| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 49.8 | Very low | 65.4 | Low | 227 Ų | 227 | 150.1 Ų | 150.1 | 100% | 1.118 | 84% | 0.837 | S | S | * | * | 0 | 92.9 | 0 | -92.2 | 170.5 | 155.7 | 0 | 0 | 108.7 | |||||
| 2 | F | 51.7 | Low | 67.1 | Low | 215 Ų | 215 | 151.6 Ų | 151.6 | 94% | 0.943 | 83% | 0.828 | S | S | * | * | trans | -107.8 | 89.4 | 170 | -85.2 | -85.4 | 0 | 0 | 0 | 107 | T4 | F2-T4 PolarHBondContact O-N 3.36Å; F2-T4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | L | 54.3 | Low | 69 | Low | 151 Ų | 151 | 142.1 Ų | 142.1 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | -74.8 | 102.9 | 175.6 | -76.3 | 165.3 | 0 | 0 | 0 | 108.9 | ||||
| 4 | T | 59.7 | Low | 70.8 | Confident | 102 Ų | 102 | 143.3 Ų | 143.3 | 63% | 0.626 | 77% | 0.773 | S | S | * | * | trans | 48.5 | 103.2 | 141.2 | 59.8 | 0 | 0 | 0 | 0 | 117.7 | F2 V6 | F2-T4 PolarHBondContact O-N 3.36Å; F2-T4 VanDerWaalsContact O-N 3.16Å; T4-V6 VanDerWaalsContact C-N 3.26Å; T4-V6 PolarHBondContact O-N 3.29Å | ||
| 5 | S | 64.2 | Low | 72.4 | Confident | 122 Ų | 122 | 137.1 Ų | 137.1 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | trans | -62.8 | 88.4 | 154.6 | 42.7 | 0 | 0 | 0 | 0 | 109.5 | N7 | S5-N7 PolarHBondContact O-N 3.42Š| ||
| 6 | V | 66.4 | Low | 73.9 | Confident | 124 Ų | 124 | 128.8 Ų | 128.8 | 75% | 0.752 | 70% | 0.697 | S | S | * | * | trans | -62.7 | 108.2 | 170.5 | -76.2 | 0 | 0 | 0 | 0 | 108.8 | T4 L8 | T4-V6 VanDerWaalsContact C-N 3.26Å; T4-V6 PolarHBondContact O-N 3.29Å; V6-L8 VanDerWaalsContact C-N 3.31Å; V6-L8 PolarHBondContact O-N 3.32Å | ||
| 7 | N | 69 | Low | 75.2 | Confident | 163 Ų | 163 | 122.8 Ų | 122.8 | 87% | 0.872 | 66% | 0.664 | S | S | * | * | trans | -69 | 90.7 | 171.5 | -111.5 | -23 | 0 | 0 | 0 | 108.2 | S5 A9 | S5-N7 PolarHBondContact O-N 3.42Å; N7-A9 PolarHBondContact O-N 3.35Å | ||
| 8 | L | 69.9 | Low | 76.4 | Confident | 166 Ų | 166 | 116 Ų | 116 | 87% | 0.869 | 63% | 0.628 | S | S | * | * | trans | -68.1 | 99.3 | 174.8 | -175.2 | 65.6 | 0 | 0 | 0 | 108.8 | V6 K10 | V6-L8 VanDerWaalsContact C-N 3.31Å; V6-L8 PolarHBondContact O-N 3.32Å; L8-K10 PolarHBondContact O-N 3.29Å | ||
| 9 | A | 73.4 | Confident | 77.4 | Confident | 92 Ų | 92 | 112.1 Ų | 112.1 | 76% | 0.76 | 61% | 0.605 | S | S | * | * | trans | -61.5 | 112.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | N7 A11 | N7-A9 PolarHBondContact O-N 3.35Å; A9-A11 PolarHBondContact O-N 3.46Å | ||
| 10 | K | 78.7 | Confident | 78.4 | Confident | 196 Ų | 196 | 106.5 Ų | 106.5 | 85% | 0.852 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 123.4 | 180 | -173.2 | 169.6 | -175.8 | 169.5 | 0 | 110.5 | L8 K12 | L8-K10 PolarHBondContact O-N 3.29Å; K10-K12 PolarHBondContact O-N 3.24Å |
| 11 | A | 82.5 | Confident | 79.2 | Confident | 93 Ų | 93 | 102.9 Ų | 102.9 | 77% | 0.769 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 128.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | A9 | A9-A11 PolarHBondContact O-N 3.46Š|
| 12 | K | 86.1 | Confident | 81.4 | Confident | 168 Ų | 168 | 92.3 Ų | 92.3 | 73% | 0.73 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -75.8 | 136.4 | 177.7 | -76.7 | 166.8 | 177.2 | 174.4 | 0 | 109.1 | K10 | K10-K12 PolarHBondContact O-N 3.24Š|
| 13 | S | 91.4 | Very high | 83.5 | Confident | 28 Ų | 28 | 84.7 Ų | 84.7 | 20% | 0.196 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 142.6 | -179.9 | 90.5 | 0 | 0 | 0 | 0 | 112.4 | T15 R36 S64 I65 | S13-T15 PolarHBondContact OG-O 3.34Å; S13-T15 VanDerWaalsContact OG-O 3.05Å; S13-R36 PolarHBondContact O-NE 2.77Å; S13-S64 WeakPolarHBondContact OG-CB 3.13Å; S13-I65 VanDerWaalsContact CB-C 3.44Å; S13-I65 WeakPolarHBondContact CB-O 2.92Å; S13-I65 VanDerWaalsContact OG-C 3.23Å; S13-I65 PolarHBondContact OG-N 3.16Å; S13-I65 PolarHBondContact OG-O 2.88Å |
| 14 | K | 94 | Very high | 85.2 | Confident | 159 Ų | 159 | 79.9 Ų | 79.9 | 69% | 0.691 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -70.6 | -35.2 | -175.5 | -173.1 | 175.1 | -178.1 | 177.6 | 0 | 111.9 | N35 R36 | K14-N35 PolarHBondContact O-OD1 3.41Å; K14-R36 WeakPolarHBondContact O-CB 3.27Å; K14-R36 PolarHBondContact O-N 3.37Å |
| 15 | T | 94.8 | Very high | 86.7 | Confident | 50 Ų | 50 | 78.2 Ų | 78.2 | 31% | 0.307 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 143.1 | -174.8 | -55.3 | 0 | 0 | 0 | 0 | 110.3 | S13 K33 R34 I65 | S13-T15 PolarHBondContact OG-O 3.34Å; S13-T15 VanDerWaalsContact OG-O 3.05Å; T15-K33 HydrophobicContact CG2-CB 3.86Å; T15-K33 HydrophobicContact CG2-CD 4.49Å; T15-K33 HydrophobicContact CG2-CG 4.43Å; T15-R34 WeakPolarHBondContact CA-O 3.32Å; T15-I65 PolarHBondContact O-N 3.39Å |
| 16 | I | 96.1 | Very high | 87.9 | Confident | 5 Ų | 5 | 74.8 Ų | 74.8 | 3% | 0.026 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 143.6 | 176.3 | 57.7 | 170.6 | 0 | 0 | 0 | 109.9 | V18 K33 R34 R36 K61 | I16-V18 HydrophobicContact CD1-CG1 3.79Å; I16-V18 HydrophobicContact CG1-CG1 3.85Å; I16-K33 WeakPolarHBondContact O-CA 3.42Å; I16-R34 HydrophobicContact CD1-CG 3.99Å; I16-R34 HydrophobicContact CG1-CG 3.64Å; I16-R34 WeakPolarHBondContact CG1-O 3.37Å; I16-R34 PolarHBondContact N-O 2.87Å; I16-R34 PolarHBondContact O-N 3.27Å; I16-R36 HydrophobicContact CG2-CB 4.28Å; I16-K61 HydrophobicContact CB-CG 4.41Å; I16-K61 HydrophobicContact CD1-CD 4.29Å; I16-K61 HydrophobicContact CD1-CG 4.3Å; I16-K61 HydrophobicContact CG2-CD 4.4Å |
| 17 | L | 96.6 | Very high | 89 | Confident | 27 Ų | 27 | 71.2 Ų | 71.2 | 14% | 0.141 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 125.4 | 170.5 | -166.4 | 71.2 | 0 | 0 | 0 | 108.5 | N31 K33 I62 R63 I65 | L17-N31 HydrophobicContact CD1-CB 4.12Å; L17-N31 HydrophobicContact CD2-CB 4.44Å; L17-N31 HydrophobicContact CG-CB 4.27Å; L17-K33 HydrophobicContact CD1-CG 4.06Å; L17-I62 HydrophobicContact CD2-CB 4.4Å; L17-I62 HydrophobicContact CD2-CD1 4.14Å; L17-I62 HydrophobicContact CD2-CG2 4.41Å; L17-I62 HydrophobicContact CG-CD1 4.32Å; L17-I62 PolarHBondContact O-N 2.72Å; L17-R63 HydrophobicContact CB-CG 4.26Å; L17-R63 PolarHBondContact N-O 3.07Å; L17-I65 HydrophobicContact CB-CD1 3.97Å; L17-I65 HydrophobicContact CB-CG1 4.24Å; L17-I65 HydrophobicContact CD1-CD1 4.24Å |
| 18 | V | 96.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 147.7 | -177 | -55.2 | 0 | 0 | 0 | 0 | 110.5 | I16 M20 N31 T32 R34 E58 K60 | I16-V18 HydrophobicContact CD1-CG1 3.79Å; I16-V18 HydrophobicContact CG1-CG1 3.85Å; V18-M20 HydrophobicContact CG2-SD 4.33Å; V18-N31 CarbonylContact O-C 3.59Å; V18-N31 WeakPolarHBondContact O-CA 3.46Å; V18-T32 HydrophobicContact CG2-CG2 3.52Å; V18-T32 PolarHBondContact N-O 2.96Å; V18-T32 PolarHBondContact O-N 2.88Å; V18-R34 HydrophobicContact CG1-CG 3.87Å; V18-R34 HydrophobicContact CG2-CG 4.12Å; V18-E58 HydrophobicContact CB-CG 3.89Å; V18-E58 HydrophobicContact CG1-CG 4.46Å; V18-E58 WeakPolarHBondContact CG1-OE1 3.41Å; V18-E58 HydrophobicContact CG2-CG 4.02Å; V18-K60 CarbonylContact C-O 3.55Å; V18-K60 WeakPolarHBondContact CA-O 3.47Å |
| 19 | Q | 96.1 | Very high | 91.5 | Very high | 42 Ų | 42 | 64 Ų | 64 | 20% | 0.196 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 123.7 | 176.8 | -171.8 | 179.6 | 68.3 | 0 | 0 | 109.3 | F29 K59 K60 I62 | Q19-F29 HydrophobicContact CG-CB 3.91Å; Q19-F29 HydrophobicContact CG-CD2 3.85Å; Q19-F29 HydrophobicContact CG-CG 4.07Å; Q19-F29 VanDerWaalsContact NE2-CE2 3.31Å; Q19-K59 PolarHBondContact O-N 2.96Å; Q19-K60 HydrophobicContact CB-CB 4.46Å; Q19-K60 PolarHBondContact N-O 3.06Å; Q19-I62 HydrophobicContact CB-CD1 4.11Å; Q19-I62 HydrophobicContact CB-CG1 4.27Å |
| 20 | M | 96.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 129.3 | 176.4 | -59.1 | -62.3 | -63.9 | 0 | 0 | 108.7 | V18 F29 F30 T32 L41 L43 F56 F57 E58 | V18-M20 HydrophobicContact CG2-SD 4.33Å; M20-F29 CarbonylContact O-C 3.58Å; M20-F29 WeakPolarHBondContact O-CA 3.1Å; M20-F29 WeakPolarHBondContact O-CB 3.37Å; M20-F30 HydrophobicContact CB-CD1 4.06Å; M20-F30 HydrophobicContact CB-CD2 4.29Å; M20-F30 HydrophobicContact CB-CE1 3.72Å; M20-F30 HydrophobicContact CB-CE2 3.97Å; M20-F30 HydrophobicContact CB-CG 4.33Å; M20-F30 HydrophobicContact CB-CZ 3.67Å; M20-F30 HydrophobicContact CG-CD2 4.34Å; M20-F30 HydrophobicContact CG-CE1 4.37Å; M20-F30 HydrophobicContact CG-CE2 3.78Å; M20-F30 HydrophobicContact CG-CZ 3.8Å; M20-F30 PolarHBondContact N-O 2.67Å; M20-F30 PolarHBondContact O-N 2.96Å; M20-T32 HydrophobicContact CG-CG2 3.54Å; M20-T32 HydrophobicContact SD-CG2 3.88Å; M20-L41 HydrophobicContact CE-CB 3.89Å; M20-L41 WeakPolarHBondContact CE-O 3.41Å; M20-L41 HydrophobicContact SD-CB 4.01Å; M20-L43 HydrophobicContact CE-CB 4.34Å; M20-L43 HydrophobicContact CE-CD1 4.19Å; M20-L43 HydrophobicContact CE-CG 4.2Å; M20-F56 HydrophobicContact CB-CB 4.24Å; M20-F56 HydrophobicContact CB-CD1 4.43Å; M20-F56 HydrophobicContact CE-CB 4.12Å; M20-F56 VanDerWaalsContact CE-O 3.27Å; M20-F56 WeakPolarHBondContact CE-O 3.43Å; M20-F57 CarbonylContact C-O 3.53Å; M20-F57 WeakPolarHBondContact CA-O 3.34Å; M20-E58 HydrophobicContact SD-CB 3.81Å; M20-E58 HydrophobicContact SD-CG 4.35Å |
| 21 | V | 96.1 | Very high | 93.3 | Very high | 30 Ų | 30 | 55.7 Ų | 55.7 | 18% | 0.182 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 138.2 | -178.3 | 178.7 | 0 | 0 | 0 | 0 | 110 | F29 F56 F57 K59 | V21-F29 HydrophobicContact CG2-CB 4.13Å; V21-F56 VanDerWaalsContact C-CD1 3.44Å; V21-F56 VanDerWaalsContact O-CA 3.32Å; V21-F56 WeakPolarHBondContact O-CA 3.35Å; V21-F57 PolarHBondContact N-O 3.26Å; V21-F57 PolarHBondContact O-N 3.33Å; V21-K59 HydrophobicContact CB-CB 4.31Å; V21-K59 HydrophobicContact CB-CD 4.39Å; V21-K59 HydrophobicContact CG2-CB 3.63Å; V21-K59 HydrophobicContact CG2-CD 3.72Å; V21-K59 HydrophobicContact CG2-CG 4.31Å |
| 22 | S | 96 | Very high | 93.9 | Very high | 6 Ų | 6 | 52.9 Ų | 52.9 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 130.9 | 178.2 | -175.6 | 0 | 0 | 0 | 0 | 111.3 | A24 G25 Y28 D47 F56 | S22-A24 PolarHBondContact O-N 3.5Å; S22-A24 PolarHBondContact OG-N 3.37Å; S22-G25 PolarHBondContact O-N 3.47Å; S22-Y28 PolarHBondContact N-O 2.86Å; S22-D47 VanDerWaalsContact CB-OD2 3.24Å; S22-D47 WeakPolarHBondContact CB-OD2 3.15Å; S22-D47 PolarHBondContact OG-OD2 3.24Å; S22-F56 VanDerWaalsContact N-CD1 3.31Å |
| 23 | A | 94.2 | Very high | 94.4 | Very high | 55 Ų | 55 | 51.7 Ų | 51.7 | 46% | 0.455 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -15.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | G25 V54 L55 F57 | A23-G25 PolarHBondContact O-N 2.88Å; A23-V54 HydrophobicContact CB-CG1 4.16Å; A23-L55 HydrophobicContact CB-CB 4.28Å; A23-L55 WeakPolarHBondContact CB-O 3.44Å; A23-L55 PolarHBondContact N-O 3.01Å; A23-F57 HydrophobicContact CB-CD2 3.87Å; A23-F57 HydrophobicContact CB-CE2 3.58Å |
| 24 | A | 91.4 | Very high | 94.5 | Very high | 49 Ų | 49 | 52 Ų | 52 | 41% | 0.405 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -2.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S22 T26 V50 V54 | S22-A24 PolarHBondContact O-N 3.5Å; S22-A24 PolarHBondContact OG-N 3.37Å; A24-T26 HydrophobicContact CB-CG2 4.18Å; A24-T26 PolarHBondContact O-N 3.31Å; A24-V50 HydrophobicContact CB-CG2 3.68Å; A24-V54 HydrophobicContact CB-CG1 3.96Å; A24-V54 HydrophobicContact CB-CG2 4.26Å |
| 25 | G | 89.7 | Confident | 94.6 | Very high | 68 Ų | 68 | 47.1 Ų | 47.1 | 70% | 0.701 | 28% | 0.279 | S | S | * | . | S | Bend | trans | 74.2 | 9.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | S22 A23 G27 | S22-G25 PolarHBondContact O-N 3.47Å; A23-G25 PolarHBondContact O-N 2.88Å; G25-G27 PolarHBondContact O-N 3.02Å |
| 26 | T | 90.6 | Very high | 94.5 | Very high | 49 Ų | 49 | 48.6 Ų | 48.6 | 30% | 0.301 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -68.9 | -14.1 | 179.4 | 55.9 | 0 | 0 | 0 | 0 | 114.3 | A24 Y28 D47 F49 V50 | A24-T26 HydrophobicContact CB-CG2 4.18Å; A24-T26 PolarHBondContact O-N 3.31Å; T26-Y28 PolarHBondContact O-N 2.84Å; T26-Y28 PolarHBondContact OG1-N 2.97Å; T26-D47 PolarHBondContact OG1-OD2 2.78Å; T26-F49 HydrophobicContact CG2-CB 3.84Å; T26-V50 HydrophobicContact CG2-CG2 3.4Å; T26-V50 VanDerWaalsContact CG2-CG2 3.4Å |
| 27 | G | 89.9 | Confident | 94.3 | Very high | 49 Ų | 49 | 55.9 Ų | 55.9 | 51% | 0.505 | 32% | 0.317 | S | S | . | . | trans | 77.9 | 0.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114 | G25 F29 | G25-G27 PolarHBondContact O-N 3.02Å; G27-F29 VanDerWaalsContact O-CD1 3.32Å; G27-F29 WeakPolarHBondContact O-CD1 3.37Å; G27-F29 PolarHBondContact O-N 2.62Å | ||
| 28 | Y | 94.5 | Very high | 94.2 | Very high | 71 Ų | 71 | 62.4 Ų | 62.4 | 28% | 0.278 | 34% | 0.34 | S | S | . | . | trans | -67.6 | 132.4 | 172.7 | -174.6 | -109.4 | 0 | 0 | 0 | 110.9 | S22 T26 P48 F49 F56 | S22-Y28 PolarHBondContact N-O 2.86Å; T26-Y28 PolarHBondContact O-N 2.84Å; T26-Y28 PolarHBondContact OG1-N 2.97Å; Y28-P48 HydrophobicContact CD1-CG 4.42Å; Y28-P48 HydrophobicContact CD2-CG 3.86Å; Y28-P48 HydrophobicContact CE1-CG 4.34Å; Y28-P48 HydrophobicContact CE2-CG 3.74Å; Y28-P48 HydrophobicContact CG-CG 4.2Å; Y28-F49 HydrophobicContact CD2-CD2 4.32Å; Y28-F49 AromaticContact CD2-CE2 3.92Å; Y28-F49 HydrophobicContact CD2-CE2 3.92Å; Y28-F49 HydrophobicContact CG-CD2 4.35Å; Y28-F49 HydrophobicContact CG-CE2 4.32Å; Y28-F56 AromaticContact CD1-CE1 3.68Å; Y28-F56 HydrophobicContact CD1-CE1 3.68Å; Y28-F56 AromaticContact CD1-CZ 3.7Å; Y28-F56 HydrophobicContact CD1-CZ 3.7Å; Y28-F56 HydrophobicContact CE1-CE1 4.22Å; Y28-F56 HydrophobicContact CE1-CZ 4.15Å | ||
| 29 | F | 95.1 | Very high | 94.1 | Very high | 108 Ų | 108 | 70.5 Ų | 70.5 | 47% | 0.474 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 156 | 177.3 | 62 | -97.5 | 0 | 0 | 0 | 111.5 | Q19 M20 V21 G27 | Q19-F29 HydrophobicContact CG-CB 3.91Å; Q19-F29 HydrophobicContact CG-CD2 3.85Å; Q19-F29 HydrophobicContact CG-CG 4.07Å; Q19-F29 VanDerWaalsContact NE2-CE2 3.31Å; M20-F29 CarbonylContact O-C 3.58Å; M20-F29 WeakPolarHBondContact O-CA 3.1Å; M20-F29 WeakPolarHBondContact O-CB 3.37Å; V21-F29 HydrophobicContact CG2-CB 4.13Å; G27-F29 VanDerWaalsContact O-CD1 3.32Å; G27-F29 WeakPolarHBondContact O-CD1 3.37Å; G27-F29 PolarHBondContact O-N 2.62Å |
| 30 | F | 94.5 | Very high | 94 | Very high | 28 Ų | 28 | 75.7 Ų | 75.7 | 12% | 0.123 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 160.3 | 172.1 | 68.9 | -89.9 | 0 | 0 | 0 | 111 | M20 L43 K45 F56 | M20-F30 HydrophobicContact CB-CD1 4.06Å; M20-F30 HydrophobicContact CB-CD2 4.29Å; M20-F30 HydrophobicContact CB-CE1 3.72Å; M20-F30 HydrophobicContact CB-CE2 3.97Å; M20-F30 HydrophobicContact CB-CG 4.33Å; M20-F30 HydrophobicContact CB-CZ 3.67Å; M20-F30 HydrophobicContact CG-CD2 4.34Å; M20-F30 HydrophobicContact CG-CE1 4.37Å; M20-F30 HydrophobicContact CG-CE2 3.78Å; M20-F30 HydrophobicContact CG-CZ 3.8Å; M20-F30 PolarHBondContact N-O 2.67Å; M20-F30 PolarHBondContact O-N 2.96Å; F30-L43 HydrophobicContact CE2-CD1 4.5Å; F30-L43 HydrophobicContact CZ-CD1 4.26Å; F30-K45 HydrophobicContact CD1-CD 3.99Å; F30-K45 HydrophobicContact CE1-CB 4.33Å; F30-K45 HydrophobicContact CE1-CD 3.57Å; F30-K45 HydrophobicContact CE2-CD 4.29Å; F30-K45 HydrophobicContact CG-CD 4.5Å; F30-K45 HydrophobicContact CZ-CD 3.75Å; F30-F56 AromaticContact CD1-CD1 3.82Å; F30-F56 HydrophobicContact CD1-CD1 3.82Å; F30-F56 AromaticContact CD1-CE1 3.91Å; F30-F56 HydrophobicContact CD1-CE1 3.91Å; F30-F56 HydrophobicContact CD1-CG 4.44Å; F30-F56 HydrophobicContact CE1-CB 4.04Å; F30-F56 AromaticContact CE1-CD1 3.43Å; F30-F56 HydrophobicContact CE1-CD1 3.43Å; F30-F56 VanDerWaalsContact CE1-CD1 3.43Å; F30-F56 HydrophobicContact CE1-CD2 4.18Å; F30-F56 AromaticContact CE1-CE1 3.87Å; F30-F56 HydrophobicContact CE1-CE1 3.87Å; F30-F56 AromaticContact CE1-CG 3.61Å; F30-F56 HydrophobicContact CE1-CG 3.61Å; F30-F56 HydrophobicContact CE1-CZ 4.43Å; F30-F56 HydrophobicContact CZ-CB 4.47Å; F30-F56 HydrophobicContact CZ-CG 4.46Å |
| 31 | N | 96.3 | Very high | 93.8 | Very high | 84 Ų | 84 | 77 Ų | 77 | 45% | 0.449 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 137.4 | -179.9 | -60.4 | -22.2 | 0 | 0 | 0 | 110.1 | L17 V18 I62 | L17-N31 HydrophobicContact CD1-CB 4.12Å; L17-N31 HydrophobicContact CD2-CB 4.44Å; L17-N31 HydrophobicContact CG-CB 4.27Å; V18-N31 CarbonylContact O-C 3.59Å; V18-N31 WeakPolarHBondContact O-CA 3.46Å; N31-I62 HydrophobicContact CB-CD1 4.4Å; N31-I62 WeakPolarHBondContact OD1-CD1 3.43Å |
| 32 | T | 95.5 | Very high | 93.8 | Very high | 35 Ų | 35 | 79.4 Ų | 79.4 | 22% | 0.215 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 158.4 | 174 | -167.2 | 0 | 0 | 0 | 0 | 110.8 | V18 M20 L41 | V18-T32 HydrophobicContact CG2-CG2 3.52Å; V18-T32 PolarHBondContact N-O 2.96Å; V18-T32 PolarHBondContact O-N 2.88Å; M20-T32 HydrophobicContact CG-CG2 3.54Å; M20-T32 HydrophobicContact SD-CG2 3.88Å; T32-L41 HydrophobicContact CG2-CD1 3.69Å |
| 33 | K | 95.6 | Very high | 93.8 | Very high | 142 Ų | 142 | 82.1 Ų | 82.1 | 62% | 0.617 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 134 | 175.4 | -64 | -178.1 | -174.6 | 176 | 0 | 108.6 | T15 I16 L17 I65 | T15-K33 HydrophobicContact CG2-CB 3.86Å; T15-K33 HydrophobicContact CG2-CD 4.49Å; T15-K33 HydrophobicContact CG2-CG 4.43Å; I16-K33 WeakPolarHBondContact O-CA 3.42Å; L17-K33 HydrophobicContact CD1-CG 4.06Å; K33-I65 HydrophobicContact CD-CD1 4.01Å; K33-I65 HydrophobicContact CG-CD1 3.96Å |
| 34 | R | 94.9 | Very high | 93.8 | Very high | 36 Ų | 36 | 88.7 Ų | 88.7 | 14% | 0.136 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 156.2 | 170.1 | 75.1 | 172.2 | -178.4 | 113 | -9.2 | 111.8 | T15 I16 V18 R38 E39 L41 E58 | T15-R34 WeakPolarHBondContact CA-O 3.32Å; I16-R34 HydrophobicContact CD1-CG 3.99Å; I16-R34 HydrophobicContact CG1-CG 3.64Å; I16-R34 WeakPolarHBondContact CG1-O 3.37Å; I16-R34 PolarHBondContact N-O 2.87Å; I16-R34 PolarHBondContact O-N 3.27Å; V18-R34 HydrophobicContact CG1-CG 3.87Å; V18-R34 HydrophobicContact CG2-CG 4.12Å; R34-R38 PolarHBondContact NH1-O 2.82Å; R34-E39 PolarHBondContact NH1-O 3.02Å; R34-L41 HydrophobicContact CB-CD1 3.75Å; R34-L41 HydrophobicContact CB-CG 4.24Å; R34-E58 WeakPolarHBondContact CD-OE2 3.19Å; R34-E58 IonicContact CZ-OE1 3.32Å; R34-E58 IonicContact CZ-OE2 3.13Å; R34-E58 VanDerWaalsContact CZ-OE2 3.32Å; R34-E58 IonicContact NE-OE1 2.77Å; R34-E58 PolarHBondContact NE-OE1 3Å; R34-E58 IonicContact NE-OE2 2.78Å; R34-E58 PolarHBondContact NE-OE2 3.32Å; R34-E58 IonicContact NH2-OE1 3.62Å; R34-E58 PolarHBondContact NH2-OE1 3.46Å; R34-E58 IonicContact NH2-OE2 2.75Å |
| 35 | N | 95.4 | Very high | 94 | Very high | 56 Ų | 56 | 90.6 Ų | 90.6 | 30% | 0.299 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 136.6 | 170.5 | -172.3 | 5.2 | 0 | 0 | 0 | 109.5 | K14 L37 R38 | K14-N35 PolarHBondContact O-OD1 3.41Å; N35-L37 PolarHBondContact O-N 2.75Å; N35-R38 HydrophobicContact CB-CB 4.32Å; N35-R38 PolarHBondContact O-N 2.79Å |
| 36 | R | 92.4 | Very high | 94.2 | Very high | 80 Ų | 80 | 91.2 Ų | 91.2 | 30% | 0.302 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -35.5 | -178.1 | -179.8 | -175.4 | -77.5 | -122.8 | 2.1 | 112.7 | S13 K14 I16 S64 | S13-R36 PolarHBondContact O-NE 2.77Å; K14-R36 WeakPolarHBondContact O-CB 3.27Å; K14-R36 PolarHBondContact O-N 3.37Å; I16-R36 HydrophobicContact CG2-CB 4.28Å; R36-S64 PolarHBondContact NH2-OG 3.3Å |
| 37 | L | 92.6 | Very high | 94.3 | Very high | 159 Ų | 159 | 88.9 Ų | 88.9 | 83% | 0.832 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -7.2 | -176 | -62.1 | 175.5 | 0 | 0 | 0 | 114 | N35 | N35-L37 PolarHBondContact O-N 2.75Š|
| 38 | R | 94.3 | Very high | 94.5 | Very high | 164 Ų | 164 | 89.3 Ų | 89.3 | 62% | 0.619 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -79.7 | 158.6 | -179.8 | -170.7 | 177.1 | -74 | -159.9 | -2 | 110.5 | R34 N35 | R34-R38 PolarHBondContact NH1-O 2.82Å; N35-R38 HydrophobicContact CB-CB 4.32Å; N35-R38 PolarHBondContact O-N 2.79Å |
| 39 | E | 93.9 | Very high | 94.4 | Very high | 170 Ų | 170 | 92.8 Ų | 92.8 | 79% | 0.794 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 168.3 | 166.3 | -64.4 | 178.8 | -174.6 | 0 | 0 | 112.6 | R34 | R34-E39 PolarHBondContact NH1-O 3.02Š|
| 40 | K | 93.8 | Very high | 94.3 | Very high | 150 Ų | 150 | 90.3 Ų | 90.3 | 65% | 0.652 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 138.1 | 177.4 | -71.3 | -175.5 | -179.5 | 179 | 0 | 110 | E58 | K40-E58 WeakPolarHBondContact CA-OE2 3.46Å; K40-E58 HydrophobicContact CB-CB 4.32Å |
| 41 | L | 94 | Very high | 94.3 | Very high | 27 Ų | 27 | 97 Ų | 97 | 14% | 0.141 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 139.7 | 179.6 | -68.2 | 175.8 | 0 | 0 | 0 | 111.1 | M20 T32 R34 L43 E58 | M20-L41 HydrophobicContact CE-CB 3.89Å; M20-L41 WeakPolarHBondContact CE-O 3.41Å; M20-L41 HydrophobicContact SD-CB 4.01Å; T32-L41 HydrophobicContact CG2-CD1 3.69Å; R34-L41 HydrophobicContact CB-CD1 3.75Å; R34-L41 HydrophobicContact CB-CG 4.24Å; L41-L43 HydrophobicContact CB-CG 4.42Å; L41-L43 HydrophobicContact CD1-CD1 4.49Å; L41-E58 PolarHBondContact N-OE2 3.02Å; L41-E58 PolarHBondContact O-N 3.25Å |
| 42 | V | 95.4 | Very high | 94.2 | Very high | 81 Ų | 81 | 99.7 Ų | 99.7 | 49% | 0.491 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 117.3 | 163.8 | -175.3 | 0 | 0 | 0 | 0 | 106.9 | L55 F56 F57 | V42-L55 HydrophobicContact CG1-CD2 3.82Å; V42-F56 WeakPolarHBondContact CA-O 3.07Å; V42-F57 HydrophobicContact CB-CD1 4.43Å; V42-F57 HydrophobicContact CB-CE1 4.39Å; V42-F57 HydrophobicContact CG1-CD1 4.03Å; V42-F57 HydrophobicContact CG1-CE1 3.65Å; V42-F57 HydrophobicContact CG2-CD1 3.81Å; V42-F57 HydrophobicContact CG2-CE1 3.88Å |
| 43 | L | 94.8 | Very high | 94.1 | Very high | 64 Ų | 64 | 103.5 Ų | 103.5 | 34% | 0.335 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 140.4 | -174.9 | -64.1 | 175.8 | 0 | 0 | 0 | 110.1 | M20 F30 L41 L55 F56 | M20-L43 HydrophobicContact CE-CB 4.34Å; M20-L43 HydrophobicContact CE-CD1 4.19Å; M20-L43 HydrophobicContact CE-CG 4.2Å; F30-L43 HydrophobicContact CE2-CD1 4.5Å; F30-L43 HydrophobicContact CZ-CD1 4.26Å; L41-L43 HydrophobicContact CB-CG 4.42Å; L41-L43 HydrophobicContact CD1-CD1 4.49Å; L43-L55 CarbonylContact O-C 3.55Å; L43-F56 PolarHBondContact N-O 3.05Å; L43-F56 PolarHBondContact O-N 2.94Å |
| 44 | R | 95.3 | Very high | 94.1 | Very high | 192 Ų | 192 | 98 Ų | 98 | 73% | 0.725 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 119 | 170.5 | -176.5 | 175.7 | 137.9 | -177 | -4.6 | 109.2 | H53 V54 | R44-H53 HydrophobicContact CG-CB 4.09Å; R44-V54 WeakPolarHBondContact CA-O 3.49Å |
| 45 | K | 94.7 | Very high | 94.2 | Very high | 89 Ų | 89 | 100.4 Ų | 100.4 | 39% | 0.387 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 159.3 | -178.9 | -165.2 | 174.3 | -179.4 | -177.3 | 0 | 110.6 | F30 D47 H53 V54 F56 | F30-K45 HydrophobicContact CD1-CD 3.99Å; F30-K45 HydrophobicContact CE1-CB 4.33Å; F30-K45 HydrophobicContact CE1-CD 3.57Å; F30-K45 HydrophobicContact CE2-CD 4.29Å; F30-K45 HydrophobicContact CG-CD 4.5Å; F30-K45 HydrophobicContact CZ-CD 3.75Å; K45-D47 PolarHBondContact O-N 2.7Å; K45-H53 CarbonylContact O-C 3.57Å; K45-H53 WeakPolarHBondContact O-CA 3.32Å; K45-V54 PolarHBondContact N-O 2.83Å; K45-V54 PolarHBondContact O-N 2.97Å; K45-V54 VanDerWaalsContact O-O 3.13Å; K45-F56 HydrophobicContact CB-CD2 3.82Å; K45-F56 HydrophobicContact CB-CE2 3.81Å; K45-F56 WeakPolarHBondContact O-CE2 3.24Å |
| 46 | H | 94.9 | Very high | 94.2 | Very high | 81 Ų | 81 | 97.7 Ų | 97.7 | 38% | 0.375 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 126.7 | 172.7 | -175.9 | -97.8 | 0 | 0 | 0 | 111.2 | H53 | H46-H53 PolarHBondContact N-CD2 2.99Å |
| 47 | D | 93.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 98.6 Ų | 98.6 | 0% | 0 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 116.5 | 167.7 | -171.7 | -29.3 | 0 | 0 | 0 | 108.8 | S22 T26 K45 F49 V50 K51 K52 V54 F56 | S22-D47 VanDerWaalsContact CB-OD2 3.24Å; S22-D47 WeakPolarHBondContact CB-OD2 3.15Å; S22-D47 PolarHBondContact OG-OD2 3.24Å; T26-D47 PolarHBondContact OG1-OD2 2.78Å; K45-D47 PolarHBondContact O-N 2.7Å; D47-F49 PolarHBondContact O-N 2.93Å; D47-F49 PolarHBondContact OD1-N 2.84Å; D47-V50 HydrophobicContact CB-CB 4.45Å; D47-V50 HydrophobicContact CB-CG2 4.34Å; D47-V50 PolarHBondContact O-N 2.86Å; D47-K51 WeakPolarHBondContact O-CA 3.32Å; D47-K51 PolarHBondContact O-N 3.17Å; D47-K52 PolarHBondContact N-O 2.89Å; D47-V54 HydrophobicContact CB-CG2 4.24Å; D47-F56 HydrophobicContact CB-CZ 4.19Å |
| 48 | P | 93.8 | Very high | 94.5 | Very high | 59 Ų | 59 | 91.8 Ų | 91.8 | 38% | 0.383 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -23.4 | -177.9 | 27.2 | -34.1 | 0 | 0 | 0 | 113.8 | Y28 | Y28-P48 HydrophobicContact CD1-CG 4.42Å; Y28-P48 HydrophobicContact CD2-CG 3.86Å; Y28-P48 HydrophobicContact CE1-CG 4.34Å; Y28-P48 HydrophobicContact CE2-CG 3.74Å; Y28-P48 HydrophobicContact CG-CG 4.2Å |
| 49 | F | 93.1 | Very high | 94.5 | Very high | 144 Ų | 144 | 91.7 Ų | 91.7 | 63% | 0.632 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -41.3 | -179.6 | -67 | -84.8 | 0 | 0 | 0 | 111.9 | T26 Y28 D47 | T26-F49 HydrophobicContact CG2-CB 3.84Å; Y28-F49 HydrophobicContact CD2-CD2 4.32Å; Y28-F49 AromaticContact CD2-CE2 3.92Å; Y28-F49 HydrophobicContact CD2-CE2 3.92Å; Y28-F49 HydrophobicContact CG-CD2 4.35Å; Y28-F49 HydrophobicContact CG-CE2 4.32Å; D47-F49 PolarHBondContact O-N 2.93Å; D47-F49 PolarHBondContact OD1-N 2.84Å |
| 50 | V | 92.7 | Very high | 94.5 | Very high | 55 Ų | 55 | 89.9 Ų | 89.9 | 33% | 0.333 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -18.5 | 175.7 | -166 | 0 | 0 | 0 | 0 | 111.8 | A24 T26 D47 K52 | A24-V50 HydrophobicContact CB-CG2 3.68Å; T26-V50 HydrophobicContact CG2-CG2 3.4Å; T26-V50 VanDerWaalsContact CG2-CG2 3.4Å; D47-V50 HydrophobicContact CB-CB 4.45Å; D47-V50 HydrophobicContact CB-CG2 4.34Å; D47-V50 PolarHBondContact O-N 2.86Å; V50-K52 HydrophobicContact CG1-CB 4.11Å; V50-K52 HydrophobicContact CG1-CD 4.16Å; V50-K52 HydrophobicContact CG1-CG 4.24Å; V50-K52 PolarHBondContact O-N 2.86Å |
| 51 | K | 93.5 | Very high | 94.5 | Very high | 170 Ų | 170 | 87 Ų | 87 | 74% | 0.739 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 33.1 | -172.5 | -55 | 178.4 | -179.3 | 177.7 | 0 | 112.9 | D47 | D47-K51 WeakPolarHBondContact O-CA 3.32Å; D47-K51 PolarHBondContact O-N 3.17Å |
| 52 | K | 93.8 | Very high | 94.5 | Very high | 140 Ų | 140 | 89.4 Ų | 89.4 | 61% | 0.609 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 160 | -177.5 | -67.8 | -177.2 | -174.9 | 178.2 | 0 | 110.4 | D47 V50 V54 | D47-K52 PolarHBondContact N-O 2.89Å; V50-K52 HydrophobicContact CG1-CB 4.11Å; V50-K52 HydrophobicContact CG1-CD 4.16Å; V50-K52 HydrophobicContact CG1-CG 4.24Å; V50-K52 PolarHBondContact O-N 2.86Å; K52-V54 PolarHBondContact O-N 2.86Å |
| 53 | H | 94.1 | Very high | 94.4 | Very high | 114 Ų | 114 | 93.5 Ų | 93.5 | 53% | 0.528 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 118.3 | 170.3 | -75.6 | 79.2 | 0 | 0 | 0 | 109.8 | R44 K45 H46 | R44-H53 HydrophobicContact CG-CB 4.09Å; K45-H53 CarbonylContact O-C 3.57Å; K45-H53 WeakPolarHBondContact O-CA 3.32Å; H46-H53 PolarHBondContact N-CD2 2.99Å |
| 54 | V | 95.7 | Very high | 94.3 | Very high | 28 Ų | 28 | 93 Ų | 93 | 17% | 0.17 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 159.3 | -177.8 | -170.6 | 0 | 0 | 0 | 0 | 109 | A23 A24 R44 K45 D47 K52 F56 | A23-V54 HydrophobicContact CB-CG1 4.16Å; A24-V54 HydrophobicContact CB-CG1 3.96Å; A24-V54 HydrophobicContact CB-CG2 4.26Å; R44-V54 WeakPolarHBondContact CA-O 3.49Å; K45-V54 PolarHBondContact N-O 2.83Å; K45-V54 PolarHBondContact O-N 2.97Å; K45-V54 VanDerWaalsContact O-O 3.13Å; D47-V54 HydrophobicContact CB-CG2 4.24Å; K52-V54 PolarHBondContact O-N 2.86Å; V54-F56 WeakPolarHBondContact O-CD2 3.1Å |
| 55 | L | 96.4 | Very high | 94 | Very high | 85 Ų | 85 | 88.9 Ų | 88.9 | 45% | 0.445 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 139.7 | 169.3 | -70.9 | 162.6 | 0 | 0 | 0 | 110.5 | A23 V42 L43 F57 | A23-L55 HydrophobicContact CB-CB 4.28Å; A23-L55 WeakPolarHBondContact CB-O 3.44Å; A23-L55 PolarHBondContact N-O 3.01Å; V42-L55 HydrophobicContact CG1-CD2 3.82Å; L43-L55 CarbonylContact O-C 3.55Å; L55-F57 HydrophobicContact CB-CE2 4.42Å; L55-F57 HydrophobicContact CB-CZ 4.32Å |
| 56 | F | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 88.9 Ų | 88.9 | 0% | 0 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 133.2 | 174.1 | -76.9 | -102.8 | 0 | 0 | 0 | 108.9 | M20 V21 S22 Y28 F30 V42 L43 K45 D47 V54 | M20-F56 HydrophobicContact CB-CB 4.24Å; M20-F56 HydrophobicContact CB-CD1 4.43Å; M20-F56 HydrophobicContact CE-CB 4.12Å; M20-F56 VanDerWaalsContact CE-O 3.27Å; M20-F56 WeakPolarHBondContact CE-O 3.43Å; V21-F56 VanDerWaalsContact C-CD1 3.44Å; V21-F56 VanDerWaalsContact O-CA 3.32Å; V21-F56 WeakPolarHBondContact O-CA 3.35Å; S22-F56 VanDerWaalsContact N-CD1 3.31Å; Y28-F56 AromaticContact CD1-CE1 3.68Å; Y28-F56 HydrophobicContact CD1-CE1 3.68Å; Y28-F56 AromaticContact CD1-CZ 3.7Å; Y28-F56 HydrophobicContact CD1-CZ 3.7Å; Y28-F56 HydrophobicContact CE1-CE1 4.22Å; Y28-F56 HydrophobicContact CE1-CZ 4.15Å; F30-F56 AromaticContact CD1-CD1 3.82Å; F30-F56 HydrophobicContact CD1-CD1 3.82Å; F30-F56 AromaticContact CD1-CE1 3.91Å; F30-F56 HydrophobicContact CD1-CE1 3.91Å; F30-F56 HydrophobicContact CD1-CG 4.44Å; F30-F56 HydrophobicContact CE1-CB 4.04Å; F30-F56 AromaticContact CE1-CD1 3.43Å; F30-F56 HydrophobicContact CE1-CD1 3.43Å; F30-F56 VanDerWaalsContact CE1-CD1 3.43Å; F30-F56 HydrophobicContact CE1-CD2 4.18Å; F30-F56 AromaticContact CE1-CE1 3.87Å; F30-F56 HydrophobicContact CE1-CE1 3.87Å; F30-F56 AromaticContact CE1-CG 3.61Å; F30-F56 HydrophobicContact CE1-CG 3.61Å; F30-F56 HydrophobicContact CE1-CZ 4.43Å; F30-F56 HydrophobicContact CZ-CB 4.47Å; F30-F56 HydrophobicContact CZ-CG 4.46Å; V42-F56 WeakPolarHBondContact CA-O 3.07Å; L43-F56 PolarHBondContact N-O 3.05Å; L43-F56 PolarHBondContact O-N 2.94Å; K45-F56 HydrophobicContact CB-CD2 3.82Å; K45-F56 HydrophobicContact CB-CE2 3.81Å; K45-F56 WeakPolarHBondContact O-CE2 3.24Å; D47-F56 HydrophobicContact CB-CZ 4.19Å; V54-F56 WeakPolarHBondContact O-CD2 3.1Å |
| 57 | F | 95.6 | Very high | 93.9 | Very high | 98 Ų | 98 | 89.3 Ų | 89.3 | 43% | 0.43 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 144.4 | 179.3 | -62.6 | -69.3 | 0 | 0 | 0 | 110.9 | M20 V21 A23 V42 L55 K59 | M20-F57 CarbonylContact C-O 3.53Å; M20-F57 WeakPolarHBondContact CA-O 3.34Å; V21-F57 PolarHBondContact N-O 3.26Å; V21-F57 PolarHBondContact O-N 3.33Å; A23-F57 HydrophobicContact CB-CD2 3.87Å; A23-F57 HydrophobicContact CB-CE2 3.58Å; V42-F57 HydrophobicContact CB-CD1 4.43Å; V42-F57 HydrophobicContact CB-CE1 4.39Å; V42-F57 HydrophobicContact CG1-CD1 4.03Å; V42-F57 HydrophobicContact CG1-CE1 3.65Å; V42-F57 HydrophobicContact CG2-CD1 3.81Å; V42-F57 HydrophobicContact CG2-CE1 3.88Å; L55-F57 HydrophobicContact CB-CE2 4.42Å; L55-F57 HydrophobicContact CB-CZ 4.32Å; F57-K59 PolarHBondContact O-N 2.64Å |
| 58 | E | 95.5 | Very high | 93.9 | Very high | 17 Ų | 17 | 94.2 Ų | 94.2 | 8% | 0.079 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 117.6 | 173.1 | -173.4 | -177.1 | 154 | 0 | 0 | 111.2 | V18 M20 R34 K40 L41 | V18-E58 HydrophobicContact CB-CG 3.89Å; V18-E58 HydrophobicContact CG1-CG 4.46Å; V18-E58 WeakPolarHBondContact CG1-OE1 3.41Å; V18-E58 HydrophobicContact CG2-CG 4.02Å; M20-E58 HydrophobicContact SD-CB 3.81Å; M20-E58 HydrophobicContact SD-CG 4.35Å; R34-E58 WeakPolarHBondContact CD-OE2 3.19Å; R34-E58 IonicContact CZ-OE1 3.32Å; R34-E58 IonicContact CZ-OE2 3.13Å; R34-E58 VanDerWaalsContact CZ-OE2 3.32Å; R34-E58 IonicContact NE-OE1 2.77Å; R34-E58 PolarHBondContact NE-OE1 3Å; R34-E58 IonicContact NE-OE2 2.78Å; R34-E58 PolarHBondContact NE-OE2 3.32Å; R34-E58 IonicContact NH2-OE1 3.62Å; R34-E58 PolarHBondContact NH2-OE1 3.46Å; R34-E58 IonicContact NH2-OE2 2.75Å; K40-E58 WeakPolarHBondContact CA-OE2 3.46Å; K40-E58 HydrophobicContact CB-CB 4.32Å; L41-E58 PolarHBondContact N-OE2 3.02Å; L41-E58 PolarHBondContact O-N 3.25Å |
| 59 | K | 94.5 | Very high | 93.9 | Very high | 162 Ų | 162 | 96.3 Ų | 96.3 | 70% | 0.704 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -46.9 | 179.9 | -168.3 | 172.5 | -174.4 | 174.6 | 0 | 112.5 | Q19 V21 F57 | Q19-K59 PolarHBondContact O-N 2.96Å; V21-K59 HydrophobicContact CB-CB 4.31Å; V21-K59 HydrophobicContact CB-CD 4.39Å; V21-K59 HydrophobicContact CG2-CB 3.63Å; V21-K59 HydrophobicContact CG2-CD 3.72Å; V21-K59 HydrophobicContact CG2-CG 4.31Å; F57-K59 PolarHBondContact O-N 2.64Å |
| 60 | K | 93.2 | Very high | 94 | Very high | 131 Ų | 131 | 93.3 Ų | 93.3 | 57% | 0.57 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 136.8 | -169.9 | -175.1 | 173.1 | -179.9 | 179.4 | 0 | 112.2 | V18 Q19 | V18-K60 CarbonylContact C-O 3.55Å; V18-K60 WeakPolarHBondContact CA-O 3.47Å; Q19-K60 HydrophobicContact CB-CB 4.46Å; Q19-K60 PolarHBondContact N-O 3.06Å |
| 61 | K | 94.2 | Very high | 94.1 | Very high | 91 Ų | 91 | 95.9 Ų | 95.9 | 40% | 0.396 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 124.9 | 162.9 | 178.2 | -169.5 | 168.1 | -173.1 | 0 | 109 | I16 S64 | I16-K61 HydrophobicContact CB-CG 4.41Å; I16-K61 HydrophobicContact CD1-CD 4.29Å; I16-K61 HydrophobicContact CD1-CG 4.3Å; I16-K61 HydrophobicContact CG2-CD 4.4Å; K61-S64 WeakPolarHBondContact CE-OG 3.37Å; K61-S64 PolarHBondContact NZ-OG 2.91Å |
| 62 | I | 94.3 | Very high | 94.1 | Very high | 77 Ų | 77 | 90.6 Ų | 90.6 | 40% | 0.395 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -64.9 | 179.2 | -61.2 | 171.4 | 0 | 0 | 0 | 109.7 | L17 Q19 N31 | L17-I62 HydrophobicContact CD2-CB 4.4Å; L17-I62 HydrophobicContact CD2-CD1 4.14Å; L17-I62 HydrophobicContact CD2-CG2 4.41Å; L17-I62 HydrophobicContact CG-CD1 4.32Å; L17-I62 PolarHBondContact O-N 2.72Å; Q19-I62 HydrophobicContact CB-CD1 4.11Å; Q19-I62 HydrophobicContact CB-CG1 4.27Å; N31-I62 HydrophobicContact CB-CD1 4.4Å; N31-I62 WeakPolarHBondContact OD1-CD1 3.43Å |
| 63 | R | 92.9 | Very high | 94.2 | Very high | 167 Ų | 167 | 86.8 Ų | 86.8 | 63% | 0.63 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 160.4 | -178.6 | 66.8 | -179.4 | -176.8 | -170.2 | 1.5 | 111.4 | L17 | L17-R63 HydrophobicContact CB-CG 4.26Å; L17-R63 PolarHBondContact N-O 3.07Å |
| 64 | S | 92.4 | Very high | 94.2 | Very high | 54 Ų | 54 | 84.5 Ų | 84.5 | 38% | 0.378 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 134.2 | 169.9 | -32.5 | 0 | 0 | 0 | 0 | 107.7 | S13 R36 K61 | S13-S64 WeakPolarHBondContact OG-CB 3.13Å; R36-S64 PolarHBondContact NH2-OG 3.3Å; K61-S64 WeakPolarHBondContact CE-OG 3.37Å; K61-S64 PolarHBondContact NZ-OG 2.91Å |
| 65 | I | 88.4 | Confident | 94 | Very high | 104 Ų | 104 | 89.6 Ų | 89.6 | 53% | 0.533 | 42% | 0.415 | S | S | . | . | trans | -103.8 | 0 | 175.3 | -55.5 | 175.4 | 0 | 0 | 0 | 107.4 | S13 T15 L17 K33 | S13-I65 VanDerWaalsContact CB-C 3.44Å; S13-I65 WeakPolarHBondContact CB-O 2.92Å; S13-I65 VanDerWaalsContact OG-C 3.23Å; S13-I65 PolarHBondContact OG-N 3.16Å; S13-I65 PolarHBondContact OG-O 2.88Å; T15-I65 PolarHBondContact O-N 3.39Å; L17-I65 HydrophobicContact CB-CD1 3.97Å; L17-I65 HydrophobicContact CB-CG1 4.24Å; L17-I65 HydrophobicContact CD1-CD1 4.24Å; K33-I65 HydrophobicContact CD-CD1 4.01Å; K33-I65 HydrophobicContact CG-CD1 3.96Å |
Retrieved 65 of 65 residues in 68.2 ms
(Link to these results)