-R18 PolarHBondContact O-N 3.47Å; D16-R18 VanDerWaalsContact OD1-CB 3.28Å; D16-R18 WeakPolarHBondContact OD1-CB 3.48Å; D16-R18 PolarHBondContact OD1-N 2.96Å; R18-A20 PolarHBondContact O-N 3.38Å; R18-Q21 PolarHBondContact O-N 2.99Å; R18-E22 IonicContact CZ-OE1 3.83Å; R18-E22 IonicContact NE-OE1 3.02Å; R18-E22 PolarHBondContact NE-OE1 3.45Å; R18-E22 IonicContact NH2-OE1 3.72Å; R18-E22 WeakPolarHBondContact O-CG 3.41Å; R18-E22 PolarHBondContact O-N 3.31Å |
| 19 | Q | 91.1 | Very high | 87 | Confident | 122 Ų | 122 | 91.9 Ų | 91.9 | 57% | 0.57 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.1 | -43.7 | 178.3 | -70.8 | -179.3 | -5.7 | 0 | 0 | 111.2 | D16 Q21 E22 L23 | D16-Q19 HydrophobicContact CB-CG 4.25Å; D16-Q19 PolarHBondContact O-N 2.99Å; Q19-Q21 VanDerWaalsContact C-N 3.29Å; Q19-Q21 PolarHBondContact O-N 3.49Å; Q19-E22 PolarHBondContact O-N 3.04Å; Q19-L23 WeakPolarHBondContact O-CB 3.41Å; Q19-L23 PolarHBondContact O-N 3.24Å |
| 20 | A | 89.4 | Confident | 87.4 | Confident | 8 Ų | 8 | 91.5 Ų | 91.5 | 7% | 0.066 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -62.9 | -37.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | V15 D16 T17 R18 L23 A24 Y31 | V15-A20 HydrophobicContact CG1-CB 4.25Å; D16-A20 PolarHBondContact O-N 2.95Å; D16-A20 VanDerWaalsContact O-N 3.13Å; T17-A20 PolarHBondContact O-N 3.49Å; R18-A20 PolarHBondContact O-N 3.38Å; A20-L23 PolarHBondContact O-N 2.96Å; A20-A24 WeakPolarHBondContact O-CB 3.43Å; A20-A24 PolarHBondContact O-N 3.38Å; A20-Y31 HydrophobicContact CB-CD2 4.37Å; A20-Y31 HydrophobicContact CB-CE1 4.08Å; A20-Y31 HydrophobicContact CB-CE2 3.7Å |
| 21 | Q | 90.6 | Very high | 87.9 | Confident | 86 Ų | 86 | 89.3 Ų | 89.3 | 40% | 0.402 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -70.5 | -39.8 | 177.3 | -168.2 | 173.1 | 18.8 | 0 | 0 | 112.6 | T17 R18 Q19 L23 A24 R25 Y31 | T17-Q21 WeakPolarHBondContact O-CB 3.31Å; T17-Q21 PolarHBondContact O-N 3.19Å; R18-Q21 PolarHBondContact O-N 2.99Å; Q19-Q21 VanDerWaalsContact C-N 3.29Å; Q19-Q21 PolarHBondContact O-N 3.49Å; Q21-L23 VanDerWaalsContact C-N 3.33Å; Q21-A24 PolarHBondContact O-N 2.93Å; Q21-R25 WeakPolarHBondContact O-CG 3.42Å; Q21-R25 PolarHBondContact O-N 3.36Å; Q21-Y31 HydrophobicContact CB-CD1 4.38Å |
| 22 | E | 92.9 | Very high | 88.8 | Confident | 95 Ų | 95 | 84.1 Ų | 84.1 | 44% | 0.444 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.1 | -40.5 | 173.9 | -76.2 | 173.5 | -167.9 | 0 | 0 | 111.3 | R18 Q19 R25 S26 | R18-E22 IonicContact CZ-OE1 3.83Å; R18-E22 IonicContact NE-OE1 3.02Å; R18-E22 PolarHBondContact NE-OE1 3.45Å; R18-E22 IonicContact NH2-OE1 3.72Å; R18-E22 WeakPolarHBondContact O-CG 3.41Å; R18-E22 PolarHBondContact O-N 3.31Å; Q19-E22 PolarHBondContact O-N 3.04Å; E22-R25 WeakPolarHBondContact O-CB 3.39Å; E22-R25 PolarHBondContact O-N 3.46Å; E22-S26 PolarHBondContact O-N 2.96Å |
| 23 | L | 91.3 | Very high | 89.3 | Confident | 85 Ų | 85 | 82.1 Ų | 82.1 | 45% | 0.445 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 173.9 | -171.4 | 73.1 | 0 | 0 | 0 | 111.9 | L3 Q19 A20 Q21 R25 S26 Y27 | L3-L23 HydrophobicContact CD2-CD2 4.47Å; Q19-L23 WeakPolarHBondContact O-CB 3.41Å; Q19-L23 PolarHBondContact O-N 3.24Å; A20-L23 PolarHBondContact O-N 2.96Å; Q21-L23 VanDerWaalsContact C-N 3.33Å; L23-R25 VanDerWaalsContact C-N 3.29Å; L23-R25 PolarHBondContact O-N 3.33Å; L23-S26 PolarHBondContact O-N 3.34Å; L23-S26 PolarHBondContact O-OG 2.96Å; L23-Y27 HydrophobicContact CD1-CD2 4.32Å; L23-Y27 HydrophobicContact CD1-CE2 3.65Å; L23-Y27 HydrophobicContact CD2-CE2 4.29Å; L23-Y27 HydrophobicContact CG-CD2 4.02Å; L23-Y27 HydrophobicContact CG-CE2 3.7Å; L23-Y27 WeakPolarHBondContact O-CD2 3.32Å; L23-Y27 PolarHBondContact O-N 3.47Å |
| 24 | A | 92.8 | Very high | 89.9 | Confident | 2 Ų | 2 | 78.4 Ų | 78.4 | 2% | 0.017 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | L3 A20 Q21 Y27 G28 I29 Y31 | L3-A24 HydrophobicContact CB-CB 4.32Å; L3-A24 HydrophobicContact CD2-CB 3.9Å; A20-A24 WeakPolarHBondContact O-CB 3.43Å; A20-A24 PolarHBondContact O-N 3.38Å; Q21-A24 PolarHBondContact O-N 2.93Å; A24-Y27 CarbonylContact O-C 3.33Å; A24-Y27 PolarHBondContact O-N 2.87Å; A24-G28 PolarHBondContact O-N 3.07Å; A24-I29 CarbonylContact C-O 3.46Å; A24-I29 HydrophobicContact CB-CG1 4.28Å; A24-I29 WeakPolarHBondContact CB-O 3.06Å; A24-I29 PolarHBondContact O-N 3.43Å; A24-I29 VanDerWaalsContact O-O 3.11Å; A24-Y31 HydrophobicContact CB-CG 4.43Å |
| 25 | R | 91.3 | Very high | 90.2 | Very high | 176 Ų | 176 | 71.6 Ų | 71.6 | 66% | 0.664 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.6 | -40.7 | 173.6 | -75.1 | 175.6 | 179.1 | 172.4 | 1.8 | 112.2 | Q21 E22 L23 Y27 G28 | Q21-R25 WeakPolarHBondContact O-CG 3.42Å; Q21-R25 PolarHBondContact O-N 3.36Å; E22-R25 WeakPolarHBondContact O-CB 3.39Å; E22-R25 PolarHBondContact O-N 3.46Å; L23-R25 VanDerWaalsContact C-N 3.29Å; L23-R25 PolarHBondContact O-N 3.33Å; R25-Y27 VanDerWaalsContact C-N 3.28Å; R25-Y27 PolarHBondContact O-N 3.25Å; R25-G28 PolarHBondContact O-N 3.46Å |
| 26 | S | 92.8 | Very high | 90.4 | Very high | 89 Ų | 89 | 71.6 Ų | 71.6 | 62% | 0.622 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -65.6 | -32.4 | 178.3 | 73 | 0 | 0 | 0 | 0 | 112.5 | E22 L23 G28 | E22-S26 PolarHBondContact O-N 2.96Å; L23-S26 PolarHBondContact O-N 3.34Å; L23-S26 PolarHBondContact O-OG 2.96Å; S26-G28 VanDerWaalsContact C-N 3.33Å |
| 27 | Y | 89.8 | Confident | 90.4 | Very high | 161 Ų | 161 | 75.4 Ų | 75.4 | 63% | 0.631 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -6.5 | 171.7 | -69.7 | -61.5 | 0 | 0 | 0 | 114.1 | L23 A24 R25 I29 | L23-Y27 HydrophobicContact CD1-CD2 4.32Å; L23-Y27 HydrophobicContact CD1-CE2 3.65Å; L23-Y27 HydrophobicContact CD2-CE2 4.29Å; L23-Y27 HydrophobicContact CG-CD2 4.02Å; L23-Y27 HydrophobicContact CG-CE2 3.7Å; L23-Y27 WeakPolarHBondContact O-CD2 3.32Å; L23-Y27 PolarHBondContact O-N 3.47Å; A24-Y27 CarbonylContact O-C 3.33Å; A24-Y27 PolarHBondContact O-N 2.87Å; R25-Y27 VanDerWaalsContact C-N 3.28Å; R25-Y27 PolarHBondContact O-N 3.25Å; Y27-I29 VanDerWaalsContact C-N 3.26Å; Y27-I29 PolarHBondContact O-N 2.93Å |
| 28 | G | 88.1 | Confident | 90.4 | Very high | 68 Ų | 68 | 76 Ų | 76 | 70% | 0.701 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 27.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A24 R25 S26 | A24-G28 PolarHBondContact O-N 3.07Å; R25-G28 PolarHBondContact O-N 3.46Å; S26-G28 VanDerWaalsContact C-N 3.33Å |
| 29 | I | 91.7 | Very high | 90.3 | Very high | 34 Ų | 34 | 77.9 Ų | 77.9 | 17% | 0.174 | 39% | 0.392 | C | S | . | . | trans | -114.5 | 148.9 | -178.7 | 63.3 | -176.4 | 0 | 0 | 0 | 111.1 | M1 L3 A24 Y27 | M1-I29 HydrophobicContact CB-CG2 3.8Å; M1-I29 WeakPolarHBondContact O-CB 3.46Å; M1-I29 WeakPolarHBondContact O-CG2 3.42Å; L3-I29 HydrophobicContact CB-CD1 3.83Å; L3-I29 HydrophobicContact CB-CG1 4.23Å; A24-I29 CarbonylContact C-O 3.46Å; A24-I29 HydrophobicContact CB-CG1 4.28Å; A24-I29 WeakPolarHBondContact CB-O 3.06Å; A24-I29 PolarHBondContact O-N 3.43Å; A24-I29 VanDerWaalsContact O-O 3.11Å; Y27-I29 VanDerWaalsContact C-N 3.26Å; Y27-I29 PolarHBondContact O-N 2.93Å | ||
| 30 | P | 91 | Very high | 90.2 | Very high | 43 Ų | 43 | 77.4 Ų | 77.4 | 28% | 0.279 | 39% | 0.39 | S | S | . | . | trans | -65.7 | 147 | 172 | 26.2 | -34.9 | 0 | 0 | 0 | 111.7 | M1 V2 L3 T48 E52 | M1-P30 WeakPolarHBondContact O-CD 3.29Å; V2-P30 HydrophobicContact CB-CG 4.33Å; V2-P30 HydrophobicContact CG1-CG 4.14Å; V2-P30 HydrophobicContact CG2-CG 3.91Å; L3-P30 PolarHBondContact N-O 3.29Å; P30-T48 HydrophobicContact CB-CG2 4.06Å; P30-T48 HydrophobicContact CG-CG2 3.72Å; P30-E52 HydrophobicContact CG-CG 4.42Å | ||
| 31 | Y | 93.2 | Very high | 90 | Very high | 42 Ų | 42 | 78 Ų | 78 | 17% | 0.165 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 132.3 | 174.4 | 176.5 | -114.9 | 0 | 0 | 0 | 110.7 | L3 R13 T17 A20 Q21 A24 E33 | L3-Y31 HydrophobicContact CB-CD2 4.06Å; L3-Y31 HydrophobicContact CD2-CD2 3.73Å; L3-Y31 HydrophobicContact CD2-CE2 4.25Å; L3-Y31 HydrophobicContact CG-CD2 3.77Å; L3-Y31 HydrophobicContact CG-CE2 4.27Å; L3-Y31 WeakPolarHBondContact O-CA 3.42Å; R13-Y31 PolarHBondContact NH2-OH 3.32Å; T17-Y31 HydrophobicContact CG2-CE1 4.18Å; A20-Y31 HydrophobicContact CB-CD2 4.37Å; A20-Y31 HydrophobicContact CB-CE1 4.08Å; A20-Y31 HydrophobicContact CB-CE2 3.7Å; Q21-Y31 HydrophobicContact CB-CD1 4.38Å; A24-Y31 HydrophobicContact CB-CG 4.43Å; Y31-E33 HydrophobicContact CD1-CG 4.42Å; Y31-E33 HydrophobicContact CE1-CG 3.44Å; Y31-E33 VanDerWaalsContact CE1-CG 3.44Å; Y31-E33 VanDerWaalsContact OH-CG 3.3Å; Y31-E33 WeakPolarHBondContact OH-CG 3.25Å; Y31-E33 PolarHBondContact OH-OE1 2.86Å |
| 32 | I | 91.7 | Very high | 90 | Very high | 27 Ų | 27 | 77 Ų | 77 | 14% | 0.138 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 133.6 | 179.1 | -61.2 | 173.5 | 0 | 0 | 0 | 109.7 | V2 L3 V4 G5 T34 A45 T48 | V2-I32 HydrophobicContact CG1-CD1 4.38Å; L3-I32 PolarHBondContact O-N 3.49Å; V4-I32 CarbonylContact C-O 3.54Å; V4-I32 VanDerWaalsContact CA-O 3.31Å; V4-I32 WeakPolarHBondContact CA-O 3.44Å; G5-I32 PolarHBondContact N-O 3.1Å; I32-T34 HydrophobicContact CG2-CG2 3.96Å; I32-A45 HydrophobicContact CB-CB 4.48Å; I32-A45 HydrophobicContact CD1-CB 4.45Å; I32-A45 HydrophobicContact CG2-CB 4.08Å; I32-T48 HydrophobicContact CD1-CG2 3.87Å; I32-T48 VanDerWaalsContact CD1-OG1 3.26Å; I32-T48 WeakPolarHBondContact CD1-OG1 3.45Å |
| 33 | E | 91 | Very high | 90 | Very high | 64 Ų | 64 | 79 Ų | 79 | 30% | 0.299 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 134.7 | 173.7 | -58.9 | -161.1 | 130 | 0 | 0 | 110.1 | G5 C8 R13 T17 Y31 | G5-E33 CarbonylContact O-C 3.55Å; G5-E33 WeakPolarHBondContact O-CA 3.45Å; C8-E33 HydrophobicContact CB-CB 4.13Å; R13-E33 IonicContact CZ-OE1 3.34Å; R13-E33 IonicContact NH1-OE1 2.71Å; R13-E33 PolarHBondContact NH1-OE1 3.12Å; R13-E33 IonicContact NH2-OE1 3.46Å; R13-E33 PolarHBondContact NH2-OE1 3.03Å; T17-E33 WeakPolarHBondContact CG2-OE1 3.37Å; T17-E33 PolarHBondContact OG1-OE1 3.1Å; T17-E33 VanDerWaalsContact OG1-OE1 3.1Å; T17-E33 PolarHBondContact OG1-OE2 3.22Å; Y31-E33 HydrophobicContact CD1-CG 4.42Å; Y31-E33 HydrophobicContact CE1-CG 3.44Å; Y31-E33 VanDerWaalsContact CE1-CG 3.44Å; Y31-E33 VanDerWaalsContact OH-CG 3.3Å; Y31-E33 WeakPolarHBondContact OH-CG 3.25Å; Y31-E33 PolarHBondContact OH-OE1 2.86Å |
| 34 | T | 92.3 | Very high | 90 | Very high | 9 Ų | 9 | 79.8 Ų | 79.8 | 6% | 0.055 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 152 | -176.3 | 63.8 | 0 | 0 | 0 | 0 | 110.6 | V4 G5 N6 K7 C8 I32 Q40 G41 A45 | V4-T34 HydrophobicContact CG1-CG2 3.66Å; V4-T34 VanDerWaalsContact CG1-OG1 3.31Å; V4-T34 WeakPolarHBondContact CG1-OG1 3.43Å; G5-T34 PolarHBondContact O-N 3.49Å; N6-T34 CarbonylContact C-O 3.47Å; N6-T34 VanDerWaalsContact CA-O 3.27Å; N6-T34 WeakPolarHBondContact CA-O 3.49Å; K7-T34 PolarHBondContact N-O 3.5Å; C8-T34 PolarHBondContact N-O 3.04Å; I32-T34 HydrophobicContact CG2-CG2 3.96Å; T34-Q40 CarbonylContact C-O 3.58Å; T34-Q40 VanDerWaalsContact CA-O 3.23Å; T34-Q40 WeakPolarHBondContact CA-O 3.37Å; T34-G41 VanDerWaalsContact CG2-C 3.49Å; T34-G41 VanDerWaalsContact CG2-O 3.25Å; T34-G41 WeakPolarHBondContact CG2-O 3.31Å; T34-A45 HydrophobicContact CG2-CB 3.82Å |
| 35 | S | 88.8 | Confident | 89.9 | Confident | 0 Ų | 0 | 80.4 Ų | 80.4 | 0% | 0 | 42% | 0.415 | C | S | . | . | B | Isolated β-bridge | trans | -126.7 | 113 | 163.8 | 174.3 | 0 | 0 | 0 | 0 | 108.6 | D9 K37 T38 R39 Q40 | D9-S35 VanDerWaalsContact CG-OG 3.24Å; D9-S35 VanDerWaalsContact OD1-CB 3.3Å; D9-S35 WeakPolarHBondContact OD1-CB 3.16Å; D9-S35 PolarHBondContact OD1-OG 3.45Å; S35-K37 PolarHBondContact O-N 2.96Å; S35-K37 PolarHBondContact OG-N 3.36Å; S35-T38 VanDerWaalsContact CB-OG1 3.23Å; S35-T38 WeakPolarHBondContact CB-OG1 3.02Å; S35-T38 PolarHBondContact O-N 2.74Å; S35-T38 PolarHBondContact OG-N 3.29Å; S35-T38 PolarHBondContact OG-OG1 2.98Å; S35-R39 CarbonylContact O-C 3.59Å; S35-R39 WeakPolarHBondContact O-CA 3.11Å; S35-R39 PolarHBondContact O-N 2.86Å; S35-Q40 PolarHBondContact N-O 3.34Å; S35-Q40 PolarHBondContact O-N 2.95Å |
| 36 | A | 86.8 | Confident | 89.9 | Confident | 69 Ų | 69 | 78.4 Ų | 78.4 | 57% | 0.57 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -25.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N6 | N6-A36 PolarHBondContact OD1-N 3.21Š|
| 37 | K | 87.1 | Confident | 89.9 | Confident | 176 Ų | 176 | 81.1 Ų | 81.1 | 77% | 0.765 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -45.9 | -179.1 | -174.2 | -178.1 | 179 | -174.8 | 0 | 112.1 | S35 | S35-K37 PolarHBondContact O-N 2.96Å; S35-K37 PolarHBondContact OG-N 3.36Å |
| 38 | T | 86.6 | Confident | 90 | Very high | 68 Ų | 68 | 75.1 Ų | 75.1 | 42% | 0.417 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -1.9 | 180 | 63.4 | 0 | 0 | 0 | 0 | 112.8 | D9 S35 Q40 | D9-T38 HydrophobicContact CB-CG2 4.3Å; S35-T38 VanDerWaalsContact CB-OG1 3.23Å; S35-T38 WeakPolarHBondContact CB-OG1 3.02Å; S35-T38 PolarHBondContact O-N 2.74Å; S35-T38 PolarHBondContact OG-N 3.29Å; S35-T38 PolarHBondContact OG-OG1 2.98Å; T38-Q40 PolarHBondContact O-N 3.38Å; T38-Q40 WeakPolarHBondContact OG1-CB 3.25Å; T38-Q40 VanDerWaalsContact OG1-CG 3.27Å; T38-Q40 WeakPolarHBondContact OG1-CG 3.26Å; T38-Q40 PolarHBondContact OG1-OE1 2.97Å |
| 39 | R | 86.4 | Confident | 90.1 | Very high | 211 Ų | 211 | 75.2 Ų | 75.2 | 80% | 0.796 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 14.9 | -171.6 | -59.4 | -179.7 | 177.8 | 171.2 | -1.1 | 114.1 | S35 | S35-R39 CarbonylContact O-C 3.59Å; S35-R39 WeakPolarHBondContact O-CA 3.11Å; S35-R39 PolarHBondContact O-N 2.86Å |
| 40 | Q | 89.4 | Confident | 90.2 | Very high | 113 Ų | 113 | 75.9 Ų | 75.9 | 53% | 0.528 | 38% | 0.379 | S | S | . | . | B | Isolated β-bridge | trans | -69.9 | 134.9 | 177.6 | -73.8 | 174.9 | -36 | 0 | 0 | 110.9 | T34 S35 T38 V42 | T34-Q40 CarbonylContact C-O 3.58Å; T34-Q40 VanDerWaalsContact CA-O 3.23Å; T34-Q40 WeakPolarHBondContact CA-O 3.37Å; S35-Q40 PolarHBondContact N-O 3.34Å; S35-Q40 PolarHBondContact O-N 2.95Å; T38-Q40 PolarHBondContact O-N 3.38Å; T38-Q40 WeakPolarHBondContact OG1-CB 3.25Å; T38-Q40 VanDerWaalsContact OG1-CG 3.27Å; T38-Q40 WeakPolarHBondContact OG1-CG 3.26Å; T38-Q40 PolarHBondContact OG1-OE1 2.97Å; Q40-V42 PolarHBondContact O-N 3.24Å |
| 41 | G | 85.8 | Confident | 90.1 | Very high | 20 Ų | 20 | 82 Ų | 82 | 21% | 0.206 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | -3.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | T34 E43 D44 A45 | T34-G41 VanDerWaalsContact CG2-C 3.49Å; T34-G41 VanDerWaalsContact CG2-O 3.25Å; T34-G41 WeakPolarHBondContact CG2-O 3.31Å; G41-E43 PolarHBondContact O-N 3.42Å; G41-D44 PolarHBondContact O-N 2.83Å; G41-A45 WeakPolarHBondContact O-CB 3.33Å; G41-A45 PolarHBondContact O-N 3.17Å |
| 42 | V | 90.3 | Very high | 89.9 | Confident | 66 Ų | 66 | 82.6 Ų | 82.6 | 40% | 0.4 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.1 | -42.2 | -177.3 | 178.9 | 0 | 0 | 0 | 0 | 111 | Q40 F46 | Q40-V42 PolarHBondContact O-N 3.24Å; V42-F46 PolarHBondContact O-N 3.41Å; V42-F46 VanDerWaalsContact O-N 3.12Å |
| 43 | E | 92.1 | Very high | 89.8 | Confident | 136 Ų | 136 | 85.3 Ų | 85.3 | 64% | 0.636 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -65 | -48.1 | 177.3 | -64.8 | -173.8 | 155.2 | 0 | 0 | 111.2 | G41 A45 F46 Y47 | G41-E43 PolarHBondContact O-N 3.42Å; E43-A45 VanDerWaalsContact C-N 3.31Å; E43-A45 PolarHBondContact O-N 3.02Å; E43-F46 PolarHBondContact O-N 3.33Å; E43-F46 VanDerWaalsContact O-N 3.1Å; E43-Y47 HydrophobicContact CB-CD2 4.25Å; E43-Y47 HydrophobicContact CB-CE2 4.04Å; E43-Y47 WeakPolarHBondContact O-CD2 3.49Å; E43-Y47 PolarHBondContact O-N 3.31Å |
| 44 | D | 90.4 | Very high | 89.6 | Confident | 102 Ų | 102 | 90.5 Ų | 90.5 | 55% | 0.545 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.1 | -40.7 | 178.7 | -65.8 | -36.8 | 0 | 0 | 0 | 112.3 | G41 F46 T48 | G41-D44 PolarHBondContact O-N 2.83Å; D44-F46 VanDerWaalsContact C-N 3.34Å; D44-F46 PolarHBondContact O-N 2.96Å; D44-T48 VanDerWaalsContact O-CB 3.25Å; D44-T48 WeakPolarHBondContact O-CB 3.16Å; D44-T48 PolarHBondContact O-N 2.97Å; D44-T48 PolarHBondContact O-OG1 3.02Å |
| 45 | A | 90.8 | Very high | 89.3 | Confident | 14 Ų | 14 | 94.1 Ų | 94.1 | 12% | 0.116 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V4 I32 T34 G41 E43 L49 | V4-A45 HydrophobicContact CG2-CB 4.36Å; I32-A45 HydrophobicContact CB-CB 4.48Å; I32-A45 HydrophobicContact CD1-CB 4.45Å; I32-A45 HydrophobicContact CG2-CB 4.08Å; T34-A45 HydrophobicContact CG2-CB 3.82Å; G41-A45 WeakPolarHBondContact O-CB 3.33Å; G41-A45 PolarHBondContact O-N 3.17Å; E43-A45 VanDerWaalsContact C-N 3.31Å; E43-A45 PolarHBondContact O-N 3.02Å; A45-L49 WeakPolarHBondContact O-CB 3.39Å; A45-L49 PolarHBondContact O-N 2.92Å |
| 46 | F | 91.7 | Very high | 89 | Confident | 134 Ų | 134 | 99.1 Ų | 99.1 | 59% | 0.588 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -68.3 | -46.5 | 179.5 | -164.9 | -97.1 | 0 | 0 | 0 | 112.2 | V42 E43 D44 T48 L49 V50 | V42-F46 PolarHBondContact O-N 3.41Å; V42-F46 VanDerWaalsContact O-N 3.12Å; E43-F46 PolarHBondContact O-N 3.33Å; E43-F46 VanDerWaalsContact O-N 3.1Å; D44-F46 VanDerWaalsContact C-N 3.34Å; D44-F46 PolarHBondContact O-N 2.96Å; F46-T48 VanDerWaalsContact C-N 3.34Å; F46-T48 PolarHBondContact O-N 3.03Å; F46-L49 PolarHBondContact O-N 2.97Å; F46-V50 HydrophobicContact CD1-CG2 4.11Å; F46-V50 HydrophobicContact CE1-CG2 3.85Å; F46-V50 HydrophobicContact CZ-CG2 4.36Å; F46-V50 WeakPolarHBondContact O-CG2 3.3Å; F46-V50 PolarHBondContact O-N 3.26Å |
| 47 | Y | 93.8 | Very high | 88.8 | Confident | 146 Ų | 146 | 102.4 Ų | 102.4 | 57% | 0.573 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.7 | -42.3 | 177.3 | -73.7 | -60.4 | 0 | 0 | 0 | 112 | E43 L49 V50 R51 | E43-Y47 HydrophobicContact CB-CD2 4.25Å; E43-Y47 HydrophobicContact CB-CE2 4.04Å; E43-Y47 WeakPolarHBondContact O-CD2 3.49Å; E43-Y47 PolarHBondContact O-N 3.31Å; Y47-L49 VanDerWaalsContact C-N 3.33Å; Y47-L49 PolarHBondContact O-N 3.17Å; Y47-V50 PolarHBondContact O-N 3.47Å; Y47-R51 VanDerWaalsContact O-CG 3.29Å; Y47-R51 WeakPolarHBondContact O-CG 3.27Å; Y47-R51 PolarHBondContact O-N 2.86Å |
| 48 | T | 91.4 | Very high | 88.5 | Confident | 36 Ų | 36 | 99.3 Ų | 99.3 | 22% | 0.221 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 177 | -59.2 | 0 | 0 | 0 | 0 | 111.1 | V2 P30 I32 D44 F46 V50 R51 E52 | V2-T48 HydrophobicContact CG1-CG2 4.41Å; V2-T48 HydrophobicContact CG2-CG2 4.07Å; P30-T48 HydrophobicContact CB-CG2 4.06Å; P30-T48 HydrophobicContact CG-CG2 3.72Å; I32-T48 HydrophobicContact CD1-CG2 3.87Å; I32-T48 VanDerWaalsContact CD1-OG1 3.26Å; I32-T48 WeakPolarHBondContact CD1-OG1 3.45Å; D44-T48 VanDerWaalsContact O-CB 3.25Å; D44-T48 WeakPolarHBondContact O-CB 3.16Å; D44-T48 PolarHBondContact O-N 2.97Å; D44-T48 PolarHBondContact O-OG1 3.02Å; F46-T48 VanDerWaalsContact C-N 3.34Å; F46-T48 PolarHBondContact O-N 3.03Å; T48-V50 PolarHBondContact O-N 3.17Å; T48-R51 PolarHBondContact O-N 3.24Å; T48-E52 WeakPolarHBondContact O-CB 3.22Å; T48-E52 WeakPolarHBondContact O-CG 3.23Å; T48-E52 PolarHBondContact O-N 2.6Å |
| 49 | L | 90.8 | Very high | 88 | Confident | 70 Ų | 70 | 104.4 Ų | 104.4 | 37% | 0.366 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.5 | -45 | 176.2 | -178.2 | 65 | 0 | 0 | 0 | 112.4 | V2 A45 F46 Y47 R51 E52 I53 | V2-L49 HydrophobicContact CG2-CB 4.21Å; V2-L49 HydrophobicContact CG2-CD1 4.01Å; A45-L49 WeakPolarHBondContact O-CB 3.39Å; A45-L49 PolarHBondContact O-N 2.92Å; F46-L49 PolarHBondContact O-N 2.97Å; Y47-L49 VanDerWaalsContact C-N 3.33Å; Y47-L49 PolarHBondContact O-N 3.17Å; L49-R51 VanDerWaalsContact C-N 3.34Å; L49-R51 PolarHBondContact O-N 2.91Å; L49-E52 WeakPolarHBondContact O-CB 3.3Å; L49-E52 PolarHBondContact O-N 3.18Å; L49-I53 HydrophobicContact CD1-CD1 4.36Å; L49-I53 HydrophobicContact CG-CD1 4.06Å; L49-I53 WeakPolarHBondContact O-CG1 3.43Å; L49-I53 PolarHBondContact O-N 2.8Å |
| 50 | V | 92.8 | Very high | 87.4 | Confident | 48 Ų | 48 | 101.8 Ų | 101.8 | 29% | 0.291 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 178.7 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | F46 Y47 T48 I53 R54 | F46-V50 HydrophobicContact CD1-CG2 4.11Å; F46-V50 HydrophobicContact CE1-CG2 3.85Å; F46-V50 HydrophobicContact CZ-CG2 4.36Å; F46-V50 WeakPolarHBondContact O-CG2 3.3Å; F46-V50 PolarHBondContact O-N 3.26Å; Y47-V50 PolarHBondContact O-N 3.47Å; T48-V50 PolarHBondContact O-N 3.17Å; V50-I53 PolarHBondContact O-N 3.27Å; V50-R54 WeakPolarHBondContact O-CG 3.31Å; V50-R54 PolarHBondContact O-N 2.8Å |
| 51 | R | 89.8 | Confident | 86.4 | Confident | 172 Ų | 172 | 103 Ų | 103 | 65% | 0.649 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.7 | -46.2 | 175.9 | -71.9 | 175.2 | 75 | -176.6 | 3.8 | 111.2 | Y47 T48 L49 I53 R54 Q55 | Y47-R51 VanDerWaalsContact O-CG 3.29Å; Y47-R51 WeakPolarHBondContact O-CG 3.27Å; Y47-R51 PolarHBondContact O-N 2.86Å; T48-R51 PolarHBondContact O-N 3.24Å; L49-R51 VanDerWaalsContact C-N 3.34Å; L49-R51 PolarHBondContact O-N 2.91Å; R51-I53 PolarHBondContact O-N 3.3Å; R51-R54 PolarHBondContact O-N 2.65Å; R51-Q55 WeakPolarHBondContact O-CG 3.34Å; R51-Q55 PolarHBondContact O-N 2.98Å |
| 52 | E | 87.9 | Confident | 85.3 | Confident | 53 Ų | 53 | 108 Ų | 108 | 25% | 0.248 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -58 | -45.4 | 175.6 | -84 | -66.9 | 118.3 | 0 | 0 | 112.3 | M1 V2 P30 T48 L49 R54 Q55 H56 | M1-E52 PolarHBondContact N-OE2 2.92Å; M1-E52 VanDerWaalsContact N-OE2 3.1Å; V2-E52 HydrophobicContact CG2-CB 4.48Å; V2-E52 HydrophobicContact CG2-CG 4.03Å; P30-E52 HydrophobicContact CG-CG 4.42Å; T48-E52 WeakPolarHBondContact O-CB 3.22Å; T48-E52 WeakPolarHBondContact O-CG 3.23Å; T48-E52 PolarHBondContact O-N 2.6Å; L49-E52 WeakPolarHBondContact O-CB 3.3Å; L49-E52 PolarHBondContact O-N 3.18Å; E52-R54 PolarHBondContact O-N 3.13Å; E52-Q55 PolarHBondContact O-N 3.36Å; E52-H56 VanDerWaalsContact O-CB 3.31Å; E52-H56 WeakPolarHBondContact O-CB 3.46Å; E52-H56 PolarHBondContact O-N 3.42Å |
| 53 | I | 89.1 | Confident | 83.9 | Confident | 84 Ų | 84 | 109.8 Ų | 109.8 | 43% | 0.431 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 177.5 | -68.8 | 163.9 | 0 | 0 | 0 | 111.1 | L49 V50 R51 H56 K57 | L49-I53 HydrophobicContact CD1-CD1 4.36Å; L49-I53 HydrophobicContact CG-CD1 4.06Å; L49-I53 WeakPolarHBondContact O-CG1 3.43Å; L49-I53 PolarHBondContact O-N 2.8Å; V50-I53 PolarHBondContact O-N 3.27Å; R51-I53 PolarHBondContact O-N 3.3Å; I53-H56 PolarHBondContact O-N 2.86Å; I53-K57 WeakPolarHBondContact O-CG 3.48Å; I53-K57 PolarHBondContact O-N 3.46Å |
| 54 | R | 88 | Confident | 82.4 | Confident | 174 Ų | 174 | 107.7 Ų | 107.7 | 66% | 0.657 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.1 | -47.2 | 177.3 | -73.4 | -177.4 | -176.1 | -158.7 | 2.3 | 111.3 | V50 R51 E52 H56 K57 L58 | V50-R54 WeakPolarHBondContact O-CG 3.31Å; V50-R54 PolarHBondContact O-N 2.8Å; R51-R54 PolarHBondContact O-N 2.65Å; E52-R54 PolarHBondContact O-N 3.13Å; R54-H56 VanDerWaalsContact C-N 3.34Å; R54-H56 PolarHBondContact O-N 3.5Å; R54-K57 PolarHBondContact O-N 3.48Å; R54-L58 WeakPolarHBondContact O-CD1 3.23Å; R54-L58 PolarHBondContact O-N 3.47Å |
| 55 | Q | 84.8 | Confident | 81 | Confident | 84 Ų | 84 | 110 Ų | 110 | 39% | 0.393 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 177.9 | -72.9 | -172.9 | -4.5 | 0 | 0 | 112 | R51 E52 K57 L58 R59 | R51-Q55 WeakPolarHBondContact O-CG 3.34Å; R51-Q55 PolarHBondContact O-N 2.98Å; E52-Q55 PolarHBondContact O-N 3.36Å; Q55-K57 PolarHBondContact O-N 2.99Å; Q55-L58 WeakPolarHBondContact O-CB 3.27Å; Q55-L58 PolarHBondContact O-N 3.38Å; Q55-R59 WeakPolarHBondContact O-CG 3.39Å; Q55-R59 PolarHBondContact O-N 2.9Å |
| 56 | H | 84.1 | Confident | 79.3 | Confident | 105 Ų | 105 | 117.6 Ų | 117.6 | 49% | 0.486 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.1 | -38.4 | 177.2 | -176.1 | -95.5 | 0 | 0 | 0 | 112.4 | E52 I53 R54 R59 K60 | E52-H56 VanDerWaalsContact O-CB 3.31Å; E52-H56 WeakPolarHBondContact O-CB 3.46Å; E52-H56 PolarHBondContact O-N 3.42Å; I53-H56 PolarHBondContact O-N 2.86Å; R54-H56 VanDerWaalsContact C-N 3.34Å; R54-H56 PolarHBondContact O-N 3.5Å; H56-R59 PolarHBondContact O-N 3.23Å; H56-K60 VanDerWaalsContact CE1-CE 3.45Å; H56-K60 WeakPolarHBondContact CE1-CE 3.47Å; H56-K60 PolarHBondContact O-N 3.47Å |
| 57 | K | 81.9 | Confident | 77.2 | Confident | 138 Ų | 138 | 116 Ų | 116 | 60% | 0.6 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.9 | -42.2 | 172.4 | -76.3 | -175 | 179.5 | -168.9 | 0 | 112.1 | I53 R54 Q55 K60 L61 | I53-K57 WeakPolarHBondContact O-CG 3.48Å; I53-K57 PolarHBondContact O-N 3.46Å; R54-K57 PolarHBondContact O-N 3.48Å; Q55-K57 PolarHBondContact O-N 2.99Å; K57-K60 PolarHBondContact O-N 3.33Å; K57-L61 WeakPolarHBondContact O-CG 3.1Å; K57-L61 PolarHBondContact O-N 3.09Å |
| 58 | L | 80.1 | Confident | 75.1 | Confident | 111 Ų | 111 | 112.4 Ų | 112.4 | 58% | 0.581 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.7 | -45.4 | 176.5 | -79.6 | 151.3 | 0 | 0 | 0 | 112 | R54 Q55 K60 L61 N62 | R54-L58 WeakPolarHBondContact O-CD1 3.23Å; R54-L58 PolarHBondContact O-N 3.47Å; Q55-L58 WeakPolarHBondContact O-CB 3.27Å; Q55-L58 PolarHBondContact O-N 3.38Å; L58-K60 VanDerWaalsContact C-N 3.25Å; L58-K60 PolarHBondContact O-N 3.24Å; L58-L61 PolarHBondContact O-N 3.1Å; L58-L61 VanDerWaalsContact O-N 3.11Å; L58-N62 PolarHBondContact O-N 2.71Å |
| 59 | R | 76.3 | Confident | 73 | Confident | 175 Ų | 175 | 120 Ų | 120 | 66% | 0.66 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -61.3 | -31.3 | 176.3 | -70.3 | 179.8 | -171.6 | -167.1 | 4.8 | 113.3 | Q55 H56 N62 | Q55-R59 WeakPolarHBondContact O-CG 3.39Å; Q55-R59 PolarHBondContact O-N 2.9Å; H56-R59 PolarHBondContact O-N 3.23Å; R59-N62 CarbonylContact O-C 3.56Å; R59-N62 VanDerWaalsContact O-O 3.07Å |
| 60 | K | 73.6 | Confident | 70.8 | Confident | 157 Ų | 157 | 122.2 Ų | 122.2 | 68% | 0.683 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -76 | -25.7 | 175.4 | -78.3 | -165 | 169.2 | -170.3 | 0 | 113.7 | H56 K57 L58 | H56-K60 VanDerWaalsContact CE1-CE 3.45Å; H56-K60 WeakPolarHBondContact CE1-CE 3.47Å; H56-K60 PolarHBondContact O-N 3.47Å; K57-K60 PolarHBondContact O-N 3.33Å; L58-K60 VanDerWaalsContact C-N 3.25Å; L58-K60 PolarHBondContact O-N 3.24Å |
| 61 | L | 68.6 | Low | 68.3 | Low | 138 Ų | 138 | 125.4 Ų | 125.4 | 72% | 0.723 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -87.7 | -30.6 | -178.9 | -70.9 | 166.4 | 0 | 0 | 0 | 112.4 | K57 L58 | K57-L61 WeakPolarHBondContact O-CG 3.1Å; K57-L61 PolarHBondContact O-N 3.09Å; L58-L61 PolarHBondContact O-N 3.1Å; L58-L61 VanDerWaalsContact O-N 3.11Å |
| 62 | N | 63.4 | Low | 66.6 | Low | 124 Ų | 124 | 124.9 Ų | 124.9 | 66% | 0.663 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -116.9 | 90.2 | 169.3 | -72.8 | -24.2 | 0 | 0 | 0 | 108.2 | L58 R59 P64 | L58-N62 PolarHBondContact O-N 2.71Å; R59-N62 CarbonylContact O-C 3.56Å; R59-N62 VanDerWaalsContact O-O 3.07Å; N62-P64 WeakPolarHBondContact O-CD 3.48Å |
| 63 | P | 61.2 | Low | 65.1 | Low | 105 Ų | 105 | 127.6 Ų | 127.6 | 68% | 0.682 | 67% | 0.67 | S | S | * | * | trans | -60.3 | 127.1 | 171.6 | 25.8 | -31.3 | 0 | 0 | 0 | 108 | D65 | P63-D65 PolarHBondContact O-N 2.87Š| ||
| 64 | P | 59.7 | Low | 63.1 | Low | 91 Ų | 91 | 128.6 Ų | 128.6 | 59% | 0.591 | 68% | 0.683 | S | S | * | * | trans | -60.9 | 132.1 | 163.2 | 25.4 | -29.1 | 0 | 0 | 0 | 107.6 | N62 E66 | N62-P64 WeakPolarHBondContact O-CD 3.48Å; P64-E66 VanDerWaalsContact C-N 3.3Å; P64-E66 HydrophobicContact CB-CG 4.05Å; P64-E66 HydrophobicContact CG-CG 4.09Å; P64-E66 PolarHBondContact O-N 3.39Å | ||
| 65 | D | 60.3 | Low | 61.2 | Low | 150 Ų | 150 | 131.5 Ų | 131.5 | 80% | 0.802 | 69% | 0.694 | S | S | * | * | trans | -64.2 | 94.1 | 165.2 | -173 | -107.3 | 0 | 0 | 0 | 107.3 | P63 | P63-D65 PolarHBondContact O-N 2.87Š| ||
| 66 | E | 56.3 | Low | 59 | Low | 175 Ų | 175 | 132.6 Ų | 132.6 | 82% | 0.818 | 71% | 0.71 | S | S | * | * | trans | -100.2 | 76.5 | 176.8 | -69 | -141.9 | 113.7 | 0 | 0 | 110.4 | P64 G68 | P64-E66 VanDerWaalsContact C-N 3.3Å; P64-E66 HydrophobicContact CB-CG 4.05Å; P64-E66 HydrophobicContact CG-CG 4.09Å; P64-E66 PolarHBondContact O-N 3.39Å; E66-G68 PolarHBondContact O-N 2.97Å | ||
| 67 | S | 47.9 | Very low | 57.5 | Low | 100 Ų | 100 | 133.1 Ų | 133.1 | 70% | 0.699 | 72% | 0.72 | S | S | * | * | trans | -69.6 | 103.8 | 146.3 | 52.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 68 | G | 49.8 | Very low | 55.9 | Low | 70 Ų | 70 | 133.1 Ų | 133.1 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | trans | 55.6 | 113.1 | 150.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | E66 | E66-G68 PolarHBondContact O-N 2.97Š| ||
| 69 | Q | 47.1 | Very low | 54.1 | Low | 195 Ų | 195 | 136 Ų | 136 | 91% | 0.911 | 76% | 0.761 | S | S | * | * | trans | -162.1 | 98.3 | 145.4 | -109.8 | 164.3 | 1.4 | 0 | 0 | 108.6 | ||||
| 70 | D | 45.2 | Very low | 53 | Low | 117 Ų | 117 | 134.1 Ų | 134.1 | 63% | 0.626 | 77% | 0.766 | S | S | * | * | 92.8 | 85.2 | 83 | -164.1 | -113.5 | 0 | 0 | 0 | 111.8 | M72 | D70-M72 VanDerWaalsContact C-N 3.28Å; D70-M72 VanDerWaalsContact CG-CG 3.42Å; D70-M72 PolarHBondContact O-N 2.95Å; D70-M72 WeakPolarHBondContact OD1-CB 3.26Å; D70-M72 WeakPolarHBondContact OD1-CG 3.47Å; D70-M72 WeakPolarHBondContact OD2-CG 3.28Å | |||
| 71 | C | 39.6 | Very low | 51.9 | Low | 115 Ų | 115 | 132.9 Ų | 132.9 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | trans | -81.8 | 72.7 | 164.9 | 166.3 | 0 | 0 | 0 | 0 | 108.4 | S73 | C71-S73 PolarHBondContact O-N 3.44Š| ||
| 72 | M | 54.2 | Low | 51 | Low | 161 Ų | 161 | 132.6 Ų | 132.6 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | trans | -95.3 | 47.9 | 175.7 | -89.6 | -86.9 | 165.5 | 0 | 0 | 113.2 | D70 | D70-M72 VanDerWaalsContact C-N 3.28Å; D70-M72 VanDerWaalsContact CG-CG 3.42Å; D70-M72 PolarHBondContact O-N 2.95Å; D70-M72 WeakPolarHBondContact OD1-CB 3.26Å; D70-M72 WeakPolarHBondContact OD1-CG 3.47Å; D70-M72 WeakPolarHBondContact OD2-CG 3.28Å | ||
| 73 | S | 55.9 | Low | 50.3 | Low | 110 Ų | 110 | 133.1 Ų | 133.1 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -137.2 | -1.1 | 170.5 | -169.4 | 0 | 0 | 0 | 0 | 116.8 | C71 R75 | C71-S73 PolarHBondContact O-N 3.44Å; S73-R75 VanDerWaalsContact C-N 3.28Å; S73-R75 PolarHBondContact O-N 3.19Å | ||
| 74 | C | 46.2 | Very low | 49.6 | Very low | 105 Ų | 105 | 134.9 Ų | 134.9 | 71% | 0.709 | 79% | 0.786 | S | S | * | * | trans | -84.6 | 75.5 | 168.4 | -72.2 | 0 | 0 | 0 | 0 | 110.3 | C76 | C74-C76 PolarHBondContact O-N 2.9Š| ||
| 75 | R | 48.5 | Very low | 48.9 | Very low | 235 Ų | 235 | 137.8 Ų | 137.8 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | trans | -74 | 74.2 | 163.9 | -134.5 | -179.2 | -160.6 | -158.8 | 4.5 | 107.8 | S73 V77 | S73-R75 VanDerWaalsContact C-N 3.28Å; S73-R75 PolarHBondContact O-N 3.19Å; R75-V77 VanDerWaalsContact C-N 3.28Å; R75-V77 PolarHBondContact O-N 3.24Å | ||
| 76 | C | 38.7 | Very low | 48.1 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 73% | 0.73 | 80% | 0.799 | S | S | * | * | trans | -68 | 92.5 | 165 | -63 | 0 | 0 | 0 | 0 | 107.2 | C74 V78 | C74-C76 PolarHBondContact O-N 2.9Å; C76-V78 PolarHBondContact O-N 3.08Å | ||
| 77 | V | 54 | Low | 47.5 | Very low | 115 Ų | 115 | 134 Ų | 134 | 70% | 0.697 | 80% | 0.797 | S | S | * | * | trans | -70.7 | 105.1 | 164.6 | 176.6 | 0 | 0 | 0 | 0 | 106 | R75 S79 | R75-V77 VanDerWaalsContact C-N 3.28Å; R75-V77 PolarHBondContact O-N 3.24Å; V77-S79 PolarHBondContact O-N 3.02Å | ||
| 78 | V | 47.5 | Very low | 47.5 | Very low | 138 Ų | 138 | 136.8 Ų | 136.8 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | -73.6 | 117.7 | 162.7 | -175.1 | 0 | 0 | 0 | 0 | 106 | C76 | C76-V78 PolarHBondContact O-N 3.08Š| ||
| 79 | S | 42.9 | Very low | 47.2 | Very low | 173 Ų | 173 | 142.9 Ų | 142.9 | 100% | 1.21 | 81% | 0.813 | S | S | * | * | trans | -119.9 | 0 | 162 | -68.8 | 0 | 0 | 0 | 0 | 108 | V77 | V77-S79 PolarHBondContact O-N 3.02Š|
Retrieved 79 of 79 residues in 180.1 ms
(Link to these results)