| 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 | 42.6 | Very low | 51.7 | Low | 240 Ų | 240 | 164.1 Ų | 164.1 | 100% | 1.182 | 89% | 0.889 | S | S | * | * | 0 | 119.6 | 0 | -163.3 | 81.3 | 92.5 | 0 | 0 | 108 | |||||
| 2 | A | 54.4 | Low | 50.4 | Low | 94 Ų | 94 | 158.2 Ų | 158.2 | 78% | 0.777 | 88% | 0.879 | S | S | * | * | trans | 70.4 | 149.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 3 | P | 56.8 | Low | 49.6 | Very low | 121 Ų | 121 | 153.5 Ų | 153.5 | 79% | 0.786 | 87% | 0.873 | S | S | * | * | cis | -133.7 | 168.7 | -32.6 | 33.1 | -14 | 0 | 0 | 0 | 114.8 | ||||
| 4 | H | 60 | Low | 49.2 | Very low | 181 Ų | 181 | 150.1 Ų | 150.1 | 84% | 0.838 | 86% | 0.86 | S | S | * | * | trans | -42.5 | 121.9 | -178.5 | -66.1 | -90.9 | 0 | 0 | 0 | 117.1 | R6 | H4-R6 PolarHBondContact O-N 3.3Š| ||
| 5 | G | 54.3 | Low | 48.3 | Very low | 88 Ų | 88 | 151.8 Ų | 151.8 | 91% | 0.907 | 86% | 0.86 | S | S | * | * | trans | -69.3 | 89.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | K7 | G5-K7 PolarHBondContact O-N 3.47Š| ||
| 6 | R | 61.1 | Low | 48.4 | Very low | 238 Ų | 238 | 152.8 Ų | 152.8 | 90% | 0.898 | 86% | 0.855 | S | S | * | * | trans | -76.4 | 107.6 | 161.9 | -85.7 | 174 | 167.9 | -179.3 | -4.1 | 108.9 | H4 | H4-R6 PolarHBondContact O-N 3.3Š| ||
| 7 | K | 53.9 | Low | 47.8 | Very low | 211 Ų | 211 | 150.6 Ų | 150.6 | 92% | 0.917 | 85% | 0.847 | S | S | * | * | trans | -125.4 | 101.4 | 149.7 | -86.1 | -171.6 | 177.5 | -176.6 | 0 | 108.3 | G5 | G5-K7 PolarHBondContact O-N 3.47Š| ||
| 8 | R | 58.6 | Low | 48.3 | Very low | 244 Ų | 244 | 148.9 Ų | 148.9 | 92% | 0.921 | 84% | 0.84 | S | S | * | * | trans | -109.3 | 151.7 | 160.9 | -76.3 | -165 | 179 | -138.1 | 2.3 | 108.7 | ||||
| 9 | K | 44.3 | Very low | 47.7 | Very low | 207 Ų | 207 | 149.5 Ų | 149.5 | 90% | 0.9 | 84% | 0.841 | S | S | * | * | trans | 101.4 | 99.1 | 144 | -150.7 | 169.1 | -177.8 | -175.8 | 0 | 116.6 | ||||
| 10 | A | 37.8 | Very low | 47.8 | Very low | 103 Ų | 103 | 150.2 Ų | 150.2 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | -144.4 | 97.9 | 125.9 | 0 | 0 | 0 | 0 | 0 | 107 | |||||
| 11 | G | 45.4 | Very low | 47.7 | Very low | 78 Ų | 78 | 154.7 Ų | 154.7 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | trans | -89 | 126 | 153.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 12 | A | 35.3 | Very low | 48.2 | Very low | 93 Ų | 93 | 150.6 Ų | 150.6 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | trans | -148.3 | 97.1 | 161.8 | 0 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 13 | A | 40.8 | Very low | 47.8 | Very low | 97 Ų | 97 | 154.9 Ų | 154.9 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | 94.2 | 145.3 | 83.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 14 | P | 43.8 | Very low | 47.1 | Very low | 106 Ų | 106 | 156.7 Ų | 156.7 | 69% | 0.688 | 82% | 0.82 | S | S | * | * | trans | -91.8 | 146.8 | -145.1 | 30.9 | -20.9 | 0 | 0 | 0 | 111.2 | ||||
| 15 | M | 35.9 | Very low | 46.1 | Very low | 176 Ų | 176 | 152.7 Ų | 152.7 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | trans | -109.4 | 74.2 | 157.3 | -71 | -176.1 | 77.7 | 0 | 0 | 107.4 | ||||
| 16 | E | 49.9 | Very low | 45.7 | Very low | 167 Ų | 167 | 157.9 Ų | 157.9 | 78% | 0.78 | 82% | 0.819 | S | S | * | * | trans | -78.2 | 104.5 | 146.3 | -71.6 | -167.4 | 125 | 0 | 0 | 106.2 | ||||
| 17 | T | 37.7 | Very low | 45.2 | Very low | 117 Ų | 117 | 149.3 Ų | 149.3 | 72% | 0.718 | 81% | 0.805 | S | S | * | * | trans | -105.5 | 86.4 | 155.6 | 52.6 | 0 | 0 | 0 | 0 | 106.1 | D19 | T17-D19 PolarHBondContact O-N 2.78Š| ||
| 18 | V | 57.2 | Low | 45.8 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | trans | -83.4 | 99.6 | 158.8 | 175.8 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 19 | D | 35.8 | Very low | 46.7 | Very low | 160 Ų | 160 | 131 Ų | 131 | 86% | 0.856 | 74% | 0.74 | S | S | * | * | trans | -135 | 100.9 | 154.7 | -89.6 | -62.5 | 0 | 0 | 0 | 109.6 | T17 R21 | T17-D19 PolarHBondContact O-N 2.78Å; D19-R21 PolarHBondContact O-N 3.48Å | ||
| 20 | K | 50.3 | Low | 48.6 | Very low | 164 Ų | 164 | 121.5 Ų | 121.5 | 71% | 0.713 | 70% | 0.7 | S | S | * | * | trans | -41.9 | 111.9 | 164.5 | -176.3 | 179.9 | -175.5 | -177.2 | 0 | 111.4 | E22 | K20-E22 WeakPolarHBondContact CE-OE2 2.89Å; K20-E22 HydrophobicContact CG-CG 4.26Å; K20-E22 IonicContact NZ-OE2 3.76Å | ||
| 21 | R | 44.9 | Very low | 50.9 | Low | 245 Ų | 245 | 117.7 Ų | 117.7 | 93% | 0.925 | 67% | 0.666 | S | S | * | * | trans | -131.6 | 84.7 | 147.6 | -140.1 | 171.8 | -165.5 | 177.1 | 3 | 108.6 | D19 K23 | D19-R21 PolarHBondContact O-N 3.48Å; R21-K23 PolarHBondContact O-N 2.85Å | ||
| 22 | E | 54.9 | Low | 52.9 | Low | 153 Ų | 153 | 114 Ų | 114 | 72% | 0.715 | 63% | 0.628 | S | S | * | * | trans | -58.2 | 133.2 | 164.9 | -64.7 | 175.6 | 101.6 | 0 | 0 | 108.5 | K20 | K20-E22 WeakPolarHBondContact CE-OE2 2.89Å; K20-E22 HydrophobicContact CG-CG 4.26Å; K20-E22 IonicContact NZ-OE2 3.76Å | ||
| 23 | K | 44.7 | Very low | 55.5 | Low | 184 Ų | 184 | 111.4 Ų | 111.4 | 80% | 0.8 | 60% | 0.6 | S | S | * | * | trans | 118.5 | 120.1 | 152.9 | -153.5 | 165.4 | -179.8 | -172.5 | 0 | 114 | R21 | R21-K23 PolarHBondContact O-N 2.85Š| ||
| 24 | L | 41.8 | Very low | 57.7 | Low | 160 Ų | 160 | 107.8 Ų | 107.8 | 84% | 0.838 | 57% | 0.566 | S | S | * | * | S | Bend | trans | 82.2 | 102.1 | 173.7 | -52.2 | 126.3 | 0 | 0 | 0 | 111.9 | ||
| 25 | A | 40.6 | Very low | 59.6 | Low | 96 Ų | 96 | 102.8 Ų | 102.8 | 79% | 0.793 | 53% | 0.534 | S | S | * | . | S | Bend | cis | -149.7 | 176.6 | 38.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | G27 | A25-G27 PolarHBondContact O-N 3.42Š|
| 26 | E | 44.1 | Very low | 61.8 | Low | 197 Ų | 197 | 99.5 Ų | 99.5 | 92% | 0.921 | 52% | 0.524 | S | S | * | . | trans | -55.8 | 87.8 | -172.7 | -67.6 | 151.9 | 146.5 | 0 | 0 | 114.4 | A28 | E26-A28 PolarHBondContact O-N 2.89Š| ||
| 27 | G | 52 | Low | 63.4 | Low | 58 Ų | 58 | 95.1 Ų | 95.1 | 60% | 0.598 | 51% | 0.512 | S | S | * | . | 68.4 | 4.6 | 126.1 | 0 | 0 | 0 | 0 | 0 | 121 | A25 T29 S78 | A25-G27 PolarHBondContact O-N 3.42Å; G27-T29 PolarHBondContact O-N 2.96Å; G27-S78 PolarHBondContact O-OG 3.22Å | |||
| 28 | A | 65.8 | Low | 65.5 | Low | 29 Ų | 29 | 91.7 Ų | 91.7 | 24% | 0.24 | 49% | 0.492 | C | S | . | . | trans | -83 | 92.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E26 L59 N77 | E26-A28 PolarHBondContact O-N 2.89Å; A28-L59 HydrophobicContact CB-CD2 4.44Å; A28-L59 WeakPolarHBondContact O-CD2 3.41Å; A28-N77 WeakPolarHBondContact CB-OD1 3.4Å | ||
| 29 | T | 77.8 | Confident | 66.7 | Low | 41 Ų | 41 | 96.9 Ų | 96.9 | 25% | 0.252 | 50% | 0.499 | S | S | . | . | trans | -88.2 | 133.6 | 169.3 | -57.7 | 0 | 0 | 0 | 0 | 109.3 | G27 V31 P60 Q62 N77 S78 | G27-T29 PolarHBondContact O-N 2.96Å; T29-V31 HydrophobicContact CG2-CG2 4.41Å; T29-P60 HydrophobicContact CG2-CB 4.38Å; T29-P60 HydrophobicContact CG2-CG 4.18Å; T29-Q62 HydrophobicContact CG2-CG 4.27Å; T29-N77 WeakPolarHBondContact O-CA 3.48Å; T29-S78 PolarHBondContact N-OG 3.29Å; T29-S78 PolarHBondContact O-N 3.01Å; T29-S78 VanDerWaalsContact O-N 3.15Å; T29-S78 PolarHBondContact O-OG 3.15Å | ||
| 30 | V | 83.9 | Confident | 69.1 | Low | 9 Ų | 9 | 93.6 Ų | 93.6 | 6% | 0.055 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 122.1 | 175.5 | -176.9 | 0 | 0 | 0 | 0 | 109.3 | I32 L52 P60 V61 Q62 V75 L76 | V30-I32 HydrophobicContact CG1-CG1 4.34Å; V30-L52 HydrophobicContact CB-CD1 4.43Å; V30-L52 HydrophobicContact CG1-CD1 3.82Å; V30-P60 PolarHBondContact N-O 2.9Å; V30-V61 CarbonylContact O-C 3.28Å; V30-V61 WeakPolarHBondContact O-CA 3.47Å; V30-Q62 PolarHBondContact O-N 2.99Å; V30-V75 HydrophobicContact CG1-CG1 3.88Å; V30-L76 CarbonylContact C-O 3.53Å; V30-L76 WeakPolarHBondContact CA-O 3.47Å |
| 31 | V | 86.1 | Confident | 70.8 | Confident | 22 Ų | 22 | 89.6 Ų | 89.6 | 13% | 0.133 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 121.8 | 175.2 | -178.1 | 0 | 0 | 0 | 0 | 108.9 | T29 E33 Q62 P65 V75 L76 | T29-V31 HydrophobicContact CG2-CG2 4.41Å; V31-E33 HydrophobicContact CG1-CG 4.05Å; V31-Q62 CarbonylContact C-O 3.57Å; V31-Q62 WeakPolarHBondContact CA-O 3.34Å; V31-Q62 HydrophobicContact CG2-CB 4.31Å; V31-P65 HydrophobicContact CG1-CG 3.47Å; V31-P65 VanDerWaalsContact CG1-CG 3.47Å; V31-V75 CarbonylContact O-C 3.57Å; V31-V75 WeakPolarHBondContact O-CA 3.48Å; V31-L76 HydrophobicContact CB-CB 4.22Å; V31-L76 PolarHBondContact N-O 3.44Å; V31-L76 PolarHBondContact O-N 3.48Å |
| 32 | I | 88.6 | Confident | 72.7 | Confident | 1 Ų | 1 | 79.1 Ų | 79.1 | 1% | 0.005 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 109.7 | 174.9 | -55.7 | 172.4 | 0 | 0 | 0 | 107.6 | V30 A45 L48 L52 V61 Q62 V63 N64 F73 V75 | V30-I32 HydrophobicContact CG1-CG1 4.34Å; I32-A45 HydrophobicContact CG2-CB 3.87Å; I32-L48 HydrophobicContact CD1-CB 4.08Å; I32-L52 HydrophobicContact CD1-CD1 4.19Å; I32-V61 HydrophobicContact CD1-CG1 3.93Å; I32-V61 HydrophobicContact CG1-CG1 4.46Å; I32-Q62 PolarHBondContact N-O 2.97Å; I32-V63 HydrophobicContact CB-CG2 4.38Å; I32-V63 HydrophobicContact CD1-CG2 4.48Å; I32-V63 CarbonylContact O-C 3.55Å; I32-V63 WeakPolarHBondContact O-CA 3.48Å; I32-N64 PolarHBondContact O-N 3.12Å; I32-F73 HydrophobicContact CG2-CE2 4.46Å; I32-F73 HydrophobicContact CG2-CZ 4.33Å; I32-V75 HydrophobicContact CG1-CG1 4.47Å; I32-V75 HydrophobicContact CG1-CG2 4.47Å |
| 33 | E | 88.3 | Confident | 74.3 | Confident | 39 Ų | 39 | 81.8 Ų | 81.8 | 18% | 0.182 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 130 | 172.2 | -63.2 | -162.1 | 164.9 | 0 | 0 | 110.2 | V31 N64 F73 E74 | V31-E33 HydrophobicContact CG1-CG 4.05Å; E33-N64 WeakPolarHBondContact CA-OD1 3.37Å; E33-F73 CarbonylContact O-C 3.54Å; E33-F73 WeakPolarHBondContact O-CA 3.29Å; E33-E74 HydrophobicContact CB-CB 4.49Å; E33-E74 PolarHBondContact N-O 3.21Å; E33-E74 PolarHBondContact O-N 3.1Å |
| 34 | H | 87 | Confident | 76.3 | Confident | 20 Ų | 20 | 77.4 Ų | 77.4 | 9% | 0.093 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 149 | 178.5 | 75.7 | 82.4 | 0 | 0 | 0 | 112.7 | T36 A45 N64 P68 S72 F73 | H34-T36 PolarHBondContact O-N 2.89Å; H34-A45 HydrophobicContact CB-CB 4.42Å; H34-A45 WeakPolarHBondContact CD2-CB 3.36Å; H34-N64 PolarHBondContact CD2-ND2 3.42Å; H34-N64 PolarHBondContact CE1-ND2 3.27Å; H34-N64 PolarHBondContact N-OD1 3.18Å; H34-N64 PolarHBondContact NE2-ND2 3.21Å; H34-N64 PolarHBondContact O-OD1 3.43Å; H34-P68 VanDerWaalsContact O-CB 3.24Å; H34-P68 WeakPolarHBondContact O-CB 2.98Å; H34-P68 WeakPolarHBondContact O-CG 3.46Å; H34-S72 CarbonylContact C-O 3.52Å; H34-S72 WeakPolarHBondContact CA-O 3.37Å; H34-F73 HydrophobicContact CB-CD2 3.66Å; H34-F73 HydrophobicContact CB-CE2 4.01Å |
| 35 | C | 83.8 | Confident | 78.5 | Confident | 2 Ų | 2 | 69.8 Ų | 69.8 | 1% | 0.014 | 38% | 0.38 | C | S | . | . | trans | -57.8 | 122.7 | 171.1 | -173.4 | 0 | 0 | 0 | 0 | 110.8 | S37 C38 Y41 G71 S72 | C35-S37 PolarHBondContact SG-OG 3.3Å; C35-C38 HydrophobicContact CB-CB 3.93Å; C35-C38 PolarHBondContact O-N 2.87Å; C35-C38 PolarHBondContact SG-SG 3.12Å; C35-Y41 HydrophobicContact CB-CD2 3.83Å; C35-Y41 HydrophobicContact CB-CE2 4.4Å; C35-G71 PolarHBondContact SG-N 3.49Å; C35-S72 PolarHBondContact N-O 3.08Å | ||
| 36 | T | 83.8 | Confident | 80.7 | Confident | 107 Ų | 107 | 67.3 Ų | 67.3 | 66% | 0.656 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -24.6 | -178.3 | 52.4 | 0 | 0 | 0 | 0 | 113.2 | H34 P68 | H34-T36 PolarHBondContact O-N 2.89Å; T36-P68 HydrophobicContact CG2-CG 3.79Å |
| 37 | S | 82.8 | Confident | 82.8 | Confident | 75 Ų | 75 | 60.1 Ų | 60.1 | 52% | 0.524 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -16.3 | 175.5 | 57.9 | 0 | 0 | 0 | 0 | 113.4 | C35 R39 | C35-S37 PolarHBondContact SG-OG 3.3Å; S37-R39 PolarHBondContact O-N 2.84Å |
| 38 | C | 80.9 | Confident | 84.4 | Confident | 45 Ų | 45 | 59.4 Ų | 59.4 | 30% | 0.304 | 32% | 0.316 | S | S | . | . | trans | -89.7 | 103 | -178.7 | -66.9 | 0 | 0 | 0 | 0 | 110.2 | C35 V40 Y41 G42 | C35-C38 HydrophobicContact CB-CB 3.93Å; C35-C38 PolarHBondContact O-N 2.87Å; C35-C38 PolarHBondContact SG-SG 3.12Å; C38-V40 PolarHBondContact O-N 2.77Å; C38-Y41 HydrophobicContact CB-CD2 3.66Å; C38-Y41 HydrophobicContact CB-CE2 4.33Å; C38-Y41 HydrophobicContact CB-CG 3.88Å; C38-Y41 PolarHBondContact O-N 2.83Å; C38-Y41 VanDerWaalsContact O-N 3.14Å; C38-G42 PolarHBondContact O-N 2.78Å; C38-G42 VanDerWaalsContact O-N 3.13Å | ||
| 39 | R | 82.9 | Confident | 85.3 | Confident | 227 Ų | 227 | 59 Ų | 59 | 86% | 0.857 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -57.7 | -35.1 | 179.7 | -66.2 | -172.8 | -179 | -174.4 | 1 | 113.4 | S37 R43 | S37-R39 PolarHBondContact O-N 2.84Å; R39-R43 PolarHBondContact O-N 2.88Å |
| 40 | V | 87.1 | Confident | 85.8 | Confident | 91 Ų | 91 | 62.6 Ų | 62.6 | 55% | 0.552 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.1 | -48.2 | 177.1 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | C38 G42 R43 H44 | C38-V40 PolarHBondContact O-N 2.77Å; V40-G42 PolarHBondContact O-N 2.8Å; V40-R43 PolarHBondContact O-N 3.07Å; V40-H44 WeakPolarHBondContact CG1-NE2 3.17Å; V40-H44 PolarHBondContact O-CD2 2.82Å; V40-H44 PolarHBondContact O-N 3.5Å; V40-H44 VanDerWaalsContact O-N 3.1Å |
| 41 | Y | 84.5 | Confident | 85.8 | Confident | 81 Ų | 81 | 62.5 Ų | 62.5 | 32% | 0.318 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.8 | -36.4 | -179.6 | -66.2 | -10.7 | 0 | 0 | 0 | 113 | C35 C38 R43 H44 A45 F73 | C35-Y41 HydrophobicContact CB-CD2 3.83Å; C35-Y41 HydrophobicContact CB-CE2 4.4Å; C38-Y41 HydrophobicContact CB-CD2 3.66Å; C38-Y41 HydrophobicContact CB-CE2 4.33Å; C38-Y41 HydrophobicContact CB-CG 3.88Å; C38-Y41 PolarHBondContact O-N 2.83Å; C38-Y41 VanDerWaalsContact O-N 3.14Å; Y41-R43 VanDerWaalsContact C-N 3.33Å; Y41-R43 PolarHBondContact O-N 3.43Å; Y41-H44 PolarHBondContact O-N 3.43Å; Y41-A45 WeakPolarHBondContact O-CB 3.38Å; Y41-A45 PolarHBondContact O-N 2.93Å; Y41-F73 HydrophobicContact CD1-CD2 4.41Å; Y41-F73 HydrophobicContact CD2-CB 4.29Å; Y41-F73 HydrophobicContact CE2-CB 4.35Å; Y41-F73 HydrophobicContact CG-CB 4.45Å; Y41-F73 HydrophobicContact CG-CD2 4.13Å |
| 42 | G | 85.4 | Confident | 85.7 | Confident | 25 Ų | 25 | 62.7 Ų | 62.7 | 26% | 0.258 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.7 | -40.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | C38 V40 A46 | C38-G42 PolarHBondContact O-N 2.78Å; C38-G42 VanDerWaalsContact O-N 3.13Å; V40-G42 PolarHBondContact O-N 2.8Å; G42-A46 WeakPolarHBondContact O-CB 3.34Å; G42-A46 PolarHBondContact O-N 2.81Å; G42-A46 VanDerWaalsContact O-N 3.07Å |
| 43 | R | 88.4 | Confident | 85.3 | Confident | 208 Ų | 208 | 68 Ų | 68 | 79% | 0.785 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -65.1 | -42.9 | 175.7 | -73.9 | -171.1 | 170.3 | -163 | -3.6 | 112.2 | R39 V40 Y41 A47 | R39-R43 PolarHBondContact O-N 2.88Å; V40-R43 PolarHBondContact O-N 3.07Å; Y41-R43 VanDerWaalsContact C-N 3.33Å; Y41-R43 PolarHBondContact O-N 3.43Å; R43-A47 WeakPolarHBondContact O-CB 3.44Å; R43-A47 PolarHBondContact O-N 3.36Å |
| 44 | H | 86.2 | Confident | 84.9 | Confident | 92 Ų | 92 | 73 Ų | 73 | 43% | 0.426 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67 | -40.9 | 178 | -67.8 | -55.5 | 0 | 0 | 0 | 112.5 | V40 Y41 A47 L48 F73 | V40-H44 WeakPolarHBondContact CG1-NE2 3.17Å; V40-H44 PolarHBondContact O-CD2 2.82Å; V40-H44 PolarHBondContact O-N 3.5Å; V40-H44 VanDerWaalsContact O-N 3.1Å; Y41-H44 PolarHBondContact O-N 3.43Å; H44-A47 PolarHBondContact O-N 3Å; H44-L48 WeakPolarHBondContact O-CB 3.3Å; H44-L48 PolarHBondContact O-N 3.45Å; H44-F73 HydrophobicContact CB-CE2 4.17Å; H44-F73 HydrophobicContact CB-CZ 4.26Å |
| 45 | A | 88 | Confident | 84.5 | Confident | 1 Ų | 1 | 76.3 Ų | 76.3 | 1% | 0.008 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I32 H34 Y41 L48 S49 F73 | I32-A45 HydrophobicContact CG2-CB 3.87Å; H34-A45 HydrophobicContact CB-CB 4.42Å; H34-A45 WeakPolarHBondContact CD2-CB 3.36Å; Y41-A45 WeakPolarHBondContact O-CB 3.38Å; Y41-A45 PolarHBondContact O-N 2.93Å; A45-L48 PolarHBondContact O-N 3.23Å; A45-S49 WeakPolarHBondContact O-CB 3.37Å; A45-S49 PolarHBondContact O-N 2.87Å; A45-S49 PolarHBondContact O-OG 3.18Å; A45-F73 HydrophobicContact CB-CE2 4.16Å |
| 46 | A | 87.4 | Confident | 84.1 | Confident | 44 Ų | 44 | 77 Ų | 77 | 36% | 0.364 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G42 S49 Q50 | G42-A46 WeakPolarHBondContact O-CB 3.34Å; G42-A46 PolarHBondContact O-N 2.81Å; G42-A46 VanDerWaalsContact O-N 3.07Å; A46-S49 PolarHBondContact O-OG 3.35Å; A46-Q50 VanDerWaalsContact O-CG 3.29Å; A46-Q50 WeakPolarHBondContact O-CG 3.27Å; A46-Q50 PolarHBondContact O-N 2.94Å; A46-Q50 VanDerWaalsContact O-N 3.13Å |
| 47 | A | 87.3 | Confident | 83.8 | Confident | 46 Ų | 46 | 77 Ų | 77 | 38% | 0.38 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R43 H44 A51 | R43-A47 WeakPolarHBondContact O-CB 3.44Å; R43-A47 PolarHBondContact O-N 3.36Å; H44-A47 PolarHBondContact O-N 3Å; A47-A51 WeakPolarHBondContact O-CB 3.08Å; A47-A51 PolarHBondContact O-N 3.05Å |
| 48 | L | 86.1 | Confident | 83.4 | Confident | 43 Ų | 43 | 81.9 Ų | 81.9 | 23% | 0.225 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.9 | -43.1 | 176.4 | -80.8 | 174.1 | 0 | 0 | 0 | 112.3 | I32 H44 A45 Q50 A51 L52 F73 V75 L95 | I32-L48 HydrophobicContact CD1-CB 4.08Å; H44-L48 WeakPolarHBondContact O-CB 3.3Å; H44-L48 PolarHBondContact O-N 3.45Å; A45-L48 PolarHBondContact O-N 3.23Å; L48-Q50 VanDerWaalsContact C-N 3.29Å; L48-Q50 PolarHBondContact O-N 2.89Å; L48-A51 PolarHBondContact O-N 3.23Å; L48-L52 WeakPolarHBondContact O-CB 3.38Å; L48-L52 VanDerWaalsContact O-CG 3.27Å; L48-L52 WeakPolarHBondContact O-CG 3.37Å; L48-L52 PolarHBondContact O-N 2.8Å; L48-F73 HydrophobicContact CD1-CE1 4.08Å; L48-F73 HydrophobicContact CD1-CZ 3.79Å; L48-V75 HydrophobicContact CD1-CG2 4.42Å; L48-L95 HydrophobicContact CD2-CD1 3.86Å; L48-L95 HydrophobicContact CD2-CD2 4.09Å |
| 49 | S | 85.3 | Confident | 83.2 | Confident | 19 Ų | 19 | 82.4 Ų | 82.4 | 13% | 0.133 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 178.4 | 65.3 | 0 | 0 | 0 | 0 | 111.5 | A45 A46 Q53 | A45-S49 WeakPolarHBondContact O-CB 3.37Å; A45-S49 PolarHBondContact O-N 2.87Å; A45-S49 PolarHBondContact O-OG 3.18Å; A46-S49 PolarHBondContact O-OG 3.35Å; S49-Q53 VanDerWaalsContact O-CG 3.27Å; S49-Q53 WeakPolarHBondContact O-CG 3.37Å; S49-Q53 PolarHBondContact O-N 3.13Å |
| 50 | Q | 87.5 | Confident | 83.1 | Confident | 118 Ų | 118 | 74.9 Ų | 74.9 | 55% | 0.551 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -66.3 | -45.5 | 175.6 | -72.3 | 174.9 | 3.8 | 0 | 0 | 112 | A46 L48 L52 Q53 L54 | A46-Q50 VanDerWaalsContact O-CG 3.29Å; A46-Q50 WeakPolarHBondContact O-CG 3.27Å; A46-Q50 PolarHBondContact O-N 2.94Å; A46-Q50 VanDerWaalsContact O-N 3.13Å; L48-Q50 VanDerWaalsContact C-N 3.29Å; L48-Q50 PolarHBondContact O-N 2.89Å; Q50-L52 VanDerWaalsContact C-N 3.3Å; Q50-L52 PolarHBondContact O-N 3.37Å; Q50-Q53 PolarHBondContact O-N 3.39Å; Q50-L54 VanDerWaalsContact O-CG 3.32Å; Q50-L54 WeakPolarHBondContact O-CG 3.42Å; Q50-L54 PolarHBondContact O-N 3.26Å |
| 51 | A | 84.5 | Confident | 82.9 | Confident | 7 Ų | 7 | 72.1 Ų | 72.1 | 6% | 0.058 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | A47 L48 L54 E55 F92 | A47-A51 WeakPolarHBondContact O-CB 3.08Å; A47-A51 PolarHBondContact O-N 3.05Å; L48-A51 PolarHBondContact O-N 3.23Å; A51-L54 PolarHBondContact O-N 3.34Å; A51-E55 WeakPolarHBondContact O-CB 3.24Å; A51-E55 WeakPolarHBondContact O-CG 3.46Å; A51-E55 PolarHBondContact O-N 3.4Å; A51-F92 HydrophobicContact CB-CE2 4.04Å; A51-F92 HydrophobicContact CB-CZ 3.98Å |
| 52 | L | 83.1 | Confident | 83 | Confident | 26 Ų | 26 | 72.7 Ų | 72.7 | 14% | 0.136 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 176.4 | -72.5 | 169.5 | 0 | 0 | 0 | 112 | V30 I32 L48 Q50 L54 A56 V61 | V30-L52 HydrophobicContact CB-CD1 4.43Å; V30-L52 HydrophobicContact CG1-CD1 3.82Å; I32-L52 HydrophobicContact CD1-CD1 4.19Å; L48-L52 WeakPolarHBondContact O-CB 3.38Å; L48-L52 VanDerWaalsContact O-CG 3.27Å; L48-L52 WeakPolarHBondContact O-CG 3.37Å; L48-L52 PolarHBondContact O-N 2.8Å; Q50-L52 VanDerWaalsContact C-N 3.3Å; Q50-L52 PolarHBondContact O-N 3.37Å; L52-L54 VanDerWaalsContact C-N 3.29Å; L52-L54 PolarHBondContact O-N 3.42Å; L52-A56 CarbonylContact O-C 3.56Å; L52-A56 VanDerWaalsContact O-C 3.28Å; L52-A56 WeakPolarHBondContact O-CA 3.33Å; L52-A56 PolarHBondContact O-N 2.99Å; L52-V61 HydrophobicContact CB-CG2 3.85Å; L52-V61 HydrophobicContact CD1-CG1 4.34Å; L52-V61 HydrophobicContact CD1-CG2 4.07Å |
| 53 | Q | 81.3 | Confident | 83.1 | Confident | 112 Ų | 112 | 74.5 Ų | 74.5 | 52% | 0.523 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.8 | -33.2 | 176.2 | -73.2 | 170.4 | 3.4 | 0 | 0 | 112.8 | S49 Q50 P57 | S49-Q53 VanDerWaalsContact O-CG 3.27Å; S49-Q53 WeakPolarHBondContact O-CG 3.37Å; S49-Q53 PolarHBondContact O-N 3.13Å; Q50-Q53 PolarHBondContact O-N 3.39Å; Q53-P57 VanDerWaalsContact O-CA 3.3Å; Q53-P57 WeakPolarHBondContact O-CA 3.32Å; Q53-P57 WeakPolarHBondContact O-CB 3.32Å |
| 54 | L | 80.4 | Confident | 83 | Confident | 145 Ų | 145 | 66.4 Ų | 66.4 | 76% | 0.759 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -74.4 | -43.7 | 177.9 | -72.1 | 172.7 | 0 | 0 | 0 | 112.6 | Q50 A51 L52 | Q50-L54 VanDerWaalsContact O-CG 3.32Å; Q50-L54 WeakPolarHBondContact O-CG 3.42Å; Q50-L54 PolarHBondContact O-N 3.26Å; A51-L54 PolarHBondContact O-N 3.34Å; L52-L54 VanDerWaalsContact C-N 3.29Å; L52-L54 PolarHBondContact O-N 3.42Å |
| 55 | E | 77.4 | Confident | 82.8 | Confident | 89 Ų | 89 | 65.4 Ų | 65.4 | 42% | 0.416 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -79 | -32.2 | -178.8 | -64.8 | -74.9 | 157.2 | 0 | 0 | 111.8 | A51 K96 L99 | A51-E55 WeakPolarHBondContact O-CB 3.24Å; A51-E55 WeakPolarHBondContact O-CG 3.46Å; A51-E55 PolarHBondContact O-N 3.4Å; E55-K96 WeakPolarHBondContact OE1-CE 3.49Å; E55-K96 IonicContact OE1-NZ 3.91Å; E55-L99 HydrophobicContact CB-CD2 4.2Å |
| 56 | A | 75.6 | Confident | 82.4 | Confident | 17 Ų | 17 | 69 Ų | 69 | 14% | 0.14 | 39% | 0.389 | C | S | . | . | trans | -146.3 | 77.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L52 E58 L59 | L52-A56 CarbonylContact O-C 3.56Å; L52-A56 VanDerWaalsContact O-C 3.28Å; L52-A56 WeakPolarHBondContact O-CA 3.33Å; L52-A56 PolarHBondContact O-N 2.99Å; A56-E58 PolarHBondContact O-N 3.48Å; A56-E58 VanDerWaalsContact O-N 3.12Å; A56-L59 HydrophobicContact CB-CB 4.18Å; A56-L59 HydrophobicContact CB-CD1 3.52Å; A56-L59 HydrophobicContact CB-CG 3.79Å; A56-L59 PolarHBondContact O-N 2.83Å; A56-L59 VanDerWaalsContact O-N 3.08Å | ||
| 57 | P | 77.1 | Confident | 81.7 | Confident | 105 Ų | 105 | 76.9 Ų | 76.9 | 68% | 0.682 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -18.2 | -179.7 | 25.9 | -34.6 | 0 | 0 | 0 | 113.3 | Q53 | Q53-P57 VanDerWaalsContact O-CA 3.3Å; Q53-P57 WeakPolarHBondContact O-CA 3.32Å; Q53-P57 WeakPolarHBondContact O-CB 3.32Å |
| 58 | E | 75.2 | Confident | 81.2 | Confident | 178 Ų | 178 | 76 Ų | 76 | 83% | 0.832 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -10.3 | 178.5 | -51.5 | -148.5 | 149.7 | 0 | 0 | 113.1 | A56 P60 | A56-E58 PolarHBondContact O-N 3.48Å; A56-E58 VanDerWaalsContact O-N 3.12Å; E58-P60 WeakPolarHBondContact O-CD 3.27Å |
| 59 | L | 77.1 | Confident | 80.6 | Confident | 57 Ų | 57 | 82.7 Ų | 82.7 | 30% | 0.298 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -85.7 | 122.5 | 177.3 | -71.4 | 178.1 | 0 | 0 | 0 | 111 | A28 A56 V61 | A28-L59 HydrophobicContact CB-CD2 4.44Å; A28-L59 WeakPolarHBondContact O-CD2 3.41Å; A56-L59 HydrophobicContact CB-CB 4.18Å; A56-L59 HydrophobicContact CB-CD1 3.52Å; A56-L59 HydrophobicContact CB-CG 3.79Å; A56-L59 PolarHBondContact O-N 2.83Å; A56-L59 VanDerWaalsContact O-N 3.08Å; L59-V61 PolarHBondContact O-N 3.28Å |
| 60 | P | 80.8 | Confident | 80 | Confident | 68 Ų | 68 | 92.7 Ų | 92.7 | 44% | 0.442 | 46% | 0.462 | S | S | . | . | trans | -69.6 | 122.9 | 173.7 | 25.9 | -29.5 | 0 | 0 | 0 | 110.2 | T29 V30 E58 | T29-P60 HydrophobicContact CG2-CB 4.38Å; T29-P60 HydrophobicContact CG2-CG 4.18Å; V30-P60 PolarHBondContact N-O 2.9Å; E58-P60 WeakPolarHBondContact O-CD 3.27Å | ||
| 61 | V | 83.3 | Confident | 79.4 | Confident | 33 Ų | 33 | 89.1 Ų | 89.1 | 20% | 0.2 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 122.8 | 176.3 | -176.4 | 0 | 0 | 0 | 0 | 109.7 | V30 I32 L52 L59 V63 | V30-V61 CarbonylContact O-C 3.28Å; V30-V61 WeakPolarHBondContact O-CA 3.47Å; I32-V61 HydrophobicContact CD1-CG1 3.93Å; I32-V61 HydrophobicContact CG1-CG1 4.46Å; L52-V61 HydrophobicContact CB-CG2 3.85Å; L52-V61 HydrophobicContact CD1-CG1 4.34Å; L52-V61 HydrophobicContact CD1-CG2 4.07Å; L59-V61 PolarHBondContact O-N 3.28Å; V61-V63 HydrophobicContact CG1-CG2 4.48Å |
| 62 | Q | 86.6 | Confident | 79.1 | Confident | 93 Ų | 93 | 89.6 Ų | 89.6 | 44% | 0.435 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 134.2 | 174.9 | -63.7 | -175.8 | -11.3 | 0 | 0 | 110 | T29 V30 V31 I32 | T29-Q62 HydrophobicContact CG2-CG 4.27Å; V30-Q62 PolarHBondContact O-N 2.99Å; V31-Q62 CarbonylContact C-O 3.57Å; V31-Q62 WeakPolarHBondContact CA-O 3.34Å; V31-Q62 HydrophobicContact CG2-CB 4.31Å; I32-Q62 PolarHBondContact N-O 2.97Å |
| 63 | V | 86.5 | Confident | 79.1 | Confident | 63 Ų | 63 | 90.6 Ų | 90.6 | 38% | 0.382 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 120.8 | 177.1 | -175.2 | 0 | 0 | 0 | 0 | 108.8 | I32 V61 | I32-V63 HydrophobicContact CB-CG2 4.38Å; I32-V63 HydrophobicContact CD1-CG2 4.48Å; I32-V63 CarbonylContact O-C 3.55Å; I32-V63 WeakPolarHBondContact O-CA 3.48Å; V61-V63 HydrophobicContact CG1-CG2 4.48Å |
| 64 | N | 86.3 | Confident | 79.1 | Confident | 38 Ų | 38 | 89 Ų | 89 | 20% | 0.203 | 46% | 0.456 | C | S | . | . | trans | 47.4 | 59.5 | -176.7 | -57.7 | -40.8 | 0 | 0 | 0 | 114.3 | I32 E33 H34 S66 P68 | I32-N64 PolarHBondContact O-N 3.12Å; E33-N64 WeakPolarHBondContact CA-OD1 3.37Å; H34-N64 PolarHBondContact CD2-ND2 3.42Å; H34-N64 PolarHBondContact CE1-ND2 3.27Å; H34-N64 PolarHBondContact N-OD1 3.18Å; H34-N64 PolarHBondContact NE2-ND2 3.21Å; H34-N64 PolarHBondContact O-OD1 3.43Å; N64-S66 PolarHBondContact O-N 3.37Å; N64-P68 HydrophobicContact CB-CG 4.49Å | ||
| 65 | P | 81.4 | Confident | 79.2 | Confident | 71 Ų | 71 | 84.6 Ų | 84.6 | 46% | 0.461 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -63.1 | -28.8 | 175.7 | 28 | -35 | 0 | 0 | 0 | 112.1 | V31 | V31-P65 HydrophobicContact CG1-CG 3.47Å; V31-P65 VanDerWaalsContact CG1-CG 3.47Å |
| 66 | S | 80 | Confident | 79.2 | Confident | 78 Ų | 78 | 84.4 Ų | 84.4 | 55% | 0.545 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -117 | 164.1 | 173.1 | -75 | 0 | 0 | 0 | 0 | 111.4 | N64 P68 | N64-S66 PolarHBondContact O-N 3.37Å; S66-P68 WeakPolarHBondContact O-CD 3.46Å; S66-P68 VanDerWaalsContact O-N 3.08Å |
| 67 | K | 73.4 | Confident | 79.1 | Confident | 208 Ų | 208 | 85.1 Ų | 85.1 | 90% | 0.904 | 44% | 0.438 | S | S | * | . | trans | -64 | 109.7 | 179.6 | -145.5 | 172.4 | -168.1 | 174.5 | 0 | 108.9 | ||||
| 68 | P | 76.8 | Confident | 78.3 | Confident | 27 Ų | 27 | 84 Ų | 84 | 18% | 0.175 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 149 | -169 | 27.4 | -31.9 | 0 | 0 | 0 | 110.7 | H34 T36 N64 S66 | H34-P68 VanDerWaalsContact O-CB 3.24Å; H34-P68 WeakPolarHBondContact O-CB 2.98Å; H34-P68 WeakPolarHBondContact O-CG 3.46Å; T36-P68 HydrophobicContact CG2-CG 3.79Å; N64-P68 HydrophobicContact CB-CG 4.49Å; S66-P68 WeakPolarHBondContact O-CD 3.46Å; S66-P68 VanDerWaalsContact O-N 3.08Å |
| 69 | R | 73.6 | Confident | 76.9 | Confident | 185 Ų | 185 | 78.4 Ų | 78.4 | 70% | 0.698 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 151.4 | 173.1 | -75.1 | -154.9 | -69.5 | -98.1 | -3.2 | 110.9 | G71 S72 | R69-G71 PolarHBondContact O-N 3.39Å; R69-S72 PolarHBondContact O-N 3.29Å; R69-S72 PolarHBondContact O-OG 2.88Å |
| 70 | R | 72.5 | Confident | 75.5 | Confident | 228 Ų | 228 | 80.9 Ų | 80.9 | 86% | 0.86 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | 127.4 | -179.7 | -148.5 | -175.6 | -170.3 | -150.8 | 4.2 | 109.3 | S72 | R70-S72 VanDerWaalsContact C-N 3.33Å; R70-S72 PolarHBondContact O-N 3.31Å |
| 71 | G | 75.1 | Confident | 73.6 | Confident | 44 Ų | 44 | 84.1 Ų | 84.1 | 45% | 0.454 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 7.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | C35 R69 | C35-G71 PolarHBondContact SG-N 3.49Å; R69-G71 PolarHBondContact O-N 3.39Å |
| 72 | S | 78.8 | Confident | 71.7 | Confident | 16 Ų | 16 | 85.9 Ų | 85.9 | 11% | 0.112 | 46% | 0.461 | C | S | . | . | trans | -86.9 | 148.7 | 173.8 | 59.9 | 0 | 0 | 0 | 0 | 111.9 | H34 C35 R69 R70 | H34-S72 CarbonylContact C-O 3.52Å; H34-S72 WeakPolarHBondContact CA-O 3.37Å; C35-S72 PolarHBondContact N-O 3.08Å; R69-S72 PolarHBondContact O-N 3.29Å; R69-S72 PolarHBondContact O-OG 2.88Å; R70-S72 VanDerWaalsContact C-N 3.33Å; R70-S72 PolarHBondContact O-N 3.31Å | ||
| 73 | F | 83.1 | Confident | 69.3 | Low | 47 Ų | 47 | 91.8 Ų | 91.8 | 21% | 0.206 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 106.5 | 163.8 | -171.7 | -87.4 | 0 | 0 | 0 | 107.2 | I32 E33 H34 Y41 H44 A45 L48 V75 L86 | I32-F73 HydrophobicContact CG2-CE2 4.46Å; I32-F73 HydrophobicContact CG2-CZ 4.33Å; E33-F73 CarbonylContact O-C 3.54Å; E33-F73 WeakPolarHBondContact O-CA 3.29Å; H34-F73 HydrophobicContact CB-CD2 3.66Å; H34-F73 HydrophobicContact CB-CE2 4.01Å; Y41-F73 HydrophobicContact CD1-CD2 4.41Å; Y41-F73 HydrophobicContact CD2-CB 4.29Å; Y41-F73 HydrophobicContact CE2-CB 4.35Å; Y41-F73 HydrophobicContact CG-CB 4.45Å; Y41-F73 HydrophobicContact CG-CD2 4.13Å; H44-F73 HydrophobicContact CB-CE2 4.17Å; H44-F73 HydrophobicContact CB-CZ 4.26Å; A45-F73 HydrophobicContact CB-CE2 4.16Å; L48-F73 HydrophobicContact CD1-CE1 4.08Å; L48-F73 HydrophobicContact CD1-CZ 3.79Å; F73-V75 HydrophobicContact CE1-CG2 3.97Å; F73-L86 HydrophobicContact CD1-CD1 4.32Å; F73-L86 HydrophobicContact CE1-CD1 4.3Å |
| 74 | E | 80.4 | Confident | 67.2 | Low | 80 Ų | 80 | 99.6 Ų | 99.6 | 37% | 0.374 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 140.9 | -175.5 | -62.8 | -173.5 | -164.3 | 0 | 0 | 109.4 | E33 | E33-E74 HydrophobicContact CB-CB 4.49Å; E33-E74 PolarHBondContact N-O 3.21Å; E33-E74 PolarHBondContact O-N 3.1Å |
| 75 | V | 82.1 | Confident | 64.9 | Low | 52 Ų | 52 | 102.2 Ų | 102.2 | 32% | 0.315 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 109.2 | 173.3 | -177.6 | 0 | 0 | 0 | 0 | 106.4 | V30 V31 I32 L48 F73 | V30-V75 HydrophobicContact CG1-CG1 3.88Å; V31-V75 CarbonylContact O-C 3.57Å; V31-V75 WeakPolarHBondContact O-CA 3.48Å; I32-V75 HydrophobicContact CG1-CG1 4.47Å; I32-V75 HydrophobicContact CG1-CG2 4.47Å; L48-V75 HydrophobicContact CD1-CG2 4.42Å; F73-V75 HydrophobicContact CE1-CG2 3.97Å |
| 76 | L | 78 | Confident | 63 | Low | 84 Ų | 84 | 105.8 Ų | 105.8 | 44% | 0.44 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 133.8 | 179.2 | -55 | 168.1 | 0 | 0 | 0 | 108 | V30 V31 | V30-L76 CarbonylContact C-O 3.53Å; V30-L76 WeakPolarHBondContact CA-O 3.47Å; V31-L76 HydrophobicContact CB-CB 4.22Å; V31-L76 PolarHBondContact N-O 3.44Å; V31-L76 PolarHBondContact O-N 3.48Å |
| 77 | N | 72.4 | Confident | 61 | Low | 32 Ų | 32 | 109.5 Ų | 109.5 | 17% | 0.171 | 55% | 0.552 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.8 | 121.6 | 169.5 | 178.6 | -1.3 | 0 | 0 | 0 | 106.9 | A28 T29 G79 L80 | A28-N77 WeakPolarHBondContact CB-OD1 3.4Å; T29-N77 WeakPolarHBondContact O-CA 3.48Å; N77-G79 PolarHBondContact O-N 3.07Å; N77-G79 PolarHBondContact OD1-N 3.45Å; N77-L80 PolarHBondContact O-N 3.19Å |
| 78 | S | 61 | Low | 59.7 | Low | 83 Ų | 83 | 106.3 Ų | 106.3 | 58% | 0.58 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 14.4 | -175.1 | 56.9 | 0 | 0 | 0 | 0 | 115.3 | G27 T29 | G27-S78 PolarHBondContact O-OG 3.22Å; T29-S78 PolarHBondContact N-OG 3.29Å; T29-S78 PolarHBondContact O-N 3.01Å; T29-S78 VanDerWaalsContact O-N 3.15Å; T29-S78 PolarHBondContact O-OG 3.15Å |
| 79 | G | 46.9 | Very low | 58.1 | Low | 59 Ų | 59 | 109.8 Ų | 109.8 | 61% | 0.608 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.5 | -8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | N77 | N77-G79 PolarHBondContact O-N 3.07Å; N77-G79 PolarHBondContact OD1-N 3.45Å |
| 80 | L | 47.2 | Very low | 56.8 | Low | 109 Ų | 109 | 106.1 Ų | 106.1 | 57% | 0.571 | 57% | 0.568 | S | S | * | * | trans | -147.5 | 116.5 | -178.5 | -93.2 | 152.5 | 0 | 0 | 0 | 109.6 | N77 L82 W98 | N77-L80 PolarHBondContact O-N 3.19Å; L80-L82 VanDerWaalsContact C-N 3.3Å; L80-L82 PolarHBondContact O-N 3.13Å; L80-W98 HydrophobicContact CB-CH2 4.25Å; L80-W98 HydrophobicContact CD1-CH2 4.46Å | ||
| 81 | V | 40.4 | Very low | 55.5 | Low | 137 Ų | 137 | 101.4 Ų | 101.4 | 83% | 0.83 | 56% | 0.56 | S | S | * | * | trans | -68 | 90.8 | 174.2 | 179.8 | 0 | 0 | 0 | 0 | 108.5 | R83 | V81-R83 VanDerWaalsContact C-N 3.25Å; V81-R83 PolarHBondContact O-N 3.36Å | ||
| 82 | L | 42.8 | Very low | 54 | Low | 69 Ų | 69 | 105.6 Ų | 105.6 | 36% | 0.361 | 57% | 0.566 | S | S | . | * | trans | -68.7 | 84.1 | 170.4 | -108.3 | 172.7 | 0 | 0 | 0 | 109.8 | L80 R84 W98 | L80-L82 VanDerWaalsContact C-N 3.3Å; L80-L82 PolarHBondContact O-N 3.13Å; L82-R84 PolarHBondContact O-N 3.05Å; L82-W98 HydrophobicContact CB-CZ2 4.41Å; L82-W98 HydrophobicContact CD1-CD2 4.18Å; L82-W98 HydrophobicContact CD1-CE3 3.8Å; L82-W98 HydrophobicContact CD1-CH2 3.4Å; L82-W98 HydrophobicContact CD1-CZ2 3.81Å; L82-W98 HydrophobicContact CD1-CZ3 3.39Å; L82-W98 HydrophobicContact CD2-CD2 3.54Å; L82-W98 HydrophobicContact CD2-CE3 4.06Å; L82-W98 HydrophobicContact CD2-CG 4.18Å; L82-W98 HydrophobicContact CD2-CH2 3.72Å; L82-W98 HydrophobicContact CD2-CZ2 3.13Å; L82-W98 HydrophobicContact CD2-CZ3 4.14Å; L82-W98 HydrophobicContact CG-CD2 4.12Å; L82-W98 HydrophobicContact CG-CE3 4.18Å; L82-W98 HydrophobicContact CG-CH2 3.22Å; L82-W98 HydrophobicContact CG-CZ2 3.13Å; L82-W98 HydrophobicContact CG-CZ3 3.76Å | ||
| 83 | R | 35.9 | Very low | 52.3 | Low | 218 Ų | 218 | 110.9 Ų | 110.9 | 82% | 0.823 | 59% | 0.592 | S | S | * | * | trans | -68.7 | 109.8 | 173.3 | -119.9 | -177.3 | 177.6 | 177.8 | 0.1 | 109.5 | V81 | V81-R83 VanDerWaalsContact C-N 3.25Å; V81-R83 PolarHBondContact O-N 3.36Å | ||
| 84 | R | 43.7 | Very low | 50.4 | Low | 227 Ų | 227 | 112.8 Ų | 112.8 | 86% | 0.857 | 61% | 0.611 | S | S | * | * | trans | 63.7 | 98.3 | 134 | -156.8 | 173.9 | -159.9 | 159 | 3 | 116.2 | L82 | L82-R84 PolarHBondContact O-N 3.05Š| ||
| 85 | A | 38.3 | Very low | 48.6 | Very low | 92 Ų | 92 | 112.5 Ų | 112.5 | 76% | 0.76 | 61% | 0.612 | S | S | * | * | trans | -157.2 | 83.9 | 153.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 86 | L | 40.4 | Very low | 46.7 | Very low | 146 Ų | 146 | 115 Ų | 115 | 76% | 0.764 | 62% | 0.618 | S | S | * | * | trans | -138.4 | 72.4 | 141.6 | -77.8 | -179 | 0 | 0 | 0 | 107.8 | F73 | F73-L86 HydrophobicContact CD1-CD1 4.32Å; F73-L86 HydrophobicContact CE1-CD1 4.3Å | ||
| 87 | H | 38.5 | Very low | 44.8 | Very low | 156 Ų | 156 | 121.2 Ų | 121.2 | 72% | 0.722 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -124.8 | 132.1 | 142.6 | -160.2 | -108.1 | 0 | 0 | 0 | 108.2 | ||
| 88 | E | 45.3 | Very low | 43.2 | Very low | 142 Ų | 142 | 125.2 Ų | 125.2 | 66% | 0.664 | 65% | 0.649 | S | S | * | * | S | Bend | trans | 58.8 | 110.1 | 176.8 | -118.4 | 88.9 | -126.9 | 0 | 0 | 117.6 | S90 | E88-S90 PolarHBondContact O-N 2.94Š|
| 89 | S | 44.3 | Very low | 42.3 | Very low | 99 Ų | 99 | 125.5 Ų | 125.5 | 69% | 0.692 | 64% | 0.643 | S | S | * | * | trans | 31.5 | 95.7 | 134.8 | 58.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 90 | S | 45.4 | Very low | 42.1 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 76% | 0.762 | 65% | 0.653 | S | S | * | * | trans | -177.9 | 121.5 | 143.4 | -87 | 0 | 0 | 0 | 0 | 112.2 | E88 | E88-S90 PolarHBondContact O-N 2.94Š| ||
| 91 | N | 45.4 | Very low | 41.5 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 68% | 0.684 | 68% | 0.681 | S | S | * | * | trans | 36.1 | 121.8 | 145.4 | -85.3 | -16.6 | 0 | 0 | 0 | 119.7 | L93 S94 | N91-L93 HydrophobicContact CB-CB 4.48Å; N91-L93 PolarHBondContact O-N 3.1Å; N91-S94 PolarHBondContact O-N 3Å; N91-S94 VanDerWaalsContact O-N 3.1Å | ||
| 92 | F | 43.2 | Very low | 41.6 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 58% | 0.583 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -35.4 | -18.6 | 158.8 | -157.5 | -104.5 | 0 | 0 | 0 | 116.3 | A51 S94 | A51-F92 HydrophobicContact CB-CE2 4.04Å; A51-F92 HydrophobicContact CB-CZ 3.98Å; F92-S94 VanDerWaalsContact C-N 3.35Å; F92-S94 PolarHBondContact O-N 3.47Å |
| 93 | L | 43 | Very low | 41.5 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 67% | 0.665 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -69.1 | -21.4 | 175.9 | -88.3 | 82.3 | 0 | 0 | 0 | 114.8 | N91 | N91-L93 HydrophobicContact CB-CB 4.48Å; N91-L93 PolarHBondContact O-N 3.1Å |
| 94 | S | 44.4 | Very low | 41.8 | Very low | 87 Ų | 87 | 135.9 Ų | 135.9 | 61% | 0.608 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -73.6 | -28.7 | -179 | -100.8 | 0 | 0 | 0 | 0 | 113.6 | N91 F92 K96 R97 W98 | N91-S94 PolarHBondContact O-N 3Å; N91-S94 VanDerWaalsContact O-N 3.1Å; F92-S94 VanDerWaalsContact C-N 3.35Å; F92-S94 PolarHBondContact O-N 3.47Å; S94-K96 VanDerWaalsContact C-N 3.31Å; S94-K96 PolarHBondContact O-N 3.44Å; S94-R97 PolarHBondContact O-N 3.14Å; S94-W98 PolarHBondContact O-N 3.23Å |
| 95 | L | 42.9 | Very low | 41.7 | Very low | 73 Ų | 73 | 130.6 Ų | 130.6 | 38% | 0.382 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -61.9 | -40.2 | 175.9 | -105.2 | 103.1 | 0 | 0 | 0 | 111.6 | L48 R97 W98 L99 | L48-L95 HydrophobicContact CD2-CD1 3.86Å; L48-L95 HydrophobicContact CD2-CD2 4.09Å; L95-R97 PolarHBondContact O-N 3.43Å; L95-W98 PolarHBondContact O-N 3.06Å; L95-W98 VanDerWaalsContact O-N 3.12Å; L95-L99 PolarHBondContact O-N 3.48Å |
| 96 | K | 40.3 | Very low | 41.9 | Very low | 105 Ų | 105 | 133 Ų | 133 | 46% | 0.457 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -64.9 | -25.4 | 178.8 | -68.4 | -177.1 | 172.6 | -175.9 | 0 | 113.5 | E55 S94 | E55-K96 WeakPolarHBondContact OE1-CE 3.49Å; E55-K96 IonicContact OE1-NZ 3.91Å; S94-K96 VanDerWaalsContact C-N 3.31Å; S94-K96 PolarHBondContact O-N 3.44Å |
| 97 | R | 39.4 | Very low | 42 | Very low | 214 Ų | 214 | 132.1 Ų | 132.1 | 81% | 0.808 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -81.4 | -22.7 | 177.5 | -166.7 | 123.2 | 165.8 | -170.9 | -5.7 | 112.2 | S94 L95 | S94-R97 PolarHBondContact O-N 3.14Å; L95-R97 PolarHBondContact O-N 3.43Å |
| 98 | W | 38.1 | Very low | 42.3 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 44% | 0.443 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -81.8 | -30.1 | -179.3 | -160.2 | 78.1 | 0 | 0 | 0 | 112.9 | L80 L82 S94 L95 K100 | L80-W98 HydrophobicContact CB-CH2 4.25Å; L80-W98 HydrophobicContact CD1-CH2 4.46Å; L82-W98 HydrophobicContact CB-CZ2 4.41Å; L82-W98 HydrophobicContact CD1-CD2 4.18Å; L82-W98 HydrophobicContact CD1-CE3 3.8Å; L82-W98 HydrophobicContact CD1-CH2 3.4Å; L82-W98 HydrophobicContact CD1-CZ2 3.81Å; L82-W98 HydrophobicContact CD1-CZ3 3.39Å; L82-W98 HydrophobicContact CD2-CD2 3.54Å; L82-W98 HydrophobicContact CD2-CE3 4.06Å; L82-W98 HydrophobicContact CD2-CG 4.18Å; L82-W98 HydrophobicContact CD2-CH2 3.72Å; L82-W98 HydrophobicContact CD2-CZ2 3.13Å; L82-W98 HydrophobicContact CD2-CZ3 4.14Å; L82-W98 HydrophobicContact CG-CD2 4.12Å; L82-W98 HydrophobicContact CG-CE3 4.18Å; L82-W98 HydrophobicContact CG-CH2 3.22Å; L82-W98 HydrophobicContact CG-CZ2 3.13Å; L82-W98 HydrophobicContact CG-CZ3 3.76Å; S94-W98 PolarHBondContact O-N 3.23Å; L95-W98 PolarHBondContact O-N 3.06Å; L95-W98 VanDerWaalsContact O-N 3.12Å; W98-K100 VanDerWaalsContact C-N 3.34Å; W98-K100 PolarHBondContact O-N 2.76Å |
| 99 | L | 42.7 | Very low | 42.1 | Very low | 88 Ų | 88 | 129.5 Ų | 129.5 | 46% | 0.461 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83 | -5.4 | -179.5 | -146.9 | 78.7 | 0 | 0 | 0 | 114.5 | E55 L95 | E55-L99 HydrophobicContact CB-CD2 4.2Å; L95-L99 PolarHBondContact O-N 3.48Å |
| 100 | K | 42.1 | Very low | 41.9 | Very low | 186 Ų | 186 | 132.1 Ų | 132.1 | 81% | 0.809 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.4 | 13.6 | -171.3 | -104.3 | 172.6 | 179.3 | 173.9 | 0 | 114.5 | W98 | W98-K100 VanDerWaalsContact C-N 3.34Å; W98-K100 PolarHBondContact O-N 2.76Å |
| 101 | N | 35.5 | Very low | 41.5 | Very low | 218 Ų | 218 | 134.2 Ų | 134.2 | 100% | 1.166 | 64% | 0.642 | S | S | * | * | trans | -126.4 | 0 | -179 | -126.4 | 36.8 | 0 | 0 | 0 | 111.3 |
Retrieved 101 of 101 residues in 109 ms
(Link to these results)